#DEFINITION	Reference Metabolome for Cheniella glauca
#IDENTTFIER	RefMeta-Cheniella glauca.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Cheniella glauca
#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 Cheniella glauca 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	999.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58820	0.4
71.01248	10.3
72.99168	1.0
73.02820	1.4
75.00753	0.2
78.95771	0.1
79.95606	0.2
81.03334	0.4
83.01253	1.0
83.04868	0.6
84.02012	0.2
85.02817	2.6
87.00748	2.2
89.02309	8.2
91.03868	0.2
93.03340	0.2
93.06966	0.2
94.92376	0.2
95.01257	0.6
95.04894	0.3
96.95886	2.3
96.96841	0.3
97.02818	2.8
97.06461	0.6
99.00768	0.8
101.02312	7.3
102.02709	0.2
109.02810	0.2
109.06468	0.6
111.00758	0.2
111.04364	0.2
111.08030	9.3
112.08349	0.3
113.02327	4.4
115.03910	0.1
119.03375	1.8
119.08521	0.2
121.02766	0.1
123.04364	0.1
123.08011	0.2
125.02328	3.2
125.05994	0.2
125.09593	0.3
127.07537	0.8
129.01848	0.1
131.03384	0.4
133.04939	0.1
137.09608	0.6
139.03906	0.3
139.11166	0.2
141.01865	0.2
141.09111	0.4
143.03392	1.2
145.04980	0.1
149.02399	0.1
149.04376	0.2
151.11176	0.7
153.09100	0.4
153.12758	1.1
155.10667	0.2
161.04430	1.9
163.11151	0.6
165.12732	1.1
167.03416	0.2
167.10699	0.3
167.14336	0.3
169.12239	4.4
171.10175	1.2
177.12782	0.1
179.05522	2.7
179.10681	0.5
179.14340	0.3
181.12242	1.7
183.13820	1.0
185.04677	0.2
185.11757	0.3
188.04897	0.1
191.14337	0.2
193.12311	0.8
193.15950	0.3
195.13904	0.2
197.11748	47.8
198.12065	1.9
199.13319	2.5
209.11774	0.7
211.13322	7.0
212.13638	0.3
217.07109	0.2
221.06592	1.3
221.11757	0.2
223.13377	0.3
227.12813	1.8
229.19514	0.2
235.08185	2.5
239.12744	0.1
245.19136	0.2
247.17029	0.2
247.20612	1.1
253.09261	0.6
263.07684	0.3
263.20111	2.8
264.20419	0.2
265.18079	1.1
273.18555	1.2
287.07709	0.8
289.17947	0.2
291.19629	19.0
292.19998	1.4
293.21100	0.4
305.08728	0.7
307.18936	0.2
309.20673	100.0
310.21027	6.8
323.09772	0.6
333.20795	0.6
351.21661	0.2
379.12357	0.9
397.13452	20.2
398.13699	1.2
415.14542	13.5
416.14624	0.7
527.29047	0.2
577.25073	0.2
595.25977	0.4
601.41089	1.6
602.41595	0.3
658.96704	0.1
689.33868	2.0
690.34027	0.2
707.34833	4.1
708.34637	0.7
809.05341	0.1
999.54932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	53.8
72.99198	3.7
73.02818	6.7
79.95576	2.1
81.03343	4.5
83.01241	5.6
83.04897	4.7
85.02817	13.8
87.00767	9.4
89.02316	41.1
95.01262	5.1
95.04877	2.9
96.95891	46.6
97.02826	11.9
97.06468	11.2
99.00737	3.8
101.01686	3.4
101.02319	42.2
111.04382	2.7
111.08057	17.4
113.02330	21.8
113.09570	2.0
116.92708	2.7
119.03369	8.8
123.04388	4.4
123.07990	4.1
125.02327	12.3
125.09580	8.6
137.09599	3.7
139.04010	2.0
139.11110	2.4
141.01819	2.1
141.32516	2.0
143.03392	6.7
158.70085	2.1
161.04434	9.4
163.11194	7.6
165.12721	6.1
169.12251	2.9
171.10167	6.6
177.12775	2.0
179.05542	10.0
179.10611	3.2
179.14351	2.7
181.12236	5.7
185.11708	11.0
191.14281	5.5
195.10172	2.0
195.13884	13.2
197.11780	34.1
198.12065	9.3
199.13399	2.7
202.44994	2.1
205.12335	2.2
207.10120	4.0
209.11778	23.9
210.11993	2.3
211.13318	12.3
221.06523	5.6
223.13370	10.2
225.11188	3.8
227.12799	10.1
228.13432	2.7
235.08101	9.3
245.19093	15.8
247.20845	2.4
253.09157	3.1
263.20230	8.7
273.18515	2.0
275.20126	6.0
277.21655	7.5
289.18103	54.6
290.18481	6.1
291.16309	3.1
291.19635	76.4
292.20084	11.3
293.21194	100.0
294.21515	8.0
295.22748	2.8
305.08618	4.2
307.19174	59.2
308.19333	7.2
309.20691	57.1
310.21130	13.7
311.22211	13.7
341.19589	4.1
374.66022	2.1
379.12891	2.0
397.13467	54.8
398.13943	7.4
415.14539	31.0
416.15131	3.2
454.17856	1.9
528.45599	2.1
562.00885	2.2
607.25690	3.3
707.33984	2.4
901.46881	4.0
905.45972	2.4
999.49957	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	999.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
69.87036	1.0
71.01254	12.1
72.99168	0.9
73.02824	1.9
75.00745	0.4
78.95768	0.5
79.95608	0.3
80.02525	0.3
81.03333	0.7
83.01251	1.2
83.04893	0.5
84.02062	0.2
85.02818	3.0
87.00757	2.7
89.02317	8.8
93.03318	0.3
95.01254	0.8
95.04926	0.4
96.95893	4.6
96.96854	0.3
97.02827	3.4
97.06459	0.5
98.36951	0.2
99.00775	0.6
99.04403	0.2
101.02322	8.9
105.64220	0.2
109.02814	0.3
109.06474	0.6
111.00774	0.3
111.04385	0.4
111.08038	9.4
113.02335	4.3
115.03890	0.2
119.03371	2.5
119.08504	0.2
121.02842	0.3
123.04401	0.3
123.08007	0.3
125.02337	3.4
125.09631	0.5
127.07526	0.7
127.11172	0.2
131.03391	0.6
133.05028	0.2
135.08087	0.2
137.09622	0.8
139.03880	0.3
141.01778	0.3
141.09103	0.2
143.03410	1.9
149.04404	0.2
151.11183	0.8
153.09131	0.5
153.12761	1.0
155.10704	0.3
161.04459	1.7
161.09567	0.2
163.11246	0.9
165.09056	0.2
165.12782	1.9
167.03432	0.2
167.10660	0.5
167.14365	0.2
169.12260	4.1
171.10196	1.8
177.12773	0.3
179.05527	3.1
179.10712	0.3
179.14328	0.3
181.12231	1.2
183.13829	0.8
185.04492	0.2
185.11758	0.2
191.14343	0.4
193.12279	0.8
193.15863	0.5
194.37965	0.2
195.13847	0.3
197.11761	45.9
198.12122	1.7
199.13371	2.0
207.13914	0.2
209.11774	1.0
211.13339	7.0
212.13658	0.3
217.07068	0.4
221.06638	1.3
223.13382	0.5
225.11397	0.2
227.12840	2.0
235.08183	2.9
235.13441	0.2
239.12868	0.2
247.20674	1.8
249.15002	0.2
253.09241	0.9
263.07693	0.3
263.20160	2.4
264.20132	0.3
265.18036	1.7
273.18561	1.6
277.21729	0.2
287.07690	0.7
289.18060	0.2
291.19650	25.3
292.20013	1.6
293.21072	0.9
293.32501	0.2
294.93286	0.2
302.02271	0.2
305.08856	1.2
307.02747	0.2
307.19016	0.2
309.20694	100.0
310.21017	5.9
323.09695	0.9
325.20129	0.6
327.21738	0.5
333.20642	0.5
351.21756	0.4
361.85446	0.2
379.12460	1.7
397.13486	22.4
398.13721	1.1
415.14557	13.6
416.14847	0.7
595.26013	0.6
601.41138	1.9
602.41351	0.3
689.33673	2.0
690.34070	0.4
707.34937	4.3
708.00775	0.2
708.34735	0.3
999.54736	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	3.1
71.01250	34.1
71.04878	0.9
71.56368	0.9
72.99167	2.9
73.02814	4.1
75.00752	0.9
78.95750	0.7
79.95577	0.8
80.02556	0.7
81.03331	2.7
83.01250	4.8
83.04913	2.9
85.02823	9.2
87.00739	8.6
89.02315	25.1
93.03323	1.8
95.01235	2.9
95.04885	3.0
96.95878	5.2
97.02829	7.9
97.06471	4.8
99.00756	3.4
101.02318	24.5
101.02997	0.9
103.00296	0.5
106.04092	1.7
107.04888	1.9
108.87685	0.6
109.02824	0.8
109.06472	3.9
111.00742	0.8
111.04444	1.2
111.08039	11.2
113.02332	13.3
115.03922	0.6
116.92743	1.0
119.03384	7.7
119.04889	0.6
121.02840	1.1
121.06460	1.0
123.04395	3.4
123.08043	2.3
125.02337	9.5
125.09623	5.5
131.03409	1.4
135.04381	0.6
135.08102	1.4
137.09616	3.2
139.03883	0.6
141.01836	1.7
141.09224	0.8
141.12769	0.9
142.02557	0.8
143.03394	4.4
149.04437	1.0
149.06009	0.8
149.09654	0.6
151.07570	0.8
151.11189	1.7
153.12737	1.6
158.93791	0.6
161.04456	6.0
161.09598	1.6
163.11200	6.9
165.09090	0.8
165.12791	4.0
167.10739	1.2
169.12267	3.9
171.10121	3.3
175.11182	1.3
177.12746	1.7
179.05516	8.2
179.10664	2.1
179.14247	0.7
181.12262	2.8
182.33211	0.6
183.13860	1.6
185.11761	6.5
189.12680	1.4
191.14333	7.8
193.12270	1.6
195.13837	8.1
197.11757	51.5
198.12080	2.1
199.13324	2.8
203.10742	2.0
203.14369	1.4
205.12173	0.6
207.10187	4.0
207.13867	1.0
209.11760	15.5
209.15219	1.0
211.13326	10.6
217.07036	1.3
217.15839	1.0
221.06551	3.3
221.11830	2.8
221.15358	0.9
223.13300	4.0
225.11252	3.1
227.12866	4.1
227.17918	0.8
229.12325	1.0
231.13966	0.7
235.08186	8.1
235.13364	3.5
237.11317	3.2
237.14890	2.4
243.17601	1.4
245.06592	0.7
245.19083	13.4
247.13390	5.0
247.17049	0.9
247.20688	2.3
253.09219	1.7
253.14378	0.7
261.18625	2.8
263.07681	1.2
263.20105	6.6
265.14474	3.4
265.18073	1.4
271.16977	1.4
273.18546	1.3
275.20123	1.4
279.19632	1.2
281.21198	0.9
287.07736	1.6
287.16565	1.7
289.18082	60.5
290.18402	2.6
291.19662	27.5
292.19922	0.7
293.21216	35.7
294.21634	2.7
294.81830	0.6
305.08688	2.5
305.17572	14.7
305.20865	1.1
306.17767	0.7
307.19138	61.6
308.19501	2.6
309.20697	100.0
310.21051	5.3
323.09860	1.8
323.18546	0.9
325.20197	1.3
333.20459	0.7
366.43503	0.6
379.12411	3.0
397.13470	52.3
398.13748	2.1
415.14581	24.6
416.14972	0.6
420.33328	0.7
435.24188	0.7
607.26233	1.3
633.27673	0.9
645.28046	1.7
663.28119	0.8
685.30609	0.8
687.32404	3.0
689.33923	1.0
703.32727	1.5
705.33130	2.9
707.35437	1.2
895.46552	1.0
899.46045	1.2
909.48938	2.0
939.49316	6.0
940.49530	0.8
961.52173	0.8
979.52423	2.9
980.53174	0.8
997.54004	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	997.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32929	0.1
74.17009	0.1
80.06721	0.2
83.01241	0.4
107.01250	1.4
108.02014	0.9
109.02837	0.6
121.02820	0.7
135.00745	0.5
135.96248	0.2
145.11256	0.2
148.01515	0.8
151.00261	4.4
163.00269	1.4
163.03932	0.2
164.01012	0.4
165.01875	0.3
169.01273	0.3
178.99783	2.3
183.04387	0.3
187.03888	0.2
192.00549	0.3
199.03801	0.2
206.02422	0.2
211.04028	0.4
215.03450	0.4
216.04289	0.3
226.02678	1.1
227.03490	2.0
229.01259	0.2
229.04971	0.3
229.53979	0.2
236.31900	0.2
243.02940	6.4
244.03450	0.4
245.04468	0.5
254.02185	1.4
255.02945	19.5
256.03357	0.9
271.02451	38.9
272.02914	3.2
273.03967	0.4
283.02386	1.6
284.02927	0.3
299.02036	1.4
299.39865	0.2
300.02710	87.7
301.03409	19.2
302.03650	0.8
385.58041	0.2
432.06540	0.2
433.07690	100.0
434.08029	7.0
563.13861	0.8
839.45898	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	2.7
71.01251	21.6
72.99181	2.2
73.02816	3.5
75.00737	0.6
77.01214	0.4
80.02535	1.1
81.03322	2.8
83.01248	4.0
83.04901	2.0
85.02825	5.5
87.00747	4.6
89.02314	16.2
95.01251	1.8
95.04901	1.6
96.95885	5.0
97.02840	5.3
97.06473	4.4
99.00760	1.2
99.04391	0.7
101.02323	15.6
106.04121	0.5
107.04887	0.8
109.06474	1.7
110.03559	0.5
111.00762	1.1
111.08038	10.8
113.02318	9.2
113.53618	0.4
114.55582	0.4
116.92745	0.6
119.03387	5.7
119.08578	0.6
121.02847	0.7
121.06461	1.6
123.04395	1.8
123.08060	1.4
125.02337	5.7
125.09638	4.5
127.07528	1.5
131.03378	1.1
135.08064	1.2
137.04799	0.5
137.05875	0.5
137.09633	2.8
141.01793	0.7
141.12720	0.9
142.02698	0.7
143.03433	2.4
149.04448	0.9
149.05946	0.6
149.09625	0.7
151.11166	2.2
153.09082	1.0
153.12756	1.0
161.04437	4.2
161.09602	0.6
163.11224	5.0
165.12813	2.7
167.10666	0.9
169.12271	4.7
171.10152	0.9
177.12740	1.0
179.05518	5.9
179.10738	1.2
181.12265	4.1
183.13861	2.1
185.11771	4.6
191.10728	1.2
191.14310	5.8
193.12393	1.0
197.11761	57.8
198.12102	1.7
199.13341	2.7
207.10211	2.6
209.11768	13.5
211.13338	10.8
217.15790	1.0
221.06618	2.4
225.11269	2.5
227.12787	3.5
229.54727	0.6
235.08177	5.1
237.11263	3.1
245.19060	12.0
253.09221	1.5
263.20132	7.4
264.20557	0.6
265.18057	1.8
271.16974	1.5
273.18536	0.9
281.21249	0.9
287.07742	1.3
289.18088	43.3
290.18536	2.5
291.19675	17.3
305.08817	1.7
307.19138	50.8
308.19501	2.6
309.20700	100.0
310.21048	5.1
323.09702	0.9
325.20142	0.7
331.19125	0.5
379.12457	1.7
397.13464	32.5
398.13837	1.7
415.14569	19.0
416.15164	0.7
498.98880	0.5
589.24420	0.8
599.39502	1.0
607.26227	3.0
687.32617	2.1
689.33917	1.2
705.33130	3.2
707.34900	2.3
778.78448	0.5
782.71600	0.5
866.37891	0.5
899.46118	2.4
979.51752	0.8
997.53424	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	997.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	1.9
71.01249	19.7
71.04894	1.5
72.99193	1.9
73.02821	2.6
74.77528	0.5
78.95795	1.4
79.95601	1.0
80.02557	0.9
81.03344	2.5
82.95278	1.3
83.01271	2.6
83.04917	1.6
85.02821	4.0
87.00758	4.5
88.34486	0.5
89.02313	14.0
89.02824	0.9
93.03329	0.5
95.01286	1.6
95.04909	1.4
96.95884	23.9
97.02827	4.6
97.06500	0.9
98.03634	1.1
99.00770	0.9
101.02321	13.6
106.04172	1.1
109.02853	0.6
109.06470	9.7
110.02994	0.6
111.04398	3.1
111.08030	8.2
113.02335	8.2
119.03384	4.5
119.04897	0.7
121.02839	1.7
121.06499	0.6
123.08044	1.7
125.02338	5.9
125.09634	0.7
127.07574	1.6
131.03438	1.1
135.08028	0.9
137.09631	1.0
139.42328	0.5
141.01799	0.8
143.03406	2.7
143.10637	0.6
145.06499	1.3
149.09612	1.4
151.11182	1.3
153.09047	0.9
153.12770	0.6
161.04480	3.7
163.11256	1.4
165.12807	1.0
167.10719	2.2
169.12274	3.3
171.10201	3.0
174.29596	0.5
179.05528	5.3
179.10660	1.5
181.12263	1.9
183.13916	1.0
185.11717	0.9
191.14352	0.8
193.12230	1.0
195.13853	2.0
197.11755	38.6
198.12070	1.3
199.13327	2.3
209.11711	1.8
211.13347	6.3
217.07079	0.7
221.06586	2.2
223.13293	1.1
227.12885	1.8
235.08157	4.4
235.13414	1.4
243.17662	0.5
245.19046	3.5
247.20712	0.8
251.16530	0.6
253.09261	1.3
263.07651	0.7
263.20102	1.4
265.18057	1.0
271.16989	1.3
273.14780	1.0
273.18445	0.9
287.07785	1.3
287.16595	1.8
289.18079	100.0
290.18423	4.1
291.19641	23.3
292.20160	1.3
293.21191	1.9
300.35175	0.6
305.08685	1.5
305.17453	0.9
307.19092	6.4
309.20694	81.9
310.20938	3.7
311.22369	1.1
323.09937	1.3
333.20724	0.6
352.25894	0.6
379.12442	3.1
397.13483	41.0
398.13727	1.8
415.14539	16.4
444.81729	0.6
581.38379	1.0
669.31134	0.8
687.32385	3.6
689.33881	1.6
707.34821	2.0
979.51294	0.7
997.51257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	2.9
70.85371	1.5
71.01250	7.9
72.99171	3.9
75.00734	4.9
77.03848	1.2
80.20244	1.5
81.03332	7.9
83.01252	16.5
85.02869	1.5
88.98638	1.9
89.02311	3.1
92.92661	4.2
93.03317	6.2
95.01267	2.0
95.04881	5.0
96.95872	8.0
97.02829	8.5
97.31664	1.4
99.04381	5.0
101.02319	5.6
107.04889	2.2
108.02042	2.1
109.02830	13.5
111.00763	3.3
111.04441	1.5
113.02312	1.7
116.52391	1.3
121.02824	9.7
122.03619	2.6
123.04382	4.4
124.01498	2.5
124.98129	1.5
125.02329	99.8
126.02661	3.0
130.56181	1.4
133.02835	3.4
133.74715	1.6
135.04405	7.4
136.01564	2.1
137.02335	83.8
138.02658	1.6
139.03894	2.6
146.03635	27.0
147.04393	2.9
149.02339	2.6
150.03156	1.5
151.03870	7.0
159.04436	13.3
160.05231	3.1
161.02324	2.8
161.05952	3.0
164.01053	20.0
165.01834	49.9
166.02238	1.6
167.03397	31.8
172.05170	7.7
173.05989	5.0
174.01691	2.6
174.03101	15.5
174.06772	2.6
175.03912	2.8
176.04660	4.0
177.01820	6.3
179.03427	19.6
181.12135	1.3
185.06023	2.5
186.06804	2.8
187.03883	5.6
188.04669	9.7
189.05373	3.0
197.05949	3.0
200.04666	8.6
201.05450	5.7
204.04231	6.9
209.06021	2.1
209.11696	3.8
210.06833	3.2
211.03960	2.9
211.13423	6.9
212.04704	7.1
213.05438	2.0
215.06956	1.5
224.04678	3.2
225.05527	6.9
225.12766	1.6
226.06288	4.6
228.07932	1.7
229.63718	1.8
235.08095	1.5
237.05684	2.3
243.13913	2.4
244.07373	3.2
251.07079	4.0
252.07777	4.7
253.08995	1.8
255.13826	3.5
265.08395	2.2
268.07349	2.6
269.11798	6.5
269.14713	1.9
270.08951	5.3
270.12515	1.5
271.13373	35.4
272.13647	3.0
277.04764	1.6
277.21713	20.9
283.13416	5.8
285.14951	5.2
287.12982	1.6
288.06400	2.6
289.14438	10.5
289.17813	3.5
293.21201	7.2
294.08945	7.1
295.13284	4.0
297.14932	5.7
299.12903	9.3
301.14270	3.8
307.19272	8.0
309.15143	2.1
313.14481	23.8
315.16010	4.0
317.13840	5.0
325.14453	15.0
331.15466	4.5
335.16461	4.8
337.14407	9.3
343.15567	7.0
353.17618	3.4
355.15594	2.4
369.16779	1.8
377.17520	5.7
379.15683	2.7
393.17062	2.3
395.18527	5.5
397.13586	2.7
401.17642	2.4
419.18613	20.3
420.18872	1.7
437.19824	9.9
445.16519	3.7
463.17700	7.9
481.18332	2.3
543.25323	1.6
567.24200	5.7
579.24860	3.1
591.24585	3.0
597.26111	2.1
655.27588	1.8
673.28906	6.8
717.27191	5.7
735.28571	1.9
785.44836	1.6
813.43823	1.7
815.45374	1.9
827.45660	21.2
828.46252	3.3
839.45886	17.7
840.46021	2.5
851.46033	11.0
852.47778	2.8
857.46857	13.4
869.46680	2.1
893.46979	2.3
909.49756	1.5
933.50098	20.5
934.50708	6.7
951.49567	4.2
959.47253	6.9
977.48840	100.0
978.49512	20.7
995.49933	74.0
996.50146	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03311	1.3
69.88362	0.7
71.01236	3.1
72.99178	18.0
72.99603	1.4
87.00728	2.7
88.04724	0.8
89.02300	2.9
92.92699	1.1
93.03303	1.5
96.95880	3.0
98.20560	2.0
99.00742	1.2
100.98659	1.4
101.02310	1.5
103.00233	7.6
113.02352	1.2
121.02824	2.9
122.03645	3.0
123.04394	1.5
125.02321	1.3
135.04395	1.5
137.02335	1.5
139.03841	0.9
146.03647	5.6
146.99210	2.4
147.04395	3.4
149.02356	1.1
150.03076	1.0
151.56093	0.8
159.04411	3.3
160.05212	2.1
161.02336	0.9
161.05992	2.0
162.03036	1.4
163.03874	2.0
165.01901	1.5
165.05505	1.5
172.05208	2.9
173.06020	1.4
174.03098	3.2
174.06830	0.9
175.03896	4.2
175.07513	1.0
176.04723	3.9
178.02580	1.5
179.03394	1.1
187.03957	3.0
188.04709	5.6
189.05376	2.6
190.06305	9.2
200.04762	4.9
201.05518	2.2
209.11743	4.1
211.13315	7.8
212.04703	1.5
216.04225	1.0
218.84933	0.9
223.13327	1.1
245.11748	1.1
259.13373	2.0
269.11859	1.3
270.03854	1.9
271.13388	10.7
275.20013	1.2
283.13379	8.6
285.14972	1.8
287.13068	1.9
287.16452	1.4
289.14410	3.3
289.17798	1.5
293.21274	3.5
297.14935	2.7
299.13037	4.1
301.14417	7.5
309.20789	1.5
311.12854	1.6
311.16238	1.1
313.14505	4.8
315.15970	23.2
316.16290	1.8
317.13803	1.2
319.14960	1.0
325.14413	6.3
327.15909	1.9
329.13882	3.5
331.15536	1.1
333.17059	5.8
337.14383	2.3
341.14001	1.0
343.15457	5.7
355.15543	3.4
357.16870	1.7
361.16699	1.3
373.16376	2.3
397.13409	2.3
431.24780	0.8
540.55072	0.9
551.10248	0.8
562.91022	1.0
629.24445	0.8
813.44751	1.3
831.44635	1.3
899.43964	0.9
903.47595	7.7
904.47906	1.2
917.45648	2.5
919.47479	1.7
959.71466	1.0
975.46234	3.1
993.46912	100.0
994.47363	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01262	17.1
71.80463	2.5
73.02828	3.0
74.03064	2.7
78.95763	3.1
83.04887	3.8
85.02868	4.8
87.00750	2.7
88.99329	2.5
89.02319	13.1
94.63940	2.9
96.95898	30.3
96.96823	4.3
99.00797	3.0
101.02333	11.5
107.78373	2.8
109.02732	3.3
111.08031	4.5
113.02312	5.1
113.75089	2.9
116.92751	11.7
116.97148	3.0
119.03397	2.9
125.02345	5.9
128.03391	4.0
137.02367	3.7
161.04510	3.7
163.11252	4.2
165.12834	4.6
174.11855	3.1
179.05513	5.9
197.11818	22.0
209.11761	70.1
211.13385	6.2
227.12869	16.6
229.81209	5.0
235.08179	3.2
243.81815	3.3
287.07770	2.9
291.19702	14.8
309.20706	100.0
310.20926	6.4
341.62347	2.8
379.12512	4.2
397.13452	54.9
415.14618	19.7
607.25854	13.0
689.33948	13.0
707.34991	14.5
899.46234	5.3
917.46899	5.3
985.47815	56.8
986.47595	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	985.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	2.2
71.01250	13.4
71.11398	0.3
72.99174	1.3
73.02818	1.9
75.00761	0.4
76.17548	0.3
78.95775	0.6
79.95599	0.5
81.03317	1.0
83.01255	1.4
83.04892	0.7
84.02038	0.3
85.02819	9.0
87.00747	2.9
89.02312	10.9
95.01247	0.9
95.04895	0.4
96.95889	7.6
96.96834	0.4
97.02828	3.2
97.06467	2.5
98.20552	0.7
99.00754	0.8
100.69108	0.3
101.02317	9.4
109.02819	0.3
111.00726	0.5
111.04417	0.4
111.08025	0.6
113.02320	5.2
116.92713	0.6
119.03392	2.7
119.08582	0.4
119.44026	0.3
121.02856	1.7
123.00761	0.3
124.01504	0.3
125.02338	4.0
125.09574	0.7
127.11175	1.3
131.03384	0.7
131.89384	0.3
137.09619	2.3
141.01706	0.5
143.03374	1.5
154.07808	0.3
155.10616	1.1
161.04448	3.1
163.11174	0.3
165.01830	1.1
165.12778	1.0
166.64508	0.3
167.10684	0.3
167.14316	0.5
171.10173	27.8
172.10516	0.8
177.12758	0.8
179.05515	4.9
181.12175	0.6
183.13867	1.8
185.11755	1.2
191.14357	0.3
192.23111	0.3
193.12276	1.0
195.13852	0.7
197.11787	1.0
201.11278	1.3
209.11749	2.1
211.13324	13.2
212.13541	0.4
221.06621	1.9
221.11812	2.1
223.13321	0.5
227.12843	0.7
229.14407	9.2
229.75690	0.4
230.14717	0.6
235.08142	3.4
239.12761	1.7
247.20590	0.6
253.09268	0.9
257.13821	0.4
275.20126	0.6
277.21704	19.8
278.22076	1.3
287.07700	1.1
291.19662	5.4
293.21240	7.0
295.22723	1.6
305.08896	1.5
309.20706	12.4
309.24258	0.7
310.21082	1.0
311.22235	5.7
313.13232	0.3
323.10010	0.7
327.21738	100.0
328.22092	7.4
351.21716	0.5
379.12598	0.8
397.13495	24.5
398.13840	1.9
415.14584	16.6
416.15009	1.0
535.90942	0.3
545.29462	0.4
587.43042	2.4
588.43268	0.4
646.52386	0.3
675.36163	1.3
707.35004	6.1
708.35223	1.1
725.35962	4.7
726.36279	0.8
779.20703	0.3
985.57611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	3.2
70.73439	1.1
71.01248	46.5
71.04870	1.4
72.01593	1.6
72.99178	4.0
73.02812	6.8
78.95794	1.7
80.02559	1.9
81.03310	4.0
83.01252	4.2
83.04887	5.8
84.02043	2.6
85.02834	11.8
87.00739	10.5
89.02312	41.2
95.01254	3.6
95.04893	3.7
95.21895	1.1
96.01586	1.3
96.95882	30.0
97.02821	8.4
97.06467	3.1
99.00748	3.0
99.04388	1.6
101.02314	34.6
109.02819	2.1
109.06503	2.6
111.00816	1.2
111.04360	1.4
111.08019	8.4
112.05143	1.7
113.02317	18.8
115.07519	2.1
116.92716	2.5
119.03369	12.0
123.04376	1.7
125.02323	15.1
125.09594	7.9
127.07551	3.7
127.11140	1.5
131.03366	3.3
135.08025	2.5
137.09647	1.6
139.03876	2.1
141.01825	2.4
143.03386	5.8
149.09593	1.4
150.26653	1.3
153.09113	16.5
155.10707	1.4
161.04445	7.8
163.11191	4.7
165.12740	3.0
167.10715	2.2
171.10162	34.2
172.10623	1.7
177.12749	2.0
178.09860	2.9
179.05540	14.6
179.10582	2.5
181.12233	1.6
183.13712	1.7
185.11765	5.7
191.10725	2.4
195.13858	15.0
196.14384	1.5
197.11812	8.3
209.11748	61.7
210.12129	2.7
211.13416	2.7
221.06583	5.9
223.13319	7.7
224.13831	1.5
227.12811	2.5
235.08263	8.0
236.10640	1.4
238.12061	2.9
245.19138	3.9
247.20558	1.8
253.09250	1.9
256.13193	1.4
263.20084	2.3
275.20050	6.7
277.21701	64.9
278.21985	4.9
279.19751	2.0
281.34808	1.3
287.07693	1.6
289.18042	15.3
291.19638	84.5
292.19955	5.0
293.21213	100.0
294.21664	6.3
295.22964	1.9
297.20609	4.2
305.08759	3.2
307.19116	86.2
308.19516	4.5
309.20670	4.3
323.09927	2.2
325.20172	59.7
326.20493	2.9
379.12247	7.2
390.59061	1.3
397.13455	66.4
398.13641	3.8
399.13306	1.4
415.14548	24.5
416.15146	1.6
511.24921	1.8
551.22998	1.4
553.86353	1.5
569.24274	2.0
574.97809	1.8
675.35541	1.6
687.32269	15.3
689.32849	1.7
705.33295	23.2
706.33655	3.0
723.34448	5.2
896.47479	4.6
925.49518	1.5
965.54791	20.7
966.54712	4.5
983.56677	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	983.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03328	2.1
71.01251	43.4
71.04883	2.7
71.56476	1.5
72.01581	1.0
72.99164	4.1
73.02802	7.3
78.95763	1.6
81.03310	3.6
83.01233	4.4
83.04900	5.0
83.47623	1.3
85.02819	12.8
87.00743	9.6
89.02315	33.0
93.03345	1.6
95.01262	3.4
95.04897	3.2
96.95890	10.2
97.02810	8.3
97.06455	4.0
99.00764	3.3
99.04430	2.7
101.01690	2.1
101.02321	31.7
109.02807	1.3
109.06472	4.6
110.71087	1.3
112.05193	1.4
113.02322	17.5
115.03934	1.5
115.07494	2.0
116.92718	3.1
119.03381	9.8
121.02801	2.0
121.06479	1.6
123.00808	1.2
123.08034	1.5
125.02353	12.3
125.09599	4.5
127.07523	3.1
127.11165	1.4
131.03391	1.6
135.08046	2.8
139.03911	1.5
143.03392	5.3
153.09116	15.1
155.10641	2.6
158.87309	1.1
161.04462	6.4
163.11201	2.6
165.12749	2.5
169.12277	1.6
171.10181	33.1
178.09976	2.3
179.05537	8.3
181.12254	2.2
185.11758	4.6
191.10745	1.6
193.12314	2.2
197.11722	15.6
199.13313	1.3
209.11766	45.8
210.12164	2.1
211.13326	7.1
221.06570	2.9
225.29018	1.2
227.12808	3.9
235.08211	10.0
235.13319	2.8
237.14801	1.5
238.11960	1.8
245.19069	3.0
253.09192	3.1
277.21707	100.0
278.22067	7.6
279.19711	1.6
287.07877	1.5
289.18079	14.0
293.21106	2.2
295.22815	2.3
297.20627	2.8
305.08755	2.5
307.19122	73.9
308.19611	6.2
323.09760	3.2
325.20181	88.9
326.20563	5.5
353.69113	1.3
379.12482	8.0
397.13489	92.1
398.13840	5.0
415.14520	24.9
416.14847	1.2
543.29028	1.2
657.35291	2.3
675.35974	4.0
687.31927	7.6
705.33374	12.8
706.33313	1.5
723.33759	2.7
785.48969	1.2
896.47363	4.4
965.54785	20.5
966.55688	4.8
983.56000	9.6
984.57318	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	983.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99656	0.5
69.03315	1.7
71.01250	16.0
71.04889	0.3
71.63113	0.4
72.99157	1.2
73.02814	2.1
73.77507	0.3
78.95765	0.3
79.95576	0.4
81.03308	0.4
83.01248	1.6
83.04878	0.8
85.02820	3.8
87.00748	4.2
89.02312	12.9
90.02592	0.3
93.03308	0.5
95.01237	1.4
95.04884	0.6
96.95884	7.8
97.02821	2.5
97.06454	0.4
97.42044	0.4
99.00741	1.4
99.93561	0.3
101.02318	10.8
109.06465	0.7
111.04409	0.4
111.08041	10.1
112.08330	0.4
112.58745	0.3
113.02330	6.3
114.02656	0.3
119.03386	3.5
125.02334	4.5
127.07507	1.1
131.03369	0.6
141.09093	0.5
143.03340	2.1
151.11156	0.8
152.15376	0.3
153.09096	0.6
153.12729	1.0
161.04445	2.4
165.12720	0.4
167.10661	0.8
168.76183	0.3
169.12283	3.5
171.10233	2.2
179.05531	5.5
179.10654	0.4
179.14336	0.8
181.12248	1.6
183.13789	1.0
193.12236	0.5
195.13815	7.1
196.14340	0.6
197.11751	43.1
198.12061	1.6
199.13354	2.6
205.12267	0.5
209.11754	0.5
211.11423	0.6
211.13326	7.4
221.06548	2.2
221.11688	0.3
223.13329	5.6
224.13699	0.5
225.14842	0.4
227.12764	1.1
228.13568	0.5
231.21014	0.7
235.08176	4.1
235.10458	0.5
239.12907	0.6
253.09186	1.0
256.13095	1.5
263.07562	0.8
263.20157	3.6
265.18033	1.2
265.21674	0.5
273.18588	0.8
275.20142	5.0
276.20282	0.4
277.21762	0.4
287.07706	1.0
289.17941	0.7
290.18314	0.5
291.19653	13.9
292.19962	0.9
293.21204	100.0
294.21552	7.5
305.08810	1.8
307.19159	0.9
308.19592	0.6
309.20685	95.5
310.20999	6.9
323.09778	1.4
333.20770	0.4
379.08051	0.4
379.12225	1.9
397.13474	36.4
398.13815	2.3
399.14511	0.4
415.14536	24.7
416.14807	1.5
585.41425	3.8
673.34882	0.7
689.33899	2.2
691.35339	3.0
692.35638	0.4
707.34735	3.5
738.06873	0.4
983.55432	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5423
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.4
70.80051	1.5
71.01251	18.1
72.99174	0.8
73.02817	2.3
73.53000	0.6
74.92145	0.5
75.00742	0.7
78.95752	1.0
80.02554	0.8
81.03322	2.0
83.01244	3.0
83.04903	1.1
85.02822	4.8
85.99940	0.7
87.00757	4.9
89.02310	14.3
93.03313	0.7
94.92364	0.6
95.01262	1.4
95.04911	1.1
96.95883	11.5
97.02821	4.7
97.06448	2.0
99.00758	2.1
101.02319	11.9
109.02826	1.1
109.06461	1.5
111.08004	0.7
112.30336	0.6
113.02329	7.3
119.03403	3.7
121.06597	0.5
121.10147	0.6
123.04387	2.4
123.07975	1.1
125.02325	5.5
125.09624	3.7
131.03412	0.8
132.93488	0.5
135.08034	0.8
136.73868	0.6
137.09596	2.3
139.11244	0.7
141.01700	1.3
141.12717	0.8
143.03368	2.4
149.09654	0.6
152.99443	0.7
161.04422	3.1
163.11197	4.9
167.10628	0.8
171.10165	1.7
172.73511	0.5
175.11179	0.8
176.11707	0.7
177.12814	1.3
179.05507	4.4
179.10689	1.2
181.12193	1.7
183.13968	0.7
185.11711	3.7
191.10678	0.9
191.14359	5.6
195.13823	7.2
196.14395	0.6
197.11809	1.3
200.78040	0.6
205.12233	0.9
207.10263	2.8
209.11760	11.9
211.13326	3.3
216.01254	0.7
221.06598	1.8
223.13356	5.8
225.11307	2.2
227.12744	1.0
235.08209	4.6
237.11270	2.4
243.17511	0.8
245.19043	10.1
253.09219	1.4
256.13034	1.0
263.20135	2.2
271.16992	1.5
275.20084	4.1
277.21664	1.0
281.21198	1.7
287.07788	1.3
287.16479	1.3
289.18082	46.2
290.18384	2.9
291.19629	3.9
293.21213	100.0
294.21503	7.0
295.22659	1.8
305.08688	1.5
305.17371	1.3
307.19141	47.0
308.19479	2.6
309.20792	3.4
323.09802	1.2
379.12292	1.6
391.09363	0.6
397.13489	34.2
398.14093	1.2
400.45905	0.6
415.14557	14.7
416.14944	0.9
583.39813	0.7
583.94739	0.6
607.26416	1.0
687.32178	2.1
691.35107	0.8
705.33344	3.1
706.33899	0.9
798.29956	0.6
883.47949	0.8
939.20471	0.6
981.55450	3.2
1019.84802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.558
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99667	0.3
69.03327	1.6
70.79974	0.7
71.01249	15.9
71.04881	0.4
71.59914	0.3
72.99178	1.8
73.02811	2.0
78.95728	0.4
79.95572	0.5
81.03298	0.9
83.01238	1.4
83.04903	0.3
85.02821	3.4
85.43272	0.3
87.00750	4.1
89.02310	11.5
93.03306	0.4
95.01242	1.0
95.04914	0.3
96.95878	5.7
97.02816	3.4
97.06474	0.5
97.95856	0.3
99.00719	0.9
99.04375	0.4
101.02313	10.8
109.06451	0.3
111.00744	0.4
111.04408	0.5
111.07278	0.4
111.08027	6.1
113.02319	6.7
119.03360	3.4
121.10085	0.4
125.02342	4.7
125.09588	0.8
127.07540	0.6
131.03348	0.6
137.09541	0.6
141.01791	0.4
143.03392	2.6
149.04388	0.4
151.11145	0.6
153.12733	0.6
161.04451	3.1
163.11171	0.4
165.12775	1.4
167.03381	0.4
167.10698	0.6
169.12236	3.0
171.10196	2.9
177.12749	0.4
179.05527	4.6
179.10777	0.4
179.14307	0.8
181.12215	1.3
183.13867	0.7
185.11623	0.3
188.87595	0.3
193.12192	0.5
195.13823	7.7
196.14346	0.7
197.11752	30.5
198.12096	1.1
199.13373	1.3
205.12224	0.5
205.15865	0.4
209.11607	0.8
211.13322	4.6
221.06642	1.3
223.13321	6.3
224.13933	0.3
225.14877	0.5
227.12714	1.8
228.13515	0.8
231.21077	0.6
235.08195	3.7
235.88263	0.3
239.12794	0.4
245.06677	0.4
247.20607	1.3
251.41299	0.3
253.09138	1.1
256.13086	1.0
263.07666	0.5
263.20001	1.5
265.18124	0.7
265.21634	0.5
273.18585	0.8
275.20151	5.5
276.20557	0.4
277.09152	0.4
277.21768	0.4
287.07730	1.1
289.18161	0.3
291.19638	17.9
292.19986	1.2
293.21201	100.0
294.21548	5.5
305.08771	1.4
309.20685	74.1
310.21069	3.1
317.21121	0.3
323.09906	1.1
333.20779	0.3
356.66309	0.3
379.12320	2.1
397.13467	31.1
398.13763	1.7
403.40140	0.3
415.14539	17.6
416.14859	1.0
551.56299	0.3
585.41577	3.3
595.26044	0.5
673.34509	0.8
689.33868	1.8
691.35339	2.4
692.35986	0.5
707.35028	2.5
983.55573	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.5425
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	0.7
71.01252	15.1
71.04881	1.3
72.99195	1.5
72.99532	0.3
73.02815	2.1
81.03338	1.6
82.95296	2.5
83.01276	1.3
83.02376	0.4
83.04901	1.0
85.02813	3.4
87.00761	2.9
89.02317	12.3
94.92389	0.7
95.01266	1.5
95.04895	1.3
96.95896	2.3
97.02820	1.9
97.06454	0.6
98.03625	0.4
99.00763	0.7
101.02321	11.2
106.04120	0.6
107.04916	0.3
109.02803	0.5
109.06471	8.2
111.00796	0.4
111.04405	2.6
111.08047	1.3
112.05131	0.3
113.02326	5.9
119.03374	3.8
121.02801	0.4
121.06504	0.4
121.10155	0.5
123.00750	0.3
123.08061	1.2
125.02335	4.2
127.07537	1.0
127.29575	0.3
129.01898	0.3
131.03349	0.8
135.08015	0.6
137.05901	0.3
137.09618	0.4
139.03935	0.5
141.01787	0.6
143.03383	1.9
143.10735	0.7
145.06500	1.6
147.08167	0.3
149.04430	0.5
149.09628	1.0
151.11165	0.6
159.08026	0.3
161.04454	2.6
167.03403	0.3
167.10706	2.0
171.10172	0.9
177.12733	0.9
179.05525	4.4
179.10661	0.9
179.14305	0.3
181.12271	0.8
195.13838	8.8
196.14444	0.7
197.13785	0.3
205.12253	1.1
211.13312	0.8
221.06578	1.6
223.13329	5.1
224.13771	0.4
225.14816	0.5
228.13680	0.7
231.21185	0.3
235.08212	3.7
235.13368	1.0
239.54796	0.3
245.11494	0.9
245.19077	4.1
251.16444	0.4
253.09283	0.7
256.13214	0.7
265.21671	0.4
271.17108	1.0
273.14923	0.7
275.20129	4.3
287.07751	1.1
287.16528	1.5
289.18091	85.2
290.18475	6.1
291.19754	0.9
293.21216	100.0
294.21542	6.1
297.15207	0.4
305.08798	1.3
307.19156	5.2
308.19360	0.4
309.20837	0.6
323.09830	1.1
331.19217	0.7
379.12491	2.0
397.13477	34.0
398.13943	1.6
415.14526	14.7
416.14761	0.6
423.15683	0.4
565.39185	0.5
654.26697	0.4
669.31396	0.9
673.34631	0.7
687.32202	3.2
688.32068	0.5
691.35175	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.543
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99693	0.9
69.03305	2.0
71.01249	24.3
71.04887	3.7
71.48000	1.0
72.99162	2.6
73.02825	3.8
75.00736	0.8
78.95761	1.0
81.03324	1.8
83.01250	2.6
83.04893	1.8
85.02808	6.5
87.00750	5.1
89.02307	18.4
93.03329	1.0
95.01230	2.3
95.04897	1.9
96.36603	0.7
96.95872	3.2
97.02836	3.7
97.06448	5.2
99.00712	1.7
101.02322	14.8
103.00175	0.8
107.04853	0.9
108.02009	0.9
109.02858	1.6
109.06470	2.0
111.00730	1.1
111.04446	1.4
111.08012	2.9
113.02338	9.6
113.09560	0.8
116.92796	1.1
119.03381	5.4
121.02901	0.9
123.04408	1.3
123.07996	1.1
125.02331	7.4
125.09578	0.9
127.11179	0.7
132.49030	0.6
135.08012	0.9
137.02303	0.8
139.03931	0.9
143.03409	3.5
151.03964	0.8
151.07602	1.0
151.11209	4.1
153.12756	0.9
155.10687	1.6
161.04466	2.7
163.11179	1.1
164.82953	0.7
165.12738	7.9
167.10672	1.4
169.12315	0.9
171.10143	7.1
177.12680	0.9
179.05498	6.3
179.10692	1.9
179.14362	1.1
181.12259	5.2
183.13797	3.2
191.10683	2.0
191.14320	2.0
195.13834	10.0
197.11786	0.9
199.13316	0.8
202.47852	0.6
205.12250	2.5
205.15787	1.0
207.13823	0.9
209.11761	14.5
211.13283	2.7
214.57408	0.8
215.10837	0.7
217.07077	0.9
221.06648	2.2
223.13341	7.7
225.11278	0.9
227.12802	9.3
228.13353	1.1
235.08119	4.0
237.14763	0.7
245.19142	5.3
253.09129	1.6
261.18509	0.9
263.20139	8.7
271.16852	0.9
275.20111	6.3
277.21725	13.8
278.21878	0.9
279.16150	0.8
279.19766	1.3
287.07581	0.8
287.16510	4.5
289.18097	11.5
290.18439	0.7
291.19641	0.9
291.22858	0.8
293.21204	100.0
294.21561	6.7
305.08752	1.6
305.17554	6.3
307.19135	39.1
308.19510	2.4
309.20938	1.0
323.18558	1.2
379.12360	2.1
397.13477	33.2
398.13959	1.9
415.09741	1.2
415.14661	12.1
416.14749	1.0
557.21484	0.8
589.25244	2.5
607.25916	8.5
687.32513	4.0
691.35791	2.0
705.33313	6.4
859.48279	0.9
883.46619	11.4
884.46692	3.1
900.22992	0.8
963.53564	2.1
981.54889	4.9
988.62598	0.8
988.91510	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01246	16.3
72.99184	4.0
75.00738	3.0
78.95770	5.0
79.95596	3.2
80.02515	3.2
81.03371	2.5
83.04887	4.3
85.02827	4.4
87.00770	3.3
89.02313	14.1
96.95889	16.0
97.02835	6.0
98.20638	6.1
101.02306	10.2
111.08044	4.6
111.73393	2.3
113.02293	9.5
119.03370	4.4
125.02374	6.9
132.95686	2.3
135.02792	2.9
141.01546	8.4
161.04491	3.6
163.11185	6.3
165.12804	4.5
167.10687	2.4
171.10167	5.0
179.05550	3.3
197.11815	18.1
209.11761	100.0
209.13786	5.5
211.13310	11.6
227.12790	15.5
230.08482	3.2
231.30592	2.8
233.11601	4.3
235.08176	6.2
253.09158	4.0
273.18515	2.6
291.19611	20.3
309.20679	82.5
310.21063	5.3
323.09668	2.8
341.23392	2.9
346.42120	2.5
379.12207	5.3
397.13483	36.3
398.14182	4.0
415.14746	14.0
447.13351	9.5
494.79904	2.9
533.12720	2.6
737.13159	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	977.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	1.0
70.59052	3.3
71.00890	1.5
71.01253	16.9
71.02425	1.1
71.04723	1.0
71.20988	1.0
72.99162	2.3
73.02816	1.9
75.00732	1.7
83.01240	1.4
85.02824	2.4
87.00755	3.9
88.98679	1.5
89.02319	11.0
91.17587	1.0
95.01256	1.8
96.95856	1.2
97.02827	2.5
99.00761	1.5
99.12490	0.9
101.02306	10.3
105.48406	1.2
113.02312	5.8
119.03389	3.0
123.17462	1.1
125.02322	3.7
143.03363	2.1
161.04471	2.1
162.14189	0.9
165.05447	3.4
167.14249	1.3
171.10339	2.1
179.05550	2.3
183.13870	5.7
195.13809	6.6
209.04434	1.3
211.13332	71.3
212.13751	2.8
223.13434	5.0
235.08192	4.5
253.09456	1.5
275.20160	6.4
287.07816	1.4
289.18021	1.4
293.21225	100.0
294.21573	7.0
379.12488	4.6
397.13477	39.5
398.13889	2.0
415.14597	14.4
487.35056	1.3
591.26544	4.1
609.27753	14.4
610.27631	1.7
673.34143	3.8
691.35687	5.2
702.10822	1.1
885.48761	2.8
979.92761	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33586	1.1
69.34008	1.2
71.01275	0.2
72.99177	11.9
75.00743	0.6
93.03336	1.4
96.95927	0.4
103.00266	0.3
106.04131	0.4
107.04922	0.8
108.02069	0.4
117.03341	16.9
118.03603	0.4
119.04916	0.9
121.02837	0.4
125.02315	0.3
133.02849	0.6
135.04433	0.8
145.02847	100.0
146.03180	2.8
147.04398	0.5
148.92436	0.3
149.05983	0.7
163.03880	0.6
165.05473	2.9
175.03905	0.7
179.03391	3.8
181.04980	0.4
193.04965	1.9
197.04263	0.3
211.06000	1.3
253.08635	0.3
255.05043	3.2
311.09174	3.1
325.07141	1.1
334.03284	0.3
367.10214	0.5
401.08728	77.7
402.09052	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	979.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	2.0
71.01255	20.2
71.04889	8.7
71.56503	1.4
72.99172	4.8
73.02821	2.0
76.41449	1.3
78.95779	1.7
81.63277	1.7
83.01239	2.3
85.02834	5.2
87.00754	5.7
89.02312	15.1
92.92673	1.8
95.01250	2.1
95.04917	7.2
96.95888	3.2
97.02835	2.2
101.02329	14.6
107.04929	1.7
109.02824	2.4
109.06465	7.1
113.02367	7.6
119.03362	4.3
121.06433	2.3
122.03641	2.4
123.08136	1.4
125.02353	4.0
133.19447	1.3
135.04399	2.1
135.08131	2.0
141.01602	19.3
142.99709	1.4
143.03369	2.2
149.09676	1.5
161.04424	4.3
161.09613	1.8
165.09105	4.7
171.10188	3.4
174.01596	4.7
174.03125	1.4
175.02423	3.8
179.05531	7.2
189.12709	2.4
190.06287	1.6
195.13788	6.9
197.11807	2.1
205.15965	4.4
209.11748	1.9
213.67110	1.3
221.06679	1.9
223.13361	5.1
233.11763	2.1
235.08195	4.0
235.83696	1.4
243.17496	4.7
249.14915	5.0
253.09286	1.9
265.73932	1.4
275.20139	4.7
277.21661	2.0
287.07764	1.5
287.16507	35.7
288.16925	4.5
289.18283	2.4
291.19675	2.0
293.21219	100.0
294.21524	7.3
305.17578	88.3
306.17908	4.6
309.20615	4.8
310.20862	2.4
315.16077	2.4
379.12924	1.4
397.13568	29.4
398.13892	1.9
415.14523	17.3
623.05090	1.5
691.36163	1.7
979.48352	20.5
979.68109	2.0
980.50079	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	977.4745
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	1.2
71.01230	3.1
72.99178	28.3
75.00735	2.0
85.02812	1.4
87.00737	3.3
88.98669	19.4
88.99156	0.7
89.02303	3.4
89.99009	1.7
90.99097	1.1
92.89056	0.9
95.01255	1.2
97.38232	1.0
98.19730	1.6
100.98661	2.1
101.02306	2.4
103.00252	7.9
116.92709	1.3
118.71049	1.1
121.02817	3.2
122.03622	2.5
123.04359	1.4
125.02288	1.3
135.04399	1.9
137.02365	2.1
146.03609	7.7
146.99208	3.8
147.04420	4.4
149.05995	1.0
150.03091	1.9
159.04416	3.0
160.05168	2.0
161.06000	2.1
162.03146	1.8
162.06778	1.6
163.03865	2.6
172.05197	2.3
173.05969	1.9
174.03116	3.7
175.03914	7.2
176.04723	5.5
178.02600	1.3
180.04158	1.3
186.06628	1.4
187.03851	2.8
188.04677	4.1
189.05499	2.7
190.06332	10.7
200.04724	3.3
201.05460	2.6
204.04169	2.0
209.11731	1.2
211.13315	6.0
217.12338	2.1
245.11873	1.2
259.13342	2.4
269.11777	2.1
270.03766	4.3
271.13373	11.6
272.13876	1.1
276.16965	1.2
277.21677	10.9
283.13428	9.7
285.14807	2.5
287.13046	1.2
287.16458	2.9
289.14413	3.2
297.14868	2.7
299.12891	5.1
301.14420	8.4
311.12958	2.5
313.14581	5.7
315.15994	25.3
316.16391	1.2
325.14423	8.7
329.13901	4.5
333.17099	7.3
337.14386	2.2
343.15530	4.4
355.15411	4.2
357.17007	1.9
373.16324	2.1
397.13217	1.4
797.44562	1.3
815.46356	2.7
869.46735	1.8
883.44629	2.5
887.48199	8.2
888.48358	2.8
901.45703	3.7
903.46515	2.6
959.46179	3.5
963.72052	1.1
977.47437	100.0
978.47748	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	977.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	0.2
69.68750	1.0
71.01234	0.3
72.99178	15.4
73.46288	0.1
74.26314	0.2
75.00726	0.3
77.12840	0.2
78.01877	0.2
78.95768	0.2
79.47909	0.2
84.99131	0.2
87.00751	1.6
87.38978	0.2
93.03320	0.4
96.95885	0.2
97.06455	1.7
99.00734	0.7
100.98675	0.7
103.00243	6.3
107.04888	0.7
108.02043	0.7
109.02841	0.4
112.05122	0.3
112.90004	0.2
117.03298	0.2
121.02831	4.9
122.03625	2.5
123.00692	0.2
123.04376	0.9
124.01507	0.4
125.02357	0.2
133.02792	0.2
135.04401	1.3
136.01540	0.9
136.05202	1.6
137.02301	0.5
138.03120	0.3
145.02846	0.5
146.03622	0.6
146.99234	1.6
147.04398	0.8
148.05185	1.0
149.00853	0.3
149.02313	0.5
150.03110	1.4
151.03922	1.0
158.03561	0.3
159.04416	0.6
161.02332	1.0
162.03136	2.9
162.06764	0.5
163.03902	1.9
163.11186	0.3
164.04677	0.8
172.05209	2.0
173.05962	0.5
173.09598	0.3
174.03110	1.5
174.06812	0.2
175.03850	1.4
175.07512	0.4
176.04662	0.7
177.09117	9.7
178.09471	0.5
179.03410	4.4
180.04172	0.9
184.05063	0.3
185.06036	0.3
186.06770	0.2
187.03938	0.8
187.07620	0.3
188.04655	0.6
189.01849	0.6
189.09111	0.6
190.02611	1.2
191.03433	2.9
191.10686	8.0
192.10971	0.4
199.07516	1.0
200.04744	0.6
200.08220	0.3
201.05469	0.6
201.09137	9.9
202.02702	0.2
202.06323	0.2
202.09508	0.4
203.03383	0.6
203.10721	1.2
204.04253	0.5
205.08627	8.7
206.08966	0.5
207.02916	0.9
207.10284	0.3
208.03712	0.9
213.05473	0.4
213.09114	1.3
214.06320	0.3
215.03433	0.2
215.06863	0.3
215.10706	0.7
216.03979	0.2
216.07727	0.2
217.08609	2.0
218.09306	0.6
219.10197	10.4
220.10530	0.4
221.11620	0.2
229.08614	4.9
230.02136	0.3
230.09172	0.7
231.10210	3.8
233.08046	0.2
233.11641	0.4
241.08672	0.8
243.10229	1.7
245.08125	0.7
247.09712	2.9
249.11267	2.5
250.11778	0.2
257.08136	0.3
259.09723	4.4
260.09967	0.2
261.11307	0.5
269.08289	0.5
270.03741	1.0
271.02386	0.2
273.07697	1.8
275.09210	1.8
276.09665	0.2
277.10788	8.0
278.11139	0.5
285.07742	0.3
287.09238	1.8
291.08734	1.8
293.10291	1.2
300.02875	0.3
301.03455	0.5
303.08759	0.3
305.10266	1.3
315.25095	0.2
331.08084	0.5
349.09171	1.1
365.08841	0.4
366.08942	0.5
367.10294	100.0
368.10645	5.4
422.94458	0.2
447.09171	0.6
492.21869	0.2
498.02615	0.2
691.05634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	7.7
72.99174	13.8
75.00754	1.7
85.02843	1.6
87.00726	2.5
88.98676	4.1
89.02299	4.5
94.92339	1.7
96.95866	1.7
98.21856	1.3
99.29655	1.2
101.02309	5.5
103.00256	12.0
103.92799	1.3
109.02824	2.3
113.02325	1.9
121.02843	2.0
122.03605	3.3
135.04382	4.2
137.02383	1.4
141.01587	3.2
146.03618	10.4
147.04362	4.2
149.02318	3.2
149.05966	1.5
150.03108	4.7
159.04419	5.9
160.05203	2.2
161.02374	6.4
161.05986	1.7
162.03148	9.3
163.03923	7.4
165.05489	1.8
171.95236	1.4
172.05180	4.7
173.02396	1.4
173.05997	3.1
174.03113	10.0
175.03922	13.4
176.04646	3.0
178.38309	1.7
187.03915	9.3
188.04741	12.0
197.11887	1.5
200.04710	7.1
201.05460	3.9
202.06024	1.7
203.03479	1.5
204.04221	8.9
209.11786	2.2
211.13358	11.8
212.04826	1.6
223.90894	1.3
226.18816	1.3
235.02512	2.3
241.12143	1.3
245.11708	2.3
247.13412	3.8
253.12180	1.6
259.13312	2.8
269.11835	4.7
271.13455	6.9
277.21622	7.6
283.13345	4.9
285.14810	2.6
286.11966	1.5
287.12866	4.8
289.14392	3.3
291.19666	6.6
295.13394	2.1
297.15002	1.9
299.12851	6.8
299.15817	1.4
300.12558	1.4
301.14407	6.3
303.15857	2.5
305.13962	1.6
311.12878	7.0
313.14429	13.7
315.16006	1.6
317.13889	6.0
323.22104	2.2
325.14447	9.4
327.15894	1.5
329.13989	10.2
331.15573	2.4
343.15427	6.1
347.15106	2.0
355.15390	2.1
373.16684	2.5
397.13397	4.6
447.09290	1.4
813.45941	1.9
827.45709	2.0
857.47687	2.3
869.47107	1.8
883.45453	2.4
885.46246	4.0
887.48212	3.2
931.46747	5.5
932.46179	2.1
957.45258	5.1
975.45874	100.0
976.46454	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	975.481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01247	15.5
72.99175	4.4
73.02807	3.4
83.01283	3.5
83.04875	5.4
85.02829	4.1
87.00739	6.2
89.02309	12.4
96.95874	23.6
97.02836	4.1
101.02325	12.3
113.02312	8.7
119.03394	3.9
122.58347	2.8
125.02287	9.0
125.09670	3.4
161.04369	3.9
163.11177	10.6
165.12782	5.0
179.05537	4.9
185.11745	5.1
193.41461	3.1
207.10179	6.4
209.11746	100.0
209.63116	3.3
210.12051	4.8
211.13246	6.5
219.86919	3.1
225.11111	4.3
227.12849	13.2
229.40012	3.1
229.47870	3.0
235.08096	4.5
245.19077	8.4
289.18057	38.4
307.19141	38.7
307.97467	3.3
309.20679	3.0
379.12204	4.1
397.13480	32.4
415.14557	8.5
505.85654	3.4
687.32422	4.2
880.07593	3.3
915.45758	7.0
947.91974	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	975.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38763	1.7
69.39175	7.6
71.01263	5.0
72.91380	1.0
72.99177	18.1
75.00744	2.3
83.01219	1.1
83.04889	2.3
85.02824	1.4
87.00748	3.6
88.98675	1.8
89.02289	1.7
93.03337	1.2
96.95869	3.3
99.00740	1.4
101.02306	2.2
103.00247	8.9
106.52708	0.9
109.02856	8.1
113.02299	1.6
117.03329	2.1
119.04928	1.9
121.02814	3.8
122.03631	2.1
123.04406	19.0
125.02319	3.5
125.09639	2.5
133.02841	1.3
135.04419	11.5
137.02316	2.2
141.26974	1.0
143.04927	1.1
145.02864	7.2
146.03610	6.6
147.04410	7.8
149.00877	1.3
149.02327	5.4
149.05966	1.5
150.03122	6.6
151.03877	4.9
158.03511	1.0
159.04433	13.6
160.04871	1.5
161.02296	5.7
161.05965	14.4
162.03134	14.8
163.03915	19.7
163.11172	1.3
164.04657	4.2
165.01784	1.2
165.05505	5.0
171.04378	1.3
171.10155	2.2
172.05226	1.7
173.02419	1.9
173.05949	3.4
174.03122	12.5
175.03900	10.2
176.04700	4.3
177.01807	1.1
177.05492	7.8
179.03362	2.4
181.04959	3.3
184.05270	0.9
185.11696	5.8
187.03935	11.1
188.04706	9.0
189.01819	1.9
189.05470	12.4
190.02641	4.2
191.03401	11.6
192.04118	3.7
193.04935	2.5
195.06528	1.9
199.03978	1.2
200.04674	1.2
201.05475	4.8
203.03427	4.1
203.07037	1.0
204.04106	2.8
205.04979	4.3
207.06544	4.2
209.11757	22.1
209.13730	1.1
211.13344	1.4
215.03404	1.4
217.04980	5.2
219.06483	2.2
225.05489	1.8
227.12750	1.4
235.06084	3.1
269.11865	1.2
271.04596	8.6
271.13348	2.6
285.14877	1.7
287.12854	1.2
289.14471	1.1
295.13290	2.7
297.14996	2.1
299.12836	2.3
301.14423	2.4
313.14453	11.4
315.16125	1.8
317.13971	1.8
325.14316	3.2
327.15930	1.5
329.13672	1.1
331.15533	5.1
337.10455	1.0
337.14383	5.0
341.13809	2.4
343.15436	4.2
353.14005	1.5
355.15430	2.5
361.16339	2.1
371.15131	1.9
373.16638	1.1
835.37854	1.7
853.38434	4.8
899.38580	1.4
925.36096	2.4
943.37939	8.3
957.39612	7.5
975.40735	100.0
976.41339	13.0
1014.48529	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	971.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	4.3
71.01254	24.5
71.04886	2.3
71.37591	1.9
72.51686	1.1
72.99181	3.2
73.02814	4.7
81.03325	3.6
83.01260	3.6
83.04904	2.3
85.02839	7.2
87.00776	5.9
89.02314	22.2
93.03330	1.3
95.01260	3.0
95.04906	2.4
96.95890	2.8
97.02800	6.1
97.06466	4.6
99.00765	3.1
101.02320	18.7
109.06551	1.7
111.04427	1.4
113.02321	12.7
116.92755	6.7
119.03362	6.4
123.04427	3.4
123.07995	1.6
125.02318	9.5
125.09646	7.3
131.03397	1.8
135.08069	1.7
137.09610	3.8
143.03441	2.9
144.58218	1.3
149.09695	1.5
161.04453	4.3
163.11168	7.7
165.12787	1.9
167.10703	4.8
171.10173	1.1
177.12779	1.6
179.05486	8.3
179.10719	2.4
179.14365	4.2
181.12253	1.6
185.11740	9.1
191.14336	7.0
195.13852	12.2
205.12306	11.1
207.10199	4.7
209.11758	17.8
211.13301	2.7
221.06625	4.2
222.77153	1.2
223.13350	100.0
224.13670	5.0
225.11324	3.3
227.12920	1.1
235.08235	6.8
237.11218	2.4
245.19087	15.9
246.19365	1.2
253.09009	1.6
263.07736	1.6
263.20087	3.6
271.17029	1.8
277.21805	1.5
281.21115	1.3
287.07813	1.9
287.32150	1.1
289.18088	61.7
290.18390	2.7
305.08810	1.4
307.19147	65.3
308.19501	5.0
316.76303	1.2
323.09790	1.4
379.12372	4.1
397.13495	49.6
398.13782	2.0
415.14630	16.0
495.30881	1.6
513.32019	3.1
531.33325	1.8
603.26678	4.6
621.27667	9.3
622.27686	1.9
687.32257	5.4
705.33429	4.6
740.88617	1.6
795.37604	10.6
796.38495	3.1
813.39020	5.0
875.44165	3.6
893.45398	3.7
911.45923	7.1
912.47797	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	971.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03299	3.2
71.01252	33.3
71.04888	2.1
71.36324	4.6
72.99153	3.4
73.02827	7.2
83.01252	3.5
83.04890	2.3
85.02813	5.6
87.00751	8.5
89.02315	25.4
96.95904	11.4
97.02812	4.3
97.06465	6.2
99.00757	2.3
99.92486	2.4
101.02329	19.3
104.99229	1.8
111.08024	2.7
113.02335	13.7
116.92744	12.6
119.03383	7.4
120.17410	1.9
125.02357	9.9
139.03888	2.0
141.01620	4.1
143.03325	4.5
144.01947	2.0
149.09586	2.9
151.11191	6.7
161.04446	4.3
163.11203	3.1
165.12767	7.9
167.10672	6.5
171.10153	2.3
174.56892	1.8
179.05513	6.8
179.10684	3.7
179.14291	3.9
181.12222	5.2
183.13828	5.2
191.10760	4.4
193.12166	1.8
195.13834	16.6
205.12323	11.1
209.11786	24.1
211.13329	4.9
223.13338	100.0
224.13718	4.8
227.12796	13.2
227.30432	1.9
235.08160	5.4
243.77388	2.0
245.19141	5.4
263.20081	8.9
264.05093	1.8
271.17068	2.8
277.21735	2.8
289.18112	12.3
295.56851	2.0
307.19144	48.7
308.19321	4.3
379.12369	4.9
397.13483	41.1
398.13721	2.7
415.14520	8.4
589.24811	5.5
603.26251	3.5
607.26038	14.6
608.25793	2.4
621.27460	10.3
687.32599	8.8
705.33307	9.3
757.36267	3.1
795.38629	2.6
813.39130	17.6
814.39423	3.3
893.44965	2.6
911.46124	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	967.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	2.8
71.01254	24.1
72.99176	2.5
73.02821	3.5
81.03323	1.2
83.01249	2.0
83.04903	1.0
84.02053	0.6
84.99297	0.6
85.02823	7.3
87.00751	5.5
88.80262	0.5
89.02319	19.4
95.01246	2.4
97.02838	5.5
97.06445	0.9
98.20558	1.4
99.00765	1.7
101.02320	17.0
111.00739	0.6
111.04394	0.7
111.08031	4.2
113.02330	10.6
115.03896	0.5
119.03376	5.0
119.08503	0.6
120.57410	0.6
121.02782	0.6
125.02337	8.5
125.09666	0.9
131.03334	0.8
135.08031	0.6
137.02461	0.6
137.09592	2.0
141.01764	0.7
143.03363	3.7
149.04436	0.9
153.12737	0.7
161.04497	3.9
165.12769	2.7
167.03586	0.6
169.12242	1.8
169.45201	0.5
171.10164	5.4
179.05531	5.1
181.12260	1.2
183.13857	1.0
185.11658	0.9
193.12387	0.7
195.13640	0.7
197.11772	21.9
198.12195	0.7
199.13348	1.9
207.13869	0.7
209.11755	1.5
209.15384	1.4
211.13370	6.0
217.07036	1.2
221.06619	2.2
221.11707	1.6
223.16972	1.0
225.14914	3.7
227.12801	2.1
233.15497	0.6
235.08180	7.9
247.20660	2.2
251.16475	1.3
253.09209	1.5
255.23169	1.0
259.08334	0.7
263.07806	1.1
263.19962	1.2
265.18073	0.7
273.18671	1.6
277.21716	64.6
278.22070	3.3
287.07706	2.4
291.19678	31.1
291.23022	1.5
292.20029	1.8
305.08673	3.5
309.20697	100.0
310.21130	5.1
323.09827	0.9
329.23248	1.1
379.12421	5.5
382.15643	0.6
397.13489	50.6
398.13708	2.7
415.14545	17.4
416.14856	0.8
675.36102	1.0
688.70013	0.6
689.33844	1.8
707.34686	1.4
893.93427	0.7
926.69672	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01263	15.3
83.04937	3.6
85.02782	3.8
87.00754	5.3
89.02308	12.9
93.67223	2.9
93.91625	2.9
96.95869	17.1
97.02783	3.4
101.02314	10.4
113.02319	4.9
114.13614	2.6
118.19085	2.8
119.03426	3.4
122.89067	2.9
125.02336	7.5
126.97612	2.6
128.76231	3.1
138.81505	3.0
161.04424	3.7
163.11223	3.3
179.05507	4.3
209.11778	72.9
211.13335	12.1
216.99968	3.3
227.12814	12.7
235.08080	5.5
293.21204	100.0
294.21469	6.2
309.20670	20.3
379.12210	7.4
397.13522	60.6
415.14545	16.2
589.25000	5.6
607.26099	17.9
673.34448	9.5
682.74042	3.5
691.35468	6.6
863.07794	3.8
901.48450	5.5
969.48438	58.6
970.48840	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	967.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98214	0.3
69.03314	2.4
69.79913	1.6
71.01249	20.2
71.04886	0.5
72.01552	0.4
72.99189	1.7
73.02814	3.0
75.00735	0.5
80.02530	0.3
81.03320	1.2
83.01252	2.6
83.04879	0.7
85.02820	4.6
85.99944	0.5
87.00743	4.8
89.02311	16.3
91.03870	0.5
95.01263	1.5
95.04878	0.6
97.02821	9.3
97.06440	1.0
98.19875	0.3
99.00735	1.2
99.04424	0.3
101.02316	14.0
101.02995	0.7
107.04903	0.3
109.02885	0.5
109.06459	0.8
111.04382	0.9
111.08024	1.3
113.02325	7.8
115.03917	0.4
119.03383	3.8
119.08543	0.6
121.02911	0.3
121.10100	0.4
123.04411	0.5
123.08020	0.6
124.01543	0.3
125.02323	6.5
125.05970	0.4
125.09565	1.0
128.90810	0.3
131.03391	0.8
133.04903	0.5
137.09622	3.1
139.03915	0.5
141.01802	0.5
143.03383	2.9
149.04417	0.4
161.04457	3.8
163.11172	1.9
165.12766	4.0
166.09860	0.5
167.03407	0.5
167.10727	0.3
167.14323	0.5
169.12244	0.3
171.10178	6.3
177.12746	0.5
179.05513	4.7
179.14308	0.9
181.12164	1.5
183.13802	1.3
185.04445	0.6
185.11729	0.7
191.14302	0.5
193.12239	1.0
193.15862	0.8
195.13814	0.9
197.11768	2.6
199.06047	0.6
199.13272	0.3
206.16281	0.3
209.11737	1.9
211.13309	3.3
217.07123	0.7
221.06592	1.8
221.11723	0.9
223.13309	1.0
227.12801	2.3
229.19678	0.3
235.06064	0.5
235.08195	5.9
239.12782	0.5
247.20648	3.4
250.23416	0.3
251.16449	0.4
253.09303	1.4
253.28346	0.3
263.07544	0.5
263.20041	0.3
273.18552	2.5
275.19833	0.3
277.21701	54.9
278.22104	2.5
287.07748	2.4
291.19650	42.3
292.19989	2.3
305.08804	1.9
305.20935	0.3
309.20679	100.0
310.20981	4.6
323.09805	1.1
333.20651	0.8
379.12363	4.4
397.13464	44.1
398.13803	2.3
415.08945	0.7
415.14526	13.8
416.14896	0.5
569.42096	0.6
675.35541	1.1
689.33771	1.1
690.33740	0.4
694.28571	0.4
707.34857	1.3
967.52881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5626
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.2
71.01249	19.0
71.52349	0.8
72.99161	1.8
73.02799	2.2
77.54813	0.5
81.03323	0.9
83.01251	2.4
83.04898	0.6
84.66615	0.5
85.02810	4.3
87.00734	4.6
89.02318	12.9
95.01263	1.8
95.21217	0.5
97.02825	5.5
97.06493	0.9
99.00745	1.1
101.02316	12.7
109.06501	0.9
111.08022	3.8
113.02319	8.0
119.03381	3.5
123.08078	0.7
125.02311	6.3
127.07505	1.1
137.09624	1.5
139.03835	0.7
141.01784	0.8
143.03433	3.2
145.72028	0.6
151.11159	0.9
161.04419	3.0
163.11122	1.5
165.12781	2.8
169.12257	1.7
171.10162	2.3
179.05515	5.2
179.14313	1.0
181.12288	1.3
183.13805	1.5
193.12225	0.6
193.16006	1.0
195.13768	0.7
197.11761	20.9
198.12231	0.7
199.13280	1.2
209.11801	1.2
211.13336	5.2
217.07185	0.6
221.06657	2.3
223.13289	1.2
227.12750	1.1
233.15421	0.7
235.08170	5.5
247.20604	2.4
251.16458	1.4
253.09303	1.7
255.23114	1.0
263.20197	1.7
273.18552	2.4
277.21707	45.9
278.22073	2.3
287.07785	2.3
291.19641	38.2
292.20096	2.7
305.08850	1.9
309.20697	100.0
310.21085	7.5
323.09790	1.4
327.21756	1.1
328.22000	1.1
329.22476	1.4
333.20605	0.8
379.12427	3.5
397.13501	32.6
398.13779	2.5
415.14600	13.6
416.14984	1.0
458.82065	0.6
675.36121	0.6
689.34033	1.3
707.35126	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	967.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03312	0.5
71.01253	8.2
72.99179	0.6
73.02816	1.1
75.00742	0.3
81.03340	0.3
83.01266	0.6
83.04881	0.2
85.02820	1.6
85.24370	0.2
87.00745	2.2
89.02317	6.4
95.01268	0.5
95.04911	0.3
96.95878	0.3
97.02827	1.1
99.00755	0.4
99.04358	0.1
101.02322	5.5
109.02860	0.1
109.06488	0.2
111.04410	0.2
111.08035	0.4
113.02325	2.7
113.09618	0.3
115.03872	0.2
119.03397	1.4
125.02335	1.9
127.03881	0.1
131.03419	0.3
137.02319	0.2
139.03961	0.3
141.01857	0.2
141.09114	0.3
143.03429	0.7
148.83086	0.1
155.10547	0.1
157.05072	0.1
161.04475	1.2
167.10622	0.3
171.10165	0.2
177.12799	0.3
179.05533	1.9
179.14355	0.7
181.12093	0.2
189.07817	0.1
195.13832	8.4
196.14427	0.5
197.15329	0.2
205.12286	0.7
205.15897	0.5
211.13370	0.5
221.06537	0.7
223.13347	5.8
224.13876	0.4
225.14946	0.3
228.13609	0.9
231.21127	0.4
235.08221	1.8
249.22221	0.4
253.09290	0.5
256.13120	1.3
265.21774	0.5
275.20139	4.7
276.20444	0.2
287.07721	0.5
293.21213	100.0
294.18225	0.2
294.21545	4.1
298.05692	0.1
305.08759	0.6
309.20761	0.2
317.21375	0.2
323.09851	0.3
335.22745	0.2
336.57300	0.1
379.12378	1.0
390.62460	0.1
397.13492	15.3
398.14005	0.4
415.14548	9.4
416.14200	0.2
569.42145	1.4
570.42712	0.3
654.27509	0.3
673.34467	0.8
691.35376	2.5
692.35651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5475
Annotation	Unknow
Peak:m/z	Relative Intensity
67.08737	0.3
69.03323	1.3
70.10504	0.3
71.01250	16.9
71.04895	1.3
71.56599	0.6
72.99168	1.8
73.02480	0.3
73.02818	1.8
75.00741	0.5
78.95767	0.6
80.02558	1.0
81.03333	1.9
83.01253	1.9
83.04900	1.0
85.02815	3.2
87.00745	3.8
89.02312	14.1
93.03315	0.4
94.92351	0.3
94.97910	0.3
95.01299	1.5
95.04903	1.4
97.02821	2.7
99.00753	0.9
101.02315	12.2
106.04153	0.7
107.04944	0.4
109.02825	0.5
109.06470	7.4
111.00740	0.7
111.04392	2.9
111.08042	1.4
112.14598	0.3
113.02335	7.3
115.03915	0.4
119.03390	3.8
119.04855	0.3
121.02864	0.6
121.06508	0.8
123.04379	0.4
123.08038	1.2
125.02328	4.9
127.07529	1.0
131.03391	0.7
133.04919	0.6
135.08046	0.8
136.98801	0.3
137.09592	0.7
139.03908	0.6
141.01761	0.5
143.03392	2.3
143.10675	1.2
145.06442	1.9
149.09659	0.7
151.11174	0.4
152.99533	0.3
161.04471	3.3
163.11143	0.9
165.79189	0.3
167.10648	1.7
177.09103	0.4
177.12772	0.7
179.05515	5.0
179.10721	0.8
181.12218	0.4
185.11736	0.7
191.14301	1.5
195.13847	1.8
207.10126	0.4
209.04607	0.4
209.11768	0.6
221.06677	1.9
235.08177	5.2
235.13272	0.5
245.19064	5.9
246.19304	0.4
249.14990	0.4
253.09242	0.9
259.08310	0.6
259.20697	0.4
261.18488	0.4
263.07501	0.4
271.16968	1.4
275.19995	0.4
277.21695	47.3
278.22037	3.3
287.07712	1.5
287.16483	1.8
289.18069	100.0
290.18420	6.0
291.19565	0.5
305.08759	1.9
307.19144	7.4
323.09756	1.0
331.19162	0.8
361.11020	0.5
376.26724	0.3
379.12466	5.1
397.13467	33.2
398.13705	1.6
399.53754	0.4
415.14520	10.4
416.14792	0.4
507.04431	0.3
669.31134	1.3
687.32068	2.6
965.45654	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5471
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	1.7
69.81818	0.5
71.01247	19.6
71.04877	1.6
71.56564	0.7
72.99171	2.6
73.02808	3.2
77.08772	0.6
81.03318	1.6
81.39976	0.6
82.95279	3.9
83.01258	2.8
83.04896	1.1
85.02807	4.8
87.00739	4.0
89.02312	17.4
93.03356	0.6
95.01260	1.8
95.04877	1.4
97.02811	2.8
99.00739	1.7
101.02320	15.8
101.02998	0.8
106.04115	0.9
109.02812	0.7
109.06468	8.3
111.04399	3.1
111.08009	1.4
113.02327	8.0
119.03390	5.8
121.02863	0.8
123.08008	0.6
125.02323	6.9
131.03424	0.7
133.10132	0.6
139.03844	0.6
141.01878	0.7
143.03406	2.8
143.10658	1.1
145.06494	1.5
149.09624	1.2
152.99471	1.2
161.04460	4.0
167.10649	1.8
176.89497	0.5
177.12823	0.8
179.05511	5.9
195.13843	1.8
199.06087	0.7
211.13277	0.7
217.07004	0.7
221.06624	1.5
221.99858	0.6
235.08167	5.7
235.13210	0.7
243.17731	0.6
245.18987	4.0
253.09232	1.1
271.17072	1.5
273.15036	0.8
277.21707	62.6
278.22049	3.4
287.07602	1.8
287.16522	1.7
289.18073	100.0
290.18417	6.1
291.23135	0.9
305.08771	2.0
307.19064	5.1
309.20639	0.7
323.09888	1.4
327.21622	1.0
379.12390	5.3
397.13477	48.4
398.13657	3.2
415.14517	11.2
416.15033	1.0
669.31708	1.4
687.32239	1.8
860.91034	0.7
947.52289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03313	0.8
71.01251	15.2
72.99158	1.7
73.02799	1.4
73.90511	0.4
75.00731	0.5
78.95770	1.5
83.01248	2.0
83.04869	0.6
85.02827	3.7
87.00755	3.5
89.02310	13.6
95.01252	1.1
95.04917	0.8
96.95893	1.5
97.02825	2.1
98.19777	1.5
99.00758	0.8
101.02316	12.3
111.08046	7.6
113.02328	6.4
116.34076	0.5
119.03394	3.5
125.02323	5.1
135.11723	0.6
137.02368	0.6
141.01617	1.5
143.03366	2.0
145.22038	0.5
149.09648	0.5
152.99541	0.5
161.04433	3.1
167.10687	1.9
171.10150	1.3
177.12753	1.5
179.05481	4.8
179.10709	1.1
179.14368	0.9
195.13815	11.1
196.14427	0.7
205.15822	0.7
209.11774	0.6
211.13358	0.8
221.06622	1.5
223.13326	5.5
228.13577	0.9
235.08150	4.3
247.20621	2.4
253.09348	1.0
256.13080	1.3
273.18515	1.4
275.20181	5.3
276.20532	0.6
277.21619	1.9
287.07791	1.1
289.18243	1.0
291.19644	90.4
292.19992	5.5
293.21207	100.0
294.21512	7.1
305.08817	1.2
307.19092	2.1
323.09692	0.9
333.20615	0.7
379.12415	2.7
397.13467	36.5
398.13904	1.5
415.14597	15.0
416.15076	1.1
509.28101	0.5
567.40082	0.7
574.38922	0.5
671.32611	3.4
672.34283	0.6
673.34082	1.0
689.33813	9.0
690.34497	1.0
691.35406	2.6
896.47821	0.6
965.53186	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	965.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01241	0.4
71.57732	0.4
83.04893	0.3
85.02822	0.3
87.00753	0.3
89.02327	0.4
96.95874	3.0
96.96812	0.3
97.02825	0.3
97.06433	0.3
101.02335	0.4
109.06435	0.2
111.08009	1.2
111.31818	0.2
113.02324	0.3
115.00235	0.3
116.92761	0.3
125.02336	0.7
129.01805	1.8
133.01399	0.3
135.02875	0.5
165.12749	21.1
166.13103	0.7
171.10210	0.9
175.02408	0.3
183.13818	90.0
184.14172	3.9
191.10800	0.5
209.11777	7.3
209.13734	0.4
210.12033	0.6
225.11232	0.3
227.12827	100.0
228.13152	4.6
235.08231	0.4
249.10928	0.3
253.09286	0.4
315.02386	0.3
341.23218	0.9
397.13580	0.5
445.20590	0.4
465.47159	0.3
597.70038	0.2
708.30225	0.3
714.53223	0.2
883.95361	0.3
947.44617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.5895
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	2.7
70.43614	1.4
71.01250	16.6
72.99174	1.6
73.02817	2.4
81.03319	0.7
83.01255	2.1
83.04922	0.6
84.02060	0.4
85.02821	9.1
87.00755	3.2
89.02315	14.8
91.89759	0.3
95.01246	1.2
95.04889	0.4
97.02814	3.4
97.06486	1.8
99.00748	0.9
101.02317	12.1
111.04426	0.5
113.02335	7.3
119.03391	4.2
119.08566	0.6
120.26791	0.4
125.02342	4.8
125.09650	0.8
127.11189	0.9
131.03383	0.5
133.04932	0.5
137.09639	1.8
139.03865	0.6
141.01608	3.0
143.03421	2.7
147.04332	0.4
149.04454	0.4
152.99521	0.4
155.10693	0.5
155.14391	0.5
161.04521	2.6
165.12798	0.6
167.14270	0.6
171.10170	21.8
172.10486	0.8
177.12706	0.5
179.05518	2.5
183.13791	1.6
185.11771	0.7
193.12257	0.7
201.11230	0.9
209.11771	1.2
211.11443	0.7
211.13327	9.6
212.13809	0.5
217.07024	0.5
221.06544	1.0
221.11665	1.9
229.14398	7.4
235.08179	5.0
236.09201	0.3
239.12830	1.4
253.09227	1.0
255.23256	34.1
256.23502	2.3
263.07587	0.5
277.21658	1.2
287.07584	1.1
287.16470	0.5
291.19662	2.9
305.08777	1.7
309.20700	7.4
310.20969	0.7
323.09738	0.9
327.21738	100.0
328.22107	5.5
351.21448	0.4
397.13470	54.5
398.13928	2.7
405.73715	0.3
415.08948	0.9
415.14542	16.5
416.14694	0.9
565.44568	2.0
653.37531	5.3
654.37842	0.5
707.34967	6.2
708.35083	0.9
725.35828	2.7
963.59149	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6865
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95780	0.3
80.04950	0.3
81.03325	6.5
83.04894	16.2
83.60294	0.3
92.87002	0.2
95.01287	0.3
96.95889	0.7
98.20547	0.5
100.07527	0.5
107.06061	0.3
108.04413	0.5
119.04933	0.3
125.02328	1.3
125.07093	0.9
126.05487	0.6
135.04317	0.3
143.08186	0.5
145.02837	0.7
150.03087	0.3
163.03958	0.3
169.01335	0.6
169.08670	0.2
192.40343	0.2
199.18018	0.2
207.14943	1.1
224.17632	2.6
225.16025	9.7
242.18758	0.7
245.04431	0.3
248.48268	0.2
250.16634	0.2
291.20807	0.3
309.21713	0.9
324.26651	0.4
333.22937	0.7
341.29187	1.0
356.44122	0.3
367.27185	0.9
385.28241	0.5
404.95682	0.3
433.31955	1.4
450.34543	0.8
451.32852	9.2
452.33267	1.0
533.24945	0.3
550.43237	0.7
567.46136	0.4
659.48566	0.4
676.51758	0.5
677.49945	1.7
776.60559	0.5
885.65906	0.8
903.66473	100.0
904.66827	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	961.5736
Annotation	Unknow
Peak:m/z	Relative Intensity
68.56560	1.6
69.03329	3.4
71.00889	3.2
71.01254	39.6
72.99181	2.5
73.02814	5.2
79.37028	1.5
81.03334	2.7
82.07052	1.7
83.01260	4.5
83.04884	5.4
85.02802	11.3
87.00740	8.3
89.02316	32.2
91.13631	1.6
91.71391	1.5
95.01268	4.6
95.04867	3.0
97.02814	6.8
97.06433	2.4
99.00767	2.2
99.04392	3.3
101.02322	27.9
113.02334	15.0
119.03399	10.7
120.54319	1.6
123.04428	2.2
125.02319	11.9
125.09589	3.9
126.68889	1.7
135.08099	2.6
143.03391	5.2
153.09138	16.6
153.69739	1.7
156.83495	1.8
161.04424	3.5
163.11143	5.3
165.12691	3.2
171.10165	36.9
178.09923	2.2
179.05550	6.9
185.11720	3.5
191.10696	2.0
197.11757	7.1
209.11763	45.4
210.12186	2.7
219.13928	1.8
221.06686	2.6
227.12967	1.7
235.08174	9.3
236.28088	1.7
238.12103	2.3
245.19038	2.3
253.09117	2.0
255.23268	100.0
256.23608	4.6
287.07568	2.2
289.18021	14.2
296.75662	1.8
297.20706	3.7
305.08887	2.1
307.19144	75.3
308.19452	5.7
323.09998	2.9
325.20163	57.4
326.20581	3.1
379.12402	8.8
397.13486	79.6
398.13821	2.3
415.14517	19.0
635.36829	2.5
653.37598	6.7
687.31976	7.6
688.32837	2.3
705.33435	11.3
723.33807	2.1
874.49023	4.2
943.56049	27.2
944.56158	5.2
961.57422	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	961.5376
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.1
69.04824	0.3
71.01250	15.9
72.99181	1.7
73.02814	2.5
75.00736	0.4
81.03334	1.0
83.01254	1.9
83.04871	0.4
85.02821	4.3
87.00757	3.6
87.04356	0.5
89.02312	13.8
93.68707	0.3
95.01256	1.3
96.95892	0.5
97.02822	2.4
98.20525	0.9
99.00747	0.9
99.04395	0.5
101.02319	13.0
111.04435	0.5
113.02324	6.7
119.03385	3.8
121.02796	0.3
124.01510	0.4
125.02326	6.5
131.03377	0.6
133.04970	0.5
139.03937	0.5
141.01762	0.5
143.03427	2.7
145.04968	0.4
149.04419	0.8
161.04469	3.4
167.03424	0.4
167.10658	0.4
167.14284	0.5
179.05515	4.4
183.13821	6.9
183.15340	0.5
193.12242	2.1
203.05569	0.5
211.13329	100.0
212.13695	3.3
217.07140	1.0
221.06560	1.2
229.69682	0.4
235.08174	5.6
253.09312	0.7
259.08231	1.1
259.20764	0.3
263.07602	0.5
277.21704	61.1
278.22021	3.1
287.07581	1.7
301.09198	0.4
305.08759	2.3
319.22546	0.4
323.09729	1.4
379.12424	13.2
380.12784	0.5
397.13474	46.4
398.13861	1.6
415.14548	8.1
416.14944	0.6
441.09344	0.3
459.82278	0.3
571.77533	0.3
591.26550	7.3
592.26398	0.6
609.27472	4.8
646.94464	0.3
657.35199	2.5
675.35931	5.2
676.35956	0.9
869.49323	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	961.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	3.8
71.01260	27.3
71.15561	3.8
72.99204	2.6
73.02845	3.4
75.00706	2.2
83.01254	4.4
83.04915	2.2
85.02812	6.7
87.00747	6.2
89.02309	19.8
96.95894	7.8
97.02814	6.0
99.00803	2.4
101.02338	16.7
102.12135	2.1
111.08037	6.8
113.02306	8.4
119.03387	4.2
125.02343	12.6
129.01773	3.0
143.03328	2.9
161.04471	3.8
163.11172	1.9
165.12868	2.2
169.12238	4.5
171.10147	3.1
179.05511	5.4
182.38664	2.0
183.13805	9.8
193.12227	3.5
197.11749	37.2
199.13226	4.1
209.11823	9.9
209.13544	2.3
211.13330	100.0
212.13708	5.4
221.06587	3.3
227.12834	5.8
235.08179	7.3
263.20154	2.1
287.07980	2.3
291.19711	24.4
293.21280	12.2
309.20715	92.9
310.21054	4.6
379.12198	6.1
397.13501	48.4
398.13953	4.1
415.14627	17.5
503.33279	2.6
591.26221	5.0
609.27545	7.5
689.33417	6.3
707.35059	6.0
812.57715	2.2
901.46991	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	961.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.4
69.22390	0.2
71.01251	14.0
72.26097	0.3
72.99172	1.2
73.02821	1.8
76.43271	0.3
81.03324	0.8
83.01248	1.8
83.04869	0.4
85.02821	3.8
87.00754	3.7
89.02316	12.5
95.01227	1.1
97.02831	2.4
98.20555	0.8
99.00731	1.0
99.04407	0.4
101.02321	10.4
111.04411	0.3
113.01529	0.4
113.02319	7.0
115.03894	0.3
119.03369	2.9
119.36188	0.3
125.02332	5.9
127.03880	0.3
131.03339	0.9
133.04982	0.3
141.01610	1.2
143.03403	1.7
149.04517	0.4
161.04471	3.1
165.12770	0.6
167.10686	0.4
167.14314	0.7
173.49707	0.3
179.05527	4.3
183.13832	7.0
193.12311	1.7
194.90997	0.3
199.05959	0.4
207.04002	0.3
208.43581	0.3
211.13327	100.0
212.13649	3.5
217.07088	1.0
221.06621	1.4
229.62102	0.4
235.08173	4.5
253.09235	0.7
259.08237	0.7
263.07690	0.4
277.21701	48.3
278.22061	1.8
281.08755	0.3
287.07675	1.5
291.23303	0.3
301.08972	0.3
305.08829	1.8
323.09738	1.1
341.10620	0.3
361.11249	0.3
368.39941	0.3
379.12454	11.2
380.12735	0.6
397.13492	37.1
397.90155	0.3
398.13824	1.2
415.14621	7.1
415.19501	0.3
429.21637	0.4
591.26569	10.7
592.27081	0.6
609.27557	9.0
610.27740	0.8
657.35089	2.1
657.97717	0.3
675.35864	2.6
869.48810	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	955.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
66.73135	1.6
70.12308	7.1
71.01234	4.3
93.03349	1.9
98.19851	2.7
101.01682	1.8
101.02317	2.5
103.83208	1.9
107.01264	11.2
111.00739	3.2
117.03345	3.0
119.04911	35.9
123.00780	15.5
125.02327	77.7
139.00279	4.4
140.01024	4.2
141.01845	2.0
145.02831	7.4
146.19699	1.7
151.00243	9.8
163.03934	14.8
168.00526	2.8
169.01320	100.0
170.01639	4.9
210.06830	5.7
211.02353	2.0
211.07596	13.2
217.35529	2.1
257.02438	2.1
265.08575	3.1
313.05624	53.4
314.06238	2.6
459.09055	3.0
477.10349	13.3
525.14075	13.4
785.18854	5.9
937.20197	38.0
938.20428	5.7
955.21692	11.6
956.21631	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	955.548
Annotation	Unknow
Peak:m/z	Relative Intensity
68.77722	3.8
71.01236	21.1
71.56229	5.7
85.02800	4.6
87.00713	5.8
88.98667	19.2
89.02319	18.1
89.21976	3.8
97.29570	3.7
101.02319	13.1
104.27563	3.5
113.02298	6.9
114.32628	4.0
116.92735	12.6
125.02309	6.7
209.11745	100.0
210.12184	4.9
227.12854	13.6
235.08182	8.5
255.23232	48.0
379.12106	19.9
397.13452	35.6
415.14713	7.9
653.37732	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	959.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	1.4
70.71989	2.0
71.01236	2.5
72.99177	21.5
75.00731	0.8
80.02506	0.9
83.04887	2.6
84.02043	0.8
84.99169	1.1
85.02817	0.9
87.00738	4.2
88.98656	3.0
89.02323	0.9
100.98651	2.3
101.02290	2.1
101.96855	0.7
103.00240	8.1
108.02022	0.7
109.02845	1.0
113.02267	1.0
121.02813	2.2
122.03638	3.5
123.04395	1.4
135.04407	1.8
137.02304	2.0
146.03630	7.8
146.99217	2.8
147.04405	2.4
149.00812	1.0
149.02368	0.8
150.03139	1.1
151.03882	1.0
159.04404	4.4
160.05161	1.9
161.02350	1.6
161.05946	2.4
162.03081	2.0
162.06776	1.9
163.03905	1.3
163.11172	1.7
165.12744	0.9
172.05257	4.2
173.05922	2.1
174.03169	4.5
175.03903	7.7
176.04659	5.8
178.02634	1.4
179.03316	1.2
180.04276	1.1
185.05933	0.9
186.06735	1.6
187.03949	3.8
188.04698	6.3
189.05479	3.5
190.06277	13.5
200.04706	6.4
201.05431	2.2
204.04170	1.9
209.09856	1.4
209.11751	19.5
210.12216	1.1
211.13292	4.5
212.04703	1.3
213.05203	0.8
217.12228	1.9
226.06229	1.6
227.12762	1.0
243.13737	0.7
259.13373	2.7
269.11801	1.6
270.03854	1.8
271.13379	10.7
283.13397	9.7
284.13818	0.9
285.15002	1.6
287.13199	0.9
287.16513	2.4
289.14499	3.3
295.13385	1.2
297.14868	3.0
299.12994	4.5
301.14383	9.6
311.12811	2.6
313.14401	5.4
315.15991	26.9
316.16241	1.8
325.14389	8.0
326.14819	1.1
327.15982	2.3
329.13876	4.7
331.15335	1.2
333.16971	6.2
337.14444	3.3
343.15378	5.8
345.17020	0.8
355.15347	3.8
357.16855	0.8
361.16422	1.3
369.13330	0.9
373.16498	2.8
541.75793	0.8
627.26642	1.1
631.46686	0.8
654.06982	0.8
747.34961	1.3
765.36890	1.3
821.39661	1.6
833.35950	1.5
837.38873	6.5
883.40179	1.5
927.38293	8.6
928.39508	2.0
941.40503	2.1
942.39783	1.0
959.41180	100.0
960.41486	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	953.4509
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03315	1.3
71.01246	14.2
72.99188	1.9
73.02805	2.1
80.02504	2.0
80.96391	1.4
81.03317	1.5
83.01242	1.3
83.04887	3.9
85.02807	3.6
87.00739	3.2
89.02308	16.7
96.95881	5.6
97.02838	3.1
98.20641	2.5
99.88740	1.3
101.02318	12.2
104.90331	1.2
111.08027	2.9
113.02343	6.3
116.92741	8.9
116.97101	1.9
119.03397	4.3
125.02355	7.7
125.09598	1.6
126.74698	1.3
137.02293	1.6
143.03328	2.9
152.76743	1.3
161.04454	5.8
163.11180	2.1
165.12729	3.6
169.01306	1.4
171.10170	1.5
175.02434	1.5
179.05565	7.4
185.87701	1.4
195.17213	1.3
197.11755	15.2
201.11212	1.9
209.11758	94.7
210.12062	4.9
211.13263	8.3
227.12834	29.3
227.15086	1.8
229.48172	1.7
235.08203	5.7
287.07736	1.5
291.19632	23.2
309.20685	100.0
310.20987	3.7
327.21408	1.6
379.12375	6.7
397.13461	63.6
398.13705	3.5
398.73312	1.6
415.14514	18.1
589.25146	2.9
607.26160	7.7
689.33606	4.8
707.34906	7.9
748.50360	1.4
899.46149	5.7
953.45068	38.3
954.45642	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	953.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63738	5.4
71.01254	30.8
72.99180	6.1
78.95744	7.8
82.95283	18.7
87.00755	6.2
89.02306	17.7
96.95898	65.6
97.97424	5.0
101.02299	10.0
113.02365	12.5
115.00195	6.6
116.92739	16.8
195.13867	9.0
209.11784	9.9
211.13315	68.8
223.13258	7.5
291.19550	7.7
293.21222	100.0
307.19083	9.9
309.20636	5.8
312.91107	5.6
326.42047	5.5
397.13541	50.8
409.63318	5.4
415.14261	13.0
591.26312	11.0
609.27338	21.8
673.34259	7.9
691.35974	9.3
726.62476	6.8
831.35529	6.3
885.47845	9.5
953.48840	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
69.00751	0.3
69.03303	0.9
69.76054	2.1
71.01252	12.7
72.16811	0.4
72.99170	1.1
73.02817	2.1
73.53391	0.3
75.00739	0.5
77.45554	0.3
81.03342	0.8
83.01247	1.5
85.02815	3.1
87.00750	3.0
89.02317	11.1
95.01261	1.0
97.02814	1.5
99.00741	1.1
101.02316	9.6
102.47135	0.4
113.02341	5.5
113.09587	0.3
119.03389	3.5
121.10110	0.4
125.02323	4.1
131.03372	0.5
137.02364	0.4
141.01817	0.4
143.03391	2.4
149.04463	0.4
154.57736	0.4
155.29857	0.4
157.53027	0.3
161.04471	3.0
171.10204	1.6
179.05545	4.6
179.14334	0.5
194.14868	0.4
195.13831	5.7
196.14433	0.5
205.12340	0.7
211.13275	0.4
221.06618	1.6
223.13353	4.2
225.14844	0.5
228.13623	0.6
235.08163	4.9
253.09338	0.7
256.13147	1.3
265.21518	0.4
275.20120	6.0
276.20441	0.4
277.21704	36.7
278.21967	2.5
287.07800	1.3
293.21210	100.0
294.21539	5.7
305.08765	1.5
314.03116	0.4
317.21173	0.5
323.09778	0.6
379.12448	4.1
397.13474	29.3
398.13852	1.7
415.14557	11.8
416.15234	0.4
673.34131	0.9
675.36420	0.5
691.35309	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03309	1.1
71.01250	16.7
72.99189	1.0
73.02834	1.7
81.03311	1.2
83.01255	1.8
85.02812	4.0
87.00759	4.9
89.02311	13.5
95.01250	1.6
97.02823	3.0
99.00771	0.9
101.02317	11.6
113.02318	7.0
119.03370	4.4
125.02332	5.9
129.76250	0.7
143.03412	3.5
161.04514	3.9
179.05484	3.2
183.80481	0.7
195.13806	5.4
199.05986	0.8
217.07272	0.9
221.06516	1.4
223.13329	4.6
235.08170	5.7
253.09135	1.0
256.12976	1.1
275.20221	5.2
276.20300	0.7
277.21689	42.8
278.22086	2.0
287.07758	1.2
293.21198	100.0
294.21588	5.5
305.08765	2.1
323.09949	0.8
379.12292	3.9
397.13474	39.0
398.13647	2.8
415.14468	11.6
524.19440	0.8
548.78052	0.7
675.35889	1.3
741.75006	0.8
902.00677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.215
Annotation	Unknow
Peak:m/z	Relative Intensity
74.91304	0.8
83.01239	0.8
95.01264	1.1
96.00790	0.8
98.02303	0.7
98.19653	1.5
101.28409	0.7
107.01272	3.0
109.02821	5.9
111.33629	0.7
121.02815	1.7
123.00758	1.0
124.01527	0.7
125.02325	2.6
133.02893	1.0
134.02385	2.1
135.00792	1.0
137.02351	5.1
139.03952	1.1
146.26477	0.7
147.00778	0.9
148.01563	8.7
149.02351	5.7
150.03047	0.8
151.00267	9.3
161.02373	1.8
162.01888	3.1
163.00249	4.1
163.03926	1.2
164.03429	3.1
165.01927	1.0
169.01395	1.9
173.06015	0.9
175.00253	2.6
175.03873	1.0
176.01070	1.1
177.01862	19.3
178.99747	5.6
186.01804	3.4
187.03879	1.5
189.01953	1.0
190.01396	1.7
191.02055	1.2
193.01340	1.4
199.03917	1.3
200.04723	0.7
202.01225	0.9
202.99760	2.8
203.01857	0.9
203.03577	1.0
204.02953	11.7
208.02368	1.1
214.01360	4.1
222.04039	1.5
227.03513	2.0
230.00841	5.4
233.04498	1.9
243.02965	4.3
245.04485	2.2
250.05057	0.9
255.02988	5.8
259.02496	1.0
270.01697	1.2
271.02454	16.7
272.03030	3.2
273.04007	2.5
283.02512	0.7
285.03964	2.0
287.01944	2.0
288.02533	0.8
291.05209	0.9
294.04117	2.1
295.08282	1.0
296.05542	2.0
298.03552	1.5
299.01941	4.4
300.02676	18.2
301.03491	11.9
312.05328	1.1
313.03534	3.3
315.04630	1.1
316.01993	4.8
317.02997	8.1
322.03571	3.0
327.07187	1.4
330.06390	1.5
339.03668	2.3
339.07321	3.1
340.00705	1.3
340.04587	14.6
341.04730	0.8
357.04935	7.1
358.05637	9.0
368.09827	13.1
369.09760	0.8
394.07770	15.0
395.07910	1.2
446.08707	1.3
447.09323	27.7
448.09622	2.2
461.10583	0.8
463.08884	5.3
486.10641	6.5
502.09982	2.7
503.10095	2.2
504.11484	100.0
505.11816	7.9
530.69940	0.7
638.78052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
70.64151	3.8
71.01252	26.5
71.56876	4.2
72.97459	3.1
75.00763	4.0
78.95787	11.2
79.95632	4.7
83.01270	4.9
83.04910	7.8
85.02835	4.8
87.00752	10.6
89.02327	20.0
95.01259	3.5
96.95888	100.0
96.96883	10.7
97.02831	3.7
99.00751	6.5
101.02324	17.6
109.06467	4.5
113.02308	9.7
119.03422	6.2
125.02342	6.0
125.09607	5.3
133.01323	3.5
151.03926	11.3
151.07523	30.5
152.08336	15.4
153.19843	3.5
160.36919	3.5
161.04471	5.6
163.11192	10.4
163.23244	3.5
165.12726	3.1
169.01416	3.8
171.10233	6.3
173.47838	3.3
175.02362	7.5
179.05556	13.8
183.13873	4.7
185.11824	4.5
200.32587	3.4
207.10091	8.4
209.11769	96.2
209.15321	32.8
210.11987	4.9
211.13370	65.6
223.13284	8.0
225.11307	6.6
227.12816	34.3
235.08269	4.7
245.19049	5.4
252.10054	5.8
253.09245	6.0
256.73880	4.1
265.18234	6.9
289.18082	43.3
290.18634	5.3
291.19653	25.9
307.19174	53.1
309.17081	52.6
309.20721	45.4
327.21796	6.1
397.13535	53.8
415.14694	19.3
447.22363	9.3
607.25787	6.2
623.34546	8.1
687.32251	5.8
756.93219	3.9
877.38605	4.1
915.45276	6.4
951.43683	35.8
952.44025	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	949.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	2.1
71.01250	16.4
72.99181	1.0
73.02816	1.6
75.00754	0.6
78.95775	3.8
79.43500	0.6
79.95610	3.2
80.02544	1.1
81.03324	2.3
83.01263	2.2
83.04892	5.9
84.02052	3.2
85.02814	3.5
87.00748	3.8
88.98608	0.5
89.02311	11.4
93.03306	0.6
94.43442	0.5
95.01282	0.8
95.04904	1.5
96.95886	76.4
96.96878	2.9
97.02824	2.3
97.06459	6.8
98.20566	1.2
99.00771	1.1
99.04389	1.1
101.02322	10.2
106.39523	0.5
109.02840	0.8
109.06486	1.0
111.04342	0.5
111.08015	0.6
113.02325	5.6
119.03362	2.8
125.02328	5.0
125.05949	0.6
125.09596	1.7
127.11164	1.0
131.03366	0.7
135.08069	0.7
137.02324	0.8
137.09647	1.1
139.03941	0.8
141.01851	0.7
143.03421	1.4
149.13202	0.6
161.04486	2.4
163.11177	3.9
165.12758	3.3
167.21075	0.5
171.10184	12.2
179.05531	4.2
181.12318	0.9
183.13817	0.8
185.11723	1.0
191.10696	1.1
193.12276	7.9
197.11700	1.0
201.11226	3.9
207.10205	1.0
209.11761	72.0
210.12119	2.4
211.13347	3.8
217.06931	0.5
221.06610	1.6
221.11780	1.2
225.11273	1.9
225.14888	11.6
226.15317	0.7
227.12836	8.2
229.32672	0.5
235.08125	4.3
243.15955	6.0
253.09077	1.0
287.07556	0.9
289.07373	0.6
289.18109	0.7
291.19531	1.3
305.08728	1.4
305.17719	0.9
305.21106	0.7
305.41180	0.5
323.22305	1.3
325.20190	3.0
341.23285	100.0
342.23657	5.7
379.12326	1.6
397.13452	27.7
398.13840	1.2
415.14539	11.6
533.34698	1.4
551.35223	0.5
607.26123	1.8
664.70648	0.7
696.38843	0.7
721.36737	2.0
739.37555	1.9
786.42914	0.6
890.80176	0.5
922.79718	0.5
949.46771	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	2.0
69.79003	1.4
71.01253	23.2
72.01635	1.3
72.99186	2.5
73.02817	2.1
73.71368	1.4
83.01272	2.7
85.02818	4.6
87.00765	4.6
88.98674	1.8
89.02309	20.0
96.66619	1.3
97.02824	3.1
99.00787	1.5
99.52357	1.6
101.02315	17.8
105.23158	1.2
113.02302	8.5
119.03377	5.1
120.05884	1.5
125.02364	6.0
133.98341	1.4
141.01620	8.5
143.03447	4.2
161.04477	5.7
169.12306	7.0
179.05516	4.7
185.11676	2.1
197.11761	100.0
198.12045	4.8
199.13371	1.8
199.44984	1.4
209.11758	5.5
211.13417	3.5
227.12923	1.8
235.08162	4.7
277.21722	65.7
278.22040	4.7
279.23230	2.8
305.08701	2.2
379.12451	16.2
397.13510	52.0
398.13831	4.7
415.14661	8.6
510.69870	1.7
577.24890	8.1
595.26056	5.8
596.83319	1.5
657.34644	3.6
675.35773	2.8
686.03687	1.6
950.24652	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	948.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01243	38.2
72.07154	13.3
87.00755	15.3
89.02294	19.4
92.31230	15.1
96.95881	47.1
98.19786	41.3
170.64426	13.2
209.11768	100.0
210.12111	39.5
227.12865	18.1
277.21649	56.8
278.22208	31.8
295.84790	13.2
397.13431	60.7
398.13855	24.5
399.13791	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	948.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53270	89.2
71.01266	41.4
89.02317	17.8
96.95892	75.2
97.32462	10.6
101.02309	15.4
108.23331	11.1
154.49786	11.8
188.46153	11.8
195.76697	10.9
209.11804	100.0
210.12105	36.0
227.12930	20.1
251.19403	12.1
277.21719	52.4
278.22116	31.2
279.22195	14.7
286.39676	12.7
397.13501	36.5
398.13983	14.8
408.03543	13.9
508.97897	13.5
757.86963	14.1
782.12091	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	949.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84006	5.1
69.84404	4.2
71.01250	25.3
72.99184	4.2
73.02843	2.2
75.00719	3.9
75.03867	1.9
78.95767	3.7
80.02634	1.6
80.27038	1.8
81.03325	3.1
83.01262	1.9
83.04884	4.2
85.02837	7.7
87.00761	5.0
89.02316	16.5
95.01296	1.8
96.95872	9.3
97.02824	6.4
101.02328	13.9
111.08064	5.4
113.02343	7.2
115.00294	3.0
119.03375	4.5
119.99623	1.8
121.02832	1.8
125.02312	8.1
125.09624	2.7
129.01831	12.9
130.02188	1.9
135.02895	5.1
143.03477	2.4
161.04457	4.0
163.11198	4.9
165.12769	4.8
169.12192	3.3
171.10173	8.3
174.01541	2.9
175.02357	2.7
179.05560	5.5
181.12254	2.9
197.11761	24.8
199.13435	2.1
207.10193	2.6
209.11763	100.0
210.12088	5.2
211.13321	10.3
214.68715	1.8
221.06604	1.8
225.11276	2.4
227.12833	17.0
235.08171	3.1
247.20589	1.9
253.09171	2.3
289.18027	1.9
291.19641	23.0
292.20056	2.0
309.20724	78.8
310.20996	4.3
331.95996	2.0
379.12451	4.9
397.13486	43.2
398.14136	1.9
415.14667	13.4
571.94299	2.1
607.26282	4.0
707.35077	3.8
949.47156	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	943.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03314	2.6
69.86642	6.8
71.01254	19.2
71.01614	1.9
71.04875	3.2
72.99170	2.9
73.02823	3.3
75.00726	1.6
78.18492	1.1
78.35206	1.2
78.40362	1.1
78.95765	1.3
81.03319	1.4
83.01257	2.0
85.02822	6.1
87.00738	7.6
89.02309	10.6
95.01260	1.5
97.02834	12.9
97.06461	3.1
99.00750	28.4
101.02323	12.2
105.01815	1.5
109.06477	2.8
110.03625	2.5
113.02333	8.6
119.03365	1.8
123.08051	2.4
125.02312	6.3
125.09622	9.5
135.08018	1.6
142.02676	2.2
152.99324	1.2
161.04469	2.3
163.11182	12.2
179.05490	2.9
181.12254	21.4
197.11714	1.4
199.13341	3.3
207.10199	52.7
208.10513	3.8
209.11729	1.4
223.13210	1.7
225.11270	87.5
226.11609	4.9
235.08148	3.3
236.52295	1.2
243.09854	1.7
243.12344	29.3
244.12560	1.3
277.21701	62.2
278.09601	1.2
278.22107	4.3
300.99792	3.7
301.03278	2.2
379.12503	3.1
397.13486	14.1
415.14468	2.7
605.24371	23.9
606.24664	2.7
623.25507	10.5
624.25696	2.6
675.36096	1.7
883.46960	100.0
884.47192	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	945.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03317	0.9
71.01247	14.7
72.99174	2.1
73.02790	2.3
75.00741	3.7
83.01269	1.0
85.02833	3.1
87.00758	3.9
88.98688	2.9
89.02319	11.3
92.92693	1.1
95.01232	1.3
96.95872	1.7
97.02823	1.6
98.20519	3.7
101.02321	11.2
109.26503	1.1
111.08008	1.1
113.02319	5.5
119.03394	3.0
125.02309	6.3
137.57162	1.0
143.03363	1.4
161.04460	2.9
167.03418	1.3
179.05507	3.9
183.13820	4.5
193.12276	1.5
195.13815	7.0
201.90327	1.0
209.11812	2.3
211.13326	76.1
212.13675	3.0
221.06578	1.9
223.13287	5.6
229.76888	1.2
235.08122	2.8
256.13159	1.3
275.20175	5.1
277.21707	1.5
287.07910	1.2
293.21207	100.0
294.21564	5.6
305.08707	2.7
323.09781	1.2
379.12335	4.8
397.13461	37.0
398.13837	2.7
415.14532	10.3
591.26581	3.4
609.27429	7.8
627.06738	1.0
673.34442	4.2
691.35736	4.2
885.47778	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	947.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03309	2.0
71.01246	13.4
71.56256	1.0
71.56664	0.9
72.99176	2.0
73.02815	2.5
78.95760	1.1
83.01254	1.7
83.04932	0.8
85.02807	3.6
87.00757	4.9
89.02311	13.6
95.01267	1.1
97.02805	2.5
99.00747	1.3
101.02316	11.0
113.02317	7.6
119.03376	2.9
125.02328	6.1
132.29762	0.8
133.60779	0.8
139.03845	0.9
143.03351	2.3
153.12704	1.2
161.04456	2.9
167.03337	0.8
169.12282	6.4
171.10185	1.0
179.05536	2.7
197.11752	100.0
198.12085	4.2
204.29301	1.0
206.66238	0.8
209.11728	1.7
211.13324	1.5
217.07056	1.4
221.06569	1.0
224.28342	0.8
235.08189	5.0
253.09235	1.0
277.21710	45.2
278.22006	3.0
287.07819	2.6
302.04996	0.8
305.08710	2.1
323.09637	1.5
379.12442	12.8
380.12878	1.4
397.13461	38.8
398.13858	2.5
415.14471	7.9
577.24994	8.3
578.25085	1.5
595.25977	9.8
596.26636	1.0
657.35016	1.4
675.36029	2.2
789.91119	0.9
855.46930	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	943.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
68.22942	0.8
69.03331	1.8
70.80987	2.1
71.01250	21.5
71.04895	1.7
72.99182	1.2
73.02804	2.5
73.52348	0.8
75.00757	1.2
78.95781	1.9
81.03334	1.8
83.01258	2.6
85.02824	5.5
87.00765	7.8
88.98638	0.9
89.02309	10.1
95.01260	0.9
95.04877	1.0
97.02824	13.1
97.06464	2.2
99.00750	21.5
101.02324	11.5
109.06486	2.3
110.03592	1.5
111.04410	1.1
113.02325	7.0
119.03464	1.1
123.08062	1.3
125.02317	8.8
125.09613	6.1
135.08044	1.1
136.05194	1.7
137.26878	0.8
142.02597	4.1
161.04433	2.5
163.11189	12.4
177.10780	0.8
179.05557	2.5
179.10732	1.2
181.12260	22.2
189.09033	1.1
197.11772	1.1
199.13367	3.8
207.10196	65.0
208.10573	3.7
209.11821	1.1
211.13322	0.9
221.06711	2.0
223.13298	1.7
225.11269	100.0
226.11659	6.0
235.08141	2.6
243.12340	36.9
244.12685	2.0
263.07776	1.3
267.12405	1.3
277.21710	53.0
278.22125	3.7
287.07721	1.8
299.15173	0.9
305.08789	0.9
317.16025	3.3
325.88962	0.8
329.77829	0.8
335.17575	0.8
379.12427	1.5
397.13492	8.0
415.14490	1.9
441.97473	0.8
461.20294	1.5
513.19843	0.9
605.24457	27.3
606.24469	4.1
623.25488	31.4
624.25977	3.7
675.36053	1.0
883.46918	90.2
884.47186	18.3
916.68646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41134	7.1
78.10303	0.8
87.77225	0.8
98.20547	1.7
107.01237	1.6
109.02861	1.1
109.99979	5.0
111.00761	2.0
121.02810	0.9
123.00753	2.2
125.02333	2.7
137.02408	0.9
137.99440	1.6
139.00266	6.6
151.00233	5.0
158.95206	0.9
163.00252	1.8
163.74736	0.8
164.01108	1.5
165.98993	5.7
166.99715	3.5
169.01306	3.3
178.99756	5.3
187.03857	1.3
199.03850	1.8
215.03358	1.1
227.03375	3.0
231.02873	1.0
242.02083	1.9
243.02837	5.9
244.03433	0.8
254.02390	1.0
255.03000	6.8
259.02383	1.7
270.01538	4.0
271.02451	32.2
272.02869	1.9
287.02017	14.1
288.02618	3.1
298.00815	0.9
299.01962	16.9
300.02725	27.8
301.03470	10.2
315.01590	1.8
316.02194	43.3
317.02930	18.2
318.03201	1.3
463.08813	34.4
464.08984	2.5
478.07550	2.2
479.08249	100.0
480.08679	10.5
502.09906	1.3
575.42444	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.419
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	6.8
71.57590	3.1
72.99178	31.7
75.11330	1.5
87.00760	6.3
88.98680	5.3
89.02316	1.8
93.03313	2.9
95.01228	1.9
96.95871	5.8
98.03794	1.7
100.98692	2.2
101.02299	3.4
103.00261	17.8
103.37247	1.6
108.02019	1.9
109.02769	3.8
112.62054	1.9
113.02312	2.7
119.04904	1.7
121.02856	12.2
122.03621	7.0
123.04426	6.3
125.02319	6.5
135.04404	3.9
137.02351	8.3
139.03999	1.8
141.01599	4.5
144.16040	1.7
145.02751	1.9
146.03676	10.8
146.99220	5.5
147.04393	5.3
149.02335	3.2
150.03140	2.7
151.03870	3.5
159.04451	4.0
160.05138	3.1
161.02377	3.7
161.06039	3.6
162.03099	5.2
162.06721	2.1
163.03851	4.5
171.10141	1.9
172.05231	5.4
174.03156	3.2
175.03909	8.3
176.04753	4.9
177.01721	1.8
179.03416	4.8
180.04236	3.6
183.13815	3.5
186.06819	2.0
187.03987	3.4
188.04700	6.9
189.05489	3.8
190.06290	13.6
193.12292	1.8
200.04700	6.7
204.04118	2.1
209.11766	7.1
211.13326	38.0
212.04643	2.4
212.13881	1.6
237.14835	1.6
259.13409	3.5
269.11917	2.1
270.03772	3.7
271.13431	14.2
283.13385	11.1
287.12799	2.1
287.16501	3.7
289.14474	2.9
297.14914	5.0
298.18973	1.8
299.12790	6.7
299.16071	2.3
301.14444	11.3
311.12848	2.5
313.14407	5.4
315.15997	29.2
317.13849	2.4
325.14395	8.4
329.13931	4.5
333.17194	7.6
337.14493	3.0
339.98679	1.8
343.15479	5.4
353.14218	2.1
355.15442	2.3
357.17316	2.6
373.16388	3.3
611.26416	2.1
821.39563	6.2
911.39575	7.8
925.39636	5.8
943.41522	100.0
944.41589	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	937.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18633	1.0
71.01256	4.7
72.99187	1.1
73.02831	1.1
89.02311	1.6
96.95885	1.9
99.92446	9.6
101.02310	1.8
113.02311	1.6
116.92736	100.0
116.97128	3.0
117.00922	0.8
117.01785	2.0
117.92747	4.1
122.32616	0.8
123.17126	0.8
132.31371	0.9
133.01402	0.9
133.30545	1.0
149.19014	1.0
161.04462	1.8
205.86935	1.0
209.11787	1.1
211.13338	15.6
235.08118	1.6
255.23317	1.8
277.21707	10.8
307.19012	1.7
348.23322	0.9
356.30453	1.0
365.50580	0.9
379.12234	2.6
397.13452	7.8
415.14456	1.4
545.28571	1.0
591.26459	3.4
609.27612	4.1
657.34692	0.9
819.68701	1.2
869.49939	1.4
937.50122	8.4
938.50183	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	937.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01245	19.2
71.56501	9.6
72.99166	8.1
73.78574	6.5
74.25500	6.4
75.00740	8.3
89.02329	10.9
101.02286	8.1
108.99947	6.4
113.02329	9.6
114.03478	6.7
116.92736	67.8
124.76865	6.8
125.02299	7.3
125.22348	6.5
153.70514	5.8
158.08221	6.6
211.13321	100.0
277.21634	52.0
290.81647	7.2
379.12500	22.8
384.23279	7.3
389.02896	7.0
397.13626	49.0
415.14386	14.9
591.26685	14.4
609.27814	9.6
937.49139	49.1
938.49542	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	939.5531
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01246	17.1
72.22427	1.7
72.99210	2.9
73.02829	3.6
73.70539	1.5
80.46732	1.6
84.81351	1.7
85.02811	3.1
87.00758	2.8
89.02306	12.2
97.02839	2.4
101.02330	13.9
113.02311	6.6
116.92696	2.2
119.03385	2.9
125.02329	3.7
161.04457	4.3
179.05548	2.0
181.41254	1.7
183.13799	4.8
211.13324	100.0
212.13690	3.6
220.17500	2.1
229.64406	2.3
235.08148	6.1
255.23262	60.7
256.23746	3.6
287.07831	1.8
334.30789	2.4
379.12598	9.7
397.13528	34.7
415.14542	5.1
521.60803	2.0
591.26709	8.8
609.27637	4.0
635.36041	3.7
653.37183	9.1
847.51593	2.6
963.18744	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	941.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03301	3.4
69.86475	1.6
69.86871	1.1
71.01253	22.4
72.99167	2.2
73.02802	3.2
74.44916	0.5
75.14693	0.5
83.01263	2.5
83.04889	0.5
85.02817	5.6
85.06448	0.6
85.70533	0.6
87.00746	6.0
89.02312	16.7
95.01247	1.6
97.02816	3.0
99.00772	1.2
101.02314	15.8
104.09309	0.5
109.06447	0.6
113.02322	9.3
114.02641	0.5
116.92767	0.6
119.03365	3.8
120.52480	0.5
121.02795	0.7
125.02340	7.0
131.02399	0.6
131.03374	0.9
137.94725	0.5
139.03906	0.7
141.04234	0.5
143.03426	3.1
149.04449	0.5
149.09616	0.6
159.62604	0.5
161.04445	4.2
167.10657	2.1
169.04868	0.6
175.94800	0.6
179.05548	5.1
179.10651	1.3
179.14305	3.3
195.13832	9.1
196.14037	0.7
205.12280	8.5
217.07127	1.1
221.06612	1.7
223.13333	100.0
223.56918	0.6
224.13715	3.9
235.08188	5.5
245.06708	0.6
253.09267	1.2
263.07596	0.8
277.21710	72.8
278.22049	4.3
287.07809	2.0
305.08768	2.2
323.09863	1.3
323.56293	0.5
379.12442	11.5
380.13034	0.7
397.13489	59.3
398.13849	1.8
415.14465	11.1
445.77731	0.6
549.83142	0.6
579.12323	0.6
603.26526	9.8
603.95563	0.6
621.27368	6.6
657.34979	1.8
675.35693	5.1
676.37555	0.5
722.90155	0.5
777.05817	0.6
881.49475	3.0
882.49811	0.7
946.70093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.5392
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03295	0.4
71.01252	13.5
72.01582	0.6
72.99177	0.3
73.02822	0.6
78.95764	3.4
79.95602	0.5
85.02812	1.0
87.00736	1.0
89.02327	2.2
95.01219	0.3
96.95888	5.6
96.96840	0.4
97.02802	1.0
98.95461	1.2
98.96310	0.5
99.00747	0.5
101.02342	2.4
113.02303	1.3
116.92712	0.5
119.03349	0.6
121.02797	0.5
123.04367	0.4
125.02319	1.1
127.07524	1.4
127.11203	0.4
148.05136	0.7
151.07526	0.6
152.08224	0.3
161.04434	0.4
161.75221	0.4
163.11194	0.5
164.08437	0.4
165.01848	0.4
171.10147	4.0
172.10614	0.6
177.09125	3.8
179.05492	0.6
185.11726	0.6
192.11459	7.4
193.12192	0.9
197.11787	0.9
199.09717	0.5
201.11256	2.1
202.11496	0.4
205.12286	3.7
207.10226	1.5
207.13780	2.2
209.11755	3.0
210.12082	0.5
211.13370	3.2
212.13745	0.4
217.08725	0.4
218.09380	2.2
220.14629	43.6
221.15411	100.0
222.15771	4.5
225.11244	2.3
226.11562	0.7
227.12852	0.6
235.08177	0.6
235.13345	2.4
236.10493	88.7
237.10945	3.5
243.12393	0.5
253.14647	0.5
291.19611	2.0
292.19849	0.7
293.17599	65.1
294.17914	2.7
309.20773	2.5
310.21124	1.4
311.21677	0.6
327.21973	0.5
341.23477	1.2
342.23840	0.6
343.24475	0.3
397.13657	2.8
398.13818	0.8
399.14008	0.6
415.14532	1.1
416.14960	0.9
417.15106	0.4
447.22159	0.4
623.34589	0.7
635.71533	0.3
748.87616	0.4
827.38684	0.4
935.48486	2.4
936.47937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.458
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36669	4.8
71.01264	19.6
71.57640	7.0
85.02815	9.1
87.00755	8.1
89.02335	9.2
96.95893	9.8
101.02291	15.3
116.92736	16.5
121.02776	7.2
125.02274	7.3
171.10208	8.2
172.92506	5.3
175.02353	14.4
183.13765	8.8
197.11790	34.6
209.11716	11.9
211.13348	56.2
219.10088	8.1
227.12886	11.6
233.11559	7.1
235.08331	7.7
253.09315	17.5
275.07355	12.6
281.63940	6.3
291.19745	26.7
293.21198	17.0
305.04666	5.2
309.20706	100.0
327.21732	19.5
379.11996	6.6
397.13495	47.2
415.14459	13.8
510.32007	5.8
545.30157	9.6
591.26202	8.8
609.27563	10.8
901.47748	17.2
937.45465	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28223	1.2
69.03332	1.4
71.01253	52.3
71.56238	1.4
72.99182	2.1
73.02821	3.3
75.00777	1.3
78.95781	3.1
79.95604	3.0
85.02813	4.2
87.00744	3.9
89.02311	10.3
94.92369	1.3
94.97945	1.9
95.01199	1.5
96.95888	100.0
96.96877	3.5
97.02831	4.7
99.00743	2.7
101.02314	9.9
109.06473	8.7
111.54563	1.2
113.02322	5.0
119.03389	2.3
125.02312	5.5
143.03380	2.1
150.10950	1.3
161.04436	2.5
163.11189	8.3
171.10153	7.5
175.72528	1.4
179.05545	3.9
181.12247	3.6
197.11676	1.8
199.09619	1.6
199.13431	1.7
201.11273	3.8
207.08316	2.6
207.10201	32.3
207.12163	2.1
209.11845	4.2
211.13211	2.5
225.11276	25.0
235.08075	2.7
243.12367	3.8
253.09279	2.0
255.23325	3.2
271.66977	1.4
277.21707	31.5
278.21957	2.8
305.08823	1.5
379.12479	2.6
397.13495	19.1
398.13553	1.7
415.14462	6.5
458.50616	1.4
565.23663	1.4
604.38519	1.7
605.23969	2.4
623.25146	3.3
649.56329	1.7
792.81744	1.6
883.47034	12.0
884.46649	6.2
901.47089	3.2
902.47217	1.7
933.50397	10.1
934.51099	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	935.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99701	0.6
69.03333	1.9
69.45772	3.1
71.01250	12.1
72.99171	0.9
73.02840	1.8
75.00771	0.5
80.02541	1.2
81.03327	1.8
81.44742	0.3
83.01251	1.5
83.04897	4.1
84.02042	0.7
85.02823	8.1
87.00739	2.5
89.01817	0.7
89.02316	8.4
93.03281	0.5
95.01247	1.5
95.04884	1.1
96.95884	8.8
96.96818	0.7
97.02850	2.4
97.06464	2.6
98.20518	0.7
99.00747	0.5
101.02323	8.5
109.06469	0.6
111.00794	0.4
111.04414	0.7
113.02329	4.8
119.03377	2.8
119.08600	0.5
125.02327	3.4
125.09592	0.7
127.11156	1.2
131.03346	0.6
135.08107	0.4
137.09612	1.9
139.03889	0.5
143.03395	1.5
145.02881	0.5
146.04514	0.4
149.04524	0.7
151.03976	0.4
153.09056	0.4
155.10664	0.8
161.04431	1.1
163.11194	4.4
165.12825	2.1
167.14322	0.5
169.01337	0.6
171.10179	20.3
172.10515	0.9
177.12785	0.8
179.05482	2.7
179.25378	0.4
181.12306	0.8
183.13818	2.5
185.11681	0.8
191.10651	0.8
193.12175	0.9
197.11914	0.4
199.13206	0.5
201.11223	1.0
203.10622	0.6
209.11765	56.4
210.12039	2.6
211.13333	10.7
217.07214	0.5
221.06575	1.4
221.11739	1.9
227.12848	6.3
229.14383	9.5
235.08191	3.3
239.12766	1.5
247.20728	0.4
253.09204	0.7
263.07697	0.4
287.07626	1.1
291.19736	3.6
305.08713	0.9
309.20706	7.7
323.09967	0.4
327.21759	100.0
328.22086	6.3
351.21625	0.5
379.12619	0.9
385.51682	0.5
397.13486	29.8
398.13760	1.5
415.09073	0.7
415.14569	13.3
416.14850	0.9
471.36655	0.4
519.33521	1.3
537.34692	0.7
607.26117	2.2
707.34888	4.3
708.35004	0.6
714.77124	0.4
725.35858	3.9
782.69336	0.5
809.86267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	1.5
71.01249	23.2
71.43624	1.1
71.43999	1.6
72.99184	1.9
73.02807	4.1
75.00735	2.3
78.95782	4.7
80.96389	2.0
81.03335	3.4
83.01261	2.6
83.04889	4.4
85.02824	4.6
87.00755	4.2
89.02321	13.1
91.20827	1.1
95.01249	2.0
95.04876	1.6
96.57512	1.1
96.95891	8.3
97.02831	1.4
101.02330	10.5
113.02328	8.8
119.03415	3.6
121.02806	3.0
125.02336	7.3
129.01801	3.4
133.04845	1.2
135.02817	1.4
143.03391	2.0
149.04527	1.3
161.04488	3.6
163.11194	4.7
165.01776	2.7
165.12749	3.4
171.10213	5.9
179.05573	4.7
195.13824	7.9
197.11771	2.2
199.13226	1.9
201.11258	1.6
207.10196	5.1
209.11760	87.1
210.12112	4.9
211.13383	6.1
212.13609	1.3
221.06540	1.7
223.13370	4.3
225.11284	3.0
227.12891	13.8
235.08241	5.1
253.09383	1.5
256.13315	1.4
275.20105	6.9
291.19653	4.9
293.21198	100.0
294.21506	6.4
305.08737	1.6
309.20779	7.1
325.23630	1.6
327.21878	1.7
341.23209	1.9
379.12347	4.2
397.13486	40.3
398.13696	4.2
415.14502	15.9
589.26031	1.5
607.25562	2.1
673.34283	2.1
691.35223	3.4
733.29163	1.4
933.46344	6.4
934.47583	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	933.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	39.1
71.57227	4.6
72.99192	2.3
73.02811	3.7
75.00730	3.6
76.01274	2.1
78.95776	10.2
79.95609	3.0
80.02563	3.2
81.03327	2.9
83.01263	2.6
83.04907	4.0
85.02826	5.2
87.00745	8.5
89.02322	14.2
96.95890	13.5
97.02822	5.1
99.00727	3.0
101.02312	17.8
109.06508	2.7
111.08051	2.8
113.02340	11.4
116.92748	2.6
119.03378	7.9
125.02304	6.7
126.38244	2.4
129.01810	5.7
145.04915	2.5
150.74457	2.5
157.61406	2.0
161.04407	4.9
163.11214	6.8
165.12755	4.6
171.10149	12.3
179.05493	4.4
181.12245	3.1
183.13788	10.7
184.14026	2.3
195.13823	4.7
197.11761	5.6
199.13362	3.7
201.11345	2.8
207.10233	2.7
209.11763	96.4
210.12148	5.9
211.13374	15.6
215.12865	2.7
221.06607	4.5
223.13359	6.4
225.11250	6.6
227.12787	16.6
228.13354	2.4
235.08165	8.5
275.20166	4.1
289.18085	3.2
290.17685	2.5
291.19705	7.1
293.21219	100.0
294.21503	9.5
299.71719	2.3
305.56339	2.4
307.19357	3.4
309.20682	11.4
310.21042	2.4
327.21640	5.2
328.82541	2.4
341.23169	4.9
379.12311	3.7
397.13535	62.2
398.13922	5.2
415.14612	18.9
594.74744	2.3
607.26251	4.1
897.78668	2.8
915.45331	3.9
933.46008	10.4
934.45471	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	933.47
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.8
71.01247	19.2
71.04915	1.8
71.57491	1.3
72.99180	1.9
73.02831	3.0
78.95753	0.8
80.02519	1.7
81.03313	2.3
83.01263	2.2
83.04883	7.3
85.02808	5.8
87.00755	4.1
89.02319	14.9
95.01259	1.5
95.04887	2.1
96.95885	15.5
97.02837	3.6
97.06464	2.6
99.00756	1.6
99.07997	1.0
101.02316	13.7
109.06464	5.7
113.02323	8.2
119.03399	3.2
124.01588	1.1
125.02330	7.0
125.05934	1.6
125.09574	1.5
131.03329	1.1
132.86252	0.8
135.08067	1.7
143.03394	1.5
151.11217	1.6
153.09117	2.7
161.04507	2.4
162.40320	0.9
163.11166	7.0
165.12787	5.0
168.22842	1.0
169.12234	1.3
171.10211	12.7
179.05560	4.3
181.12277	2.1
185.11742	2.1
191.10664	1.7
193.12242	1.1
197.11789	10.9
199.13312	1.8
201.11237	2.9
202.11868	0.9
207.10167	2.4
209.11763	100.0
210.12155	4.3
211.13304	8.9
221.06567	1.7
225.11156	2.9
227.12865	13.8
229.14699	1.3
235.08315	5.0
235.13368	2.6
237.14844	1.5
247.09593	1.0
285.99689	0.9
287.07770	1.4
289.18008	6.7
297.20792	1.0
305.08920	1.6
307.19171	20.0
309.20639	1.7
323.09778	1.6
325.20175	54.1
326.20575	2.8
327.21628	2.8
379.12424	2.8
397.13510	33.0
398.13971	1.5
415.14508	12.2
520.38202	1.0
705.33337	2.5
723.34326	1.6
759.09698	1.1
764.15936	1.0
897.44995	1.7
914.27667	1.2
915.45758	2.7
933.46283	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	931.5034
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58095	7.8
70.58439	7.0
71.01238	12.8
89.02307	8.6
101.02328	10.8
113.02316	8.1
125.02323	4.2
209.11757	100.0
213.14850	4.3
221.81689	3.8
227.12827	25.5
235.08197	4.8
255.23294	55.5
379.12381	31.1
397.13559	61.5
415.14319	9.1
589.25128	11.8
607.26007	7.1
635.36694	9.0
653.37225	16.6
845.48822	8.3
914.60852	4.7
931.50146	51.8
932.50183	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	933.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
68.32513	0.1
71.01240	0.3
71.57870	0.2
72.99155	0.1
78.95770	4.4
79.95605	3.0
79.96070	0.1
86.77323	0.1
96.95885	100.0
96.96777	5.8
97.95823	0.2
119.04906	0.2
121.02822	0.1
125.02330	0.3
145.02866	0.3
169.01384	0.2
171.10217	0.1
179.03456	0.1
188.42986	0.1
202.12045	0.1
202.18007	0.1
204.18027	0.1
209.11734	1.3
227.12726	0.1
265.07550	0.7
291.93417	0.1
307.08560	0.2
339.96381	0.1
376.58377	0.1
397.13528	0.2
427.88977	0.1
435.07880	0.2
453.09006	0.3
457.19339	0.3
627.19031	0.2
645.20502	0.5
895.94312	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	933.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99678	0.9
69.03333	3.4
71.01251	46.3
71.97145	0.8
72.99180	1.9
73.02820	6.7
73.08156	0.7
78.95780	5.2
79.95612	2.8
80.73798	0.8
81.03335	2.2
83.01254	2.7
83.04897	3.3
83.39138	0.6
84.02045	1.1
85.02821	8.5
87.00745	5.8
89.01814	1.5
89.02319	15.5
93.03301	0.8
95.01255	2.2
95.04906	2.0
96.95891	100.0
96.96769	4.8
97.02830	9.8
97.06473	3.2
98.72083	0.7
99.00768	2.1
101.02328	17.2
102.13389	0.9
109.02849	1.0
109.06473	4.8
109.88885	0.7
111.00719	0.9
111.04426	1.5
111.08045	2.9
113.02327	12.7
119.03376	6.2
119.48739	0.7
123.04458	1.5
123.07994	0.7
125.02332	7.3
125.09612	5.4
127.11158	2.3
131.03349	1.0
134.57951	0.8
135.04439	1.2
135.08067	1.3
137.09613	2.4
139.07516	2.0
141.01830	1.6
141.10924	0.6
143.03403	2.8
149.04532	1.0
149.09596	1.4
151.11278	1.0
153.12732	1.0
155.10710	2.1
161.04443	3.8
161.09615	1.6
163.11206	8.0
165.09155	2.0
165.12737	4.7
167.10657	1.2
169.12238	1.5
171.10187	35.7
179.05472	5.2
179.10675	1.1
181.12241	3.6
183.10248	1.0
183.13828	1.9
185.11734	3.7
189.09126	1.5
191.14316	1.3
193.12277	2.9
195.14014	0.7
197.11765	11.0
199.13345	1.4
201.11263	23.6
207.10217	15.4
209.11774	28.9
210.12206	0.9
211.13330	13.2
211.95464	0.7
215.12784	1.6
221.06734	2.0
221.39784	0.7
225.11269	36.0
225.14935	2.3
226.11723	1.5
227.12836	5.3
235.08234	4.8
243.12370	2.7
245.19077	1.8
247.20641	2.3
253.09215	2.0
263.07693	0.8
263.20154	0.9
287.07672	1.2
289.18130	5.7
291.19678	28.6
292.20099	0.7
293.21313	1.1
305.08948	1.7
307.19174	5.6
309.20712	60.1
310.21097	3.4
323.09833	1.7
325.20190	1.5
341.23303	19.4
342.23679	1.6
351.07220	0.7
379.12497	3.6
397.13501	37.6
398.13818	1.4
415.14514	15.2
439.14615	2.9
450.66040	0.9
605.24457	3.0
609.27704	1.1
623.25195	4.1
683.58136	1.0
689.33289	1.1
707.34906	2.3
879.44122	0.8
915.46008	5.9
933.46326	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	931.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03305	4.9
71.01250	25.0
71.04891	1.8
71.57676	1.1
72.99178	2.8
73.02810	3.7
75.00746	2.1
76.20342	0.7
81.03329	2.1
83.01272	2.7
83.04900	2.6
85.02823	10.6
87.00745	7.9
88.45345	0.6
89.02316	15.4
93.03339	1.2
95.01247	1.1
95.04897	1.6
96.95885	6.6
97.02820	4.3
97.06464	2.4
99.00755	1.3
101.02317	15.0
107.04908	0.8
109.02841	1.3
109.06493	3.3
111.00784	1.5
111.04445	1.5
111.08012	1.8
113.02338	8.3
115.00285	4.9
119.03384	4.3
121.02831	2.5
123.04442	0.9
123.08038	1.5
125.02321	7.4
125.09621	1.5
127.11155	1.7
131.03355	0.9
137.09625	2.8
139.03896	1.0
141.01654	1.0
143.03410	2.8
149.09648	1.5
155.10703	1.0
161.04488	2.0
163.11189	2.9
165.12720	1.8
167.10692	2.1
169.12271	1.6
171.10167	28.5
174.09236	0.7
175.02420	7.2
177.12767	1.5
179.05499	5.0
179.10710	1.2
179.14311	2.7
181.12251	2.5
183.13818	3.0
185.11656	1.6
191.10709	0.7
191.14346	0.9
193.12238	1.5
195.13838	7.5
197.11749	8.4
201.11229	7.5
205.12344	4.5
207.10178	2.8
209.04526	1.6
209.11758	20.3
210.12148	0.9
211.13329	17.9
212.13531	0.7
215.41710	0.8
221.06613	2.1
221.11757	3.2
223.13344	33.7
224.13696	1.6
225.11275	7.8
227.12863	4.3
229.14368	11.4
235.08208	4.2
235.13373	1.2
239.12859	2.6
241.14494	1.4
243.12318	1.2
247.13434	1.9
248.69479	0.7
253.09225	2.2
265.14435	1.1
267.42499	0.8
287.07782	0.9
287.16495	1.2
289.07205	1.1
289.18073	13.1
290.18372	1.0
291.19614	5.8
297.20404	0.7
305.08691	1.6
305.17560	3.5
307.19110	3.4
309.20703	13.1
310.21115	0.9
319.63715	0.7
323.09930	1.0
327.21750	100.0
328.22076	5.8
379.12460	2.2
397.13470	44.8
398.13815	3.1
415.14581	17.8
416.14883	1.2
528.63470	0.9
533.34888	2.3
607.26794	0.8
621.27588	13.1
622.28448	1.7
623.25775	0.9
707.34662	4.6
725.35004	3.6
751.42328	0.8
769.43176	0.9
898.03766	0.9
913.44458	1.6
931.45563	7.9
932.46564	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03301	1.2
70.56437	0.4
71.01248	11.2
71.37566	0.8
72.99179	1.2
73.02818	1.5
75.00735	0.6
81.03311	0.5
83.01264	1.2
83.04897	0.5
85.02791	2.8
87.00740	2.1
88.76139	0.4
88.98656	1.1
89.02316	6.9
95.01232	1.0
96.95883	1.4
97.02858	1.2
99.00745	1.0
101.02319	7.2
110.16043	0.5
111.00716	0.4
113.02317	3.9
116.00590	0.5
119.03382	1.5
121.02815	0.8
125.02318	2.9
126.36330	0.5
141.01666	0.5
143.03339	0.7
161.04428	1.3
167.14304	0.8
171.10052	0.7
179.05513	1.9
183.13829	7.3
193.12268	1.9
209.11809	1.0
211.13326	100.0
212.13647	5.0
221.06638	0.5
221.11765	1.2
223.13388	0.6
235.08253	3.1
239.12849	0.7
253.09160	0.7
289.18085	1.3
301.74777	0.5
305.08676	0.9
323.09656	0.7
350.05212	0.5
354.41425	0.5
379.12445	5.0
397.13452	17.0
398.13852	0.9
415.14624	3.2
429.21033	0.5
455.00262	0.5
591.26520	15.5
592.26825	2.0
609.27618	12.8
610.27985	1.5
785.39478	4.9
786.39410	1.1
803.40668	6.2
804.41516	0.9
960.64337	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
67.98003	2.0
69.03314	2.5
71.01249	8.2
75.00742	3.6
85.69088	2.3
87.00772	4.3
88.98672	43.7
89.02307	10.2
96.95908	4.0
97.06457	7.9
98.20634	5.1
101.02315	7.8
103.06032	2.3
113.02348	2.8
113.61316	2.3
125.09566	4.2
133.46309	2.2
163.11177	3.3
171.10162	12.0
185.11720	4.4
191.14354	5.1
193.12234	7.4
197.11795	2.5
207.10391	2.5
209.11769	10.5
211.13326	6.4
223.13292	8.5
225.11279	3.3
225.14915	14.0
235.08240	4.8
243.16000	5.7
245.19006	10.2
253.09225	19.4
289.18082	44.4
307.19125	48.6
308.19458	3.9
323.22229	6.3
336.47729	2.3
341.23297	100.0
382.98032	2.2
397.13364	4.2
577.31464	3.0
905.73438	2.4
927.48322	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	929.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	0.9
69.38464	2.5
69.38892	1.6
71.01254	16.6
72.99155	1.2
73.02825	2.7
81.03331	0.8
83.01244	1.6
85.02824	3.9
87.00756	4.5
89.02312	12.8
93.03288	0.8
95.01241	1.5
97.02818	2.3
99.00745	1.6
101.02322	11.9
109.02892	0.7
113.02328	7.7
119.03429	3.1
121.28732	0.4
125.02332	6.7
132.79535	0.5
143.03391	1.8
161.04460	3.8
167.10541	0.6
167.14278	0.7
179.05542	4.9
183.13811	6.3
184.14111	0.6
191.91446	0.5
193.12317	1.8
199.06023	0.8
211.13335	100.0
212.13689	5.0
217.07146	1.2
221.06627	1.0
235.08180	4.9
245.06635	0.8
253.14644	0.7
259.08051	0.9
277.21719	59.8
278.22079	4.1
287.07700	2.1
291.23248	0.6
305.08749	2.3
319.15085	0.6
323.09799	1.4
379.12439	11.4
380.12637	0.9
397.13489	44.4
398.14014	2.6
415.14612	9.4
572.95514	0.6
591.26532	6.0
592.26538	0.5
609.27502	5.7
610.27838	0.7
657.34943	1.9
675.36023	2.5
869.48712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00208	1.3
70.45541	0.4
71.01271	1.4
79.01765	0.6
83.01250	0.5
85.02892	0.5
95.01277	1.5
97.02856	0.8
98.20567	0.9
101.02319	1.1
107.01270	4.4
108.02061	0.7
109.02849	1.4
111.00791	1.4
113.02382	0.5
121.02862	1.8
123.00777	9.5
124.01620	0.8
125.02338	10.8
127.00204	0.8
136.98703	0.7
139.00252	2.5
139.03949	0.6
140.01059	2.4
141.01837	1.3
148.01627	0.5
151.00273	15.5
153.01872	0.6
163.00272	2.2
163.03902	0.6
168.00551	2.5
169.01334	16.2
170.01694	0.5
177.03986	2.1
178.99751	3.9
187.04161	0.4
211.02333	1.3
211.04099	0.8
226.02525	0.5
227.03461	1.2
229.05042	0.9
243.02899	4.5
244.03384	0.5
245.04526	1.0
254.02121	0.9
255.02956	11.4
256.03598	0.6
257.04562	0.5
271.02423	22.6
272.02905	1.7
273.04037	1.2
283.02563	1.6
299.02051	0.6
300.02740	46.3
301.03482	35.7
301.08490	0.6
302.03790	2.3
313.05591	0.9
329.05173	1.1
427.37384	0.6
438.20999	0.4
447.09296	65.0
448.09692	5.0
483.18698	100.0
484.19150	9.0
506.92960	0.6
588.78497	0.5
656.17133	0.5
768.95209	0.5
770.50940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00172	0.7
71.45214	0.3
80.86439	0.2
83.01247	0.5
84.83398	0.1
91.01742	0.2
92.09860	0.2
92.26871	0.1
93.03335	0.3
107.01266	2.3
108.01456	0.1
108.02063	0.9
109.02835	1.0
121.02834	1.3
125.02324	0.3
128.99706	0.1
133.02727	0.2
135.00745	0.6
137.02316	0.3
148.01582	0.9
149.02339	0.3
150.55611	0.2
151.00269	8.1
152.00659	0.2
153.01830	0.3
158.03566	0.1
159.04498	0.2
161.02411	0.2
163.00244	1.8
164.01012	0.6
165.01762	0.2
169.01387	0.8
169.02559	0.1
178.99776	3.3
183.04398	0.2
187.03908	0.3
189.02002	0.2
190.99768	0.3
192.00613	0.3
193.01434	0.2
196.17612	0.1
198.03206	0.2
199.03842	0.4
201.05507	0.2
203.03442	0.3
211.03951	0.6
214.02663	0.5
215.03458	0.5
216.04195	0.4
226.02686	1.0
227.03403	1.8
228.03821	0.3
229.05011	0.6
242.01979	0.2
243.02940	6.8
244.03497	0.6
245.04494	0.9
254.02167	1.9
255.02951	17.7
256.03351	1.2
257.04440	0.5
258.74484	0.2
259.02527	0.5
270.01807	0.8
271.02454	41.2
272.02908	3.2
273.04041	0.8
283.02475	0.9
287.01868	1.6
288.02606	0.2
299.01965	1.4
300.02722	72.5
301.03442	28.1
302.03882	1.1
315.01593	0.2
316.02213	6.5
317.02902	1.9
318.03275	0.2
343.04593	0.4
461.06741	0.1
462.07828	0.5
463.08783	100.0
464.09088	6.6
464.15759	0.3
773.53479	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72092	1.9
70.37036	1.6
71.01234	5.2
72.99179	22.7
73.02848	1.9
77.06853	1.5
85.02837	2.1
87.00745	5.5
88.98666	3.7
89.02334	2.2
96.95881	6.9
101.02300	2.4
103.00258	10.2
113.02348	2.5
116.92689	2.8
121.02806	2.2
122.03564	2.1
123.04420	3.4
125.02299	4.4
135.04425	2.6
137.02353	2.7
146.03647	7.9
146.99252	2.7
147.04411	3.7
159.04398	4.4
160.05095	2.3
161.02394	1.8
161.05963	4.2
162.03140	2.2
167.10649	1.8
172.05257	4.0
173.06075	2.0
174.03178	2.6
175.03897	7.5
176.04716	5.7
179.03430	2.1
187.03938	3.3
188.04662	5.6
189.05490	2.5
190.06259	14.2
195.13869	3.0
200.04739	6.0
201.05409	2.3
202.67792	1.6
204.04257	2.2
205.12343	1.8
209.11829	3.9
211.13364	8.7
217.12212	2.8
223.13301	7.6
270.03732	2.1
271.13495	11.3
283.13351	10.9
285.14975	1.6
287.12991	2.7
289.14441	3.4
297.15051	4.2
299.12848	6.9
301.14413	9.7
309.43417	1.8
311.12766	3.9
313.14465	5.4
315.16013	28.8
316.16556	1.9
317.13815	2.6
325.14447	7.8
327.16092	3.9
329.14096	2.8
333.17084	5.7
337.14389	4.1
343.15399	4.0
355.15430	3.9
373.16370	3.7
397.12982	2.1
420.09949	1.8
485.69922	1.7
583.23315	2.7
743.35498	2.4
761.37939	2.3
833.39197	8.7
847.37451	3.3
849.39795	2.7
893.43365	2.0
905.38751	3.0
923.39136	100.0
924.39380	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01246	26.8
71.56248	22.5
81.17278	15.2
89.02302	28.3
90.74317	16.9
153.54568	18.3
172.14702	19.3
209.11720	100.0
210.12154	52.1
216.28392	25.6
255.23155	43.0
397.13409	58.2
449.19666	19.6
551.58759	18.2
713.39166	18.6
765.87152	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	927.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00186	7.2
68.08112	1.2
83.01253	3.6
95.01229	1.9
98.20663	2.7
106.00467	3.6
107.01260	13.7
107.62486	1.3
109.02810	9.9
109.99973	3.1
111.00749	5.3
121.02802	1.2
123.00751	3.1
125.02332	1.7
127.00218	1.3
136.98683	1.7
139.00237	10.4
143.04987	1.6
148.01584	1.4
149.02348	3.3
149.99458	4.6
151.00273	48.5
152.00789	1.6
153.01863	3.8
153.98936	2.2
154.99786	5.4
159.04359	3.1
161.02319	1.7
163.00275	3.8
164.01015	1.8
164.98189	2.5
165.01659	1.2
165.98996	6.7
166.99762	6.1
168.00504	3.9
169.01306	3.6
171.04410	2.2
173.02292	2.1
175.03830	2.4
177.01944	1.8
177.98965	4.2
178.99776	68.0
180.00235	2.7
181.01277	2.6
181.98479	2.8
186.03140	1.5
187.03891	5.6
189.01791	1.7
193.01250	1.6
194.99297	3.1
197.00801	2.2
198.03093	1.7
199.03873	1.9
203.03357	6.8
204.97667	1.3
214.02687	1.6
215.03470	5.1
217.01295	2.5
217.04778	1.3
218.01848	1.2
219.02919	1.7
222.98792	2.6
223.99538	1.9
227.03497	3.0
229.01331	1.5
229.69559	1.7
231.02954	4.0
232.03711	5.4
233.04471	4.0
241.01675	1.7
242.02110	2.1
243.03033	8.4
245.04514	4.0
255.02940	5.8
258.01660	2.1
259.02432	4.4
271.02472	20.0
272.02826	2.1
286.01157	3.6
287.01926	33.6
288.02560	4.4
289.03488	5.3
297.00299	1.5
299.02011	5.3
300.02673	12.3
301.03461	12.0
302.03976	1.4
303.01309	4.2
304.01962	1.5
315.01434	61.9
316.02170	26.0
317.02921	20.0
318.03427	2.1
327.07162	2.5
332.01706	16.7
333.02484	11.8
343.06534	3.4
379.10242	2.7
435.09335	3.0
447.09360	19.8
448.09552	3.2
461.06946	2.4
463.08743	54.2
464.09103	3.6
479.08240	100.0
479.32159	2.0
480.08676	7.7
655.88647	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34628	3.3
71.01250	12.8
71.52122	5.0
78.08649	3.2
80.17316	3.0
89.02316	10.6
96.95895	9.0
101.02332	6.1
114.87740	2.8
125.02319	5.6
166.73225	2.8
171.10182	4.5
195.13925	5.5
209.11682	7.0
211.13324	56.2
212.13626	3.3
223.13252	3.8
235.08194	5.5
241.14531	4.2
253.09346	6.3
287.07751	3.2
293.21213	100.0
294.21512	10.6
297.15189	3.5
309.20804	5.5
327.39380	3.4
341.23203	5.2
379.12534	4.2
397.13425	43.2
415.14450	15.5
541.91132	3.2
591.27020	7.6
609.27380	16.9
615.90063	3.1
673.34570	6.5
691.35455	8.3
777.88330	3.3
885.48523	12.3
914.30670	3.4
921.46069	46.2
922.46936	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	921.506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23813	18.1
71.01249	20.0
73.02802	3.1
75.00750	2.9
78.95770	2.3
80.33113	1.8
83.01231	1.6
85.02815	5.8
87.00742	5.7
89.02322	9.5
96.95883	3.9
97.02831	15.7
97.06470	2.5
98.20509	2.9
99.00754	21.6
99.92489	2.1
101.02341	10.7
110.03606	1.9
113.02325	5.3
116.92747	10.9
125.02308	5.9
125.09579	7.5
128.16722	1.7
135.02872	1.7
136.05193	2.2
142.02592	5.0
143.03447	1.6
145.02835	2.0
161.04478	2.0
163.11166	10.6
167.29741	1.6
181.12260	17.9
188.61827	1.6
199.13290	3.4
207.10213	52.8
208.10544	2.3
209.11705	4.1
221.06760	1.7
225.11261	79.0
226.11589	3.3
235.08276	2.6
239.87234	1.7
243.12326	25.1
251.08752	1.7
255.23260	67.8
256.23581	2.5
263.07813	2.9
275.12225	1.6
281.24799	2.2
379.12555	2.9
397.13461	9.0
605.24548	21.6
606.25122	1.9
623.25568	7.5
821.90936	1.7
839.80457	1.8
861.48462	100.0
862.48627	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	919.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	1.6
71.01250	100.0
73.02823	5.3
78.13757	1.2
78.95766	2.8
79.95591	2.0
80.91558	2.7
80.96397	3.3
82.95288	2.0
83.01247	4.4
85.02816	4.5
87.00748	7.3
87.46609	1.5
89.02312	17.7
95.01288	1.5
96.95875	6.9
97.02808	6.6
99.00759	4.3
101.02315	17.9
109.06487	7.6
113.02315	12.3
116.73625	1.5
119.03394	5.3
121.02842	2.5
125.02341	10.0
125.09600	4.6
127.11167	3.9
131.03400	2.2
137.09671	2.7
153.09106	1.9
155.10686	2.2
161.04442	3.5
163.11208	4.7
171.10167	63.1
172.10461	1.6
179.05516	6.8
181.12233	2.0
197.11697	5.9
199.09686	14.6
199.13339	3.8
201.11244	23.8
202.11499	1.5
207.10170	25.0
209.11769	3.2
210.51926	1.4
211.13370	1.7
215.12852	1.8
221.06648	4.5
223.13336	1.8
225.00621	1.8
225.11279	21.3
233.11563	3.1
235.08165	6.5
241.19244	1.4
243.12370	4.7
253.09293	4.4
257.24356	1.4
265.14688	2.5
277.21689	60.6
278.22110	3.4
287.07635	2.1
291.19653	3.7
293.20978	1.9
305.08398	1.6
309.20685	8.9
331.19031	1.8
345.76239	1.7
379.12476	4.4
382.64630	1.4
397.13498	30.8
398.13614	2.0
406.74551	1.7
415.14594	8.6
429.63110	1.5
528.13599	1.7
569.24249	2.1
605.24554	4.4
621.78186	1.7
623.25525	5.6
883.46558	9.5
884.47534	2.5
901.48212	3.4
919.48962	19.4
920.48853	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	919.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	4.4
70.41917	10.1
71.01247	25.3
73.02814	3.5
80.54243	2.7
83.01235	4.4
85.02821	3.3
87.00761	3.3
87.26794	2.7
89.02287	17.1
97.91205	2.6
99.92437	2.6
101.02336	15.4
113.02325	7.1
119.03426	3.6
125.02363	7.3
133.00943	2.5
143.03339	4.2
161.04427	4.5
167.10703	4.0
179.05540	3.4
179.14507	3.6
195.13766	7.8
205.12267	8.6
218.10379	2.5
223.13339	100.0
229.97739	2.7
235.08102	6.7
255.23238	65.0
379.12384	14.4
397.13470	58.2
415.14261	13.5
480.93143	2.7
603.26355	13.4
621.27661	9.2
653.37695	11.5
859.50592	5.3
893.65125	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	919.5272
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99452	2.3
69.03347	2.6
71.01253	24.5
71.19936	4.6
73.02813	6.0
78.10357	2.0
83.01247	3.3
85.02824	5.5
87.00747	4.9
89.02320	17.7
95.01260	3.4
99.92448	3.0
101.02318	21.1
113.02335	10.3
116.92747	20.3
119.03355	4.1
124.18591	2.1
125.02367	6.2
139.03851	2.0
147.23383	2.3
161.04543	2.4
167.10634	3.4
179.14290	4.3
181.98587	2.2
195.13802	11.6
205.12254	9.1
223.13341	100.0
224.13756	3.4
235.08177	6.2
255.23256	83.7
256.23520	5.0
379.12570	12.7
397.13516	53.3
398.13852	4.3
415.14551	7.8
421.53516	2.3
491.48981	2.5
513.55829	2.3
601.34491	2.5
603.26440	12.8
621.27185	7.6
635.36206	3.0
653.37744	10.0
670.83984	2.5
859.50305	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	919.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66074	2.0
71.01249	100.0
71.56527	1.7
72.99162	3.1
73.02810	6.0
73.89101	1.8
78.95771	4.1
79.95603	2.0
82.50196	2.2
82.95272	4.3
85.02823	4.2
87.00758	5.4
89.02303	15.2
89.41851	1.7
93.03263	2.5
95.01227	1.9
96.95895	8.8
97.02828	4.7
98.59456	1.8
101.02325	14.8
109.06467	3.0
109.16351	1.9
113.02305	9.4
119.03375	5.5
121.02840	3.1
125.02356	8.9
125.09659	2.3
127.11159	4.0
131.03413	2.4
143.03346	2.7
161.04501	4.8
163.11215	2.2
165.01926	3.2
171.08748	3.5
171.10170	62.0
179.05548	3.8
181.12302	2.1
197.11803	2.4
199.09700	12.8
201.11212	18.3
207.10190	17.3
209.11749	2.8
215.12982	2.3
216.56720	1.7
225.11314	14.4
235.08105	3.9
245.11516	5.8
253.09195	2.7
277.21722	46.4
278.22110	3.3
291.19742	2.6
309.20840	3.2
379.12357	5.1
397.13458	27.0
398.13519	2.2
415.14572	6.5
623.26123	3.1
654.13336	2.1
857.44324	2.6
883.46698	7.3
884.47064	3.8
901.46759	2.7
919.47998	16.6
920.48138	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	919.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27589	3.1
71.01242	11.6
71.56255	4.7
73.71561	3.1
78.95757	5.6
79.95602	3.9
82.95288	11.9
87.00745	10.5
89.02341	7.3
96.95890	100.0
99.00754	7.6
101.02291	3.8
112.98703	4.4
115.00238	17.4
120.11385	3.2
125.02341	6.1
139.00302	4.4
139.64861	3.0
156.77299	3.3
157.01469	4.7
174.01599	5.7
175.02367	30.7
181.12225	7.7
187.82056	3.3
190.33737	3.2
199.13184	3.8
207.10211	15.3
209.11754	6.3
211.13333	12.4
225.11285	36.8
243.12344	9.4
253.09171	4.5
277.21719	31.4
278.22198	4.8
293.21048	6.1
331.18652	3.4
333.89334	4.0
397.13422	8.6
605.24310	13.2
623.25336	15.0
765.46063	3.7
883.47125	52.1
884.47729	7.6
919.44806	42.9
920.45813	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	919.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	2.7
71.01254	100.0
72.01595	1.7
72.36197	1.0
72.99181	3.2
73.02823	4.2
78.95771	3.3
80.96410	1.3
81.03320	1.1
83.01264	2.3
85.02825	7.5
87.00767	6.7
89.02312	16.0
95.01273	3.2
96.95878	4.0
97.02829	6.5
99.00758	3.9
101.02317	17.7
109.06459	5.2
111.04392	1.3
113.02338	9.2
116.97363	0.9
119.03352	5.4
121.02789	1.7
125.02346	7.9
125.09603	3.0
127.11172	2.8
143.03384	2.7
155.10744	1.9
156.61722	1.1
161.04468	3.5
163.11176	3.2
171.10179	50.6
172.10550	2.1
179.05492	4.1
181.12215	2.0
184.28439	1.1
197.11726	1.3
199.09665	12.1
199.13188	1.1
200.64981	1.1
201.11256	16.4
207.10211	22.8
209.11740	1.8
211.13240	1.9
217.07129	1.2
221.06581	2.4
225.11267	13.4
229.29803	1.3
233.11520	2.0
235.08154	5.8
243.12416	1.9
253.09079	1.6
259.78195	1.1
277.21704	59.7
278.22098	3.9
280.91061	1.0
291.19498	1.1
305.08856	2.3
309.20544	1.8
343.66959	1.2
379.12326	4.3
395.33206	1.0
397.13461	40.0
398.13281	1.5
415.14645	10.6
505.19937	1.2
605.24438	1.6
623.25452	2.1
857.46002	2.9
883.46912	7.8
884.47693	2.3
901.47900	3.8
919.48572	18.5
920.49115	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	917.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02461	1.2
71.01250	18.9
71.57445	1.6
72.99181	2.4
73.02833	2.6
75.00743	5.8
76.62180	1.4
78.91741	1.4
78.95795	1.4
80.91555	1.8
81.03362	1.6
83.01257	3.6
83.04895	4.3
85.02824	5.7
87.00760	5.7
89.02312	15.6
92.38967	1.4
92.82188	1.2
95.01240	2.5
96.95894	23.2
97.02844	2.2
99.00769	1.7
101.02317	15.9
112.98663	2.6
113.02325	6.7
115.00266	2.0
119.03398	4.2
125.02319	5.4
127.58501	1.3
129.01869	7.6
130.02126	2.2
135.02887	5.6
142.99739	2.6
143.03365	3.3
161.04454	2.1
163.11179	3.2
165.12828	1.4
174.01582	6.0
175.02391	3.9
179.05498	3.6
184.71887	1.5
195.97586	1.3
209.11760	100.0
210.12167	3.8
211.13361	11.7
221.06578	1.6
227.12857	15.6
235.08220	4.4
237.03148	1.3
253.09233	2.0
277.21710	64.3
278.22061	4.0
287.07791	2.3
304.05588	1.5
305.08609	2.0
379.12445	8.7
397.13501	45.9
415.14523	10.8
447.22372	2.2
489.22281	1.5
580.25555	1.5
675.36682	2.4
763.42328	1.7
803.42542	1.7
917.48102	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	917.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03308	1.1
71.01250	17.7
71.57328	1.2
72.99183	2.4
73.02823	1.4
75.00735	5.1
75.05517	0.9
78.91756	3.0
78.95781	1.5
80.02536	1.0
80.96363	1.5
81.03335	2.0
83.04885	4.6
85.02786	4.7
87.00739	4.9
89.02320	11.6
96.95882	3.5
97.02822	2.6
99.00745	1.1
101.02317	9.8
104.87177	0.8
113.02320	5.2
119.01445	0.8
119.03390	1.2
119.86720	1.0
125.02323	4.1
129.01820	16.6
130.02153	3.5
131.02238	1.4
135.02913	5.9
136.03214	1.7
143.03423	2.7
157.72343	0.9
161.04414	2.8
163.11183	2.5
165.12708	2.4
174.01573	1.6
175.02342	1.6
179.05490	2.3
181.12161	1.3
197.11728	1.8
209.11758	100.0
210.12135	5.5
211.13300	3.5
217.07181	1.2
221.06596	1.5
227.12831	11.1
235.08186	4.6
253.09178	1.4
259.15601	1.0
277.21692	44.4
278.22058	3.7
287.07556	1.7
293.21124	1.6
305.08853	2.1
309.20828	0.9
379.12466	7.6
397.13470	35.3
398.13840	2.0
415.14514	9.2
418.04047	1.0
444.02466	0.9
460.94400	1.0
461.35724	1.0
607.26331	2.3
612.52332	1.0
675.36786	1.4
917.48163	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	917.4751
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	1.2
71.01250	16.0
72.99171	1.1
73.02808	2.6
75.00742	0.7
80.02549	1.5
81.03331	2.1
83.01249	2.6
83.04896	6.1
84.02039	1.0
85.02820	3.7
85.99953	0.3
87.00748	3.4
88.94880	0.3
89.02316	14.0
93.03311	0.6
95.01265	1.5
95.04899	1.3
96.95882	2.2
97.02821	3.4
97.06476	0.7
99.00760	1.2
101.02319	12.0
103.11880	0.4
109.02859	0.4
109.06474	1.0
111.00721	0.5
111.04435	0.7
111.08021	5.8
113.02329	6.9
119.03380	3.5
120.69771	0.3
123.08002	0.4
125.02347	4.6
125.06004	0.7
125.09600	0.7
127.07556	0.8
127.11221	0.4
131.03368	0.8
133.04947	0.6
135.08051	1.1
136.94476	0.3
137.09525	0.4
141.01793	0.4
143.03452	2.4
153.09117	0.4
153.12665	0.7
155.10690	0.4
161.04448	2.7
163.11177	4.9
165.12746	4.6
167.03384	0.4
169.12244	3.0
171.10193	4.2
178.04021	0.3
179.05536	3.8
181.12251	2.2
183.13794	1.0
191.10655	1.4
193.12276	0.6
195.13766	0.6
197.11757	26.3
199.13261	2.4
201.11327	0.8
207.10135	0.7
209.11761	100.0
210.12134	3.6
211.13330	6.3
214.16602	0.3
217.07173	0.7
221.06537	1.4
223.13428	0.4
225.11267	1.4
227.12814	12.8
228.13358	0.5
233.15143	0.3
235.08192	5.1
247.20624	1.3
253.09253	1.2
259.08408	0.4
263.07697	0.7
263.20078	1.4
265.18176	0.4
265.55087	0.3
273.18576	1.1
287.07715	1.3
291.19656	19.7
292.19980	1.2
293.18286	0.6
293.21194	3.8
305.08801	1.6
307.19138	0.4
309.20697	70.6
310.21051	4.1
323.09814	0.9
325.20062	2.1
327.21817	0.5
379.12332	3.5
397.13477	36.2
398.13873	2.4
415.14542	14.0
416.14691	0.6
501.32123	0.5
519.33618	0.4
537.45905	0.4
607.26141	1.7
623.46136	0.4
689.33813	0.8
707.34766	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.1
71.01250	94.3
72.99168	3.7
73.02817	8.4
78.95765	7.4
80.02557	1.2
80.96393	0.9
81.03333	1.9
83.01251	2.6
83.04887	1.9
84.02052	1.0
85.02815	9.3
87.00744	7.3
89.02309	17.5
95.01262	3.1
95.04916	2.0
96.95893	5.2
96.96836	2.3
97.02822	6.0
97.06463	0.9
98.20559	2.1
99.00752	2.8
101.02319	20.0
109.06464	6.9
111.08051	2.2
113.02335	12.0
116.45258	0.9
116.92754	1.1
119.03394	4.8
121.02863	1.0
121.06536	1.3
123.04393	1.2
124.01603	1.1
125.02319	9.1
125.09624	3.7
127.03804	1.2
127.11168	2.7
135.07999	1.5
137.02296	0.9
137.09601	1.2
139.07515	1.1
139.11198	1.1
141.01855	1.6
143.03395	3.6
153.09142	1.1
155.10674	2.0
161.04477	5.2
161.09596	2.1
163.11160	7.2
165.09033	0.9
165.12755	1.4
167.03302	1.0
167.10692	1.2
169.12231	1.1
171.10170	33.2
172.10500	1.4
179.05547	7.5
179.10689	1.4
179.14355	1.0
181.12270	4.3
183.10236	0.9
183.13791	1.5
185.11742	3.4
189.09065	1.3
195.13873	7.2
197.11772	3.8
199.13345	2.5
201.11253	26.5
205.12361	1.6
207.10197	20.8
209.11768	32.5
209.13777	1.6
210.12105	3.9
211.13275	3.5
215.12840	2.9
221.06573	3.0
223.13437	4.8
225.11281	38.5
225.14684	1.4
226.11792	0.9
227.12862	7.4
235.08185	7.7
243.12340	5.1
253.09271	2.6
256.13309	1.0
275.20166	6.9
287.07675	1.5
289.18170	1.5
291.19641	14.3
292.20010	1.5
293.21207	100.0
294.21542	5.7
305.08582	1.4
307.19141	2.2
309.20667	10.3
310.21088	1.6
379.12601	4.1
397.13470	40.4
398.13852	2.4
415.14517	14.4
439.14572	3.0
457.15472	1.4
569.24670	2.3
605.24487	3.2
623.25549	4.8
689.34961	0.9
690.84607	1.0
899.46088	9.2
900.46954	2.3
916.49884	1.0
917.46716	9.1
918.48065	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	915.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
66.87979	1.0
71.01256	5.5
71.56767	0.9
72.99165	4.7
75.00743	20.4
78.95792	1.3
81.03358	0.8
83.01270	1.3
85.02833	7.1
87.00723	4.5
89.02317	4.2
93.94207	0.8
96.95848	1.9
97.02827	2.9
98.03135	0.9
101.02324	1.8
111.04468	0.8
115.00264	2.2
117.01824	0.8
129.01828	100.0
130.02200	1.4
135.02881	43.2
171.10197	2.0
173.00835	1.0
175.02394	3.9
197.11847	1.4
207.10120	1.1
209.11745	2.8
211.13341	1.9
239.12894	2.5
247.04552	1.8
277.21686	8.5
278.22308	1.4
397.13486	1.1
915.46234	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	915.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46021	1.0
69.03321	1.3
71.01251	17.8
72.99174	1.2
73.02798	3.0
78.95766	3.1
81.03309	1.2
83.01235	1.6
85.02827	3.7
87.00768	4.5
89.02309	12.1
95.01245	2.2
96.95853	1.8
97.02827	4.3
101.02303	13.1
107.17278	1.0
113.02319	7.4
119.03351	2.5
125.02323	5.2
143.03319	1.8
153.12669	1.2
161.04410	2.8
163.11072	1.1
169.12314	5.8
179.05569	4.8
191.05537	2.5
197.11755	100.0
198.12065	3.2
209.11754	2.4
217.62433	1.0
221.06584	2.2
225.06636	1.0
227.12816	1.3
235.08180	4.4
237.17938	0.9
255.23286	2.2
277.21716	50.7
278.22076	3.8
287.07611	1.4
293.21121	1.4
305.08691	1.8
379.12405	11.3
397.13464	41.1
398.13800	2.7
415.14563	6.7
577.24738	5.8
578.25531	1.4
595.26025	6.3
675.35486	1.7
915.48572	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	917.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93864	10.9
71.01272	26.2
89.02319	16.7
96.95886	27.5
101.02322	13.9
110.70267	9.2
113.02283	11.1
123.02509	10.1
124.29568	10.2
125.02280	11.8
161.04478	11.2
181.94540	10.0
200.90321	9.8
209.11710	13.5
223.13312	100.0
227.12834	12.3
256.48709	9.7
277.21729	72.5
310.85202	10.5
379.12427	18.1
397.13504	78.7
415.14493	12.6
603.26801	22.0
675.35547	14.5
754.14301	10.9
881.48975	11.9
917.47290	60.0
918.47290	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	917.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03310	2.5
70.18968	1.0
71.01252	100.0
72.99180	3.2
73.02824	7.4
78.95770	5.5
79.62842	0.9
80.96349	1.1
81.03321	2.9
83.01261	2.8
83.04900	4.8
85.02820	8.8
87.00748	9.1
89.02313	21.2
94.18413	0.9
94.67387	0.9
95.01258	2.9
95.04885	3.1
95.31351	1.0
96.95892	4.8
96.96841	2.1
97.02823	6.3
97.06464	3.0
98.11339	0.9
99.00764	3.2
101.02325	21.3
109.02818	1.5
109.06485	7.6
110.03574	1.2
111.00745	1.8
111.04385	1.4
111.08019	2.8
113.02329	12.4
116.92717	1.9
119.03352	5.3
119.41273	1.0
121.02912	1.2
123.04374	1.2
125.02331	9.3
125.09593	4.1
127.11124	1.3
131.03317	1.2
135.08051	1.5
137.09660	1.3
139.07475	1.8
141.01775	2.7
143.03433	4.4
149.04434	0.8
151.11107	1.5
153.12680	1.0
154.12498	0.8
155.10703	1.7
161.04419	6.6
163.11177	9.3
165.08916	1.2
165.12741	3.0
167.10666	2.3
169.12206	2.2
171.08749	1.9
171.10187	33.5
172.10551	1.1
179.05525	6.8
179.10664	1.0
181.12280	4.4
183.13797	1.8
185.11740	3.0
189.09087	1.0
191.10617	1.3
195.13835	5.0
197.11726	4.0
199.06114	1.0
199.13295	5.2
201.11256	28.0
207.10197	21.7
208.10478	1.2
209.11761	43.5
210.12103	12.7
211.13559	7.2
215.12860	1.9
221.06599	2.2
223.13367	5.1
225.11276	37.8
226.11537	1.6
227.12843	10.8
228.13185	3.9
235.08195	6.6
243.12337	4.1
245.19009	1.2
253.09250	2.3
263.07614	1.4
263.20044	1.8
275.20163	6.9
287.07642	1.9
289.18008	2.9
290.18466	1.6
291.19696	10.1
293.21213	73.2
294.21472	3.1
307.19162	5.9
308.19519	5.2
309.20673	11.4
323.09387	1.2
325.20096	1.7
379.12396	4.1
397.13495	37.7
398.14227	4.4
399.14078	1.6
415.14572	16.4
439.14587	2.1
502.36539	1.3
551.22998	1.2
605.24377	5.2
607.26111	1.3
608.26880	2.0
609.27026	1.1
623.25470	6.4
691.34509	1.0
771.77454	1.2
793.57104	1.0
819.39746	1.2
899.46759	8.5
900.46759	1.5
917.47192	11.1
918.48102	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	915.4594
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24908	0.4
69.03305	2.0
69.03642	0.4
70.24129	2.0
71.01252	17.6
72.99162	1.8
73.02814	3.2
75.00717	0.6
78.95747	0.8
80.02555	1.9
81.03309	2.8
83.01260	3.0
83.04898	6.9
84.02038	0.9
85.02815	4.6
87.00758	4.7
89.02315	14.6
93.03329	1.1
95.01247	1.9
95.04899	1.9
96.95879	5.3
96.96843	0.5
97.02834	4.9
97.06463	1.9
98.95489	1.2
99.00750	2.0
101.02317	12.6
107.04926	0.5
109.02837	0.7
109.06477	4.7
110.03609	0.9
111.00766	0.6
111.04384	0.7
111.08018	1.7
113.02327	7.3
115.00233	0.9
119.03376	3.9
121.06528	0.6
123.04396	1.6
123.08052	1.2
125.02328	5.7
125.05953	0.9
125.09611	3.3
128.01904	0.4
131.03401	0.7
135.08043	2.1
137.09605	1.4
139.03857	0.4
141.01831	0.7
141.12727	0.7
142.02592	0.7
143.03400	3.3
151.03807	0.4
151.11139	0.8
158.98994	0.4
161.04468	3.4
161.09657	0.6
163.11186	11.4
164.11523	0.5
165.12735	3.7
169.12248	0.8
169.20107	0.5
171.10114	2.4
175.02351	1.0
177.12830	0.5
179.03954	0.5
179.05508	4.6
179.10648	1.1
181.12204	2.6
183.13777	0.8
185.11736	2.8
189.09157	0.5
191.10669	1.6
191.14302	3.5
193.12248	0.5
195.13892	0.7
197.11768	7.3
199.13313	0.7
207.10194	13.0
208.10593	0.8
209.11763	100.0
210.12067	4.6
211.13351	6.2
211.95786	0.4
213.14812	0.5
217.07014	0.5
221.06606	1.4
223.09573	0.7
223.13364	0.8
225.11263	9.2
226.11768	0.6
227.12831	12.7
228.13045	0.8
235.08197	5.0
237.11378	1.1
241.14366	0.6
245.19121	5.7
247.13483	1.0
251.12866	0.8
253.09224	1.6
263.07544	0.9
263.12704	0.6
263.20114	1.8
271.16861	0.9
287.07727	1.3
289.18088	30.3
290.18427	1.8
291.19672	3.4
293.21185	3.0
305.08694	1.2
307.19131	29.1
308.19278	1.9
309.20712	9.5
310.21109	0.7
323.09845	1.2
325.20221	0.5
327.19662	0.7
379.12390	3.5
397.13486	33.2
398.13770	1.9
407.96936	0.5
415.14542	10.2
416.14731	0.7
419.24261	0.6
434.99237	0.5
499.31134	0.6
589.24829	0.6
605.24866	0.7
607.26245	1.3
623.25873	1.8
799.37976	1.5
879.43781	0.6
897.45282	2.9
898.44324	0.6
915.46045	10.7
916.46460	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	915.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01768	0.6
69.03308	1.5
71.01254	20.2
71.04871	0.5
71.14873	0.4
71.15227	0.8
72.01596	0.4
72.99175	2.2
73.02821	2.5
75.00732	1.4
78.88764	0.4
78.95761	1.0
80.02546	1.6
81.03331	2.6
83.01257	3.4
83.04895	6.3
85.02823	4.8
87.00747	5.9
89.02316	13.2
93.03323	0.9
95.01248	1.5
95.04912	2.0
96.95884	2.6
97.02816	4.0
97.06479	3.1
98.81760	0.4
99.00748	1.7
101.02316	13.1
107.04920	0.5
109.02844	0.9
109.06470	2.5
111.04368	0.7
111.08044	1.2
113.02332	7.0
115.00255	1.7
115.07406	0.4
119.03398	3.3
121.02859	0.6
121.06474	0.6
123.04403	2.0
123.08031	0.9
125.02327	5.3
125.09621	3.1
131.03357	0.9
135.08009	1.4
137.05957	0.5
137.09608	1.5
141.01807	0.9
141.12720	0.6
141.51035	0.4
142.02649	0.5
143.03406	2.3
147.11742	0.6
147.40219	0.5
149.04509	0.6
151.11180	1.5
155.10570	0.4
161.04459	3.2
161.09715	0.9
163.11185	8.7
165.12741	5.2
167.10664	0.8
169.12225	1.0
171.10194	2.7
175.02367	3.1
176.28493	0.4
177.12851	0.7
179.05539	4.0
179.10670	1.4
181.12274	2.7
183.13768	1.3
185.11723	2.4
191.10664	2.3
191.14311	3.1
195.13835	0.9
197.11742	7.0
199.13266	1.0
199.47398	0.4
205.12297	0.6
207.10223	5.3
208.10664	0.5
209.11761	100.0
210.12100	4.0
211.13347	7.8
221.06598	2.0
223.13409	1.3
225.11281	4.0
227.12830	16.7
228.13103	0.8
235.08156	4.4
237.11226	0.8
241.14354	0.6
245.06541	0.6
245.19055	6.7
246.19307	0.6
251.12909	0.7
253.09291	1.7
256.21085	0.5
263.07669	0.8
263.20108	2.6
271.17081	0.8
279.19662	0.8
281.21222	0.5
287.07666	0.7
287.16699	0.6
289.18094	28.8
290.18381	1.4
291.19617	1.9
293.21164	4.0
305.08731	0.9
305.17551	0.7
307.19138	32.5
308.19431	2.4
309.20770	4.5
323.09827	0.6
323.18826	0.5
325.20062	0.8
379.12686	2.1
397.13495	27.2
398.13855	1.0
415.14523	9.2
416.15112	0.6
419.24429	0.7
589.24945	1.2
607.26343	3.1
687.32037	1.2
705.33240	1.6
723.43762	0.5
799.37360	2.2
817.39136	0.9
879.43811	0.6
897.44812	2.6
915.45935	11.6
916.46179	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	915.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00182	0.4
71.13242	0.5
82.37981	0.2
91.49030	0.2
105.76350	0.2
107.01239	1.0
108.02045	0.4
109.02839	0.4
111.00703	0.2
121.02789	0.4
125.02319	0.9
151.00278	3.6
163.00284	1.0
163.03845	0.3
169.01292	1.1
178.99780	2.1
183.04430	0.3
185.06233	0.2
188.04652	0.3
190.02628	0.6
191.03456	0.3
198.03139	0.3
199.03931	0.2
204.49661	0.2
206.02115	0.2
215.03450	0.2
220.10916	0.3
226.02663	2.8
227.03499	1.3
227.82849	0.2
240.21620	0.2
243.02936	8.0
244.03317	0.7
245.04343	0.3
254.02206	3.1
255.00520	0.4
255.02917	3.6
271.02454	33.4
272.02942	2.7
285.03949	0.3
299.01953	1.0
300.02710	50.5
301.03439	12.4
302.03796	0.6
343.04565	0.9
362.88181	0.2
462.07880	0.4
463.08780	100.0
464.09125	6.7
476.59952	0.3
601.39929	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.5163
Annotation	Unknow
Peak:m/z	Relative Intensity
67.83003	3.2
69.03315	6.3
70.79781	4.7
70.80141	9.2
71.01250	33.5
71.91968	3.1
72.99197	7.5
73.02818	7.2
75.00751	4.7
76.73235	3.0
78.95770	6.5
82.50431	3.4
83.01263	6.0
83.04889	8.3
85.02824	23.1
87.00726	7.3
89.02333	21.0
93.03397	4.1
95.01242	5.2
96.95890	14.1
97.02844	9.1
97.06456	3.6
101.02331	27.8
109.06454	6.8
113.02325	13.5
119.03381	7.4
125.02308	9.0
141.01582	14.4
142.02583	3.0
161.04472	7.4
162.05971	3.0
162.63612	2.9
163.11198	5.4
171.10170	24.0
177.12782	8.3
179.05499	6.7
179.10623	3.2
181.12329	3.1
182.21516	3.1
185.11758	5.2
191.71658	3.5
193.08665	3.7
195.13852	14.2
196.50172	3.3
197.11711	9.1
205.50407	3.0
207.10231	6.1
209.11786	17.1
211.13333	25.7
221.11760	65.8
223.13324	35.1
224.13658	6.1
229.14340	4.8
235.08150	13.7
239.12827	41.3
240.13168	5.1
245.19162	8.2
253.09256	19.7
275.20093	9.8
289.18054	30.1
291.19568	23.8
293.21225	100.0
294.21613	9.6
307.19098	34.4
309.20697	54.7
310.20898	4.1
327.21783	48.7
363.35687	3.8
397.13464	44.3
415.14505	12.1
563.30432	3.9
619.26288	4.8
637.26520	6.1
913.47540	22.8
914.48151	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	913.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03302	5.0
70.63495	0.6
71.01251	23.1
71.04884	0.6
72.99185	2.3
73.02817	3.0
73.23833	0.3
75.00748	0.4
81.03332	1.4
81.27332	0.3
83.01268	2.2
83.04895	0.7
84.20255	0.3
84.75310	0.3
85.02821	6.3
85.06464	0.6
85.83468	0.4
87.00751	5.6
89.02314	17.4
92.22568	0.4
93.03318	0.7
95.01260	1.7
95.04874	0.8
96.95856	0.4
97.02818	4.9
97.06449	0.7
99.00764	1.4
101.02319	15.1
101.52671	0.4
109.02834	0.6
109.06464	1.2
111.00770	0.6
111.04384	0.4
111.08042	10.2
113.02324	9.5
119.03387	4.7
121.10092	0.4
123.07967	0.4
125.02344	6.0
125.09592	0.5
127.03924	0.4
127.07565	0.8
131.03395	1.1
133.04967	0.4
135.11748	0.4
137.09604	0.7
139.03854	0.5
141.01697	0.4
141.09076	0.5
143.03400	3.0
149.04472	0.7
149.09654	0.7
151.11143	0.9
153.09021	0.6
153.12758	0.6
161.04456	3.5
161.13130	0.4
163.11078	0.4
163.36784	0.4
165.12782	1.7
167.03432	0.6
167.10696	4.2
169.12244	4.5
171.10216	1.7
177.12737	1.0
179.05539	6.2
179.10721	1.7
179.14326	3.8
181.12271	1.3
183.13812	0.5
185.04475	0.4
191.14417	0.4
193.12279	0.8
195.13832	10.3
196.14145	0.6
197.11758	49.8
198.12054	2.0
199.13318	2.3
205.12262	9.1
209.11763	1.2
211.13348	6.8
212.13664	0.5
217.06993	0.8
221.06639	2.1
221.11823	0.6
223.13339	89.7
224.13663	4.8
225.11331	0.8
225.15002	0.5
227.12831	2.6
229.19586	0.4
231.49591	0.3
235.08170	5.7
239.12878	0.4
245.06473	0.4
247.20706	1.0
253.09314	1.0
263.07684	0.7
263.20016	1.9
264.20514	0.4
265.18033	1.2
273.18674	1.2
287.07730	1.2
289.18207	0.6
291.19656	23.0
292.20044	1.7
293.21301	0.7
305.08722	2.2
309.20694	100.0
310.21027	7.9
323.09814	1.5
327.21417	0.6
333.20547	0.6
341.23169	0.4
379.12445	3.8
397.13486	46.0
398.13736	3.3
415.14566	17.4
416.14883	0.9
494.20087	0.4
515.33636	1.6
584.33466	0.4
595.25635	0.4
603.26752	4.3
604.26532	0.7
621.27667	10.0
622.28088	0.9
689.33875	2.5
707.34680	2.7
708.35614	0.6
858.91418	0.4
913.47687	1.2
914.46527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03296	4.5
69.98680	2.5
71.01253	22.6
71.04884	1.2
72.99174	2.1
73.02821	3.5
75.55220	0.4
81.03330	1.2
83.01258	1.7
83.04907	1.7
85.02830	4.9
85.06474	0.5
87.00751	4.7
87.57230	0.5
89.02318	16.8
93.03364	0.6
95.01266	1.8
95.04920	0.7
96.95898	1.0
97.02822	3.4
97.06477	0.7
99.00763	1.5
101.02319	13.9
109.06473	1.2
111.00752	0.9
111.04419	0.7
111.08044	8.6
113.02328	8.3
119.03382	4.4
121.02814	0.5
123.07912	0.4
125.02338	5.6
125.09611	0.4
127.07522	0.8
131.03418	1.2
139.03880	0.7
141.01743	0.9
143.03400	2.3
149.04482	0.7
149.09628	0.5
151.11252	1.1
153.12689	0.7
161.04472	2.8
161.13242	0.5
165.68724	0.5
167.10683	3.4
169.12265	4.1
171.10175	1.0
177.12750	1.5
179.05525	4.6
179.10686	1.3
179.14296	2.7
181.12228	1.1
183.13783	0.9
193.12274	0.6
195.13818	10.5
197.11763	45.6
198.12155	1.3
199.13335	2.8
205.10522	0.7
205.12280	8.9
209.11717	0.6
211.13341	8.0
212.13638	0.6
217.07127	0.7
221.06601	1.9
221.11781	2.9
223.13342	79.0
224.13737	3.7
227.12886	1.0
235.08159	5.1
239.12950	2.2
253.09261	1.6
263.07727	1.0
263.20102	3.2
265.18137	1.5
273.18668	1.0
287.07764	1.5
289.18137	0.6
291.19675	15.2
293.21249	4.9
305.08777	2.1
309.20712	100.0
310.21048	6.4
323.09915	2.0
379.12573	2.5
397.13507	49.5
398.13800	2.1
415.14572	18.9
416.15036	0.7
515.33832	1.3
595.26483	0.5
603.26581	3.1
621.27588	15.4
622.28217	1.4
689.33728	2.5
707.34668	2.0
913.47998	2.8
914.46918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35928	1.8
64.57103	1.4
68.99680	1.7
69.02982	1.6
69.03306	8.5
71.01251	48.9
72.99177	4.9
73.02811	10.8
75.00739	12.5
77.12670	1.9
81.03350	2.3
83.01242	6.4
83.04888	5.8
85.02821	12.5
87.00729	11.0
89.02312	37.7
89.02835	3.4
93.03351	2.4
94.17616	1.7
95.01264	4.5
95.04910	3.7
96.95865	4.5
97.02843	8.5
97.06393	2.0
99.00736	2.2
101.02317	36.7
106.43164	1.8
109.06464	3.5
111.04356	2.1
111.08027	6.8
113.02314	18.8
119.03378	8.4
123.04350	1.9
125.02340	13.4
137.09558	2.5
143.03409	6.2
144.37563	1.5
149.09621	3.4
151.11241	1.7
161.04454	8.1
165.12880	2.0
167.10635	9.6
171.10178	7.5
175.11179	2.1
177.12756	11.5
179.05530	10.9
179.10640	3.6
179.14384	3.8
183.13712	3.1
185.11818	2.3
193.12170	2.1
195.13817	28.8
197.11710	5.4
203.75253	1.8
205.12328	10.9
207.10162	2.4
209.11755	5.0
210.12132	2.3
211.13394	8.6
217.06963	1.9
221.06708	3.2
221.11795	43.0
223.13339	94.6
224.13705	10.1
225.13942	1.8
227.12898	2.6
235.08212	10.0
239.12849	87.9
240.13208	3.5
245.06674	2.5
247.20703	2.3
253.09215	3.6
275.20123	8.5
287.07776	3.1
291.19644	85.2
292.19986	4.5
293.21213	100.0
294.21466	5.6
305.08774	3.2
307.19131	4.8
308.19604	2.5
309.20743	8.3
323.09863	3.3
345.94342	1.8
379.12396	3.4
397.13467	57.9
398.13776	5.1
415.14627	28.8
428.89645	1.8
497.32693	3.5
619.25940	6.0
621.27966	2.9
637.26990	8.5
815.39917	2.0
913.48016	10.2
914.47479	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	913.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03300	3.7
71.01250	19.8
71.04877	1.1
72.99163	2.8
73.02804	2.9
75.00739	1.1
78.95767	0.6
81.03319	1.1
83.01254	2.3
83.04894	1.4
85.02817	4.2
85.06449	0.7
87.00751	5.1
89.02311	15.3
90.67856	0.5
93.03297	0.7
95.01270	1.8
95.04903	0.8
96.95891	1.8
97.02827	4.5
97.06429	0.8
99.00735	0.9
101.02318	13.1
107.33239	0.5
109.06441	2.0
111.08040	8.9
113.02331	7.6
115.00304	0.6
118.66109	0.6
119.03387	3.4
119.04105	0.5
123.04420	0.5
123.08041	0.6
125.02320	4.8
125.09643	0.6
125.26350	0.6
126.99980	0.5
127.07526	1.1
131.03358	0.7
135.02861	0.6
137.09602	0.8
139.03876	0.6
141.01627	2.2
143.03386	1.8
151.11177	0.8
153.12704	0.7
161.04442	2.9
163.11223	0.8
165.12788	0.8
167.10655	3.3
169.12215	2.8
171.10167	2.6
175.02405	1.7
177.12724	0.8
179.05537	5.8
179.10815	1.1
179.14348	3.4
181.12234	1.7
183.13788	1.5
185.11717	0.8
191.27232	0.5
193.12292	1.0
195.13835	10.3
197.11752	35.5
198.12054	1.5
199.13298	2.0
205.12260	7.9
207.10197	1.9
209.11696	2.7
211.13313	8.3
221.06612	2.4
221.11780	0.8
223.13336	66.0
224.13640	2.6
225.11115	1.0
227.12906	1.6
235.08185	4.7
239.13016	0.7
247.20593	0.7
253.09212	1.7
263.20038	3.2
265.14493	0.5
273.18472	0.6
287.07715	1.2
287.16580	0.5
291.19650	22.0
292.20020	0.7
293.21219	1.3
305.08832	1.5
309.20691	100.0
310.21048	5.5
323.09607	1.2
333.21005	0.6
351.21622	0.7
367.16455	0.8
379.12415	2.1
397.13474	33.7
398.13837	2.0
415.14499	15.8
415.19937	1.1
515.33582	1.5
603.26715	2.3
621.27692	7.7
622.27936	1.0
689.33441	2.3
707.35101	2.5
895.42346	0.8
913.47266	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	911.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01240	10.9
71.57735	1.8
71.58150	3.4
72.99183	21.2
75.00733	3.0
78.10558	2.0
85.02814	3.1
87.00728	4.0
88.98676	5.6
89.02306	6.5
92.92682	2.4
96.95866	6.1
101.02301	5.8
103.00248	7.6
108.54684	2.3
113.02312	3.5
121.02830	3.0
122.03623	3.1
125.02308	5.9
127.33797	2.0
135.04436	2.7
137.02339	5.3
140.43945	2.0
146.03589	6.7
147.04440	3.1
149.02344	2.3
151.03835	2.3
159.04407	2.9
160.05202	2.8
161.02315	3.4
161.05862	2.3
162.69281	2.5
172.05052	2.3
174.03111	3.9
175.03914	6.1
176.04698	4.7
179.05540	2.4
183.13838	6.0
187.03961	4.0
188.04718	6.4
189.05534	2.7
190.06271	8.3
200.04720	4.7
209.11774	30.7
211.13332	46.7
271.13412	14.8
283.13510	11.2
289.14542	4.7
297.14883	3.8
299.12894	4.8
301.14450	11.7
311.12936	2.9
313.14395	6.4
315.15970	33.5
325.14392	9.4
329.13889	6.0
333.16931	7.6
337.14407	2.5
338.00275	2.7
341.14374	2.3
343.15518	5.6
355.15466	4.6
379.12555	3.4
397.13498	13.6
546.93384	2.2
578.07599	2.9
729.09680	2.2
821.39270	8.5
893.39093	3.7
911.39166	100.0
912.39532	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	911.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99671	0.3
69.03306	2.8
71.01249	17.1
71.04892	2.5
71.30372	0.3
72.99164	1.8
73.02808	2.4
75.00748	0.8
77.36470	0.3
80.02523	0.7
81.03304	2.0
83.01270	2.4
83.04900	1.4
85.02820	4.1
85.30358	0.3
87.00742	4.1
89.02316	14.0
93.03364	0.5
95.01247	1.4
95.04900	1.6
96.50145	0.3
96.95893	0.9
97.02821	2.1
97.06459	0.9
98.03587	0.5
98.20522	0.9
99.00767	1.3
101.02326	12.5
106.04127	0.8
107.08727	0.4
109.02831	0.8
109.06477	8.2
111.00790	0.6
111.04398	3.4
111.08028	0.8
113.02327	7.6
119.03397	4.0
121.06474	0.5
123.00750	0.4
123.04377	0.4
123.08022	1.2
125.02321	4.0
125.09620	0.5
127.07545	0.8
131.03378	1.0
135.08105	0.6
137.09599	0.8
141.01785	0.9
141.09142	0.3
142.99710	0.4
143.03380	2.5
143.10686	1.1
145.06512	1.6
149.04483	0.5
149.06032	0.4
149.09633	1.8
151.11220	0.9
161.04437	3.6
163.11172	0.7
165.01909	0.4
167.03429	0.6
167.10658	4.0
175.02364	0.4
177.12714	0.6
178.80696	0.3
179.05531	6.0
179.10699	1.5
179.14261	2.0
181.12207	0.4
195.13828	10.4
195.15547	0.7
205.12265	7.9
207.17500	0.5
209.11716	1.0
211.13377	1.2
217.07317	0.4
221.06613	2.0
223.13339	71.4
224.13663	3.7
231.68251	0.3
235.08153	3.9
235.13289	1.0
236.08656	0.4
237.14996	1.0
245.19067	4.6
251.16432	0.8
253.09294	0.9
263.07666	0.7
265.14297	0.4
271.17093	0.7
273.14868	0.7
287.07733	1.0
287.16525	2.2
289.18082	100.0
290.18439	5.9
291.19598	0.4
293.21353	0.5
305.08813	1.1
307.19147	6.4
314.75647	0.3
323.09729	1.2
372.73041	0.4
379.12369	4.3
397.13486	39.5
398.13742	2.3
415.14532	10.5
416.14886	0.8
437.27066	0.4
455.28131	0.7
495.31055	1.1
513.32074	0.7
603.26630	3.0
621.18188	0.7
621.27557	6.1
622.27838	0.8
669.31390	1.7
687.32257	2.5
783.38782	0.6
835.41724	1.6
875.44086	0.9
893.44879	2.0
894.44946	0.5
911.42841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.527
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01244	16.9
73.02824	2.2
83.01271	2.8
85.02843	2.6
85.70334	2.2
87.00751	3.0
89.02332	14.3
101.02325	10.5
113.02315	8.8
119.03371	3.7
125.02331	5.8
148.34315	1.9
161.04401	3.3
179.05516	3.8
183.13799	8.1
211.13332	100.0
212.13611	3.3
229.33882	2.7
235.08162	5.2
255.23268	60.4
255.25908	3.7
256.23544	2.8
379.12338	11.4
397.13477	43.6
398.13797	3.3
415.14282	7.6
537.53943	2.2
591.26416	6.5
609.27777	4.6
635.37140	3.8
653.37683	5.6
935.63385	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	911.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00191	1.1
68.99673	0.2
69.99265	0.8
69.99675	0.4
79.63708	0.2
81.69688	0.2
83.01263	0.4
93.03346	0.2
95.01262	0.5
98.19831	0.2
99.80948	0.2
107.00616	0.3
107.01261	1.7
108.02058	0.4
108.08365	0.2
109.02818	1.5
109.99980	3.5
111.00774	2.2
121.02827	0.9
123.00764	1.2
123.04424	0.2
124.01503	0.3
125.02314	0.7
133.02881	0.3
135.00757	0.4
136.01579	0.3
136.98689	0.7
137.02310	0.7
137.99481	2.1
139.00266	6.6
141.98979	0.3
145.33789	0.2
147.04437	0.2
148.01576	0.7
149.02328	0.8
151.00270	7.1
152.01062	1.2
153.01767	0.3
159.04469	0.3
161.02356	0.3
163.00273	2.0
164.01089	1.0
164.98135	0.4
165.01784	0.3
165.98979	5.9
166.99754	3.1
168.00209	0.2
169.01378	0.3
171.04431	0.5
174.03149	0.5
175.03903	0.5
176.01112	0.2
177.01758	0.2
178.99770	5.7
180.00148	0.3
183.04459	0.4
185.02339	0.3
186.03113	0.2
187.03917	0.7
189.01842	0.2
190.99748	0.5
192.00632	0.2
193.01387	0.3
193.98521	0.5
194.99277	1.1
197.02242	0.3
198.03171	0.6
199.03908	1.4
201.01898	0.5
201.05463	0.4
202.02621	0.3
203.03447	0.8
206.99263	0.8
207.99982	0.5
211.03958	0.5
214.02632	0.6
215.03447	0.8
216.04234	0.4
226.02641	0.9
227.03416	2.2
229.01344	0.2
229.05066	0.3
231.02937	0.7
239.03461	0.2
242.02121	1.4
243.02950	4.7
244.03629	0.7
245.04491	1.0
254.02145	0.6
255.02968	7.5
256.03387	0.5
258.01578	0.3
259.02484	1.2
260.03183	0.3
261.04071	0.3
270.01663	2.2
271.02451	26.3
272.02942	1.7
273.04031	1.1
283.02490	0.6
287.01962	8.2
288.02490	1.7
298.01053	0.4
299.01938	9.6
300.02713	24.0
301.03479	16.0
302.03818	0.9
315.01447	1.7
316.02206	32.9
317.02960	31.8
318.03281	1.6
447.09283	45.5
448.09659	3.6
461.07245	0.4
462.07898	2.0
463.08774	100.0
464.09064	7.4
830.32361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.504
Annotation	CHLOROPHYLL B
Peak:m/z	Relative Intensity
65.13663	7.7
69.91856	9.5
70.25910	31.5
71.01247	44.9
71.01606	8.3
73.02851	11.7
74.75336	7.4
79.95610	9.7
87.00729	12.7
87.67154	8.9
88.98708	9.0
89.02308	22.4
94.97944	10.5
96.95875	12.7
97.06474	12.5
101.02322	15.3
107.90999	8.6
113.02325	13.6
116.92749	60.4
117.92827	8.7
121.02869	11.9
125.02309	8.6
133.04938	12.4
141.21411	8.2
164.90034	8.0
165.01842	15.9
171.10173	29.0
185.11748	13.3
197.11818	23.4
201.11258	34.5
202.11661	16.2
209.11813	80.4
210.12042	20.8
211.13362	11.9
225.11417	9.9
225.15005	13.7
235.08287	16.3
253.09254	46.2
277.21774	26.8
278.21985	21.4
291.19659	29.4
293.21201	21.4
305.17508	23.6
307.19116	12.5
309.20691	94.0
316.26584	8.4
341.23331	100.0
341.65948	9.6
342.23569	11.0
345.68887	8.4
397.13568	20.9
398.13690	10.2
399.13791	14.7
467.81702	8.7
477.33423	9.3
545.29260	10.5
552.19916	8.8
577.32715	12.7
721.22406	9.2
742.01447	9.3
809.14795	11.0
905.50378	87.3
906.49860	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	907.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
67.58234	0.6
69.03286	4.1
69.36930	6.3
71.01250	19.3
71.04877	1.1
72.99163	1.8
73.02803	2.6
81.03299	0.6
83.01240	2.0
83.04894	1.4
85.02809	3.5
86.25894	0.6
87.00761	4.2
89.02316	16.4
93.03312	0.6
95.01260	1.4
95.04884	0.7
96.95890	1.6
97.02803	2.7
99.00729	1.5
101.01692	1.0
101.02324	15.7
109.06436	0.9
113.02330	7.7
116.92731	1.1
119.03376	4.5
125.02332	6.0
131.03346	1.1
139.03931	0.9
143.03401	2.8
161.04434	2.7
167.10690	3.5
167.14285	1.0
177.12849	0.8
179.05515	4.7
179.10622	1.4
179.14326	4.5
183.13840	8.7
190.91045	0.8
193.12238	1.9
195.13855	8.8
199.13316	0.7
205.10535	1.0
205.12285	10.3
208.40627	0.7
211.13327	100.0
212.13680	4.9
221.06664	2.1
223.13339	85.9
224.13649	4.3
235.08188	3.6
263.07794	0.9
287.07733	1.3
305.08798	1.9
323.09875	1.4
349.98373	0.7
379.12384	8.0
397.13486	35.6
398.13849	3.2
415.14569	8.4
417.26620	1.2
591.26532	9.7
603.26538	12.8
604.26825	1.4
609.27625	11.5
609.37018	1.3
610.28137	1.0
621.27588	16.1
622.28149	2.3
797.39465	7.6
798.40765	1.9
815.40686	8.6
815.54950	0.9
816.41272	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	907.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
65.91110	0.6
68.08525	0.6
69.03315	3.0
71.01254	21.5
71.04891	0.8
72.99164	2.4
72.99541	0.8
73.02817	2.7
75.00735	1.7
79.55363	0.6
83.01283	1.9
83.04886	1.2
83.56274	0.6
85.02820	3.8
87.00747	4.2
88.98680	0.8
89.02315	14.7
93.03353	0.9
95.01263	1.9
96.95889	2.4
97.02806	2.3
99.00746	1.1
101.02317	16.3
103.00244	1.1
113.02328	8.7
116.92761	3.3
119.03374	3.6
121.02846	0.8
125.02328	6.5
127.06671	0.9
139.03918	0.9
143.03394	2.6
149.04340	1.0
153.09158	0.8
161.04466	3.8
165.12779	1.1
167.10672	2.9
171.10187	2.5
179.05547	4.8
179.10591	1.6
179.14256	4.1
183.13826	9.5
193.12273	2.3
195.13849	9.3
197.11728	0.9
199.06117	0.9
205.12256	7.9
209.11732	4.8
211.13327	100.0
212.13661	4.6
221.06581	1.4
221.15355	1.0
223.13338	79.8
224.13655	4.5
235.08147	5.3
236.10555	0.8
253.09198	2.5
264.04276	0.7
287.07748	1.6
289.18213	1.1
305.08704	1.9
307.19128	7.8
308.19351	1.5
309.20566	1.1
323.09744	1.8
325.20248	6.0
326.20889	0.9
379.12479	7.0
397.13470	32.4
398.13803	2.0
415.14627	6.5
417.26511	1.6
423.62067	0.8
542.89215	0.8
543.27850	4.2
544.28503	0.9
561.29388	1.0
591.26526	8.6
603.26538	15.1
604.27051	2.6
609.27490	8.3
610.28040	0.9
621.27557	13.0
622.28156	2.0
721.64105	0.9
771.38306	1.4
797.39648	8.9
815.40729	8.9
816.40796	2.4
833.46899	1.9
851.48004	1.8
907.46338	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	905.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
63.08611	7.5
65.32841	7.9
67.85583	8.7
67.89738	8.1
70.79620	14.0
71.01257	43.8
76.37473	8.2
78.95758	9.3
89.02308	15.9
96.95913	10.2
99.00763	9.5
101.02354	27.0
113.02294	18.0
116.44862	9.0
125.02332	11.2
151.10175	8.2
161.40227	7.9
171.10124	27.5
209.11746	10.3
211.13312	100.0
225.11243	12.9
255.23238	12.3
277.21600	67.3
277.58258	9.1
281.24963	19.2
378.94489	10.2
379.12442	19.0
393.73416	7.6
397.13507	83.4
415.14749	20.2
468.52570	9.7
591.26276	12.0
618.87244	9.4
675.36237	10.2
905.47681	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.48
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03322	0.7
69.57806	0.3
70.63676	0.3
70.64014	0.8
70.74560	0.3
71.01253	14.8
71.04900	0.3
72.99178	0.9
73.02814	2.3
80.02559	0.9
81.03334	2.0
83.01249	1.5
83.04891	4.5
84.02043	0.6
85.02821	2.9
87.00754	3.6
89.02314	12.9
91.03895	0.3
95.01278	1.0
95.04890	0.5
96.95891	1.3
97.02824	2.1
97.06469	0.5
97.63354	0.4
99.00739	0.7
101.02322	10.5
109.06480	0.4
111.08030	0.7
113.02323	6.0
119.03387	3.4
123.83963	0.3
125.02341	4.0
125.05970	0.7
125.09642	0.4
135.08047	0.4
141.01859	0.5
143.03435	2.2
149.04462	0.5
161.04456	2.3
161.09555	0.3
163.11215	3.6
165.12785	2.0
167.10718	0.3
171.10170	1.0
179.03752	0.4
179.05502	4.4
179.10661	0.3
179.14323	0.6
181.12256	0.6
183.13756	0.3
191.10652	0.6
195.13831	7.2
196.14586	0.6
197.11757	1.2
197.15433	0.3
199.13368	0.4
209.11761	86.7
210.12105	3.8
211.13348	5.4
211.15340	0.4
212.13599	0.4
217.07152	0.5
221.06581	1.3
223.13342	4.9
224.13635	0.5
225.15033	0.4
227.12833	12.1
228.13408	0.7
235.08179	4.9
236.08524	0.3
239.12677	0.4
240.08105	0.3
241.57274	0.3
251.12794	0.5
253.09189	1.0
256.13138	0.8
263.07742	0.5
263.19855	0.3
265.21802	0.4
275.20151	5.5
287.07669	1.3
291.19614	1.2
293.21210	100.0
294.21561	6.6
305.08688	1.6
309.20667	3.7
310.21072	0.6
317.21310	0.4
323.09726	0.9
379.12457	3.3
397.13464	33.7
398.13940	1.6
415.14545	13.9
416.14590	0.6
589.25507	0.5
607.26080	1.5
673.34491	0.7
691.35120	1.2
832.39270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35452	0.7
71.01262	6.4
71.58175	1.4
72.99198	1.3
83.01266	1.0
83.04901	4.1
85.02822	1.8
87.00759	0.8
89.02313	6.2
95.01268	1.0
96.95861	1.7
97.02874	0.9
101.02327	4.5
113.02337	3.2
119.03413	1.7
119.04917	1.0
125.02332	3.2
145.02899	0.9
161.04480	1.9
163.11183	2.0
165.12759	1.4
169.01266	1.1
169.58144	0.8
169.79575	0.8
179.05562	3.6
209.11760	100.0
210.12074	4.1
227.12837	26.4
235.08064	2.1
287.07849	1.1
300.54877	0.9
301.19873	1.0
305.08807	1.6
379.12448	7.4
397.13495	35.8
398.13803	2.2
415.14594	7.8
589.24890	10.3
607.26086	10.3
657.78339	1.0
753.10162	1.1
799.37836	2.3
903.39685	17.6
904.23083	0.9
904.38733	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	905.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02270	0.5
65.00190	0.5
67.01774	0.4
69.03330	0.8
77.14568	0.3
81.03333	1.0
83.01269	1.4
91.01781	0.5
93.03312	0.8
95.01238	0.6
95.04905	1.1
97.02817	2.3
107.01270	3.6
108.02090	1.1
109.02828	8.6
111.00773	0.7
121.02825	3.0
123.00791	1.3
123.04406	3.6
124.01569	0.6
125.02331	54.4
126.02636	0.6
135.00815	0.5
135.04457	0.9
137.02330	5.1
139.00281	0.5
139.03932	0.8
140.01033	0.7
145.02834	2.0
146.03694	0.5
148.01563	1.0
149.02342	2.0
150.03122	0.6
151.00278	9.3
151.03893	3.2
159.04420	1.5
161.02345	0.5
161.05975	2.0
162.03169	0.4
163.00288	1.9
164.01048	1.1
165.01871	1.3
166.99785	0.8
168.00497	1.0
169.01329	67.0
170.01672	1.6
170.87279	0.3
173.06134	0.5
175.03931	1.0
178.99777	4.2
179.03448	1.1
183.04337	0.5
185.06117	0.9
187.03963	1.6
188.04715	1.3
190.99806	0.5
193.01338	2.5
195.52640	0.4
196.00154	0.3
199.03961	0.6
201.05495	1.0
203.03584	0.7
203.07053	3.6
205.04944	2.3
211.03883	1.0
212.04843	0.4
215.03432	0.8
216.04131	0.4
221.08130	0.7
226.02602	1.3
227.03413	2.7
227.06995	0.7
228.03770	0.3
229.04938	0.6
231.02995	0.6
241.36620	0.4
243.02965	8.7
244.03604	0.6
245.04549	1.8
245.08154	5.7
253.04987	0.7
254.02194	2.1
255.02957	23.6
256.03424	1.2
259.06042	0.7
271.02466	49.9
271.05896	2.9
272.03012	3.4
273.04025	0.7
283.02414	1.0
287.05377	0.4
289.07172	29.1
290.07523	2.0
299.02060	1.3
300.02731	72.8
301.03470	34.1
302.03842	1.6
303.05008	1.6
315.04996	0.4
331.04309	0.9
386.89227	0.4
441.08234	30.9
442.08591	3.2
463.08789	100.0
464.09155	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	901.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98418	0.8
67.35326	0.6
69.03316	1.9
71.01249	100.0
71.04850	0.6
72.01595	1.3
72.99178	1.6
73.02814	4.4
75.00731	1.3
78.95772	1.1
79.95605	2.3
80.96380	2.1
81.03341	0.7
83.01241	2.7
85.02812	5.4
87.00753	4.4
89.02313	12.1
95.01239	1.3
95.04896	1.2
96.95879	4.8
97.02809	3.2
99.00749	2.5
101.02318	10.9
109.06464	3.7
110.03660	0.9
111.00778	1.2
113.02322	6.4
116.92738	3.8
119.03380	2.6
121.02893	0.8
125.02343	6.3
125.09603	1.4
127.11155	1.8
143.03444	2.3
153.09058	0.7
155.10690	1.1
161.04465	2.7
163.11205	3.4
169.12379	0.6
171.10167	30.7
172.10501	1.6
177.09132	0.6
179.05528	3.1
179.10683	1.2
180.32140	0.7
181.12206	2.0
185.11761	2.0
189.09174	0.9
193.81857	0.7
197.11659	1.4
199.13344	6.2
201.11252	16.3
207.10191	12.8
209.11755	1.2
211.13335	1.9
215.12869	1.1
220.14600	0.8
221.06586	1.8
225.11269	24.9
227.12785	1.1
235.08151	3.9
243.12343	2.9
252.82462	0.8
253.09171	0.9
277.21695	35.1
278.22037	3.1
279.23080	0.8
286.63721	0.9
287.07550	1.5
293.21240	2.0
305.08655	1.1
309.20706	1.3
323.10043	0.9
379.12430	5.6
397.13449	24.3
407.84006	0.7
415.14520	6.1
444.59479	0.8
533.20111	0.8
551.23511	1.3
569.24927	1.1
605.24701	2.8
606.22156	0.8
623.25677	3.7
675.36212	1.2
883.46179	4.0
901.47308	17.0
902.47693	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	901.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01744	0.3
69.03314	0.9
71.01249	16.1
72.83874	0.3
72.99178	1.4
73.02817	2.5
75.00743	0.5
80.02556	1.2
81.03323	2.0
83.01266	1.8
83.04892	7.1
84.02027	1.1
85.02808	2.8
87.00735	3.5
89.02314	12.4
89.55736	0.3
93.03422	0.4
95.01272	1.3
95.04901	1.2
96.95879	0.9
97.02818	2.3
97.06454	0.5
98.20585	0.7
99.00773	0.8
101.02318	11.1
102.88103	0.3
109.06465	0.4
111.04411	0.5
111.08054	0.7
113.02321	6.2
119.03387	3.0
125.02322	4.5
125.05981	0.7
125.09537	0.4
131.03369	0.4
135.08075	0.6
141.01857	0.4
143.03400	1.5
149.04413	0.5
161.04454	2.3
163.11201	5.0
164.11519	0.3
165.12740	2.9
167.03416	0.4
179.05566	2.7
179.14398	0.6
181.12256	0.9
183.13702	0.4
191.10712	1.3
195.13817	5.6
196.14290	0.5
197.11682	0.4
203.05630	0.4
209.11760	100.0
210.10243	0.6
210.12119	5.9
211.13356	2.1
221.06587	1.0
223.13313	5.0
225.14825	0.7
227.12830	10.4
228.13414	0.8
235.08192	4.4
251.12886	0.4
253.09050	0.6
256.13055	0.8
259.08109	0.3
263.07809	0.6
265.21655	0.5
275.20111	4.0
276.20447	0.4
287.07587	1.5
291.19644	0.5
293.21201	91.2
294.21527	7.3
299.56467	0.3
305.08826	0.8
309.20694	1.0
323.09888	0.8
332.35022	0.4
379.12408	2.5
393.83264	0.4
397.13464	37.2
398.13800	2.7
415.08957	0.7
415.14520	13.9
416.14896	0.9
589.24982	0.7
607.26007	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	899.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71828	0.5
69.03334	4.9
71.01250	16.2
71.04881	1.4
72.99173	2.0
73.02816	2.3
75.00732	2.2
78.95735	0.7
80.96366	0.9
81.03291	0.7
83.01257	1.3
83.04906	1.0
85.02820	3.7
87.00752	4.7
89.02316	8.1
95.01255	1.1
97.02824	2.6
97.06423	0.7
98.20554	1.5
99.00745	1.5
101.02317	9.8
107.04916	0.6
109.02785	0.9
109.06468	0.8
111.07981	0.9
113.02317	4.2
115.00240	2.1
119.03395	2.1
121.02859	1.1
123.08073	1.4
125.02327	2.1
125.09594	2.7
143.03349	1.0
149.09677	0.8
151.11179	1.9
160.38263	0.6
161.04527	1.4
161.09639	3.1
171.10146	2.0
175.02321	2.9
179.10634	4.8
197.11757	36.4
198.12079	2.5
207.10127	0.9
211.13364	3.7
213.14909	0.7
221.06671	1.5
223.09669	1.1
223.77275	0.7
235.08246	1.2
239.12720	0.7
241.10875	1.4
241.14397	2.1
246.90372	0.7
253.09209	1.7
267.12311	0.7
275.20123	1.0
277.21704	41.4
278.21985	3.7
291.19565	1.0
292.20126	0.7
293.21213	2.7
309.20621	2.2
310.21060	2.0
341.23196	0.9
397.13455	3.6
415.14471	0.9
447.22516	0.7
737.44788	1.2
759.43561	0.7
781.44055	2.1
899.46423	100.0
900.46704	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99704	0.6
69.03316	5.1
71.01254	18.7
71.04880	1.6
72.99177	2.4
73.02806	2.9
75.00731	2.0
78.95744	0.6
79.95597	1.1
80.96384	1.8
83.01265	2.8
83.04900	0.9
85.02824	4.5
87.00755	6.5
89.02313	10.0
95.01260	1.3
95.04879	0.6
96.95859	0.9
97.02833	3.5
97.06462	0.9
99.00743	1.4
101.02324	12.9
109.02859	1.1
109.06463	0.6
111.04408	1.1
111.07998	0.7
113.02344	5.7
115.00256	4.5
119.03383	2.8
123.08049	0.8
125.02311	3.2
125.09596	2.0
127.03857	0.8
131.03387	0.6
141.01721	0.6
143.03407	1.1
149.09534	0.9
151.11174	1.8
153.12727	1.4
161.04471	1.2
161.09644	3.2
165.12724	0.5
169.12239	1.9
171.10178	2.7
175.02417	7.9
179.05553	1.7
179.10707	5.0
195.13860	1.9
197.11765	63.9
198.12024	3.0
207.10249	0.9
209.11739	0.9
211.13344	5.0
221.06709	2.4
221.11703	1.0
223.09769	2.8
223.13327	4.2
223.56473	0.6
235.08163	2.4
241.10826	3.7
241.14436	2.4
253.09193	1.5
277.21719	31.2
278.22177	2.5
289.18018	0.7
290.04868	0.5
293.21198	1.1
295.22784	7.4
309.20605	0.8
310.20978	1.1
341.22992	0.6
373.71945	0.5
397.13483	6.1
415.14374	1.6
465.68054	0.5
621.24097	0.7
639.25244	1.1
737.42468	0.8
781.43256	1.8
881.45947	0.7
899.46417	100.0
900.46893	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	897.521
Annotation	Unknow
Peak:m/z	Relative Intensity
64.45879	1.5
70.43189	3.0
70.43580	3.0
71.01244	8.6
75.00771	1.3
83.01281	1.2
83.04890	2.2
85.02841	2.1
87.00735	4.9
87.30911	1.3
89.02304	3.5
94.31595	1.2
96.95928	1.5
98.47139	1.4
101.02297	3.7
107.40315	1.3
111.08039	12.2
113.02299	4.4
115.00257	3.9
141.01581	1.9
152.52771	1.5
161.04468	1.9
165.12755	2.1
169.12231	5.4
171.10268	1.4
175.02367	8.6
181.12215	1.9
197.11746	60.2
198.11891	2.6
199.13327	4.4
209.11855	3.5
211.13301	11.9
213.48203	1.6
221.11905	1.9
223.13243	2.9
227.12775	2.7
235.08165	3.3
247.20546	1.5
253.09229	21.6
263.20187	4.2
277.21637	4.0
291.19675	30.8
292.19882	2.6
293.21167	4.3
309.20688	100.0
310.21051	7.7
397.13489	2.4
430.67828	1.4
448.49329	1.5
527.29102	1.7
542.38574	1.5
545.29553	5.0
601.40881	2.2
710.63361	1.5
714.50830	1.7
897.45392	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	899.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01257	12.7
71.57956	9.6
73.02826	6.6
78.95777	6.8
85.02821	8.1
89.02328	11.8
94.26755	5.3
96.95906	32.0
101.02324	13.7
104.46409	5.5
107.50164	5.7
113.02335	6.9
125.02338	21.8
137.02313	6.5
158.58882	5.1
161.04498	5.0
163.11226	7.1
175.02385	11.7
179.05534	8.9
209.11765	100.0
211.13306	15.6
223.13330	67.4
224.13689	8.9
227.12859	25.5
233.11620	6.9
291.19312	6.3
309.20901	6.0
379.12485	12.5
397.13632	46.5
415.14645	8.5
554.89130	5.0
589.24872	12.0
603.26703	14.6
607.25940	10.7
621.27710	15.4
646.52264	6.3
749.10095	5.4
813.38751	15.1
814.38654	7.5
899.40979	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03323	2.3
69.37805	1.0
69.42434	0.7
71.01253	26.8
71.04910	0.8
72.99183	3.3
73.02808	4.6
75.00770	0.9
80.02554	1.8
81.03342	3.5
83.01247	3.4
83.04892	7.2
84.02016	1.1
85.02823	6.8
87.00740	6.7
89.02316	21.1
89.02830	1.6
94.92383	2.3
95.01278	1.7
95.04870	1.4
96.95884	5.9
97.02827	7.3
97.06456	1.5
99.00760	3.4
101.02326	20.4
109.06471	12.2
111.00746	1.1
111.08036	8.3
113.02327	10.3
115.00274	1.3
119.03383	6.8
123.04391	1.8
125.02341	7.9
131.03419	1.0
135.08044	1.7
139.03899	1.0
141.01732	2.9
141.41837	0.9
142.02650	1.3
143.03415	3.2
161.04474	3.5
161.09584	1.1
163.11183	10.4
165.12766	3.4
167.10704	2.6
171.10210	1.9
177.12793	1.2
179.05551	6.6
179.10654	1.7
181.12204	2.9
191.10744	1.6
195.13867	7.7
197.11732	1.6
207.10201	36.5
208.10580	1.4
209.11766	100.0
210.12111	4.2
211.13364	6.9
217.07179	1.1
221.06645	2.4
223.13243	2.0
225.11264	15.8
227.12840	14.3
235.08224	5.5
247.20740	1.6
253.09258	1.7
273.18576	1.7
275.20175	2.9
287.07590	1.6
289.18109	2.1
291.19656	91.3
292.20038	5.3
293.21213	43.8
294.21567	2.3
305.08868	2.8
307.19165	1.3
309.20822	3.3
323.10031	2.1
379.12283	4.7
395.49884	1.1
397.13489	47.0
398.13821	2.9
415.14532	16.2
483.31482	1.0
501.32425	1.3
554.33252	0.9
605.24542	3.0
607.26367	2.6
623.25574	3.5
671.33038	2.1
689.34100	4.8
702.36993	1.1
774.42981	1.0
795.45856	0.9
881.45605	3.0
899.46436	20.0
900.47003	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	897.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
64.61296	0.2
69.03297	3.0
70.32892	0.6
71.01250	14.8
71.04879	0.3
72.99173	1.2
73.02818	2.4
75.00746	0.4
79.57938	0.3
81.03356	0.4
83.01260	1.6
83.04816	0.3
85.02817	3.7
85.06478	0.4
87.00748	3.1
89.02312	12.8
95.01254	1.1
95.04903	0.7
97.02839	2.1
99.00760	1.2
101.02315	10.6
102.02647	0.3
106.49141	0.3
109.06499	0.4
111.00761	0.4
111.04395	0.6
113.02317	5.7
115.03839	0.4
119.03365	2.8
119.04889	0.2
123.08005	0.3
125.02320	3.5
131.03377	0.4
135.11659	0.3
139.03917	0.3
139.42618	0.3
141.01717	0.3
143.03391	2.2
149.04431	0.3
149.09576	0.4
161.04433	2.6
162.56276	0.3
167.10680	2.2
171.10150	0.4
177.12743	0.6
179.05522	3.8
179.10664	0.7
179.14297	3.5
195.13826	13.3
196.14409	1.3
205.12280	7.0
206.12622	0.5
211.13307	0.7
217.07019	0.3
219.05147	0.3
221.06567	1.3
223.13332	67.1
224.13663	3.8
225.14865	0.8
228.13544	0.4
231.21098	0.3
235.08205	4.1
253.09232	1.1
256.13171	1.2
263.07663	0.8
265.21912	0.4
275.20132	4.5
287.07751	1.1
293.21204	100.0
293.74603	0.3
294.21536	8.1
305.08823	1.1
317.21133	0.5
323.09808	1.1
324.18246	0.3
341.10776	0.5
379.12427	2.8
397.13470	33.7
398.13770	2.3
415.14520	12.3
416.14792	0.9
488.09549	0.3
499.33981	0.7
603.26575	4.1
604.27222	0.4
621.27643	9.1
622.27924	1.3
625.84741	0.3
673.34418	1.2
691.35327	1.9
692.35376	0.4
897.49133	1.3
898.49280	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03830	4.3
69.03313	1.5
69.53353	8.5
71.01251	11.8
71.02589	1.0
75.00733	1.8
78.95783	1.7
81.03342	1.8
83.04914	1.7
85.02826	4.3
86.05340	1.2
87.00752	5.7
89.02325	7.3
96.95889	4.3
97.02831	3.3
99.00740	1.4
101.02316	8.3
111.08039	11.5
112.08374	1.4
113.02348	3.7
115.00283	7.1
117.63750	1.3
119.03398	1.9
137.09535	1.3
141.01614	5.5
158.24438	1.3
161.04503	2.5
163.11200	1.4
165.12799	3.8
167.10719	1.9
169.12236	3.2
171.10161	3.7
175.02393	10.5
195.10103	2.9
197.11771	33.8
199.13379	2.7
204.93532	1.4
207.21771	1.3
209.11777	4.7
211.13318	9.0
221.11761	8.1
223.13406	8.5
225.10719	1.4
227.12868	3.7
235.08177	4.4
239.12979	2.9
246.39107	1.3
247.20560	2.4
253.09235	21.8
254.09529	1.5
263.20181	2.0
273.18527	2.0
277.21725	11.0
278.22174	1.7
291.19650	31.0
291.22672	2.5
292.19958	2.9
293.21213	10.6
309.20712	100.0
310.21167	6.2
311.22275	1.2
397.13422	8.2
415.14926	1.8
433.20749	1.8
545.29803	6.0
601.25275	1.9
879.47992	7.9
896.80084	1.9
897.48029	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
64.15184	1.2
69.03310	2.6
70.85501	2.6
70.85860	3.3
71.01251	10.4
71.04877	1.6
72.99205	2.1
76.26777	1.2
81.03350	1.6
83.01251	2.1
83.04907	3.1
85.02807	3.2
87.00753	2.0
89.02316	5.5
92.87700	1.2
93.03328	4.3
94.49346	1.3
95.01238	1.5
95.04875	1.6
97.02804	1.9
97.06451	4.6
98.15326	1.4
101.02329	9.5
110.10199	1.3
111.08037	14.8
113.02307	4.0
123.04412	2.6
125.02307	2.3
125.09592	7.9
135.08011	1.4
137.09558	3.6
153.12860	1.6
161.04416	3.8
163.11191	8.5
165.12706	1.9
169.12247	6.0
177.12665	1.7
181.12326	3.4
185.11754	5.8
191.14333	7.4
197.11755	85.7
198.12111	2.3
199.13351	3.5
207.10223	2.7
209.11749	19.2
211.13324	16.2
225.11267	3.5
227.12817	4.0
235.08209	5.4
237.11240	5.8
245.19064	18.8
253.03479	6.1
253.09258	32.9
263.20102	7.9
265.17990	2.7
271.16989	3.1
289.18088	80.9
290.18457	4.2
291.19650	37.3
307.19131	79.1
308.19443	5.6
309.20691	100.0
310.20920	6.4
397.13562	1.9
433.20660	2.7
525.27185	3.0
543.27979	4.1
545.29889	3.6
721.40112	2.2
835.48932	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	895.506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03306	3.0
69.30371	24.2
71.01247	15.9
71.39645	2.5
72.99177	10.2
75.00753	8.0
83.04866	2.5
85.02822	4.9
87.00751	5.4
89.02286	5.4
97.06435	9.8
98.20570	4.4
101.02318	8.1
110.64732	2.2
111.08026	23.0
113.02319	6.6
115.00285	2.3
125.18246	2.3
145.04933	2.2
151.11156	11.8
153.09041	2.5
153.12781	4.1
155.10664	2.8
161.04482	3.5
163.11195	3.8
165.12762	11.0
167.10571	2.5
169.12219	10.7
177.12738	2.3
179.10719	3.5
181.12241	10.7
191.10704	7.2
197.11745	90.3
198.12045	2.7
199.13341	4.8
209.11725	30.3
211.13300	17.2
227.12823	17.3
235.08195	7.8
237.14977	4.2
245.19107	10.7
253.09285	24.1
255.23070	3.2
263.20148	28.8
277.21729	3.6
279.19836	2.4
289.18045	26.2
291.19623	27.7
293.21158	2.9
307.19122	87.7
308.19418	5.6
309.20676	100.0
310.21039	7.9
351.17224	2.9
397.13602	2.7
401.09155	2.9
445.21008	17.7
490.10300	2.4
498.24667	2.9
543.28149	18.4
544.28589	3.3
724.39313	2.4
737.41357	9.9
835.48419	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	895.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03319	1.4
71.01253	14.1
71.04222	2.6
72.99169	1.2
73.02827	1.7
75.00740	10.6
76.43501	1.2
78.95779	2.9
81.03342	2.0
83.01246	1.2
83.04897	4.4
85.02816	3.3
87.00754	3.3
89.02314	11.9
95.01273	1.4
97.02847	1.8
99.00773	1.8
101.02311	11.9
111.00719	1.0
113.02318	7.2
119.03397	2.8
125.02329	5.2
143.03340	1.3
161.04445	2.9
163.11206	2.3
165.12740	2.3
171.10176	2.0
172.33348	1.3
179.05449	2.2
191.10684	1.5
209.11761	100.0
210.12148	4.6
214.34657	1.2
221.06644	1.1
227.12816	12.8
235.08124	6.2
241.01079	1.2
255.23250	56.5
256.23584	3.4
287.07730	1.8
293.21109	1.8
305.08716	1.8
307.11081	1.2
323.22327	1.9
343.45749	1.3
379.12283	10.2
380.12759	1.4
395.04108	1.2
397.13464	39.5
398.13959	3.0
398.46906	1.4
415.14572	4.1
635.36517	1.4
653.37512	3.8
895.48608	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	895.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03335	0.9
71.01249	7.7
72.99183	0.6
73.02808	1.5
81.03323	0.3
83.01257	1.3
83.04852	0.3
85.02818	1.9
87.00766	1.6
89.02313	7.4
91.00539	0.3
95.01279	0.7
97.02821	1.2
97.77596	0.3
101.02322	6.4
109.06452	0.3
111.04385	0.3
113.02327	4.6
115.03860	0.3
116.85447	0.3
119.03407	1.7
121.02775	0.4
125.02326	3.1
131.03343	0.4
143.03429	1.1
161.04422	1.6
167.10762	0.4
167.14319	0.8
179.05542	1.9
181.11977	0.3
183.13803	7.6
184.14218	0.3
193.12297	1.8
207.10190	0.5
210.87343	0.3
211.13326	100.0
212.13669	5.2
217.07195	0.5
221.06622	0.8
225.11256	0.5
235.08200	2.2
259.08179	0.4
287.07764	0.7
294.70581	0.3
305.08850	0.8
316.18118	0.3
323.09665	0.5
335.81763	0.3
352.21042	0.3
369.23868	0.3
379.12381	5.1
380.12589	0.4
397.13467	17.3
398.13754	1.3
415.14639	3.2
505.77307	0.3
591.26538	11.0
592.26819	0.9
609.27649	10.1
609.37952	0.3
610.27960	1.2
785.39575	3.0
803.41266	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	895.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00171	0.7
67.66569	0.3
69.46635	2.8
69.46970	0.6
78.28112	0.3
83.01235	1.0
83.83846	0.4
92.12010	0.3
107.01257	1.8
108.02017	0.6
109.02802	1.0
121.02822	1.5
135.00677	0.5
139.63840	0.4
148.01610	0.5
151.00261	10.5
159.04457	0.4
163.00249	2.0
169.01265	0.7
178.99774	5.5
185.06012	0.4
187.03802	0.5
201.05437	0.5
211.03929	0.7
215.03621	0.4
226.02536	0.4
227.03418	1.7
229.04991	1.0
239.03371	0.6
243.02977	3.7
245.04523	1.3
254.02150	1.3
255.02942	13.8
256.03421	0.6
271.02457	24.6
272.02975	2.3
273.04242	0.8
283.02411	1.3
299.01935	0.7
300.02728	69.7
301.03479	50.6
302.03772	1.5
356.30005	0.3
400.57141	0.4
447.09286	100.0
448.09564	5.3
456.03775	0.4
557.79010	0.4
739.02985	0.4
877.09534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
68.75165	1.4
69.03333	3.2
71.01250	88.2
72.99155	1.6
73.02806	4.9
74.75647	1.6
75.00758	1.6
81.03320	2.4
81.08975	1.5
85.02826	7.3
87.00736	6.4
88.98687	3.4
89.02308	16.3
96.95861	1.9
97.02816	9.6
99.00759	2.9
101.02316	17.5
107.04884	2.0
109.02789	1.7
109.06480	16.1
111.04458	1.5
113.02333	9.7
119.03366	8.2
121.06482	3.0
125.02312	8.3
127.09285	1.4
135.08089	3.1
141.01665	2.3
143.03418	1.7
161.04431	3.6
163.11200	10.5
171.10222	7.9
179.05492	5.1
181.12250	6.0
183.13824	7.0
193.12206	2.6
197.11606	2.0
199.09554	2.3
199.13461	2.6
201.11258	6.1
207.10193	35.7
209.11787	14.2
211.13321	100.0
212.13637	6.5
218.07581	1.7
221.06682	3.2
223.04587	1.6
223.13339	3.9
225.11253	32.0
226.11588	1.9
227.12869	5.3
235.08176	4.6
243.12206	2.2
253.09315	1.9
277.49655	1.7
287.07803	1.6
295.35733	1.6
304.56799	1.6
373.23843	1.8
379.12393	4.8
391.24997	1.8
397.13419	31.3
401.23245	5.6
415.14716	9.5
419.24164	3.8
447.09055	2.2
591.26654	5.7
605.24493	2.5
609.27307	5.6
623.25433	9.5
799.37421	9.1
817.38684	16.9
818.38776	4.1
835.40100	3.1
895.43518	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01248	4.8
71.57585	1.7
71.93943	1.0
81.03315	1.4
83.01275	1.1
83.04877	1.0
89.02322	1.9
93.03352	1.2
95.04893	2.3
97.02869	1.7
97.06465	1.3
101.02319	4.1
104.99648	1.1
109.06467	5.9
111.04401	1.6
111.08061	1.5
113.02331	2.4
123.04391	1.2
123.08089	1.1
125.09599	3.0
130.67957	1.1
137.09644	1.8
141.01605	1.8
147.84940	1.1
161.04485	1.4
163.11180	3.2
167.10669	2.2
179.10741	1.2
185.11765	4.3
191.14343	2.9
195.13847	2.0
207.10211	1.5
209.11768	9.0
211.13356	1.7
214.16534	1.1
217.15942	1.1
217.51617	1.0
225.11102	1.2
235.08182	2.8
237.11205	1.3
245.19083	9.3
253.09294	11.2
263.20105	1.8
271.17087	2.5
287.16586	2.0
289.18082	100.0
290.18417	8.3
291.19714	1.4
293.21286	2.6
294.21249	1.3
305.17572	1.9
307.19125	32.5
308.19553	2.6
309.20657	2.5
525.27032	2.9
543.28076	1.7
717.38525	1.3
894.47144	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03331	0.9
70.13576	1.8
71.01244	5.7
72.99187	0.9
73.02802	1.5
80.02538	0.7
81.03341	2.4
83.01249	3.2
83.04887	1.7
85.02794	1.6
87.00754	1.4
89.02303	4.0
93.03308	0.8
95.01239	1.1
95.04890	2.1
96.33810	0.5
97.02821	2.7
97.06454	5.5
98.06824	0.6
99.00722	1.1
101.02320	5.8
102.02657	0.5
109.02865	0.5
109.06440	1.7
111.04373	0.5
113.02322	2.7
113.05916	0.6
119.03415	1.0
119.08527	1.1
121.06454	2.2
121.10022	0.6
123.04432	3.7
123.08070	2.6
125.02326	1.2
125.05940	0.6
125.09605	8.4
135.08009	1.5
137.09581	4.4
141.12680	1.2
149.05960	1.3
149.09659	0.6
151.11176	1.3
160.08894	0.6
161.04433	1.9
161.09671	0.7
162.10320	0.7
163.11191	9.5
164.08311	0.6
165.12732	1.9
167.10616	0.7
169.01326	1.3
171.10178	1.6
177.12791	1.1
179.10741	0.9
181.12259	2.5
185.11752	11.7
187.09607	0.7
189.12846	0.6
191.10674	1.6
191.14314	9.9
192.14694	0.6
197.11693	0.5
207.10191	5.4
209.11760	22.8
210.12076	0.9
211.13306	2.7
217.15921	1.5
223.13324	0.7
225.11261	5.2
235.08211	3.4
237.11240	5.6
243.17358	0.7
245.19055	20.6
246.19257	2.0
253.09244	14.7
255.23134	0.9
261.18466	0.7
263.20099	5.6
271.17007	2.6
277.53375	0.5
281.21295	0.7
287.16306	0.8
289.18079	100.0
290.18411	7.0
291.19592	1.1
305.17465	0.9
307.19131	85.9
308.19473	4.5
309.20667	1.1
313.18134	1.0
331.19061	1.0
347.22083	0.8
445.20700	1.2
499.30740	0.8
525.26794	1.9
529.10938	0.6
542.02618	0.6
543.27954	2.1
597.38293	1.0
615.38782	0.8
717.37640	0.7
735.39056	0.9
833.47150	1.6
893.46484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03326	1.1
71.01258	14.7
72.99177	1.2
73.02803	1.6
81.03320	2.2
83.01262	2.4
83.04893	3.5
85.02814	3.6
87.00754	3.2
89.02316	5.7
95.01229	1.3
95.04881	2.7
97.02813	4.5
97.06465	8.5
99.00799	1.4
101.02319	8.2
109.02843	1.7
109.06473	1.8
111.08057	3.1
113.02294	4.3
119.03380	1.8
123.04383	3.1
123.08039	2.3
125.02219	1.5
125.09574	8.0
135.08047	1.3
137.09573	1.8
145.04962	1.4
149.09613	1.9
149.28654	1.2
151.11169	6.5
153.12721	2.3
155.10648	1.7
161.04428	2.8
161.09578	1.8
163.11195	8.6
165.12770	9.8
167.46049	1.4
171.10132	2.3
177.12727	1.4
179.10666	4.2
181.12189	7.0
185.11693	5.8
191.10654	3.9
191.12646	1.0
191.14307	7.7
197.11740	1.3
207.10141	3.7
209.11751	38.5
211.13309	2.4
213.11101	1.5
217.16010	1.8
225.11232	3.8
227.12779	8.0
235.08128	4.6
237.11208	2.8
243.17589	1.8
245.19046	19.9
246.19296	1.5
253.09299	12.6
255.23216	3.0
263.20105	15.0
271.16895	3.0
279.19443	2.5
284.86246	1.3
289.18069	74.4
290.18393	3.7
291.19586	1.8
307.19110	100.0
308.19376	4.8
309.20740	1.3
335.53278	1.3
397.13391	3.7
445.20764	9.7
499.30804	2.1
525.26990	4.2
543.28156	10.4
544.28314	1.9
717.38300	1.5
735.38666	3.4
833.47095	3.2
893.49579	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	889.516
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36720	0.3
69.03313	0.9
71.01248	12.7
71.20002	1.0
72.99171	1.4
73.02811	1.8
75.00706	0.6
80.02546	1.0
80.96388	0.6
81.03316	2.0
83.01245	1.9
83.04893	4.9
84.02046	0.7
85.02818	4.0
87.00748	3.2
89.02314	11.2
93.03358	0.5
95.01256	0.7
95.04885	0.8
97.02829	2.1
99.00710	1.0
101.02312	9.6
109.06509	0.4
113.02319	6.6
116.92732	1.6
118.25940	0.4
119.03387	3.0
120.77094	0.4
121.02782	0.5
125.02326	6.0
125.05927	0.8
131.03442	0.4
135.08102	0.5
143.03398	1.8
149.04395	0.5
158.05463	0.4
161.04456	2.9
163.11174	3.4
165.12776	2.1
165.13921	0.4
167.03371	0.5
171.10246	0.5
179.05508	4.6
181.12230	0.8
191.10634	0.7
199.05972	0.6
209.11755	100.0
210.12114	5.1
217.07108	0.8
221.06572	1.4
227.12833	10.9
228.13277	0.6
235.08197	3.8
251.12924	0.9
253.09277	0.9
255.23192	0.4
259.08151	0.5
281.24835	48.6
282.25272	3.7
287.07678	1.7
305.08746	1.6
323.09839	1.3
358.69617	0.5
379.12390	6.0
392.28082	0.4
397.13449	30.9
398.13672	2.3
415.14542	7.2
589.25250	0.6
607.26099	0.9
661.37561	0.5
679.39166	0.7
889.51123	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	889.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98707	1.6
69.03310	0.9
70.39272	0.8
71.01250	19.0
71.56164	1.4
72.99189	1.7
73.02822	2.4
75.00738	1.0
80.02531	1.1
80.96369	1.1
81.03323	1.1
83.01257	2.5
83.04887	4.5
85.02841	5.1
87.00731	4.7
89.02313	15.4
95.01276	2.0
97.02834	2.6
98.15429	0.8
99.00729	1.0
101.02312	12.2
113.02330	7.4
116.92750	9.4
117.92796	1.1
119.03385	3.3
125.02321	7.0
143.03415	2.4
161.04463	3.3
163.11168	4.2
165.12804	1.5
179.05527	2.2
193.18839	0.8
205.26419	1.0
209.11751	100.0
210.12119	5.7
221.06511	1.5
227.12820	13.0
235.08142	5.0
253.09154	1.1
255.23326	1.2
277.21628	1.3
281.24829	60.9
282.25186	5.2
287.07718	2.5
305.08865	1.9
323.09860	2.3
379.12317	8.2
397.13443	43.0
398.13876	2.3
415.14594	9.3
691.39966	1.0
889.50153	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	893.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01750	0.6
69.03323	1.4
77.25790	0.3
81.03335	1.5
83.01258	1.7
87.47544	0.3
91.99788	0.3
93.03298	0.4
95.01260	1.1
95.04922	0.9
96.95891	0.3
97.02831	2.8
98.19770	1.0
107.01264	1.5
107.04852	0.4
109.02834	8.6
109.03590	0.6
111.00774	1.0
121.02810	1.5
122.03622	0.7
123.00767	4.2
123.04395	4.5
124.01602	0.7
125.02331	66.1
126.02677	1.4
135.04446	0.6
136.98763	0.3
137.02328	7.2
139.00296	1.2
139.03891	0.7
140.01031	1.0
145.02827	2.0
146.03644	0.6
149.02350	2.3
150.03104	1.8
151.00301	0.5
151.03903	4.9
159.04379	1.6
160.05237	0.4
161.02390	0.7
161.05975	2.4
162.08035	0.4
163.03894	0.4
164.01060	1.1
165.01787	2.6
166.99796	4.0
167.03418	0.8
168.00513	3.9
169.01326	100.0
170.01678	3.1
173.05983	0.5
175.03870	0.7
175.07565	0.9
178.99744	0.7
179.03395	2.8
185.06007	1.0
187.03947	2.2
188.04703	1.3
193.01353	4.0
199.07542	0.4
201.05380	0.5
202.06232	0.8
203.07045	5.0
205.01468	0.6
205.04997	3.6
221.08104	0.9
227.07065	0.9
231.02887	0.4
245.04587	0.5
245.08139	7.3
246.08409	0.4
247.06047	0.5
253.04997	1.4
259.06149	0.7
271.06100	6.1
287.05637	0.5
288.06332	0.6
289.07159	39.1
290.07498	2.5
300.02744	0.4
302.04388	0.3
303.04871	2.2
315.05167	0.6
331.04541	2.1
440.07294	1.6
441.08209	57.8
442.08725	4.1
853.80212	0.4
893.17572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4645
Annotation	Nostophycin
Peak:m/z	Relative Intensity
70.79549	2.3
71.01245	25.8
72.99182	4.3
73.02808	4.0
78.95781	4.3
79.95622	2.7
81.33585	2.2
83.01245	2.7
85.02820	6.5
87.00734	6.0
89.02323	14.7
96.95887	59.4
96.96833	4.0
97.02801	2.6
97.06493	3.9
98.95457	5.5
99.00756	3.8
101.02335	16.2
113.02331	11.0
114.93284	2.9
116.92733	15.2
119.03362	3.6
125.02328	5.5
143.03323	2.3
151.11169	9.4
169.12247	69.6
171.10153	5.4
191.39047	2.1
191.89566	2.2
195.13992	4.9
197.11723	2.4
209.11787	25.9
210.12085	2.5
211.13425	10.6
213.11273	7.8
223.13390	4.6
227.12822	3.6
235.08290	3.7
243.03885	2.4
253.09221	2.8
275.20169	3.6
279.19730	14.2
291.19794	3.6
293.21265	13.9
307.19116	2.5
309.20837	4.4
327.21732	5.1
397.13702	12.1
415.14288	3.9
431.01859	2.5
512.18036	3.7
593.24274	3.3
646.97241	2.6
716.76331	2.6
851.45508	2.6
887.46558	100.0
888.46631	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	889.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03336	1.3
71.01247	18.8
72.99181	1.6
73.02813	3.5
75.00735	0.8
81.03334	1.2
83.01269	1.8
85.02811	5.3
87.00733	5.5
89.02314	13.9
95.01266	1.4
96.50945	0.4
97.02795	3.5
99.00756	1.4
101.02314	14.2
105.27299	0.5
113.02334	6.9
119.03366	3.8
121.02856	1.0
125.02322	7.1
125.09620	0.8
127.03933	0.8
127.11158	2.8
132.17386	0.4
139.03835	0.9
143.03392	2.7
149.04424	0.6
153.09122	0.7
156.54454	0.5
157.65735	0.5
161.04440	3.9
171.10168	100.0
172.10442	2.5
179.05511	4.0
199.06036	0.8
209.11765	3.3
217.07173	1.2
217.11928	0.6
221.06615	1.9
227.12849	0.6
235.08173	6.8
245.06721	0.6
253.09413	1.0
259.08209	1.4
263.07700	0.6
277.21701	72.4
278.21976	4.5
279.23380	0.9
281.24820	1.4
287.07697	2.3
291.23288	0.6
305.08789	2.5
323.09882	1.6
363.98730	0.5
379.12378	16.4
380.12698	0.8
397.13458	46.0
398.13864	2.3
415.14496	9.1
551.23224	2.4
569.24402	2.2
657.34802	1.6
675.35986	3.5
889.50323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98684	0.4
62.98411	0.2
68.54683	0.2
69.03324	0.9
71.01249	19.5
72.99174	2.0
73.02819	2.6
75.00742	0.3
79.95609	0.5
80.02554	0.9
80.96385	1.1
81.03326	2.6
83.01244	1.9
83.04890	5.1
84.02043	1.3
85.02822	4.1
87.00751	4.5
89.02317	14.7
93.03326	0.3
95.01246	1.3
95.04900	0.6
97.02819	2.9
99.00753	0.9
101.02317	13.4
108.07876	0.3
109.02784	0.5
109.06461	0.6
111.00723	0.4
111.04413	0.4
111.07983	0.3
113.02325	8.1
115.03877	0.3
119.03382	4.2
125.02334	5.5
125.05922	0.7
131.03368	0.7
133.05026	0.5
135.08057	0.7
139.03896	0.8
141.01820	0.5
143.03378	2.6
145.04977	0.3
149.04462	0.5
160.99864	0.2
161.04463	3.2
163.11194	4.9
163.12495	0.5
165.12770	3.0
167.03418	0.5
179.05516	3.9
181.12210	0.6
185.04425	0.2
191.10643	0.8
199.05949	0.3
199.13283	0.5
207.10144	0.6
209.11758	100.0
210.12100	4.7
211.13297	0.4
217.07085	0.8
221.06593	1.0
225.11446	0.3
227.12830	12.4
228.13213	0.6
235.08173	5.4
253.09221	1.1
259.08246	0.4
259.20694	0.2
263.07663	0.5
277.21707	49.9
278.22116	4.1
279.22586	0.3
287.07709	1.2
291.23099	0.5
305.08740	1.7
307.53360	0.2
323.09891	0.8
365.23334	0.2
379.12439	5.7
380.12567	0.4
397.13470	33.8
398.13727	2.7
415.14536	8.5
416.14941	0.6
449.72504	0.3
607.26349	0.7
675.36017	0.6
885.46765	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	885.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98682	0.3
69.03325	1.5
69.55672	0.2
71.01250	19.2
72.01609	0.3
72.99181	1.7
73.02809	2.5
75.00737	0.4
76.83883	0.2
78.48712	0.2
80.02502	0.2
80.64384	0.2
81.03346	1.4
83.01247	1.7
83.04890	1.3
83.63129	0.2
84.02040	0.4
85.02823	3.7
85.99916	0.3
87.00754	3.9
89.02314	13.8
95.01263	1.3
95.04895	0.3
96.95881	1.9
97.02821	2.6
97.06480	0.5
99.00766	1.1
99.04424	0.2
101.02320	12.7
109.02872	0.3
109.46221	0.2
111.00720	0.3
111.04420	0.5
111.08038	0.6
113.02332	7.7
113.09558	0.3
115.03845	0.4
119.03384	3.6
121.10125	0.4
121.99203	0.2
123.04414	0.2
125.02334	6.3
125.05890	0.2
125.09556	0.3
131.03381	0.9
133.04951	0.4
137.02242	0.2
139.03874	0.5
141.01804	0.6
143.03395	2.6
145.04901	0.2
149.04488	0.3
161.04457	3.6
163.11165	0.9
165.12738	0.7
167.10663	0.7
167.14281	0.6
171.10234	1.4
172.90953	0.2
177.12880	0.3
179.05542	4.4
179.14388	0.6
181.12271	0.4
183.13832	6.5
184.14215	0.4
191.10693	0.5
193.12279	2.0
195.13828	7.4
196.14409	0.8
205.12245	0.5
205.15897	0.3
209.11768	17.2
210.12123	0.6
211.13329	84.2
212.13696	3.3
221.06523	1.8
223.13344	4.9
224.13840	0.4
225.11325	0.4
225.14871	1.1
227.12888	1.9
228.13615	0.8
231.21118	0.4
235.08162	5.3
241.14453	1.0
245.06691	0.4
249.42232	0.2
253.09264	1.5
256.13080	1.1
259.08389	0.4
263.07751	0.5
265.21786	0.4
275.20129	5.9
276.20593	0.5
277.21713	6.9
278.22070	0.5
287.07755	1.6
289.18005	0.4
291.19690	0.5
293.21216	100.0
294.21539	6.1
305.08786	1.9
307.19263	0.6
309.20685	0.6
317.21173	0.5
323.09647	1.1
341.23218	1.2
355.47290	0.2
361.11121	0.3
379.12418	4.1
380.13043	0.3
397.13483	38.3
398.13846	2.4
415.14542	14.1
416.14874	0.7
426.58112	0.2
487.34268	0.7
591.26593	1.8
607.26141	0.4
609.27649	3.7
636.26471	0.3
654.70129	0.2
673.34534	1.0
691.35333	1.6
885.48529	0.7
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
69.03319	0.9
71.01252	13.3
71.04895	0.2
71.20108	0.4
71.40874	0.2
72.99172	0.6
73.02819	1.9
75.00745	0.4
80.02541	0.9
81.03329	2.0
83.01254	1.2
83.04893	4.9
84.02023	0.4
85.02341	0.3
85.02824	2.9
87.00748	3.0
89.02316	10.5
95.01264	1.0
95.04892	0.5
97.02822	1.9
99.00751	0.7
101.02320	9.2
101.02997	0.4
105.65947	0.2
109.02839	0.4
109.06490	0.3
111.04378	0.3
113.02327	5.7
113.05963	0.2
119.03387	3.0
124.01553	0.2
125.02330	5.5
125.05961	0.8
125.09561	0.2
129.17508	0.2
131.03392	0.4
135.08043	0.8
138.19353	0.2
139.03888	0.4
141.01802	0.4
143.03395	2.1
147.11732	0.2
149.04500	0.5
159.48849	0.2
161.04465	2.5
163.11188	3.8
165.12762	2.5
167.03416	0.5
173.09544	0.2
179.03363	0.2
179.03981	0.3
179.05530	3.4
181.12206	0.3
185.04379	0.3
191.10692	1.2
199.06105	0.2
199.13333	0.3
209.11763	100.0
210.12102	4.9
210.13962	0.4
215.05939	0.2
217.07101	0.9
221.06583	1.3
223.13382	0.4
227.12834	11.6
228.13226	0.5
235.08185	4.8
245.06607	0.3
251.12828	0.8
253.09251	0.6
259.08200	0.5
259.20544	0.3
263.07849	0.2
277.21710	42.5
278.22046	2.9
287.07706	1.8
291.23367	0.3
305.08829	1.6
323.09726	0.9
379.12439	6.1
380.12552	0.2
397.13486	29.7
398.13815	2.1
415.14548	8.3
416.15213	0.5
476.82953	0.2
497.20511	0.3
589.24884	0.3
607.25677	1.0
671.39459	0.2
675.35950	0.4
885.48602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19099	0.2
69.03313	1.0
71.01252	15.3
71.05150	0.4
72.99184	1.1
73.02816	2.6
75.00742	0.3
80.02543	1.1
81.03330	1.9
83.01249	2.0
83.04900	5.2
84.01593	0.2
84.02042	0.9
85.02819	4.5
87.00754	3.5
89.02316	13.8
91.03917	0.3
93.03308	0.4
95.01242	1.1
95.04893	0.7
97.02823	2.5
99.00773	1.1
101.02321	11.5
102.02646	0.2
104.06066	0.3
109.02886	0.4
109.06435	0.4
111.00723	0.3
111.04399	0.4
113.02332	6.7
115.03860	0.4
119.03387	3.5
121.02824	0.3
125.02344	5.5
125.05954	0.7
131.03372	0.7
133.04951	0.4
135.08028	0.7
137.02306	0.3
139.03899	0.4
141.01840	0.3
143.03409	2.3
149.04437	0.5
161.04460	3.1
163.11194	4.1
165.12773	2.6
167.03380	0.3
179.05528	3.2
181.12265	0.4
191.10710	1.2
199.06018	0.4
209.11765	100.0
210.12106	5.1
217.07082	0.5
221.06625	1.4
227.12819	10.3
228.13148	0.3
235.08189	4.5
245.06654	0.4
251.12857	0.5
253.09267	1.0
259.08408	0.3
263.07617	0.6
277.21713	49.4
278.19345	0.4
278.22092	3.7
287.07605	1.7
291.23038	0.3
300.90375	0.3
305.08707	1.9
314.49249	0.2
319.23093	0.3
323.09814	0.8
361.11444	0.3
379.12415	5.3
380.12521	0.3
397.13492	33.5
398.13855	1.9
415.14587	8.9
416.14896	0.6
607.25732	0.6
885.46674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4846
Annotation	Microtoenin A
Peak:m/z	Relative Intensity
61.98699	14.6
64.29795	0.5
66.26289	0.5
69.03317	1.8
71.01248	23.5
72.99180	1.8
73.02814	3.1
73.10321	0.5
75.00729	0.7
78.95743	0.5
81.03326	0.8
83.01259	3.0
83.04894	0.8
83.83081	0.4
85.02821	4.3
87.00750	5.0
89.02313	16.5
95.01261	1.8
97.02799	3.3
97.06463	0.5
98.19719	0.8
99.00757	1.5
101.02316	15.6
104.95824	0.5
106.70259	0.5
109.06462	0.8
111.00738	0.7
113.02322	7.2
115.32822	0.5
119.03365	3.6
121.02824	0.5
125.02323	4.6
127.03981	0.4
131.03371	1.1
143.03400	2.1
161.04462	2.8
163.11156	0.9
165.12764	8.2
179.05557	2.8
183.13818	68.6
184.14159	3.4
197.15472	0.4
199.13290	1.1
207.10188	1.7
208.10544	0.6
209.11777	7.9
210.12091	0.7
221.06560	2.9
225.11264	1.4
227.12825	7.1
227.42564	0.6
227.65936	0.5
229.65518	0.6
235.08151	2.7
236.08650	0.7
253.09320	0.7
277.21698	36.3
278.21991	3.5
293.21228	0.8
379.12396	2.0
397.13464	14.9
398.13843	1.8
415.14563	3.9
607.25812	1.5
625.26892	2.9
867.47363	0.8
885.48450	100.0
886.48798	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	885.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	1.2
69.03336	2.0
71.01251	30.8
72.99191	2.6
73.02815	4.3
75.00742	0.9
78.95765	0.6
79.95602	1.2
81.03342	1.7
83.01263	3.2
83.04897	3.4
84.02058	0.6
85.02831	6.4
87.00751	6.7
89.02316	23.4
95.01263	2.9
96.95895	5.7
97.02833	5.5
97.06469	1.5
99.00767	1.4
101.02318	21.6
101.02994	0.7
109.02823	1.2
109.06470	1.3
111.00777	0.6
111.04399	1.0
111.08051	1.3
113.02327	12.3
116.92737	0.9
119.03397	5.5
123.04388	0.7
125.02338	8.2
125.09595	0.8
127.03881	0.7
131.03392	1.5
133.04942	1.5
139.03909	0.8
141.01794	1.3
143.03383	4.0
149.04407	0.7
159.02928	0.6
161.04465	5.6
163.11162	2.1
165.12761	2.2
166.23102	0.5
171.10167	2.7
177.12761	0.5
179.05544	6.8
179.14200	0.7
181.12259	2.0
183.13818	7.1
184.14130	0.6
185.04382	0.5
191.10713	1.0
193.12259	3.7
195.13820	7.5
197.11771	1.6
199.06133	0.6
199.13316	9.9
200.13589	0.8
205.12294	0.6
207.10126	1.1
209.11765	49.8
210.12148	2.0
211.13332	80.0
212.13715	4.0
217.07146	0.6
221.06601	2.5
223.13295	5.2
224.13762	0.7
225.11334	0.8
225.14931	1.8
226.11693	0.6
227.12840	29.6
228.13277	1.6
229.14345	1.6
229.82651	0.7
231.21236	0.8
235.08220	8.2
241.14334	2.8
243.15881	0.6
245.13963	0.9
245.19070	0.9
253.09218	3.7
253.14679	0.6
256.12915	0.9
263.07825	0.8
270.09906	0.5
275.20087	7.0
277.21707	34.3
278.22122	1.9
287.07666	2.6
289.18042	3.4
291.19647	1.1
292.20074	0.6
293.21219	100.0
294.21564	6.5
305.08664	3.4
307.19116	2.9
309.20694	1.9
323.09702	2.4
341.23309	10.0
361.11246	0.6
379.12424	7.1
397.13486	57.8
398.13889	3.4
415.14581	17.0
416.15042	1.0
469.33298	1.6
591.26526	2.3
607.26099	4.0
608.25732	0.7
609.27509	4.7
625.27094	5.3
627.01172	0.6
673.34161	1.4
691.35266	2.1
885.48193	6.0
886.30566	0.6
886.48218	1.1
888.33557	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4847
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	88.3
69.03322	1.3
69.43790	5.6
69.44198	1.6
71.01249	23.4
72.99161	2.1
73.02811	3.1
78.95761	3.4
80.80930	1.0
81.03341	1.3
83.01254	2.7
85.02828	5.6
87.00739	3.3
89.02313	17.2
93.03429	1.0
95.01237	1.9
96.95908	1.1
97.02842	4.5
97.06444	1.2
98.20509	1.5
99.00737	1.3
101.02320	13.6
111.08000	1.4
113.02312	9.0
119.03368	3.2
124.90630	1.0
125.02302	4.7
141.01830	1.3
143.03416	1.1
161.04469	3.4
163.11191	1.6
165.12796	5.8
171.95386	0.9
179.05493	2.9
181.66264	1.0
183.12166	2.4
183.13823	47.0
184.14229	1.9
199.13300	1.7
201.11029	1.0
207.10243	1.3
209.11729	8.7
217.85335	1.0
221.06581	2.9
225.11218	3.2
226.11308	1.2
227.12831	8.9
235.08150	2.6
241.01428	1.0
277.21704	54.9
278.22009	4.6
293.21173	1.0
342.09488	1.1
379.12411	1.8
397.13467	16.2
398.13928	1.6
415.14700	4.5
491.77557	1.0
607.25775	1.4
625.26715	1.6
748.21088	1.1
885.48486	100.0
886.48816	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	883.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98703	19.0
69.03307	2.1
69.51794	7.5
71.01252	37.2
72.01604	1.3
72.99165	3.1
73.02821	4.8
79.95611	1.0
80.02563	1.9
80.07906	0.9
80.96376	4.7
81.03329	4.5
83.01249	4.4
83.04887	4.4
85.02818	7.5
87.00758	7.5
89.02314	26.8
95.01251	2.4
95.04903	1.8
96.95892	2.2
97.02821	14.2
97.06495	1.3
99.00754	4.2
101.02321	22.1
109.06472	29.2
110.03612	1.7
111.00786	1.8
111.04440	1.7
113.02323	10.7
119.03383	7.2
121.06474	1.9
125.02329	10.1
131.03384	1.4
135.08057	5.3
136.05203	2.4
141.01794	2.0
142.02594	4.4
143.03380	4.1
161.04446	4.8
161.09622	3.6
163.11188	22.8
165.12691	0.9
171.10149	1.1
175.02376	1.4
179.05484	6.0
179.10638	1.6
181.12277	4.6
189.09093	3.0
201.11243	11.9
202.11525	5.2
207.10193	100.0
208.10559	2.9
209.11740	19.7
210.12099	6.1
211.13344	1.5
221.06607	3.4
225.00587	1.4
225.11252	42.0
227.12820	3.2
235.08180	8.4
243.12306	1.6
253.09238	2.9
255.23221	10.6
256.23605	6.7
257.23871	1.2
277.21707	76.3
278.22003	5.3
285.12833	1.0
287.07770	2.6
292.20053	1.4
293.21167	3.1
294.21307	1.3
295.22363	1.1
299.15216	1.4
305.08719	2.0
309.20688	2.1
310.20966	1.3
315.23505	1.0
323.09671	2.1
379.12460	7.4
380.12656	1.6
397.13461	56.6
398.13766	6.5
399.14005	3.1
415.14551	14.1
416.14764	1.2
584.56445	1.0
587.23749	1.4
605.24908	6.8
623.25641	5.3
655.37567	1.5
675.36230	1.5
883.46790	51.7
884.47113	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	883.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98701	100.0
62.98414	0.7
63.99104	0.6
69.58264	0.5
71.01258	2.6
71.78178	0.7
72.99184	0.7
78.95776	1.8
79.43746	0.6
80.96383	0.7
85.02841	2.2
87.00764	1.0
89.02316	1.8
97.02818	1.3
99.61146	0.6
101.02339	1.4
109.06486	1.0
111.08117	0.6
113.02338	1.3
125.02352	0.9
125.09609	0.7
126.90340	1.0
127.00111	0.7
130.16487	0.7
144.55380	0.6
152.99484	1.0
161.04567	1.0
163.11250	0.8
171.10187	5.2
207.10246	3.1
209.11774	0.8
211.13353	3.3
225.11243	3.6
229.14400	1.0
235.08263	2.1
253.09251	4.6
277.21692	15.5
277.24435	1.0
278.22174	1.7
279.23279	1.3
291.19653	1.7
295.22662	1.4
309.20721	3.3
327.21732	16.0
327.25269	1.0
328.22079	0.7
379.12674	0.7
382.28702	0.6
397.13596	3.1
404.16086	0.8
511.91714	0.6
545.30145	1.2
563.30798	1.2
623.25635	1.0
644.65570	0.7
883.47150	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	883.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01746	0.7
69.03308	2.2
69.53020	2.5
69.53445	2.7
81.03338	0.8
83.01266	1.2
93.03322	0.8
95.01239	1.0
97.02820	3.4
107.01282	1.0
108.16445	0.7
109.02819	8.3
121.02841	1.8
123.00777	2.2
123.04408	4.6
125.02332	65.7
126.02657	1.3
137.02351	6.3
138.72633	0.8
139.00264	1.0
139.03825	1.4
140.01071	1.5
145.02863	1.4
146.03598	1.4
149.02348	1.2
151.03905	4.7
159.04413	1.9
160.05060	0.8
161.06009	2.8
164.01074	1.3
165.01820	1.5
166.99774	3.1
168.00587	1.0
169.01328	100.0
170.01674	2.6
175.03897	0.9
179.03375	1.6
187.03979	2.1
188.04681	1.0
193.01375	4.1
203.07047	4.6
205.01375	0.8
205.04996	2.2
221.08102	0.9
227.06963	1.0
245.08186	6.2
253.05060	1.0
259.05673	0.9
271.06082	6.5
289.07159	49.6
290.07492	2.5
303.01999	0.9
303.05121	2.6
331.04651	2.1
397.09421	1.2
415.58661	0.7
441.08228	81.4
442.08539	6.1
468.23193	0.9
791.81317	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98688	22.0
66.55954	4.0
70.01438	8.9
70.01852	13.0
71.01253	26.8
73.33826	3.6
73.41903	4.5
73.53033	4.6
87.00745	4.9
89.02321	12.0
96.95887	54.5
99.00748	4.5
101.02323	10.6
111.57175	4.1
113.02319	8.8
119.03400	5.9
125.02315	15.5
125.51977	4.6
132.14056	3.5
161.04405	5.4
171.10165	5.8
183.13815	5.5
195.13847	10.2
205.12268	5.7
209.11713	9.5
211.13335	100.0
223.13338	62.2
225.11191	5.1
251.01782	4.5
287.68204	4.1
289.18195	5.5
291.19727	7.4
330.28171	5.2
341.23169	7.3
379.12555	6.3
397.13449	29.0
415.14572	8.7
591.26428	14.3
603.26379	14.2
609.27679	13.3
621.27496	15.8
797.39484	6.7
815.40607	17.1
883.40747	63.2
884.41229	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	883.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98687	3.7
62.31973	1.6
69.03308	1.9
70.87543	3.6
70.87865	1.6
71.01250	100.0
72.99178	2.7
73.02827	3.2
80.02553	1.8
81.03326	2.2
83.01270	2.5
83.04885	6.7
85.02814	6.1
87.00739	4.1
89.02309	18.8
95.04971	1.5
96.95908	1.7
97.02835	6.3
97.06468	1.9
99.00749	4.6
101.02316	13.8
107.04817	1.5
108.70219	1.5
109.06466	12.9
111.00683	2.1
113.02357	8.5
119.03388	3.2
125.02315	7.5
125.09588	3.2
129.39397	1.7
135.08028	2.4
136.05093	1.6
143.03380	2.4
145.02831	1.8
147.11761	1.5
150.03168	1.7
153.12830	1.6
161.02341	1.9
161.04424	3.2
163.11205	10.6
171.10159	15.5
175.02316	2.3
176.83232	1.5
179.05492	4.3
181.12286	7.0
189.09160	2.0
191.10745	1.8
193.04926	2.0
197.11807	2.5
199.13225	4.1
201.11327	8.5
207.10188	36.7
207.12135	2.1
208.10628	2.3
209.11755	87.7
210.12111	5.6
211.13493	1.6
221.06575	2.1
223.09674	6.2
223.13274	1.6
225.11249	34.2
227.12791	10.6
235.08229	3.9
243.12286	5.7
253.09148	1.8
324.74908	1.9
343.51016	1.5
379.12415	2.5
397.13492	19.5
415.14502	8.6
605.24548	3.2
623.25446	5.6
732.64575	1.9
761.16571	1.7
772.25775	1.6
778.58691	2.1
797.36780	2.2
833.37640	6.7
834.38367	3.2
851.39288	5.2
883.41699	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	881.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	2.1
63.50895	0.3
68.33421	0.2
69.03296	3.4
71.01250	21.2
71.04865	0.8
71.19528	0.3
71.19883	0.2
72.01573	0.2
72.99170	2.2
73.02818	3.0
75.00731	0.9
76.88589	0.3
78.95774	1.0
80.96387	0.6
81.03321	0.9
83.01269	2.1
83.04901	0.6
85.02820	3.7
85.06446	0.5
87.00744	5.0
88.20794	0.2
89.02314	17.0
90.02666	0.3
92.18063	0.2
93.03343	0.4
95.01261	1.3
95.04917	0.3
97.02822	2.6
97.06486	0.3
99.00743	1.7
101.02314	14.8
109.02851	0.3
109.06472	0.8
111.04383	0.5
113.02322	8.3
115.03953	0.3
119.03378	4.4
121.02791	0.5
124.01499	0.3
125.02329	6.8
125.09634	0.3
127.07482	0.3
131.03378	1.1
133.01413	0.3
139.03888	0.8
143.03407	2.7
149.04445	0.3
149.09634	0.7
152.99437	0.3
155.03276	0.2
161.04468	3.8
161.13242	0.6
167.03389	0.6
167.10678	3.1
171.10132	0.5
177.12784	0.6
179.05534	5.6
179.10686	1.2
179.14334	3.4
185.11755	0.3
188.70415	0.3
195.13832	10.0
196.14162	0.4
199.06110	0.5
205.12262	9.6
217.07077	0.9
221.06551	2.1
223.13332	100.0
224.13654	3.7
235.08160	5.7
241.01056	0.7
245.06577	0.4
253.09242	1.2
255.23288	1.0
259.08246	0.5
259.20496	0.3
263.07751	0.8
265.14468	0.6
277.21707	55.9
278.22076	3.2
287.07648	1.5
291.20032	0.4
293.21271	0.4
305.08810	2.2
323.09805	1.8
327.21805	0.4
361.11530	0.4
379.12405	6.2
380.12735	0.4
397.13467	40.1
398.13739	1.9
415.08911	0.6
415.14508	9.3
427.19827	0.3
603.26532	7.1
604.27039	0.6
621.27637	8.9
622.28137	0.8
657.34662	0.4
675.36267	1.1
881.49487	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	881.5317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	16.8
66.64135	2.7
71.01246	12.7
71.97899	3.3
78.95775	66.3
80.96370	7.6
85.02827	6.9
89.02301	7.2
95.04879	3.4
95.35971	3.5
96.96838	13.3
97.02848	3.5
97.06499	5.3
101.02303	4.9
113.02290	2.7
125.09602	7.1
127.07560	5.6
152.99475	13.1
153.09114	9.3
165.12778	3.9
171.10158	34.5
185.11732	5.9
197.11713	7.5
209.11742	42.2
211.13387	14.8
218.36665	3.8
222.99922	3.4
223.13350	9.1
225.00671	3.7
229.14488	10.6
235.08287	3.8
238.12051	3.3
241.01112	35.1
253.09193	10.2
255.23239	31.0
256.23752	4.8
277.21698	71.7
278.22061	5.8
289.18082	13.2
291.19547	4.7
307.19122	59.1
308.19382	5.6
325.20236	29.9
327.21750	19.3
474.19681	3.3
525.26849	3.4
543.28162	20.7
561.28815	3.7
635.25287	3.8
653.35199	3.3
675.38904	4.1
734.42603	5.4
771.48804	3.5
803.49243	17.8
821.50500	3.3
881.50146	100.0
882.50287	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	881.4016
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.98697	4.1
66.91443	1.0
69.03327	6.9
71.01250	21.7
71.04891	1.9
71.58155	1.2
72.99180	3.5
73.02836	2.4
75.00762	4.9
80.02560	2.1
81.03329	3.3
83.01264	2.9
83.04903	6.8
84.02044	2.5
85.02845	6.2
87.00749	6.5
89.02319	15.8
92.58563	1.0
95.01259	2.3
95.04914	2.0
96.95891	3.1
97.02827	4.2
99.00771	2.4
101.02327	14.0
113.02331	6.8
115.00247	6.6
119.03378	2.9
121.02859	1.2
123.08107	2.0
125.02325	4.4
125.09613	3.7
129.01793	1.5
135.08063	1.5
143.03334	1.7
144.96077	2.3
151.11220	5.2
153.12732	1.2
161.04439	1.3
161.09607	4.5
163.11217	7.7
165.12764	3.8
169.12234	1.6
171.10165	4.5
175.02397	8.1
179.05547	2.5
179.10683	8.1
181.12311	1.3
184.08710	1.4
188.95053	3.5
190.94765	1.9
191.10724	1.5
197.11761	60.5
198.12170	3.1
199.13373	1.3
209.11769	100.0
210.12070	4.6
221.06691	2.7
223.09665	1.9
227.12849	8.6
241.10728	4.8
253.09230	1.3
279.32813	1.1
281.86755	1.2
285.13705	1.1
318.04456	1.1
397.13635	5.3
415.14603	2.0
549.30347	1.2
713.33984	2.5
723.98047	1.5
731.34796	6.6
802.76721	1.1
803.37164	1.3
849.37579	78.8
850.38031	13.8
881.40399	34.0
882.40649	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	881.23
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03342	0.4
69.38047	0.3
71.01254	0.5
71.11942	0.8
83.01260	0.7
93.03322	1.0
96.95875	0.6
97.02812	0.5
109.02827	2.2
111.00714	0.4
117.03358	0.7
119.04958	1.9
121.02817	1.8
123.04382	1.4
125.02324	4.0
132.02074	0.5
135.04312	0.4
137.02339	3.9
139.03896	0.7
145.02834	3.0
149.02341	1.2
150.03099	0.4
150.62712	0.4
151.03917	1.0
159.04437	0.3
161.05959	0.5
163.00124	0.4
163.03896	1.8
164.01062	0.4
165.01866	2.0
167.03410	0.6
169.01300	0.4
175.03934	0.6
177.01854	1.5
178.02638	0.4
179.03470	0.5
187.03937	0.6
189.01865	0.9
190.02568	0.4
197.06012	0.8
199.07610	0.4
201.05531	0.8
203.07051	1.1
205.04968	0.9
209.11745	0.9
217.01346	1.3
225.05534	1.3
227.03474	4.5
227.07048	0.7
228.03902	0.5
240.04305	1.0
241.05019	43.5
242.05417	2.9
243.06575	1.9
245.08076	2.0
245.67366	0.3
253.04985	2.2
253.08817	0.4
255.02974	6.2
256.03494	1.1
257.04190	0.4
269.04532	24.9
270.05115	5.1
271.06030	2.4
281.04626	0.5
284.03439	0.8
289.07159	16.7
290.07446	1.0
298.04807	52.6
299.05566	45.5
299.09152	0.7
300.05936	2.8
302.04419	0.6
341.06598	3.0
357.48172	0.4
435.10748	4.5
436.11179	0.7
445.11371	100.0
446.11728	9.6
783.92407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02273	0.3
65.00177	0.9
83.01281	0.3
98.19781	1.1
107.01279	1.9
108.02057	0.9
109.02807	0.6
110.93862	0.3
121.02850	0.9
125.02372	0.5
131.30629	0.3
135.00771	0.6
148.01558	0.9
151.00267	6.4
152.01103	0.3
153.01790	0.3
159.04288	0.3
161.02322	0.3
163.00302	1.7
164.01035	0.5
169.01334	0.5
171.04425	0.4
174.03133	0.3
178.99786	3.1
183.04425	0.5
190.99890	0.4
192.71205	0.3
199.03918	0.9
203.03464	0.3
211.03915	0.6
213.02007	0.3
215.03458	0.7
216.04182	0.4
226.02710	0.9
227.03426	4.0
229.05040	0.4
229.98537	0.5
241.01274	0.5
243.02943	7.1
244.03566	0.7
245.04495	0.7
254.02213	1.4
255.02954	20.3
256.03326	1.7
258.01733	0.4
269.00812	0.9
271.02457	40.3
272.02930	2.8
273.03821	0.5
283.02383	0.5
284.03210	3.1
285.03909	1.0
286.01245	0.5
287.01953	0.9
297.00366	1.1
298.00867	0.4
299.01978	1.3
300.02728	81.6
301.03427	20.3
302.03854	1.1
315.01553	1.5
419.05981	0.4
433.07718	100.0
434.08014	8.4
434.13943	0.5
442.11191	0.3
447.04236	0.7
447.10104	6.8
448.09955	0.3
466.65933	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39510	0.6
63.02254	1.1
65.00185	2.8
72.99187	0.7
74.53496	0.6
77.91673	0.6
83.01244	2.5
93.03346	1.3
98.20554	1.5
107.01273	7.0
109.02818	1.0
119.04927	1.0
121.02177	0.6
121.02868	5.9
125.02319	2.0
133.02792	0.7
135.04367	1.0
135.57208	0.8
151.00262	27.3
152.00552	0.8
161.02338	1.1
163.00267	1.8
163.03897	2.7
165.05434	3.0
169.01350	4.2
178.99760	13.5
179.03398	0.9
187.03935	0.9
203.03412	0.6
211.03766	0.9
212.04727	0.7
227.03441	28.3
228.03793	1.6
229.04974	2.0
243.02939	3.2
245.04424	1.0
255.02951	40.7
256.03583	6.0
257.04514	1.1
271.02399	8.2
271.05014	0.7
272.03076	2.2
273.03952	1.4
283.02368	1.3
284.03241	53.8
285.03894	13.0
289.07101	0.6
299.02084	0.8
300.02728	22.8
301.03503	100.0
302.03937	5.7
417.08237	72.3
418.08743	5.7
433.07684	7.1
437.83521	0.6
445.07724	5.3
447.09357	5.9
453.92191	0.7
463.08780	28.3
464.09219	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	881.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03330	1.4
81.03329	2.6
83.01256	3.3
93.03333	1.8
94.10093	0.9
95.01279	1.4
97.02813	2.2
104.37053	0.9
107.01260	2.0
107.04894	1.1
109.02126	1.6
109.02825	15.8
115.58278	0.9
117.03336	1.2
121.02844	3.1
123.00742	2.4
123.04383	9.7
125.02327	100.0
126.02641	2.6
131.04918	1.5
133.02846	4.8
135.04402	4.7
137.02325	13.8
139.03931	2.0
145.02879	5.0
147.04382	1.3
149.02316	4.2
150.03101	2.5
151.00243	2.5
151.03908	12.1
158.03633	1.0
159.04414	7.3
159.29205	1.0
161.02345	23.2
161.03693	1.4
161.05968	4.2
162.02972	1.1
163.00253	2.1
163.03877	4.3
164.01080	5.0
165.01801	2.6
165.05466	2.4
168.62711	0.8
169.01335	28.7
173.05907	1.2
173.29425	0.8
175.03906	10.3
177.01846	7.7
177.05496	1.8
179.03438	1.3
183.04411	2.3
185.02371	1.0
185.06007	3.7
187.03944	7.3
188.04520	1.6
189.01741	1.6
193.01324	2.7
193.05009	2.1
197.06036	2.3
199.03929	4.7
201.01691	2.1
201.05443	3.7
203.03479	2.8
203.07079	4.5
205.04973	4.0
209.06013	1.1
211.03847	2.0
213.05466	2.1
215.03477	2.0
217.04982	3.3
219.02933	1.0
224.04675	1.0
225.05527	4.3
227.03352	4.3
227.06966	1.6
229.04947	4.0
231.02908	3.3
241.05019	2.7
243.02884	9.0
243.06517	2.6
245.04478	6.3
245.08211	5.6
253.04971	3.4
255.02936	10.2
256.03720	4.2
257.04602	4.8
267.02942	1.6
268.03677	1.2
269.04507	30.2
270.04889	2.5
271.02600	2.0
271.06094	8.3
273.04044	1.9
280.03607	1.1
281.04575	6.2
283.02594	1.5
283.05951	2.4
285.03998	5.4
287.05576	13.7
288.05981	1.2
289.07144	25.1
290.07465	1.5
297.04013	1.9
297.07355	1.0
299.05518	1.4
300.02649	3.6
301.03387	2.7
303.04996	4.6
309.04095	1.4
309.07748	1.1
311.05759	1.1
313.03461	2.7
321.07510	1.4
339.08719	2.7
345.07217	1.0
349.01999	1.0
351.08792	1.2
363.08893	2.1
381.09711	1.7
389.06677	5.6
395.07507	2.0
401.06970	1.2
405.05737	0.9
407.07675	69.4
408.08200	5.7
408.12601	1.0
415.08270	2.0
419.07733	4.9
425.08621	2.5
431.07574	1.8
433.09070	6.7
439.06772	1.4
441.08154	6.5
445.07977	1.4
447.09427	1.9
449.08789	1.6
451.10315	5.4
505.36169	0.9
523.09863	1.2
525.31390	1.0
541.11273	12.9
542.11707	1.6
543.12482	1.3
549.09875	0.9
559.12744	22.5
560.12952	2.0
577.10895	7.9
585.10291	1.0
603.11469	6.3
621.59143	0.9
711.13324	6.3
729.14618	25.1
730.14935	2.5
755.12366	1.5
788.67151	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	0.9
66.13046	0.6
69.03338	0.9
71.01248	7.2
72.99176	0.8
73.02814	1.1
73.23549	0.6
74.63517	0.6
78.95750	0.6
81.03323	1.4
83.01245	2.2
85.02799	0.9
87.00761	1.5
88.53098	0.6
89.02328	4.8
89.04045	0.6
95.04888	0.9
97.06466	2.0
99.00697	0.7
101.02320	6.1
109.02769	0.9
113.02325	3.3
119.03395	0.9
123.04388	1.1
123.07978	1.1
125.02313	0.8
125.09601	3.3
134.52515	0.7
137.09583	1.1
143.03470	0.9
161.04442	1.9
161.09573	0.7
163.11189	2.7
167.10713	0.8
171.10153	3.9
174.46471	0.9
185.11713	3.4
191.14311	5.0
195.13817	7.5
196.14500	0.8
201.11230	1.1
207.10207	2.5
209.11794	8.3
210.11964	0.8
223.13380	5.5
225.11223	3.9
229.48177	0.7
231.20996	0.8
235.08237	3.4
237.11249	3.1
245.19135	8.4
253.09245	22.6
255.23267	3.8
256.12970	0.9
263.20163	2.2
269.25629	0.8
271.17166	1.0
275.20187	7.1
276.20593	0.7
289.18091	49.7
290.18408	2.6
291.19702	1.7
293.21219	100.0
294.21582	7.4
307.19135	42.9
308.19458	2.4
309.20804	1.3
374.70346	0.8
379.12424	0.9
397.13416	2.4
436.00885	0.9
455.73499	0.7
525.26965	1.5
543.28308	1.2
583.40295	1.5
681.35028	1.0
879.48328	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85419	5.6
71.01243	37.1
71.04901	2.8
73.02825	7.6
78.95780	6.6
83.01234	2.6
85.02821	9.5
87.00751	10.5
89.02317	25.9
97.02823	10.9
97.06493	4.1
99.00755	10.7
99.56917	2.2
101.02308	25.0
109.06486	4.9
111.08052	3.5
113.02301	11.0
119.03370	7.6
125.02350	9.2
125.09616	9.4
137.09579	2.7
141.01839	3.0
143.03358	4.2
147.08092	2.8
161.04446	8.4
163.11165	6.3
171.10178	50.6
172.10497	3.2
179.05495	6.0
181.12221	8.5
185.11731	6.0
191.14259	4.4
195.13794	11.2
197.11736	7.3
201.11285	10.7
205.90860	2.6
207.10202	28.6
209.11798	10.5
211.13245	3.5
223.13281	6.3
225.11278	55.8
226.11644	4.3
235.08174	9.5
243.12315	10.1
245.19116	9.3
253.09299	27.4
255.23256	78.0
256.23642	8.7
275.20209	5.8
289.18097	58.2
291.19632	27.4
293.21213	100.0
294.21579	7.9
305.08859	3.0
307.19135	42.8
309.20700	12.5
310.21194	2.7
379.12439	14.3
397.13458	40.4
398.14230	2.4
415.14554	9.2
517.72223	2.7
525.26685	2.4
549.08362	2.6
605.24292	6.3
623.25543	4.5
653.36841	3.7
745.78369	2.7
861.48669	35.9
862.48926	7.7
879.48523	11.6
905.85455	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	881.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03307	1.8
69.42711	4.5
69.43130	2.8
71.01260	0.9
72.99152	1.2
76.43473	0.8
83.01254	3.7
86.92814	0.7
87.32773	0.8
88.22128	0.8
93.03320	1.1
95.01259	1.8
97.02818	2.8
97.13204	0.7
98.19705	1.6
107.01283	1.6
109.02837	13.9
121.02811	2.1
122.03587	0.9
123.00724	3.0
123.04423	6.2
124.01534	1.1
125.02333	100.0
126.02657	2.3
133.02840	3.4
135.04419	3.3
137.02353	11.7
139.67523	0.9
145.02846	5.2
149.02284	4.4
151.03888	7.9
159.04457	5.6
160.05061	1.0
161.02351	23.1
161.05934	2.6
162.03128	2.4
163.00267	2.1
163.03883	3.4
164.01022	3.9
165.01842	4.3
168.99944	1.5
169.01320	22.6
175.03912	7.8
177.01808	6.3
179.03348	2.6
183.04449	3.2
184.05223	0.9
185.05928	3.0
187.03841	4.9
189.01877	1.5
193.01331	3.3
196.05219	1.1
197.05997	0.9
199.03893	3.9
200.04675	1.1
201.01891	1.1
201.05421	4.5
203.03484	1.9
203.07050	4.3
205.01364	1.5
205.04982	3.3
211.03946	1.7
212.04480	0.8
213.05469	2.0
215.03334	1.5
217.04947	2.5
219.03011	1.4
219.10249	1.0
225.05600	3.8
227.03436	2.9
227.06990	2.1
228.04150	1.3
229.04979	3.9
231.02827	2.5
237.05553	1.3
241.05011	2.7
243.02975	6.1
243.06639	2.1
244.03362	1.3
245.04544	6.6
245.08122	5.5
253.05006	3.2
255.02925	7.3
256.03638	3.1
257.04507	4.6
265.08737	1.4
267.02863	1.2
269.01566	1.7
269.04526	32.3
270.04886	2.9
271.06152	9.3
273.03876	1.5
277.08478	1.1
281.04504	3.8
283.02396	2.1
283.05777	1.6
285.04047	4.2
287.05603	13.4
289.07181	24.2
290.07458	1.1
297.04065	1.1
303.05023	3.1
309.03973	1.9
309.07388	0.9
311.05527	1.3
313.03473	2.3
321.07443	2.2
323.05579	1.5
339.08661	2.5
345.56012	0.9
355.61389	0.9
360.37921	1.0
363.08600	2.0
377.37787	0.9
381.09558	1.6
389.06369	4.3
392.76648	0.9
395.07803	1.6
403.19720	1.1
407.07700	50.3
408.08002	3.0
415.08340	1.2
419.07684	5.0
420.07120	1.1
425.08652	1.6
431.07571	2.0
433.09177	5.7
436.54553	0.9
439.06494	0.9
441.08380	6.6
449.08621	2.1
451.10226	3.3
497.12680	1.1
541.11407	9.6
542.11426	1.2
559.12756	18.9
560.12439	1.9
577.12640	6.4
603.11615	6.0
711.13196	3.8
729.14471	17.5
730.15393	1.3
880.32135	3.1
881.15100	1.4
881.31842	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
68.74480	0.7
69.46116	7.0
69.87511	0.8
91.21151	0.8
98.19796	1.8
107.01284	1.3
121.02796	1.3
151.00229	3.4
154.59030	0.8
158.93539	0.9
163.00224	1.0
178.99820	1.9
179.04968	0.8
206.41545	0.9
227.03474	3.8
243.02948	5.6
255.02942	17.3
256.03348	1.3
257.04501	2.0
270.99704	1.5
271.02457	17.3
272.03204	4.6
274.86368	0.9
283.02408	2.1
284.03195	2.3
285.04095	4.5
299.02066	1.5
300.02710	28.2
300.06088	1.7
301.03488	30.6
302.03775	2.3
431.09836	4.8
447.09299	100.0
448.09622	9.2
704.69373	0.9
800.68103	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91014	1.3
69.03308	2.5
71.01254	24.1
71.04893	2.7
72.99152	3.4
73.02805	5.1
75.00751	1.7
78.95759	2.0
81.03307	2.2
82.27602	1.6
83.01251	3.2
85.02834	8.8
87.00734	5.8
89.02316	22.5
95.01258	2.7
96.95862	3.7
97.02821	9.2
99.00742	14.2
101.02317	19.3
102.68273	1.4
109.06477	4.0
111.08032	4.6
113.02312	7.3
119.03360	5.1
125.02318	7.8
125.09621	8.6
130.86974	1.5
136.29533	1.7
142.02559	1.6
143.03419	1.9
161.04420	4.6
163.11195	9.6
165.12793	1.7
171.10188	28.6
174.17139	1.6
179.05608	2.3
179.10684	1.6
181.12270	16.3
197.11775	10.2
199.13268	10.8
201.11296	4.6
207.10204	28.5
209.11632	3.4
221.06593	2.3
225.11263	47.4
226.11563	2.4
235.08185	4.6
243.12341	11.8
253.09279	4.9
255.23268	84.3
256.23602	5.4
289.18121	5.4
291.19641	35.3
293.21030	2.4
307.19086	4.9
307.86005	1.7
309.20703	15.4
379.12421	7.0
387.50412	1.6
397.13501	25.0
415.14374	4.3
527.28790	2.1
605.24817	3.0
623.25861	3.1
861.48340	16.0
879.49585	100.0
880.50061	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	879.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98697	10.5
67.15511	2.1
69.03391	2.4
69.06682	2.7
71.01250	18.2
71.02972	2.0
73.02826	2.9
78.95774	7.3
89.02308	4.8
96.96883	2.2
97.06461	5.8
99.00697	2.4
101.02324	9.3
111.08013	2.8
113.02305	4.3
116.92772	2.8
125.09607	2.4
135.66693	2.3
137.36580	2.8
151.11153	3.4
164.56680	2.4
165.12746	4.4
171.10193	4.9
181.12270	4.0
195.13817	9.0
197.11787	3.1
209.11763	16.7
211.13387	3.0
223.13322	7.1
225.11330	3.5
227.12823	7.2
235.08156	4.1
245.19058	4.5
253.09344	12.2
253.11639	2.4
254.66937	2.6
255.23280	8.3
263.20129	11.6
275.20068	3.7
277.21707	5.3
289.18018	13.5
293.21210	100.0
294.21561	5.4
307.19122	41.9
397.13275	3.1
445.20581	6.9
455.27383	2.7
543.28076	10.3
721.41785	3.8
722.31506	2.8
752.33746	2.9
819.49432	4.9
867.17529	3.1
879.48474	11.1
880.47925	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	875.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99166	3.6
61.35842	2.3
68.12684	2.5
71.01251	7.2
75.00761	3.2
78.95760	3.5
85.02834	3.0
87.00721	4.0
88.98677	23.4
89.02309	9.1
96.95872	9.7
98.20651	3.9
103.48335	2.3
113.02319	2.7
116.92732	12.3
125.02298	4.4
171.10150	8.6
186.30193	2.6
195.13768	4.2
209.11723	4.7
211.13316	7.5
223.13388	4.1
229.14252	6.1
230.00507	3.3
235.08133	8.4
253.09259	51.4
268.04254	2.4
275.20078	4.7
287.41537	2.5
291.19690	6.5
293.21201	100.0
294.21573	7.5
309.20636	10.9
327.21750	87.5
328.21921	8.1
463.97360	2.9
529.30072	7.9
530.30493	2.8
545.29620	7.7
563.30914	17.7
603.43036	5.2
622.05121	2.5
839.51221	5.8
875.49127	34.6
876.49438	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	877.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03316	5.8
71.01250	18.4
71.04876	1.6
71.11794	1.4
72.99149	1.5
73.02798	2.3
74.24424	0.6
75.00732	0.6
83.01251	2.4
85.02818	4.2
87.00747	2.7
89.02310	11.2
93.03349	0.6
95.01281	1.0
97.02805	2.5
99.00729	1.3
101.02324	12.2
109.77081	0.6
111.04366	0.6
113.02312	4.5
114.05959	0.6
116.92687	0.6
119.03398	2.9
121.02828	1.3
122.70702	0.6
123.08005	1.5
125.02325	3.0
125.09605	2.0
136.03304	0.6
136.98633	0.7
143.03404	1.4
145.71767	0.6
151.11136	2.7
153.12759	0.9
161.04486	1.3
161.09634	3.7
168.21849	0.5
179.10648	6.6
197.11751	40.6
198.12149	1.6
209.11710	1.5
221.06532	1.4
223.09695	0.9
235.08147	1.6
241.10654	3.2
255.23253	55.1
256.23645	3.5
397.13580	4.1
877.47961	100.0
878.48328	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00201	0.8
69.03339	1.2
71.01194	0.7
71.20872	1.1
71.21214	0.8
78.95797	1.0
81.03325	1.5
83.01258	3.4
86.18834	0.6
89.03799	0.7
93.03319	0.8
95.01256	0.8
96.95859	0.9
97.02818	2.2
101.02320	0.8
109.02834	10.6
117.03372	1.5
119.04911	1.8
121.02835	1.8
123.00789	2.1
123.04414	5.3
124.01513	0.8
125.02336	100.0
126.02667	2.5
131.04935	0.7
133.02852	3.6
135.04446	3.1
137.02344	12.4
139.03918	0.8
145.02838	5.2
146.03592	0.7
147.04398	0.8
149.02356	3.2
150.03122	1.8
151.03908	6.8
158.57413	0.7
159.04448	4.5
161.02356	21.6
161.06004	2.6
162.03024	0.9
163.00308	2.3
163.03896	3.7
164.01091	2.2
165.01860	2.4
169.01340	27.8
169.02782	1.5
169.06425	1.1
170.01668	0.9
173.06006	0.7
175.03903	6.7
177.01851	6.3
177.05539	0.8
183.04466	1.8
185.05975	1.6
187.03908	4.0
188.04710	1.0
189.01762	0.8
191.03415	0.7
193.01253	0.7
197.06152	1.3
199.03969	1.9
200.04625	0.9
201.01973	0.8
201.05507	2.6
203.03476	1.6
203.07092	2.9
205.01402	0.7
205.05037	1.8
211.03940	1.7
212.04732	0.8
213.05499	2.0
215.03432	1.4
217.05008	1.7
219.03053	1.1
224.04645	1.0
225.05450	3.2
227.03474	2.3
227.07045	1.6
228.04037	0.7
229.04990	2.9
231.02937	2.2
237.05591	0.8
239.03387	0.6
241.04993	1.5
243.03001	3.3
243.06654	0.8
244.03668	0.7
245.04625	5.5
245.08287	3.5
253.05081	2.2
255.02991	3.9
256.03796	2.5
257.04587	3.0
267.02930	0.8
267.06628	0.7
268.03607	1.1
269.04565	20.9
270.05032	2.0
271.06091	6.4
273.04095	2.8
281.04675	3.6
283.02609	1.1
283.05975	0.9
285.04089	3.0
287.05612	13.5
289.07196	14.9
297.04007	1.4
297.07507	1.2
299.05719	3.4
303.05078	2.7
306.03577	0.6
309.03888	0.9
311.05701	1.3
313.03439	1.8
321.07697	0.8
329.06775	0.9
339.08749	1.6
363.08667	1.5
381.09866	1.0
389.06598	1.7
393.09763	0.6
395.07690	2.6
407.07700	41.0
408.07886	3.3
415.08215	1.4
419.07700	3.3
419.61636	0.7
425.08838	5.2
431.07816	2.2
433.09229	9.3
434.09235	1.2
435.10757	1.4
437.08746	1.5
438.75089	0.6
439.06229	0.9
449.08731	1.8
451.10336	5.1
515.13849	1.2
534.64386	0.8
541.11346	7.9
553.11505	2.1
559.12476	17.2
560.12964	1.5
571.12415	8.3
572.12512	0.9
577.13440	8.3
597.14313	2.8
705.16284	1.5
723.17279	13.5
724.17755	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	873.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47165	4.1
69.49899	6.9
69.50291	26.4
71.01261	8.4
74.39114	3.4
77.71306	3.3
78.95774	5.7
88.98657	6.6
91.40520	3.1
92.47189	3.8
96.95901	6.3
101.02306	8.5
113.02260	4.5
116.92750	13.7
171.10205	3.6
185.19246	3.8
197.11803	13.2
211.13313	8.0
235.08095	4.9
253.09248	14.1
291.19730	24.0
293.21133	6.7
297.56354	4.0
307.19196	3.9
309.20667	100.0
310.21094	8.5
401.02969	4.1
545.29803	13.6
837.49896	17.8
873.48083	24.5
874.47900	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	873.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47165	4.1
69.49899	6.9
69.50291	26.4
71.01261	8.4
74.39114	3.4
77.71306	3.3
78.95774	5.7
88.98657	6.6
91.40520	3.1
92.47189	3.8
96.95901	6.3
101.02306	8.5
113.02260	4.5
116.92750	13.7
171.10205	3.6
185.19246	3.8
197.11803	13.2
211.13313	8.0
235.08095	4.9
253.09248	14.1
291.19730	24.0
293.21133	6.7
297.56354	4.0
307.19196	3.9
309.20667	100.0
310.21094	8.5
401.02969	4.1
545.29803	13.6
837.49896	17.8
873.48083	24.5
874.47900	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	871.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87791	1.3
61.98692	1.9
65.47970	1.3
69.03313	2.3
71.00893	1.4
71.01253	18.9
72.99174	1.9
73.02801	3.3
78.95767	1.3
83.01240	3.1
85.02811	5.0
87.00735	4.2
89.02309	17.6
95.01250	1.4
95.04880	1.8
97.02799	2.5
97.06432	4.8
98.20611	2.1
98.74586	1.2
101.02306	10.5
113.02309	6.0
116.92728	3.8
119.03396	3.3
122.50594	1.4
125.02313	3.7
139.03816	1.5
143.03342	1.8
151.11177	13.9
161.04459	1.9
169.12250	45.5
170.12567	1.5
171.10158	2.1
195.10138	2.7
208.64659	1.4
209.11702	1.9
211.13310	5.1
212.13718	3.3
213.11192	7.5
221.06543	2.9
235.08228	1.7
277.21713	38.6
278.22000	4.9
294.38153	1.4
309.20584	1.8
397.13449	7.6
593.23596	2.0
823.56287	1.5
871.46973	100.0
872.47327	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	871.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98688	1.2
69.03320	4.9
71.01257	13.7
73.02821	3.7
75.00769	1.5
78.95798	2.0
80.02544	1.5
80.90017	1.2
82.95288	1.8
83.01254	3.9
83.04910	4.2
84.02048	2.0
84.95025	1.3
85.02820	10.9
86.95119	1.1
87.00757	4.9
89.02307	8.4
95.04918	2.6
96.95882	29.2
97.02835	3.2
97.06461	5.5
98.95480	2.4
99.00758	2.8
99.92439	7.7
100.92500	1.7
101.02319	10.6
104.57735	1.4
107.04890	1.4
109.06431	1.1
109.94331	1.1
113.02320	6.4
116.92743	85.0
116.97134	11.4
117.01826	4.5
117.92763	4.2
123.04440	2.0
123.08060	1.8
125.02313	3.6
125.09608	7.3
127.11218	1.4
136.34972	1.3
137.09616	3.0
145.04974	2.8
161.04437	3.4
163.11179	4.1
165.09081	1.3
165.12715	3.0
167.10716	1.4
169.12250	1.5
171.10179	34.1
172.10513	1.6
175.84468	1.3
179.10677	1.4
181.12233	2.2
183.13811	5.7
185.11827	7.4
191.14308	3.4
193.12273	1.5
197.11755	16.8
198.12170	1.2
199.13312	1.5
201.11295	1.3
207.10152	2.4
209.11765	51.5
210.12129	2.8
211.13304	19.8
221.11751	2.7
225.11304	3.3
227.12857	9.0
229.14424	12.5
235.08156	5.8
237.11305	1.7
239.12894	2.6
245.18990	8.4
247.20557	1.3
253.09235	25.5
263.19922	2.8
289.18082	34.4
290.18427	2.9
291.19620	12.0
293.21295	7.6
307.19171	31.2
308.19211	2.3
308.75934	1.1
309.20709	19.8
310.21112	1.6
325.20245	2.8
327.21747	100.0
328.22000	7.0
343.21243	1.8
357.45013	1.3
390.20200	1.5
393.83057	1.5
397.13568	4.1
404.23846	1.2
415.14734	1.4
704.41071	1.3
779.15613	1.3
871.50244	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	871.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	2.1
62.75061	1.8
69.03332	1.9
69.22765	20.9
71.01253	21.9
72.99178	6.3
73.02818	3.0
73.43327	2.1
78.95771	3.4
82.95289	7.1
83.04883	3.6
85.02837	5.5
87.00748	4.2
89.02312	13.0
96.95887	63.2
97.02812	3.4
98.95448	3.0
99.00685	2.2
101.02309	12.4
113.02319	7.8
116.92745	5.8
119.03381	5.9
123.04392	1.7
125.02321	6.8
142.21333	1.9
148.59169	1.9
155.10771	1.7
161.04446	4.0
163.11237	2.6
165.12668	1.9
171.10170	13.9
183.13882	9.3
193.12329	2.2
197.11751	7.3
199.09686	9.3
201.11224	3.2
207.10130	3.3
209.11768	25.0
211.13330	100.0
212.13680	4.4
225.11246	3.5
227.12819	6.4
229.14444	2.8
235.08177	7.6
247.20607	2.5
253.09293	9.1
291.19760	12.0
307.19260	3.2
309.20663	23.2
325.20255	5.3
327.21710	5.6
343.21149	13.6
379.12387	5.6
397.13443	28.4
397.58807	2.3
415.14465	6.5
591.26392	17.8
603.55518	2.5
609.27362	9.2
785.39691	4.6
791.37177	4.0
803.40765	8.4
817.39038	2.5
871.41132	33.6
872.41858	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	871.4614
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	34.4
65.00466	25.5
71.01257	50.0
77.44547	21.0
78.95757	34.6
80.96391	26.0
86.33342	22.3
89.02332	61.8
96.95885	28.4
116.92769	41.7
185.11848	32.0
197.11687	40.2
209.11761	99.2
211.13374	98.7
212.13605	33.0
213.11183	25.9
241.79118	27.3
277.21741	79.0
278.21912	32.7
281.24612	32.7
287.08307	25.1
291.19724	41.5
307.19165	63.2
309.20776	100.0
315.55780	26.9
351.20270	25.2
397.13263	62.0
776.80951	27.5
871.47504	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	871.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	34.4
78.95768	8.8
82.80609	7.1
83.01209	9.3
83.34850	8.9
84.44919	6.8
85.02803	11.6
87.00736	10.0
89.02319	24.9
96.95905	7.1
97.02847	9.4
98.20564	15.6
101.02319	23.3
112.33424	7.2
113.02338	18.1
114.25528	7.5
116.92738	21.8
123.04399	7.0
125.02336	15.4
144.40266	8.5
161.04527	7.2
169.12329	15.9
183.13815	12.3
185.11501	8.5
197.11827	16.7
203.60294	7.5
209.11766	16.4
211.13341	90.1
212.13666	36.8
213.13899	8.7
229.51701	13.9
253.09325	19.4
263.20065	9.9
277.18872	6.7
277.21552	42.8
278.21918	35.4
279.22589	10.4
289.17941	17.1
291.19696	10.7
293.21085	39.2
294.21506	7.4
305.17551	13.0
307.19186	25.0
309.20712	45.4
313.60013	7.6
379.12332	9.2
397.13458	26.3
398.13721	13.4
399.13950	12.5
817.47119	22.1
871.47339	100.0
872.47858	16.1
888.43121	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	869.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	0.4
67.01740	0.4
69.03329	1.8
71.00887	0.6
71.01248	6.4
72.99162	0.7
73.02817	1.6
78.95781	0.8
78.98784	0.3
79.95605	0.9
83.01263	0.7
83.04892	1.3
84.02044	2.4
85.02817	1.8
87.00740	1.0
89.02313	5.1
89.59171	0.3
95.01270	0.6
95.04894	0.5
96.95888	29.8
96.96770	1.6
97.02840	2.5
97.06464	8.0
98.19717	0.5
99.04389	1.2
99.92476	1.0
101.02323	5.6
107.64281	0.3
109.06467	0.8
111.08036	6.4
113.02334	2.9
116.92739	11.9
116.97131	1.4
117.01814	0.3
117.92800	0.5
119.03392	1.8
119.08555	0.4
121.06486	0.4
123.08044	0.6
124.88412	0.3
125.02312	1.7
125.05921	0.6
125.09592	2.1
127.07526	0.6
127.11206	0.6
128.03407	0.4
135.08044	0.5
137.09622	1.6
139.07576	0.4
139.11154	0.6
143.03391	0.6
145.04947	0.4
146.04494	0.6
149.13232	0.5
151.11195	1.4
153.09186	0.6
153.12755	0.8
161.04462	3.4
163.11238	0.8
165.12717	1.7
167.10748	0.5
169.01270	0.8
169.12242	3.1
171.10165	13.7
172.10478	0.8
175.11209	0.4
177.12794	0.5
179.05540	1.0
181.12227	1.1
183.13824	1.5
185.11778	1.2
193.12268	11.0
193.15927	0.4
194.12659	0.7
197.11761	32.0
198.12138	1.0
199.13219	1.6
201.11253	1.2
209.11778	1.9
211.13312	11.7
215.12970	0.4
221.11731	1.0
223.13373	0.5
225.14896	16.0
226.15186	0.7
227.12817	1.6
229.54916	0.5
235.08185	3.7
243.15965	6.8
244.16423	0.5
245.18869	0.4
247.20700	0.9
253.09254	31.8
253.14473	1.2
254.09572	1.3
263.20197	1.9
265.18008	0.7
273.18582	1.6
277.21695	1.0
289.07224	0.4
289.18066	1.0
291.19656	19.7
292.20023	1.2
293.21292	0.4
305.21155	1.1
307.19193	0.6
309.20694	69.4
310.21033	4.3
322.59964	0.4
323.22223	1.2
325.20242	1.2
341.23297	100.0
342.23633	7.3
397.13492	0.8
424.21954	0.4
433.20642	0.6
527.29590	0.4
545.29480	2.4
577.32178	4.4
633.43573	6.2
634.43988	1.1
869.50165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.489
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98687	0.7
66.14058	0.6
69.03323	2.8
71.01248	8.2
71.56458	0.6
73.02807	2.3
78.95780	3.8
79.95631	3.4
81.03324	0.9
82.95298	2.2
83.01244	1.2
83.04881	1.9
84.02038	1.3
85.02812	3.7
87.00757	1.3
87.76205	0.6
89.02311	5.7
95.01250	0.9
95.04902	2.2
96.95889	100.0
96.96881	3.6
97.02841	5.0
97.06466	5.9
97.95819	0.7
98.03613	0.6
99.00756	0.7
99.92458	1.3
101.02325	7.1
102.05487	0.7
107.04904	0.7
109.06486	1.4
111.08052	5.2
112.98526	0.5
113.02321	4.0
116.92739	10.2
116.97101	0.9
119.03394	1.0
121.10155	0.6
123.04411	0.8
123.08057	1.2
125.02317	3.2
125.05972	2.4
125.09598	3.5
127.07494	0.7
127.11188	1.9
137.09592	1.6
139.07559	4.0
141.09167	0.5
145.04985	0.7
146.04489	1.5
151.03915	1.0
151.11237	1.1
151.48276	0.5
153.09146	1.1
153.12781	0.8
155.10692	1.1
158.02600	0.5
161.04547	2.7
161.05653	0.7
163.11174	1.7
165.09171	0.9
165.12778	3.1
169.01299	0.6
169.08582	2.8
169.12244	2.1
171.10170	22.2
172.10449	0.7
172.95087	0.5
179.05531	0.7
180.23991	0.6
181.12311	1.1
183.10172	0.6
183.13811	1.1
185.11760	2.4
191.10727	0.9
191.14261	0.6
193.12259	6.7
197.11775	19.9
197.13535	1.2
198.12062	0.9
199.13339	1.6
201.11261	35.5
201.65733	0.7
202.11714	1.0
204.64117	0.6
207.10175	1.7
209.11778	10.2
211.13339	8.6
221.11792	1.1
223.13303	1.6
225.11288	2.1
225.14922	7.2
227.12849	3.7
229.14153	0.7
235.08195	4.1
243.15948	3.8
245.19193	0.7
247.20647	1.6
253.09253	27.0
263.20129	1.5
273.18649	1.5
277.21591	0.9
279.19666	1.2
287.16476	1.1
289.18045	1.6
291.19669	27.9
292.19949	1.6
293.21057	0.9
305.17578	8.1
307.19016	1.9
309.20709	58.6
310.21060	3.6
323.18668	2.4
323.22177	0.9
325.20300	1.9
327.21841	2.3
341.23309	48.2
342.23743	2.5
397.13541	0.9
430.31430	0.6
437.20456	1.8
465.53387	0.7
493.32117	0.8
541.26825	1.9
545.29803	2.2
577.31879	1.6
633.43811	2.8
782.42963	0.6
789.18134	0.7
833.47034	2.0
869.48322	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55103	0.4
69.03312	2.4
69.28809	0.4
71.00890	0.6
71.01254	7.4
71.04871	0.4
72.99150	0.9
73.02796	1.2
78.95744	1.2
79.95583	0.7
80.02542	0.4
81.03314	0.6
82.95264	1.5
83.01228	1.2
83.04887	1.7
84.02032	2.6
85.02825	2.5
87.00719	1.2
89.02306	5.3
95.01235	0.8
95.04874	1.0
96.95885	22.8
96.96851	1.0
97.02812	3.4
97.05872	0.6
97.06462	9.0
98.95476	0.5
99.00779	0.5
99.04369	0.9
101.02320	5.4
109.06446	0.7
111.08037	3.4
113.02344	3.5
113.22225	0.3
115.73350	0.3
116.92762	1.9
118.63235	0.3
119.03364	1.2
121.10078	0.5
123.04375	0.7
123.08043	0.7
125.02326	2.0
125.05899	0.4
125.09598	2.3
127.07555	0.5
127.11172	0.8
135.08063	0.5
137.09622	1.9
139.07492	0.9
139.11217	0.5
143.03328	0.8
145.05048	0.4
145.06093	0.5
146.04469	0.4
148.28130	0.3
149.13199	0.4
151.11188	0.9
153.09105	0.5
153.12738	0.7
155.10609	0.8
161.04454	3.0
161.09558	0.4
163.11154	1.8
165.09050	0.3
165.12733	3.1
167.10722	0.5
167.14265	0.5
169.01324	0.5
169.08598	0.4
169.12265	2.0
171.10168	14.6
175.11189	1.0
177.12735	0.6
178.44626	0.3
179.05490	1.2
179.14339	0.6
181.12250	1.2
183.13805	1.2
185.11740	1.1
186.00482	0.3
191.14404	0.3
193.12256	12.0
193.15965	0.6
194.12485	0.4
195.13882	0.6
197.11752	20.1
198.12068	1.0
199.13275	1.4
201.11247	3.1
207.10146	0.7
209.11765	2.9
211.13327	9.4
212.13655	0.5
221.11777	1.2
223.13127	0.6
225.11343	0.7
225.14890	16.8
226.15213	1.0
227.12854	2.9
229.14456	0.4
235.08205	3.3
243.15936	6.6
244.16423	0.5
247.20680	1.6
253.09251	27.2
253.14465	1.3
254.09561	1.2
263.20148	1.0
265.17944	0.6
273.18552	1.4
277.21707	0.7
289.18091	0.7
291.19635	26.9
292.19928	2.0
293.21118	0.7
305.17465	1.1
305.21204	0.9
307.19095	0.6
309.20679	62.3
310.21063	4.1
323.18478	0.9
323.22321	1.0
325.20193	0.7
327.21786	2.3
333.81897	0.3
341.23282	100.0
342.23630	7.5
357.22821	0.9
370.16721	0.4
397.13647	0.9
545.29584	2.0
577.32220	3.3
578.32684	0.5
633.43677	5.4
634.44049	0.6
731.32019	0.4
869.48907	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	0.2
69.03330	1.4
71.01249	15.8
71.04603	0.6
72.99178	1.0
73.02813	2.9
75.00736	0.4
79.95623	0.3
80.96387	0.3
81.03337	0.8
83.01253	2.1
85.02821	4.1
85.99933	0.3
87.00740	4.7
87.04380	0.3
89.02312	15.8
91.03886	0.3
95.01257	1.4
97.02826	2.4
99.00750	0.9
101.02316	11.4
103.03883	0.3
109.02858	0.3
111.04393	0.6
113.02325	7.0
119.03379	3.6
125.02328	6.3
131.03392	0.5
133.04982	0.6
139.03922	0.6
143.03377	2.3
148.35634	0.3
149.04477	0.3
155.10725	0.3
158.48285	0.2
161.04425	3.5
167.03384	0.6
167.10657	0.2
167.14270	0.6
169.04877	0.3
179.05533	4.7
181.05003	0.4
183.13815	6.1
193.12285	1.5
199.05995	0.7
203.05486	0.3
211.13326	100.0
212.13658	4.4
217.07166	0.8
221.06615	1.5
235.08195	5.4
245.06621	0.5
253.09229	1.0
253.14417	0.3
259.08237	0.6
263.07782	0.4
277.21701	57.5
278.22043	3.0
287.07642	1.9
291.23129	0.7
305.08722	1.8
307.18942	0.3
323.09714	1.3
370.23459	0.3
379.12427	8.7
380.12952	0.8
397.13467	42.3
398.13943	2.2
403.05130	0.3
415.14520	8.8
416.14807	0.5
565.30554	0.3
591.26544	3.0
592.27087	0.5
609.27588	2.5
627.54022	0.3
657.34918	0.4
675.35870	1.5
676.35913	0.4
869.46460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99699	0.2
69.03309	1.4
71.01249	15.7
72.99177	1.5
73.02818	2.3
75.00750	0.3
76.86694	0.2
80.96400	0.3
81.03321	0.8
83.01262	1.6
83.04895	0.5
85.02814	3.9
85.99934	0.2
87.00741	3.8
89.02311	13.5
91.03922	0.3
95.01264	1.1
97.02815	2.1
99.00759	0.9
101.02316	11.3
109.02827	0.3
111.00780	0.2
111.04379	0.4
113.02321	6.7
115.03876	0.3
119.03373	3.3
121.02821	0.2
123.00758	0.2
123.04400	0.2
125.02326	5.4
125.03240	0.3
127.03905	0.3
129.50424	0.2
131.03377	0.6
133.04947	0.4
139.03912	0.5
141.01819	0.4
143.03387	2.5
149.04446	0.6
155.10683	0.2
157.04915	0.2
161.04456	3.4
165.12677	0.3
167.03403	0.4
167.10587	0.3
167.14325	0.7
179.05524	3.8
183.13806	6.7
184.14085	0.4
185.04463	0.3
193.12230	1.8
198.35905	0.2
199.05988	0.5
203.05467	0.3
211.13321	100.0
212.13660	3.8
217.07100	0.9
219.05087	0.2
221.06555	1.3
225.14888	0.2
233.22696	0.4
235.05835	0.3
235.08171	5.2
236.08505	0.2
245.06552	0.4
253.09290	0.7
253.14432	0.6
259.08200	0.4
259.20377	0.2
263.07687	0.4
269.06635	0.3
277.21692	46.7
278.22021	2.8
287.07724	1.6
291.23135	0.3
292.00760	0.2
301.09158	0.2
305.08710	1.8
319.22842	0.3
323.09775	1.1
327.21725	0.2
341.10727	0.3
361.11420	0.2
379.12421	7.7
380.12881	0.4
397.13464	35.6
398.13943	1.7
415.14566	8.0
416.14737	0.4
429.21622	0.2
499.21835	0.3
591.26550	3.2
592.27106	0.3
609.27521	3.7
610.27661	0.4
644.23517	0.2
657.35150	0.3
675.35944	0.6
869.48163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98700	8.4
68.29411	0.3
69.03323	1.7
69.86308	1.8
71.01252	18.2
72.99173	1.8
73.02821	2.9
75.00749	0.5
79.95603	0.7
80.96381	0.3
81.03322	0.7
83.01260	2.2
85.02818	3.7
85.99973	0.5
86.89445	0.3
87.00742	5.2
89.02314	15.4
95.01263	1.6
96.95891	0.5
97.02825	2.8
99.00748	1.1
101.02313	13.8
111.00799	0.3
111.04420	0.5
113.02328	7.7
115.03876	0.3
119.03381	4.7
123.06945	0.3
125.02336	7.3
131.03404	0.6
133.04968	0.5
139.03932	0.4
141.01820	0.5
143.03384	2.6
145.04900	0.5
149.04434	0.6
161.04454	3.2
167.03447	0.7
167.10765	0.5
167.14314	0.5
173.45634	0.3
179.05487	4.0
183.13820	6.4
193.12285	2.0
199.06001	0.5
200.42552	0.3
202.85632	0.3
211.13327	100.0
212.13727	4.5
217.07045	0.8
219.05099	0.4
221.06590	1.1
235.08195	5.4
253.09265	1.1
259.08319	0.6
263.07761	0.5
277.21704	56.4
278.22034	3.5
287.07745	2.3
291.23090	0.3
301.09317	0.4
305.08746	2.2
319.22574	0.3
323.09894	1.4
379.02286	0.3
379.12427	9.2
380.12921	0.6
397.13474	43.6
398.13971	1.9
415.14520	8.6
416.14868	0.5
591.26508	2.8
592.27063	0.4
609.27924	1.8
657.34772	0.7
658.20044	0.3
675.36127	1.1
831.25159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	7.3
67.01636	2.9
70.74076	9.7
71.01264	19.6
71.73445	3.0
78.95780	5.5
79.95620	4.1
80.96390	8.2
83.01263	4.2
85.02837	4.5
87.00768	4.5
89.02328	15.0
96.95892	6.2
101.02340	15.8
113.02313	8.7
113.23880	3.3
116.92802	3.0
119.03395	6.5
125.02361	8.5
143.03351	4.3
145.05029	4.7
161.04507	3.3
171.10278	3.7
179.05527	5.2
183.13806	5.5
203.19016	2.9
209.11821	22.1
211.13321	100.0
216.27388	3.3
225.00772	4.6
235.08214	7.2
255.23349	3.8
277.21695	47.7
279.23242	12.3
289.18182	8.4
291.19458	4.2
307.19156	7.0
309.78012	3.8
374.32404	3.3
379.12418	11.6
397.13489	41.3
415.14447	11.7
666.65576	3.5
869.46295	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	869.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	5.4
69.03339	5.8
71.01248	27.5
72.01622	4.3
73.02821	5.1
78.95788	7.4
81.03294	4.7
85.02808	6.6
86.88303	4.5
87.00694	5.3
89.02306	20.6
96.95872	27.3
97.02816	5.7
98.20525	15.2
99.71583	4.2
101.02345	20.0
103.79433	3.7
105.41010	4.2
113.02293	9.7
116.92727	27.9
117.92764	5.3
118.92612	5.5
119.03389	7.6
125.02370	10.2
148.69820	3.8
163.11244	5.5
171.10178	10.0
209.11720	42.9
210.12218	19.4
211.13371	100.0
221.06743	4.9
235.08215	7.1
253.09225	11.7
277.21695	65.0
278.22067	15.3
289.18143	56.1
291.19601	8.0
298.70602	3.9
305.17380	5.1
307.19128	28.6
309.20840	8.8
343.24744	7.0
379.12363	11.1
397.13513	45.4
398.13657	6.4
415.14713	9.8
424.36823	4.6
525.27020	7.3
689.52216	4.4
869.46710	15.7
870.46124	7.8
896.49310	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	869.49
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	0.3
68.99686	0.2
69.03316	1.6
71.01250	17.5
72.99184	1.6
73.02811	3.4
75.00758	0.4
79.95602	0.6
80.96381	0.9
81.03323	0.9
83.01252	2.3
83.04884	0.6
85.02818	4.5
87.00748	4.0
87.04385	0.2
89.02312	16.4
90.02685	0.2
91.03867	0.3
93.03349	0.2
95.01261	1.5
96.95889	0.2
97.02816	2.8
99.00757	1.2
99.04382	0.3
101.02317	14.0
102.02676	0.3
103.03848	0.2
109.02818	0.6
111.00776	0.4
111.04389	0.5
111.96355	0.2
113.02325	8.2
115.03848	0.4
119.03384	4.3
121.02821	0.2
123.00735	0.2
124.01497	0.3
125.02331	6.7
126.02659	0.3
127.03873	0.3
130.80406	0.2
131.03426	0.9
133.04932	0.6
137.02344	0.2
139.03896	0.6
141.01811	0.3
143.03389	2.4
145.04898	0.3
146.40877	0.2
147.53732	0.2
149.04425	0.4
154.65648	0.2
155.10629	0.2
159.02823	0.3
161.04462	3.4
165.12794	0.3
167.03397	0.5
167.10736	0.3
167.14296	0.7
169.05043	0.3
179.05521	4.1
183.13818	7.5
193.12280	2.2
194.98682	0.2
199.06056	0.4
201.04019	0.2
211.13319	100.0
212.13655	4.0
217.07118	1.1
221.06575	1.6
225.00673	0.3
235.08160	4.9
235.10402	0.4
236.08507	0.2
245.06506	0.3
253.09332	0.9
253.14493	0.3
259.08212	0.6
259.20731	0.3
263.07681	0.6
277.21695	58.7
278.22046	3.7
287.07690	1.7
289.04947	0.2
291.23264	0.6
305.08713	2.1
319.22766	0.6
323.09760	1.2
361.11243	0.3
379.12405	8.6
380.12952	0.4
397.13458	39.4
398.13895	1.9
415.14532	8.5
476.67749	0.2
591.26556	3.0
609.27679	2.4
610.27386	0.3
657.35022	0.4
675.36212	1.1
869.47162	1.3
882.46320	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.03894	1.9
61.98697	4.4
71.01242	9.5
78.98459	6.2
79.95605	14.9
80.96385	61.5
85.02835	2.7
87.00729	3.1
89.02303	2.5
94.97964	12.6
96.95859	3.1
97.02823	5.0
98.20547	7.1
101.02313	4.3
106.97936	3.6
122.97469	4.6
125.02355	4.5
134.97441	5.4
138.51776	2.3
148.99023	5.3
152.98526	3.5
164.98561	11.7
171.10066	3.0
211.13121	2.6
225.00655	22.6
235.08151	9.1
253.09270	13.7
277.21695	100.0
278.22061	6.6
291.19626	29.2
309.20654	56.8
310.20956	2.6
717.52405	2.8
795.22748	2.6
809.70862	2.5
865.49738	91.9
866.50226	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	867.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70415	0.3
69.03315	0.5
70.72546	0.9
71.01248	9.2
72.99168	1.3
73.02816	1.0
75.00730	0.9
80.02538	1.4
81.03326	1.8
83.01247	0.9
83.04889	5.5
84.02029	1.1
85.02824	1.8
87.00755	2.4
89.02312	8.2
95.01257	0.6
95.04920	0.9
96.95890	1.6
97.02814	1.3
99.00726	1.0
101.02322	6.7
109.06462	0.5
111.04430	0.3
113.02332	3.0
114.47079	0.3
119.03386	2.3
119.04930	0.4
122.84870	0.3
125.02334	3.3
125.05901	0.4
125.09647	0.3
129.01794	1.1
131.03386	0.6
135.02858	1.2
135.08066	0.5
139.03976	0.3
143.03371	1.0
145.02866	0.4
150.03099	0.3
152.76601	0.3
161.04440	1.8
163.11180	5.2
165.12755	2.3
169.01402	0.4
171.10226	0.7
175.02365	0.4
179.05510	2.3
181.12329	0.7
183.13869	0.6
191.10683	1.1
194.59070	0.3
197.11729	0.3
199.13206	0.6
207.10181	0.5
209.11755	100.0
210.12094	5.2
211.13142	0.3
221.06607	0.8
225.11266	0.7
227.12825	15.3
228.13037	0.6
235.08179	1.9
251.12706	0.6
287.07657	1.0
305.08795	1.0
323.09796	0.8
379.12366	3.0
382.61710	0.3
397.13461	20.9
398.13715	1.1
415.14496	5.1
437.25635	0.4
508.14539	0.4
562.62048	0.3
589.25049	0.6
607.26367	1.7
817.38483	0.6
835.38129	0.4
849.37262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	3.9
69.03324	1.6
69.53568	5.8
70.11462	0.8
71.01250	21.1
72.99180	2.8
73.02802	3.1
75.00743	1.1
78.95766	1.0
80.02536	2.4
81.03325	2.3
83.01263	3.0
83.04883	8.8
84.02050	1.3
85.02811	5.6
87.00719	4.1
89.02312	18.1
95.01253	1.1
95.04951	1.2
96.95898	2.0
97.02808	2.8
97.06456	1.1
99.00741	2.1
101.02316	17.1
104.18479	0.7
109.06522	1.0
113.02321	7.4
119.03362	3.1
121.02828	1.3
125.02366	5.2
129.01709	1.2
135.02838	1.0
135.07999	0.7
143.03403	1.2
161.04446	2.0
163.11209	7.4
165.12759	13.2
171.10152	0.9
175.02310	1.0
179.05502	2.2
183.13821	54.1
184.14136	3.2
185.04491	1.0
191.10718	1.5
192.64635	0.8
199.13295	0.9
207.10275	1.3
209.11757	96.3
210.12070	4.0
211.13318	4.6
221.06587	3.2
225.11270	1.6
227.12798	11.9
235.08194	2.9
253.09286	0.9
397.13586	7.3
415.14624	2.3
607.25562	1.9
625.27051	1.5
817.38068	1.7
835.39606	100.0
836.39813	18.6
867.42505	12.2
868.42310	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	867.4958
Annotation	Unknow
Peak:m/z	Relative Intensity
61.25019	1.0
61.98688	1.3
69.03329	1.5
71.01247	19.3
71.11829	2.1
72.99183	1.3
73.02828	3.0
79.95620	1.1
80.96394	4.1
83.01264	2.1
85.02824	4.4
87.00753	4.9
89.02312	15.9
95.01305	1.2
96.40626	1.3
97.02835	3.0
99.00770	1.5
101.02323	16.2
105.06482	1.0
113.02338	7.8
114.33308	1.0
119.03407	3.0
125.02356	7.0
127.11111	1.8
143.03409	3.3
161.04489	5.0
171.10165	100.0
172.10530	2.9
179.05484	4.1
221.06583	1.6
225.00722	1.3
235.08179	5.3
255.23264	71.3
256.23615	4.8
287.07611	2.7
305.08606	3.0
379.12421	18.2
397.13464	43.3
398.13892	2.8
412.62244	1.2
415.14597	7.9
416.15292	1.4
425.85504	1.3
551.23291	4.0
569.24457	2.6
635.36584	2.3
653.37567	4.6
867.49963	7.0
868.49402	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	865.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90596	0.7
67.01797	0.9
68.12158	0.8
69.03352	0.9
69.52454	3.2
69.52890	3.7
72.99186	4.0
73.48657	0.8
75.21733	0.8
78.95769	5.5
81.03297	1.5
83.01254	5.4
93.03335	2.8
95.04910	1.2
97.02837	2.5
103.00231	0.9
107.04910	3.0
109.02836	19.4
109.03585	1.1
115.37312	0.7
117.03397	0.8
121.02834	3.8
122.03671	2.0
123.04418	12.4
124.04726	0.9
125.02335	100.0
126.02683	3.2
131.04935	2.0
133.02856	7.5
135.04404	2.9
137.02350	28.4
139.03896	2.6
145.02884	0.9
146.03696	1.1
147.04404	1.8
149.02342	5.3
149.05971	1.5
150.03168	1.5
151.03903	12.3
153.82062	0.8
159.04414	3.5
160.01669	0.9
160.05202	1.1
161.02345	36.6
161.05954	4.1
162.03058	2.6
163.00259	2.3
163.03896	5.2
164.01076	4.7
165.01831	5.2
165.05481	8.3
167.03471	0.8
169.01291	1.0
173.05972	1.9
175.03929	10.9
176.01094	1.4
177.00293	1.1
177.01814	12.0
177.05478	2.2
179.03415	6.5
185.06058	0.8
187.03973	7.3
188.04695	2.6
189.01807	1.4
191.03490	1.8
193.05013	2.5
199.03935	2.1
201.05524	2.2
202.06276	1.0
203.03423	3.4
203.07063	6.4
205.01326	2.2
205.05074	6.4
207.66605	0.8
211.04079	1.8
213.05611	2.5
215.03314	1.4
217.05000	2.1
219.02927	1.3
219.06506	1.6
227.03378	3.0
227.07085	1.6
228.04170	1.1
229.04982	5.4
230.05603	1.4
231.02986	1.2
241.01280	0.9
241.04924	1.0
243.02966	6.0
245.04488	7.1
245.08180	8.9
246.04845	1.3
247.05945	1.3
253.04947	1.5
255.02910	13.6
255.05127	12.5
256.03665	5.5
257.04419	2.6
269.04544	3.2
273.04044	5.0
277.10989	0.8
280.03476	1.0
281.04532	5.6
283.02673	3.7
285.04016	4.7
287.05643	11.9
288.02740	1.0
289.07193	33.4
290.07693	1.4
297.04068	2.0
299.05640	11.9
329.06870	1.3
339.08762	3.2
347.05466	1.0
367.10303	4.6
381.09760	3.0
391.04221	1.3
405.06317	1.0
407.07703	55.1
408.08063	4.0
417.06250	1.6
425.08786	20.1
426.09189	1.6
435.07141	3.7
449.08728	1.7
451.10345	16.8
452.10510	1.0
457.09409	2.3
461.08591	3.2
499.10446	2.5
525.08032	6.6
527.61505	0.8
543.09204	11.7
544.09985	1.2
559.12427	2.2
561.10120	5.3
562.11218	1.1
569.10852	9.7
577.13635	11.6
578.14032	2.3
587.12000	9.2
588.12628	1.2
613.13678	2.4
619.84271	1.0
695.14185	9.2
696.14459	1.5
713.15198	2.3
739.16772	2.0
865.20605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	50.3
71.36168	12.0
78.95764	15.1
81.88766	8.5
83.04895	9.5
85.02812	12.9
87.00721	12.5
89.02322	30.7
94.48125	7.7
95.01211	7.6
96.95856	14.6
101.02337	29.5
109.06491	9.2
113.02329	27.5
125.02319	15.5
141.01613	44.4
152.07132	9.2
171.10161	100.0
173.11484	9.7
179.05498	14.2
179.76537	8.7
208.23593	10.0
209.11787	82.1
210.12088	50.8
211.12260	9.4
228.13336	11.2
235.08218	11.2
253.09325	14.2
255.23184	43.2
256.23599	23.4
277.21762	77.8
303.47247	8.1
309.20596	15.1
379.12436	19.6
397.13455	90.5
398.13849	27.5
399.14124	13.8
415.14566	11.3
534.10016	9.1
545.32227	10.1
688.22205	9.7
865.43994	55.2
866.44830	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	865.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00220	0.5
71.36963	0.9
81.03349	1.2
83.01234	2.9
89.03844	0.6
93.03342	1.5
93.20203	0.5
95.01249	0.6
95.04887	0.9
97.02832	2.1
107.04899	1.8
108.02071	0.6
109.02830	11.0
117.03313	0.8
121.02825	2.0
121.56629	0.5
122.03610	0.6
123.04401	7.2
125.02329	100.0
126.02648	2.7
126.73322	0.5
131.04913	1.2
133.02861	4.4
135.04404	1.8
137.02327	13.0
139.03902	1.4
145.02870	0.7
147.04398	0.8
149.02318	3.1
151.03912	11.8
159.04408	1.8
161.02335	31.6
161.05969	2.2
162.03076	2.7
163.00198	2.5
163.03885	3.6
164.01035	5.4
165.01848	5.2
167.03413	1.3
173.02315	0.6
173.05978	1.4
174.03215	0.6
175.03917	14.1
175.07449	0.7
176.00977	0.9
176.04257	0.7
177.01834	10.4
177.05438	1.1
179.03424	2.2
185.05968	1.0
187.03906	4.2
188.04695	1.9
189.01862	1.6
189.05548	0.7
190.02721	0.8
191.03360	0.9
193.05042	1.0
199.03931	3.2
201.01962	1.2
201.05528	2.2
203.03500	2.5
203.07091	4.4
205.01361	1.6
205.05037	4.5
211.03841	0.6
213.05402	0.9
214.02628	0.7
215.03479	1.3
217.01399	1.1
217.04999	6.5
219.02928	3.8
219.06555	1.0
225.05460	1.6
227.03444	1.7
227.07162	0.8
228.04236	1.1
229.04919	2.8
229.08678	0.6
231.02913	1.3
240.04047	0.7
241.05049	0.9
243.02950	15.6
243.06549	1.6
244.03363	1.4
245.04501	10.6
245.08194	6.4
246.05038	0.7
247.05894	0.8
253.04977	0.8
255.00484	0.9
255.02954	7.1
256.03659	2.5
257.04541	1.3
261.04031	4.9
269.04398	3.3
273.04062	1.9
281.04501	2.7
282.01816	1.2
283.02463	2.1
285.04105	2.8
285.07462	0.6
287.02350	1.0
287.05579	21.4
288.05893	1.3
289.07147	17.4
290.07538	1.1
299.05618	3.4
315.08740	1.4
327.05313	0.7
329.06595	1.0
339.08676	2.7
341.06583	1.6
362.45114	0.6
363.05136	0.7
381.09891	0.9
383.07474	0.7
391.04626	1.2
395.07626	0.8
405.06119	4.3
407.07660	18.1
408.07932	2.1
408.95801	0.6
413.08820	4.4
423.07190	2.7
425.08746	7.9
435.07550	0.7
449.08606	4.9
451.10287	6.2
525.08246	1.2
533.10327	0.7
543.09351	2.9
559.12457	1.3
561.10254	1.1
569.11230	0.9
575.11804	3.5
576.11981	0.6
577.13660	8.3
578.13818	1.2
587.11444	2.6
695.14490	4.1
713.15540	1.6
739.16321	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
61.14752	0.6
61.98696	2.0
68.99666	0.6
69.03333	1.5
71.01252	22.9
71.04639	1.2
71.04975	1.1
72.99158	1.5
73.02801	3.7
75.80775	0.7
80.96394	0.8
81.03304	1.0
83.01243	2.4
83.04858	0.9
85.02807	5.6
85.47047	0.6
87.00756	2.6
89.02317	17.0
95.01254	1.8
97.02817	3.3
97.06439	0.9
99.00721	2.3
101.02321	13.8
111.08042	1.6
113.02330	8.7
119.03399	4.7
125.02321	4.4
131.03366	1.0
139.03905	0.8
143.03410	1.5
149.18242	0.7
161.04424	1.9
165.12767	7.0
179.05489	2.2
183.13824	54.3
184.14146	2.3
199.13271	1.0
209.11807	3.1
221.06589	1.5
227.12822	3.4
235.08157	3.1
255.23257	72.8
255.89978	0.7
256.23691	4.2
277.21582	0.8
293.21262	1.3
379.12454	1.5
397.13513	12.7
398.13690	1.1
415.14551	2.6
607.26196	1.5
684.18298	0.8
863.50024	100.0
864.50476	22.4
898.42389	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01241	3.5
80.96378	3.0
85.02788	2.2
87.00730	2.1
89.02316	3.3
98.20601	2.5
101.02317	6.0
109.06435	2.9
111.04410	1.6
113.02283	1.8
129.11362	1.6
135.04463	2.0
161.02422	1.4
199.13341	2.3
209.46004	1.3
227.12875	2.1
235.08121	6.7
245.19064	3.2
253.09171	9.2
255.23254	4.7
277.21698	100.0
278.22025	7.7
282.19559	1.5
289.18094	57.5
290.18332	4.3
307.19092	5.7
397.13507	1.9
482.89673	1.6
600.80524	1.5
819.52985	2.3
863.48376	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.198
Annotation	Unknow
Peak:m/z	Relative Intensity
63.69196	1.0
65.52480	1.0
67.01781	1.2
71.11923	1.8
71.12268	1.4
83.01265	4.5
83.59619	1.1
93.03295	1.5
95.04867	1.2
97.02835	2.2
107.04877	1.7
109.02834	11.2
121.02842	2.5
123.04391	8.9
125.02331	100.0
126.02692	1.9
133.02849	5.0
135.04346	1.2
135.62213	0.9
137.02338	15.4
139.03925	1.6
149.02400	2.9
151.03925	11.3
159.04442	2.0
161.02342	31.7
161.06032	1.6
162.03030	2.2
163.00244	1.6
163.03899	3.7
164.01051	6.3
165.01814	6.6
167.03406	1.4
175.03908	16.9
177.01845	8.8
177.05453	1.3
179.03415	2.6
187.03952	4.2
188.04625	1.8
189.01868	2.3
199.03954	3.8
201.05493	1.2
202.21881	1.2
203.03384	2.2
203.07153	4.9
205.01463	1.8
205.05031	3.4
211.03728	1.2
215.03334	1.8
217.05016	7.7
219.02953	3.8
227.03528	1.9
227.80632	1.0
229.04962	4.4
231.02971	1.7
242.02017	1.5
243.02948	18.3
244.03549	1.2
245.04504	9.3
245.08217	4.5
247.06223	1.1
255.02943	6.1
256.03723	1.4
261.04031	6.2
267.02725	1.2
269.04495	3.0
273.03973	2.1
281.04605	2.9
285.03915	1.4
287.05600	30.5
289.07184	22.3
290.07480	1.3
299.05573	3.7
311.61694	1.5
329.06497	1.2
338.02969	1.3
339.08817	1.8
341.06702	2.6
405.06021	5.7
407.07684	22.6
408.08185	2.2
413.08908	5.9
423.07056	4.1
425.08810	10.9
427.75183	1.1
449.08804	6.4
450.08548	1.2
451.10324	7.8
533.10956	1.8
543.09381	4.0
559.13025	1.9
561.10498	2.1
569.10767	2.6
575.11884	4.7
577.13562	10.5
587.11688	3.0
657.91827	1.3
695.14130	4.7
713.15363	2.6
865.19458	1.6
895.25653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01578	0.4
69.03341	0.8
69.37811	1.0
69.38238	1.7
71.01250	16.4
72.99179	1.4
73.02814	2.7
75.00764	0.6
76.75588	0.3
80.02542	1.2
81.03325	1.9
83.01247	2.1
83.04893	4.7
84.02041	0.8
85.02832	3.5
87.00749	4.5
89.02314	14.4
91.03900	0.4
93.03316	0.5
95.01241	1.0
95.04898	0.7
97.02814	2.7
99.00761	0.7
101.02322	11.5
111.04402	0.6
113.02325	7.6
113.03061	0.6
119.03378	3.7
121.50957	0.3
125.02326	6.1
125.05981	0.5
133.04956	0.4
135.08047	0.8
139.03850	0.5
143.03375	2.5
144.71039	0.3
149.04492	0.5
152.81767	0.3
161.04443	3.2
163.11192	4.1
165.12714	2.0
179.05530	3.6
181.12273	0.5
191.10797	0.4
199.06047	0.3
209.11757	100.0
210.12097	6.2
217.07092	1.3
221.06685	1.6
221.08554	0.3
227.12831	12.3
228.13138	0.7
235.08214	5.6
251.13000	0.4
255.23257	51.3
256.23611	3.4
259.08136	0.5
269.06592	0.4
269.24814	0.5
287.07675	1.9
305.08939	2.1
323.09766	0.8
361.11780	0.4
379.12415	7.5
380.12668	0.9
397.13477	40.1
398.13840	2.8
415.14526	8.5
416.14624	0.7
500.74838	0.3
589.25159	0.5
607.25854	0.7
653.37427	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	863.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26641	0.2
65.86048	0.2
69.03318	0.8
70.13392	0.7
70.90368	0.2
71.01250	14.8
72.01624	0.2
72.99181	1.3
73.02818	2.6
75.00747	0.5
80.02536	1.0
81.03322	1.8
83.01249	2.2
83.04887	4.4
84.02045	0.4
85.02821	3.3
87.00747	3.9
89.02313	14.1
91.03899	0.3
93.03326	0.3
95.01260	1.0
95.04900	0.6
97.02822	2.7
99.00759	1.0
101.02319	12.2
102.02704	0.3
108.82174	0.2
109.02863	0.5
111.00735	0.3
111.04347	0.4
112.93156	0.2
113.02328	7.5
114.02605	0.3
119.03389	4.2
121.02831	0.5
123.00764	0.3
125.02332	5.9
125.05901	0.2
131.03374	0.8
133.04967	0.3
135.08105	0.5
137.92752	0.2
139.03876	0.5
141.01805	0.6
143.03410	2.7
149.04507	0.4
161.04463	3.4
162.30190	0.3
163.11194	3.3
165.12779	1.9
169.04979	0.3
179.05533	3.8
181.12212	0.8
191.10686	0.9
199.06107	0.3
199.13322	0.4
209.11758	100.0
210.12086	5.4
217.07138	0.9
219.05046	0.3
221.06563	1.1
227.12823	12.9
228.13188	0.8
235.08197	5.7
236.08487	0.4
245.06638	0.3
251.12904	0.3
253.09233	0.8
255.23253	54.3
256.23584	4.5
259.08237	0.5
263.07660	0.5
269.24951	1.1
287.07785	1.6
297.24405	0.3
305.08820	1.6
323.09775	1.4
360.56009	0.2
379.12408	7.4
380.12827	0.6
397.13464	39.0
398.13690	2.9
415.14566	8.3
416.14697	0.8
589.24860	0.4
607.26746	0.4
635.35913	0.4
653.37726	1.2
712.61731	0.2
823.18353	0.3
838.98993	0.3
863.48401	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
61.29191	0.2
61.98700	1.5
69.03309	0.8
71.01250	9.9
72.01568	0.3
72.99167	1.2
73.02831	1.2
75.00736	0.6
81.03308	0.6
83.01249	1.1
85.02823	2.1
87.00764	2.3
88.98657	1.3
89.02313	8.2
92.92656	1.0
94.03600	0.2
95.01247	0.7
96.95899	0.4
97.02816	1.2
99.00759	0.7
101.02319	7.2
101.02990	0.4
113.02320	4.5
119.03388	2.4
125.02330	3.3
126.00359	0.2
133.04950	0.4
139.03883	0.5
143.03389	1.1
155.10602	0.4
161.04443	2.2
167.14273	0.5
171.10159	1.6
172.10481	0.7
179.05557	2.0
183.13820	7.6
193.10751	0.3
193.12233	1.8
195.58057	0.3
197.11766	0.4
211.13324	100.0
212.13661	4.4
217.07010	0.3
221.06644	0.7
229.51411	0.3
235.08168	2.7
246.62994	0.3
253.14479	0.5
259.08200	0.5
287.07727	1.0
305.08707	0.5
309.20728	0.8
310.21268	0.4
311.21277	0.3
323.09851	0.9
379.12427	4.7
379.38266	0.3
380.12680	0.5
397.13470	19.6
398.13776	1.0
415.14532	3.9
416.14792	0.4
429.21039	0.3
591.26563	6.9
592.26685	0.6
609.27606	7.4
610.28162	0.8
785.39948	1.5
792.92761	0.3
803.40906	0.7
863.41785	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	863.5008
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01561	0.2
69.03315	0.9
71.01253	13.3
71.36466	0.2
72.01598	0.2
72.99178	1.4
73.02822	2.2
75.00755	0.4
77.33567	0.2
78.95779	0.3
80.02551	0.9
81.03320	1.7
83.01257	1.7
83.04896	4.7
84.02032	0.9
85.02823	3.6
87.00748	3.9
89.02314	12.0
93.03320	0.2
95.01243	1.4
95.04895	0.8
97.02824	2.5
98.19781	0.6
99.00754	0.6
101.02322	10.0
106.70448	0.2
109.02831	0.4
109.06488	0.4
110.98193	0.2
111.04371	0.2
111.07937	0.2
113.02327	6.0
114.91383	0.2
115.03951	0.3
119.03378	3.3
119.08414	0.2
121.02823	0.3
124.01526	0.2
125.01422	0.3
125.02332	5.1
125.05964	0.6
127.75543	0.2
129.49196	0.2
131.03377	0.7
135.08035	0.6
139.03925	0.3
141.01753	0.3
143.03371	2.5
149.04427	0.3
161.04442	2.8
163.11205	3.8
164.11508	0.3
165.12769	2.5
167.03372	0.3
179.05527	3.4
181.12286	0.5
191.10655	1.1
199.06158	0.3
199.13345	0.6
203.05664	0.2
207.10170	0.5
208.10550	0.3
209.11761	100.0
210.12122	5.3
217.07112	0.8
221.06590	1.3
223.13293	0.3
225.11192	0.5
227.12837	12.6
228.13170	0.8
235.08186	4.6
251.12900	1.0
253.09296	1.0
255.23259	42.5
256.23615	3.2
259.08002	0.3
263.07590	0.4
269.24960	0.3
287.07654	1.6
305.08801	1.7
323.09872	1.0
379.12415	6.4
380.12891	0.4
397.13492	28.9
398.13867	2.3
415.14575	8.0
416.14954	0.7
589.25256	0.7
607.25983	1.5
653.37726	0.6
688.75079	0.2
845.49268	0.3
863.49957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32668	8.0
61.67360	8.1
64.14700	7.2
66.85139	6.9
69.03338	14.7
70.93459	17.9
71.01247	59.4
78.95816	7.9
85.02832	13.6
87.00760	24.8
88.98706	8.1
89.02341	37.5
96.95876	23.8
97.02795	14.3
97.06506	10.3
101.02316	27.9
111.07989	10.6
113.02317	22.1
113.75197	7.4
125.02342	24.2
125.09583	10.9
134.88042	7.2
171.10170	46.6
179.05518	11.6
209.11760	14.1
211.13374	32.7
231.13937	10.1
233.15228	38.3
240.82700	7.5
249.14900	19.9
385.23956	15.0
397.13541	18.7
403.24954	24.3
421.25952	15.3
783.37921	67.0
784.38519	13.1
801.38971	100.0
802.38983	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	861.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25154	1.4
71.01252	25.8
71.04909	1.2
72.99174	3.4
73.02824	4.3
75.68420	1.2
77.41438	1.2
78.95759	1.5
81.03342	3.0
82.57764	1.5
83.01256	3.4
83.04890	2.1
85.02810	6.7
87.00744	6.6
89.02319	23.9
95.01250	2.5
97.02808	13.8
99.00761	4.0
101.02318	17.7
109.06480	27.8
109.07181	2.8
110.03622	1.6
113.02315	9.6
119.03386	6.2
121.06453	2.2
125.02335	9.6
134.76802	1.6
135.08058	2.0
141.01767	1.9
142.02614	3.3
143.03403	5.3
161.04472	4.1
161.09612	1.9
163.11194	16.4
171.10132	1.8
179.05495	2.9
181.12215	4.3
189.09044	2.3
207.10190	100.0
208.10526	3.3
209.11815	4.1
225.11266	37.1
226.11555	2.4
229.25041	1.7
235.08211	7.4
243.12173	2.0
255.23260	83.4
256.23569	6.3
305.08853	2.3
379.12424	7.4
397.13483	57.2
398.14270	2.1
415.14688	12.6
534.22192	2.0
605.24390	5.8
606.24182	1.8
615.62695	1.6
623.25604	4.4
653.37244	2.6
861.48438	45.1
861.65216	2.2
862.49225	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	863.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98682	5.2
69.03316	5.6
71.01256	25.2
71.57819	2.6
72.99191	10.0
73.02811	4.0
75.00753	3.3
77.18481	1.8
78.95750	3.5
81.03333	2.1
83.01234	4.3
83.04879	6.8
85.02808	6.1
87.00743	8.9
88.98689	11.2
89.02314	21.1
95.01292	2.8
96.95900	9.3
97.02813	3.0
99.00720	3.1
101.02306	15.5
112.98657	2.6
113.02311	6.7
115.00239	5.3
119.03371	5.9
119.75481	2.0
125.02312	12.4
129.01814	2.7
132.66779	1.8
141.01616	5.3
143.03328	3.0
161.04411	3.9
163.11128	3.6
169.01237	2.6
171.10208	3.2
174.01517	2.7
175.02417	12.1
179.05530	4.0
179.14352	3.0
183.13832	4.9
191.10640	1.9
195.13809	8.4
197.11771	2.9
205.12253	8.7
209.11766	100.0
210.12123	3.0
211.13316	40.2
221.06627	2.2
223.13336	71.5
224.13623	2.6
227.12788	18.2
235.08197	5.1
253.09125	2.6
304.05099	1.9
379.12469	7.7
397.13504	44.2
415.14722	12.2
464.77817	1.8
571.82153	2.4
603.26666	5.9
607.26306	2.1
609.27740	2.5
621.27460	10.1
657.34558	2.5
659.46362	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	857.4828
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29548	3.7
61.28759	3.8
69.85365	20.6
70.54624	3.7
71.01249	11.0
73.98700	3.4
78.95778	5.1
83.47987	3.9
89.02301	5.7
96.95906	5.8
101.02311	10.1
102.07524	5.0
113.02323	6.1
116.92736	33.1
133.04970	3.9
144.36292	3.5
161.04448	5.2
195.13786	5.5
197.11778	22.0
198.12056	6.5
199.12364	4.5
209.11674	9.1
223.13264	4.6
235.08199	7.1
253.09230	23.5
277.21698	13.1
278.22040	9.9
281.39410	3.9
291.19659	27.4
293.21219	100.0
294.21555	7.1
309.20688	95.8
310.21088	6.5
397.13385	6.4
398.13821	6.7
527.28320	6.5
545.29626	31.9
546.29651	5.8
821.50470	60.0
822.50317	11.6
857.47961	21.0
858.47998	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	857.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	8.2
66.94094	7.9
73.07386	7.8
84.87618	6.2
88.46235	6.4
88.98679	7.6
89.02325	15.6
98.20563	13.6
143.79570	7.2
153.09048	6.9
159.45439	7.7
171.10172	23.0
197.11798	13.5
199.09734	7.3
209.11806	39.3
229.22771	8.5
235.08110	7.7
247.05438	8.3
277.21747	76.1
278.21915	7.5
281.85883	7.4
285.30139	6.6
289.18311	7.5
307.19128	100.0
319.62518	7.7
325.20016	40.9
497.22620	8.4
525.26978	13.3
543.28137	60.3
561.30170	8.4
573.26984	7.1
803.49219	50.7
857.48505	37.0
858.48468	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	859.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.63475	4.9
71.01254	11.2
73.88275	5.4
81.30891	5.7
89.02337	7.3
95.12374	5.8
98.20617	16.2
100.35575	6.5
101.02269	10.6
103.00182	7.0
116.92752	15.2
170.37244	5.6
171.10188	13.3
211.13335	13.7
229.14505	9.7
229.62161	6.7
232.01773	5.8
235.08134	31.1
253.09271	32.2
255.23291	14.1
277.21722	100.0
278.22208	8.2
308.57828	6.4
309.20703	28.9
327.21768	90.8
397.13351	12.2
545.29468	16.5
563.30194	12.2
587.42975	6.7
823.52478	10.5
859.49194	42.8
860.49213	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	857.483
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85820	7.6
71.01231	21.4
72.99184	3.7
76.41123	4.0
77.04867	3.7
77.20797	3.6
78.95760	5.5
85.02850	6.4
87.00761	6.9
89.02334	21.8
96.95866	10.0
101.02286	14.2
109.02647	3.5
112.64349	4.0
113.02325	7.5
116.92728	48.8
119.03327	4.2
125.02336	6.0
140.93423	3.6
149.38815	3.7
161.04420	4.6
166.23576	3.7
169.12196	4.3
171.10223	5.9
179.05438	5.1
181.12270	9.2
197.11713	8.7
198.12167	3.9
199.09431	4.9
199.13316	100.0
235.08134	7.0
253.09233	13.5
277.21704	58.3
278.21912	4.3
291.19653	13.7
293.21280	27.5
303.50888	4.8
309.20786	27.1
310.20822	4.3
379.12494	7.0
397.13431	46.3
398.13528	5.1
415.14517	12.1
545.29999	4.5
581.61688	4.7
650.16797	4.3
769.96582	4.2
857.48309	19.0
858.46338	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	857.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01245	7.1
71.04335	5.2
71.04678	4.1
82.60189	3.1
84.31638	3.2
88.98695	7.3
89.02310	5.8
96.95876	4.2
101.02322	6.5
116.92802	7.8
127.11457	3.1
153.09079	6.9
171.10231	6.3
175.42876	3.5
185.11761	3.6
197.11731	7.2
207.92236	3.5
209.11809	15.8
235.08212	12.0
253.09218	12.3
277.21722	100.0
278.21942	10.9
289.18060	9.8
307.19135	40.6
325.20151	19.6
525.26874	7.7
543.28076	9.0
803.49414	27.8
804.49738	12.9
821.51172	9.8
836.18976	4.0
857.48315	26.5
858.48944	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	855.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98687	0.6
67.01741	0.4
69.03326	3.2
71.01249	7.7
72.45917	0.4
72.99150	0.4
73.02798	1.6
81.03301	0.5
82.95255	1.5
83.01231	1.4
83.04881	1.3
84.02026	0.5
85.02351	0.5
85.02818	8.5
87.00733	1.7
89.02302	5.4
91.03852	0.4
95.01228	0.9
95.04858	0.5
96.95275	0.6
96.95889	9.6
96.96817	0.6
97.02825	5.2
97.06456	3.2
98.19762	0.9
98.95457	0.5
99.00730	0.6
101.02309	6.9
107.17405	0.4
109.06437	0.7
111.08023	5.7
113.02319	3.2
119.03346	1.6
119.08541	0.9
123.08013	0.7
125.02267	0.6
125.09604	2.0
127.07526	0.5
127.11158	2.0
133.04866	0.5
137.09627	3.9
143.03381	0.5
145.04950	1.0
149.09599	0.4
151.11261	0.6
153.09061	0.7
155.10640	1.5
155.14330	0.5
161.04439	3.2
163.11203	0.9
165.12779	2.9
167.14259	0.7
169.12238	3.0
171.10168	31.2
172.10492	1.2
177.12721	1.3
179.05496	0.7
181.12260	1.3
183.13846	3.2
185.11765	1.5
191.14265	0.5
193.12242	1.9
197.11757	29.7
198.12090	1.2
199.13297	1.8
201.11284	1.4
207.84317	0.5
209.11812	2.9
211.13322	20.3
212.13647	1.3
221.11746	3.3
223.13338	0.5
223.77515	0.4
227.12782	3.1
229.14381	10.1
229.47577	0.5
230.14703	0.7
235.08170	9.7
239.12784	2.5
239.91837	0.5
247.20705	2.2
253.09250	36.1
254.09619	2.1
263.20135	1.4
265.17999	0.7
273.18542	1.4
291.19647	29.7
292.19962	2.5
293.21130	1.0
309.20688	91.9
310.21078	8.0
327.21738	100.0
328.22113	7.2
433.20807	0.4
443.20731	0.4
527.28412	0.7
545.29730	5.3
546.29529	0.5
548.49536	0.5
563.30682	6.0
564.31317	0.6
619.42090	4.9
620.42371	0.8
749.42841	0.4
783.36633	0.4
784.56769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57788	1.4
61.98699	2.9
71.01245	16.6
72.99190	2.2
78.95789	2.4
83.04888	4.5
85.02821	3.0
87.00762	3.6
88.98746	1.4
89.02322	12.2
96.95872	5.7
97.02892	2.1
101.02322	13.5
103.35568	1.5
113.02311	8.3
119.03370	5.0
121.02835	2.3
125.02324	5.7
137.02321	1.5
143.03424	3.2
159.09769	1.3
161.04425	4.2
163.11220	2.3
171.10158	6.4
179.05516	8.5
183.13776	4.7
209.11758	100.0
210.12157	3.1
211.13327	98.0
212.13696	4.0
227.12825	29.9
228.12984	1.8
229.47136	1.9
235.08202	5.7
240.05658	1.4
253.09109	2.2
287.07718	1.9
305.08731	2.0
323.09799	3.3
379.12503	14.0
397.13489	68.0
398.13837	4.1
403.23883	1.5
415.14557	12.2
589.24744	4.1
591.26654	9.3
607.26062	5.9
609.27649	14.3
610.27008	2.1
655.37421	1.9
732.39917	1.7
783.38257	2.7
801.39661	6.9
819.40729	2.7
855.37903	24.4
856.38898	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	855.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80818	4.8
71.01247	8.6
71.56585	6.4
73.10291	5.3
78.95777	13.8
91.06375	5.5
96.95883	100.0
98.95463	33.4
98.96291	9.5
99.00751	10.6
115.91968	7.8
133.34602	5.3
183.84174	5.1
197.11761	12.0
233.56055	5.5
248.57939	5.9
253.09271	11.2
277.21777	15.0
289.18103	13.2
291.19586	16.7
293.21173	18.0
307.19138	16.8
309.20874	6.7
397.13376	10.8
687.00507	6.2
855.47186	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	855.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03325	2.2
71.01249	17.7
71.56316	0.7
71.56707	0.6
72.99188	2.4
73.02805	2.9
78.66297	0.4
81.03326	1.1
83.01257	2.1
85.02814	4.5
87.00755	4.3
89.02314	13.2
95.01254	1.7
96.95898	0.7
97.02825	3.0
99.00717	1.0
101.02319	12.6
102.56407	0.5
113.02323	7.6
119.03368	3.7
125.02325	6.5
131.03398	1.3
143.03412	3.3
153.12769	1.2
154.24303	0.5
161.04457	3.1
169.12238	5.4
179.05545	3.2
179.10687	0.6
181.71040	0.6
197.11755	100.0
198.12093	4.9
209.11740	1.2
211.13295	0.9
213.88939	0.5
219.18631	0.5
221.06587	1.3
235.08191	5.3
259.08145	0.5
277.21695	51.7
278.22083	3.2
287.07712	2.0
291.19653	1.2
293.21185	1.8
305.08798	2.1
323.09909	1.1
379.12424	7.6
397.13477	37.9
398.13684	2.2
415.14529	8.0
416.14850	1.1
577.25116	2.2
595.25928	2.3
675.35492	0.7
867.24963	0.7
872.43268	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.532
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98695	0.5
69.03320	1.9
70.13904	1.4
71.00887	0.5
71.01248	6.4
71.04874	0.6
72.99149	0.5
73.02821	0.6
75.00762	0.7
78.95740	0.6
83.01244	1.1
83.04892	1.3
83.19297	0.4
84.02036	1.9
85.02825	1.9
87.00735	1.2
88.24178	0.3
89.02310	3.7
95.01279	0.5
95.04891	0.7
96.95875	6.5
97.02823	1.6
97.05867	0.7
97.06465	9.7
99.00732	0.5
99.04382	0.8
101.02327	5.0
109.06452	1.1
111.08056	2.3
113.02314	3.6
116.92723	0.7
119.03379	0.9
121.10075	0.7
123.04369	0.4
125.02287	0.7
125.09615	2.6
127.11187	0.4
137.09604	1.2
141.09085	0.4
141.69777	0.4
143.03340	0.7
145.04939	0.3
151.11168	0.5
153.09097	0.6
161.04439	3.2
163.11169	0.7
165.12752	1.3
166.64897	0.3
167.10692	0.8
169.12239	1.0
171.10181	10.8
172.10541	0.5
175.11230	0.7
177.12798	0.7
179.05496	1.0
179.14296	0.6
181.12231	0.8
183.13875	0.5
185.11754	2.5
191.14313	0.7
193.12251	12.1
195.13823	8.0
196.14476	0.5
197.11737	6.6
197.15373	0.5
199.13283	0.5
201.11227	0.5
203.10606	0.3
205.12233	0.9
205.15953	0.4
209.11739	3.4
211.13307	5.3
217.16125	0.4
221.11746	1.1
223.13326	5.3
225.11365	0.8
225.14886	16.1
226.15222	0.6
227.12807	1.2
231.18579	0.4
231.21095	0.4
235.08264	2.2
237.11136	0.4
239.12863	0.5
243.15944	7.2
245.19019	1.4
246.19652	0.3
249.22263	0.4
253.09242	33.1
253.14304	1.7
254.09641	1.2
256.13071	1.0
263.20175	0.8
265.18109	0.4
265.21515	0.5
271.17072	0.5
273.18610	0.6
275.20099	5.7
277.21667	0.4
289.18069	5.8
290.18417	0.6
291.19638	7.2
292.19952	0.8
293.21204	85.3
294.21512	6.4
305.21255	0.7
307.19040	4.9
309.20688	7.8
310.21054	1.0
315.57858	0.4
323.22205	1.2
325.20120	1.1
327.21790	0.6
341.23285	100.0
342.23618	7.7
529.30090	0.7
577.32312	3.9
578.32428	0.9
617.44183	7.3
618.44067	1.2
683.36865	0.4
708.21509	0.4
853.48462	0.8
863.22473	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25388	0.7
61.98705	8.2
62.22925	0.8
65.12580	0.8
69.03326	2.3
69.90720	1.0
70.01299	3.5
71.01250	15.3
71.04880	2.3
72.99183	1.6
73.02828	2.7
75.00738	2.0
78.95776	4.2
79.05358	0.8
79.95611	3.0
80.02536	1.5
80.91550	4.1
80.96398	1.1
83.01246	1.7
83.04904	4.8
84.02059	1.7
85.02819	6.5
87.00751	3.0
89.02319	8.6
95.01255	2.3
95.04903	2.5
96.95889	95.6
96.96880	3.6
97.02846	2.9
97.06467	4.8
98.95469	2.3
99.00764	3.1
99.04399	2.4
101.02330	10.2
107.04929	1.3
109.02798	1.1
109.06468	7.7
110.76569	0.7
111.08041	5.9
112.05207	0.9
113.02320	6.5
113.09579	2.1
114.93353	0.9
115.07540	3.3
119.03413	2.0
123.04398	1.4
123.08089	1.9
125.02303	1.1
125.05989	1.1
125.09598	4.1
127.07531	3.6
127.11190	1.3
135.08029	2.6
137.09587	2.0
137.66019	0.8
141.09093	1.2
143.03346	0.9
145.04941	0.8
151.07469	1.0
151.11166	1.8
153.09117	12.2
153.12744	1.6
155.10703	3.0
161.04460	4.6
163.11188	6.0
165.12773	5.9
167.14285	1.5
169.12224	3.5
171.10176	28.2
178.09914	2.4
179.05536	2.4
179.10672	1.3
180.10982	0.9
181.12270	4.7
183.13802	2.2
185.11755	6.7
191.10728	2.0
191.14357	2.0
193.12199	2.0
195.13832	2.9
197.11763	42.2
198.12140	1.8
199.13303	1.3
209.11766	51.3
210.12164	2.2
211.13329	16.7
213.14980	0.9
219.13864	1.4
221.11821	1.5
221.15340	2.3
227.12672	4.0
229.14349	2.3
235.08182	7.0
235.13309	1.7
237.14920	1.5
238.12137	1.2
239.12634	1.3
245.18924	3.9
247.20578	4.0
249.15150	1.0
253.09244	30.7
254.09731	1.4
263.20200	4.8
265.18091	1.1
271.16959	1.1
273.18573	2.3
279.19693	1.8
281.21219	2.4
287.16629	0.9
289.15094	0.8
289.18076	18.2
289.21072	1.6
291.19662	34.2
292.20038	3.2
293.21198	6.5
297.20691	1.6
305.17514	1.9
307.19138	68.1
308.19516	3.4
309.20697	100.0
310.21039	6.4
311.22156	1.8
325.20184	60.9
326.20505	3.1
327.21729	9.5
342.52206	0.8
445.20581	1.1
474.20767	1.4
525.27069	2.6
527.28607	2.2
541.25989	1.2
543.28088	18.2
544.28760	1.4
545.29492	5.7
561.15265	0.9
561.29053	5.4
597.32983	1.1
617.40070	1.6
693.38385	2.1
737.41510	1.0
766.41516	3.4
789.62238	1.0
817.47205	1.8
835.48047	9.2
836.48114	1.9
853.49664	19.7
854.49976	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	853.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98689	3.6
68.99432	1.6
69.03320	4.0
71.01244	13.8
71.04888	1.5
71.12354	2.0
72.99169	0.8
73.02821	3.9
75.00750	0.8
80.02570	1.3
81.03313	2.5
83.01245	2.8
83.04881	4.3
84.02034	1.1
85.02816	9.7
87.00758	2.5
89.02314	8.3
91.03916	1.1
93.03315	0.8
95.01269	1.6
95.04881	3.2
96.95882	12.8
97.02835	4.4
97.06461	6.2
99.04345	0.9
101.02323	10.1
107.04898	0.8
109.06499	1.7
109.86267	0.8
110.03634	0.8
111.08044	5.2
112.98415	2.0
113.02333	5.7
119.03375	3.0
119.04904	1.1
119.08458	0.7
121.10166	0.9
122.02009	0.9
123.04433	2.4
123.08006	1.3
125.02352	1.3
125.09586	7.3
127.07552	2.5
127.11176	2.3
135.08012	1.3
137.09607	5.0
140.51050	0.8
145.04968	2.2
151.11186	1.6
153.09123	8.6
155.10677	1.9
161.04497	4.1
163.11180	7.5
165.09038	1.0
165.12820	4.3
167.10597	1.1
169.12195	3.4
171.10173	32.6
177.12735	1.3
178.09879	1.2
179.05492	1.5
179.10719	1.4
181.12202	2.0
182.01559	1.0
183.13818	3.8
185.11803	5.7
191.10686	1.9
191.14322	6.1
192.14534	0.9
193.12198	2.0
195.13802	0.8
197.11745	32.8
198.12080	1.4
199.13373	1.5
201.11319	1.6
207.10202	1.7
209.11768	32.4
210.12178	1.4
211.13318	22.4
212.13548	1.1
221.11729	3.0
225.11249	2.6
227.12820	3.0
229.14398	11.5
235.08139	10.1
237.11252	3.3
237.14902	1.3
239.12752	1.9
245.19069	11.0
247.20631	1.5
253.09238	40.8
254.09500	1.2
263.19968	4.6
271.17050	2.4
273.18427	0.8
281.21152	1.6
289.18085	52.3
290.18588	4.1
291.19659	23.0
292.19934	1.7
307.19131	78.6
308.19427	6.3
309.20673	51.1
310.20972	3.5
312.93304	0.9
325.20157	19.4
326.20416	1.2
327.21738	100.0
328.22003	6.1
454.29813	0.8
525.26758	2.8
543.27850	6.4
544.27832	1.4
545.30127	2.1
561.29291	2.2
563.30719	4.1
617.40527	1.9
766.41272	1.8
835.48615	6.8
836.47388	1.3
853.49933	5.3
854.49994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4952
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76855	1.1
61.69788	1.0
61.98698	12.5
68.28492	0.8
69.03342	1.7
71.01253	11.3
71.04899	1.7
71.55496	0.9
71.57671	1.2
72.99188	1.2
73.02818	3.1
74.88778	0.9
79.95610	1.2
81.03320	1.6
82.95292	2.1
83.04900	4.3
84.02039	1.5
85.02818	4.9
85.06500	0.9
87.00754	2.9
89.02324	5.7
93.03328	1.4
95.01263	1.1
95.04922	2.3
96.95886	15.6
97.02831	3.8
97.06493	2.3
98.95442	1.6
99.00776	1.6
99.04375	1.6
101.02321	10.1
109.06469	3.4
111.08021	3.4
112.05209	1.7
113.02341	4.6
115.07527	2.0
119.03383	2.2
121.06510	1.3
123.08028	1.9
125.05895	1.1
125.08839	0.9
125.09586	6.0
127.07532	3.2
127.11165	1.4
135.08061	4.2
137.09595	2.4
139.07599	0.9
141.09055	1.2
153.09109	17.6
161.04469	3.4
163.11227	6.4
165.12775	7.7
167.10591	1.3
169.12305	1.6
171.10194	30.4
172.10487	1.5
178.09950	2.5
179.05540	1.3
179.14345	2.7
181.12219	2.8
183.13811	1.2
185.11783	6.1
191.10667	2.0
191.14258	1.7
193.12210	1.7
193.15919	1.4
195.10220	2.0
197.11766	19.2
209.11774	54.6
210.12044	1.7
211.13396	6.1
217.15776	1.0
223.13277	2.8
225.11180	1.1
227.12862	3.9
235.08220	5.0
235.13232	1.3
236.10493	1.1
237.11052	1.2
238.12129	1.8
245.19070	2.6
247.20656	8.0
253.05119	1.0
253.09270	25.3
254.09329	1.3
273.18570	3.0
279.19748	1.1
287.16452	1.2
289.18100	21.5
290.18472	1.2
291.19659	75.8
292.19974	5.9
307.19162	68.0
308.19403	4.5
308.84076	1.0
309.20712	100.0
310.20929	5.1
325.20187	38.7
326.20462	2.1
327.21713	4.5
407.19379	1.8
427.28210	1.1
525.26862	3.6
527.28510	1.4
543.28198	15.3
544.28534	1.3
561.29132	3.5
617.41083	1.4
766.41327	1.9
817.47144	2.3
835.48737	10.2
836.47833	1.2
853.49384	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	853.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	10.0
69.03326	3.1
71.01249	17.6
71.04895	2.7
71.12475	2.1
72.99176	1.1
73.02828	3.1
73.66334	0.7
75.00761	0.8
78.95780	1.6
80.02556	2.6
80.91553	5.0
81.03339	2.3
82.95281	1.0
83.01261	2.6
83.04890	6.4
84.02016	1.3
84.11124	0.8
85.02821	11.0
87.00761	4.3
89.02319	9.2
91.03870	1.0
91.05392	0.8
93.03340	0.8
93.06987	1.0
94.92366	1.5
95.01265	1.3
95.04913	2.4
96.95885	16.5
96.96857	1.0
97.02832	6.1
97.06462	6.4
98.95442	1.2
99.00751	1.2
99.04388	2.2
101.02322	12.6
103.49535	0.7
106.04108	0.9
109.06467	9.3
110.03616	0.9
111.08040	13.4
113.02310	7.8
113.05993	1.4
115.07513	1.9
116.92793	0.7
119.03407	2.6
121.06506	0.9
123.04369	2.1
123.08022	1.1
125.02315	1.2
125.05901	0.9
125.09617	5.0
127.07516	4.0
127.11164	1.2
129.66673	0.8
135.08031	1.9
137.09567	4.6
143.03461	1.9
145.04976	1.9
151.11185	3.1
153.09119	11.2
153.12744	1.5
155.10677	2.1
161.04451	5.2
163.11176	6.8
165.09099	1.1
165.12753	4.5
167.10687	1.3
169.12250	7.1
171.10172	37.0
172.10576	0.9
176.89915	0.8
177.12770	1.1
178.09904	2.3
179.05473	2.3
179.10678	2.4
181.12242	5.6
183.10223	1.1
183.13826	3.8
185.11708	7.8
191.10698	3.3
191.14359	3.6
193.12263	2.5
195.13792	0.8
197.11755	81.9
198.12109	3.5
199.13347	5.7
201.11269	1.1
207.10233	2.3
209.11769	43.1
210.12082	2.3
211.13326	27.3
212.13708	1.2
219.13788	1.3
221.11815	2.0
225.11214	2.1
227.12819	7.6
229.14406	4.4
235.08167	12.7
235.13339	3.8
237.11234	1.9
237.14876	1.8
239.12833	1.9
245.19072	8.5
247.20663	2.6
253.09250	46.2
254.09698	2.0
262.42172	0.8
263.20123	9.4
265.18051	2.2
266.57162	0.8
271.17108	1.0
273.18564	1.9
279.19641	1.4
289.18085	35.2
290.18506	2.2
291.19650	31.5
292.19968	2.7
293.21198	3.4
297.20776	1.9
305.17468	1.1
307.19119	77.6
308.19507	4.4
309.20694	100.0
310.21008	6.0
325.20172	70.0
326.20584	4.2
327.21738	55.0
328.22049	3.3
341.19647	1.0
342.61279	0.7
433.20688	1.1
445.20615	2.5
525.26984	4.2
543.27997	17.5
544.28424	1.3
545.29358	4.0
561.29144	4.8
563.30750	2.1
617.40588	2.8
755.42682	1.6
766.42065	2.4
835.48523	9.3
836.49017	1.6
853.49182	6.8
854.50061	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98702	2.3
71.01254	41.2
71.58620	2.4
72.99183	4.6
73.02834	3.9
74.96057	2.2
78.95788	6.0
79.95560	1.8
80.96384	2.7
83.01244	2.1
83.04890	5.3
85.02816	7.4
87.00749	5.8
89.02309	16.3
92.36937	1.7
95.01199	1.8
95.10928	1.7
96.95873	15.8
97.02843	3.0
97.06459	3.8
99.00772	2.4
101.02328	16.0
109.06486	2.3
113.02366	8.3
113.74197	1.7
114.79816	1.5
114.93270	2.4
115.03899	2.2
119.03394	3.9
125.02335	5.8
129.89696	1.7
133.41620	1.8
135.08049	2.2
145.02872	2.5
151.11182	13.0
161.04396	3.1
163.11200	3.2
165.12708	3.5
169.01294	2.6
169.12254	81.3
170.12570	2.5
171.10164	10.2
179.05544	2.3
183.13675	1.9
201.11250	4.7
207.10165	6.5
209.11775	62.3
209.13771	3.2
210.12070	4.2
211.13354	17.2
213.11192	13.3
221.06668	3.9
225.11153	3.1
227.12843	5.1
235.08266	4.4
265.07474	8.9
331.74051	1.8
349.84641	1.8
397.13452	9.4
611.25403	2.3
817.38397	3.6
821.38068	100.0
822.38208	15.8
853.40155	16.3
854.39941	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	853.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01232	33.6
73.17226	21.7
77.00453	19.3
77.88136	21.5
78.95763	59.1
96.79156	21.0
96.95893	96.9
98.20580	46.7
116.92725	72.5
144.74327	19.7
153.05501	23.2
177.09120	25.2
193.58295	23.5
195.10226	23.4
195.13934	26.9
235.08195	24.8
253.09288	54.4
267.48581	21.4
277.21686	92.6
287.16495	32.0
289.18048	29.8
291.19757	58.5
293.21188	98.9
305.17627	100.0
309.20560	44.3
397.13403	22.2
398.58798	22.8
853.46332	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51533	1.0
67.01791	0.9
69.03320	4.5
70.01270	4.9
71.01256	12.6
72.99156	1.4
73.02814	2.2
75.00733	1.4
78.95773	3.2
79.95602	2.7
81.03332	3.3
83.01248	3.5
83.04890	2.4
84.02043	2.0
85.02821	5.5
87.00755	2.7
89.02309	8.4
91.17400	1.0
94.92397	1.2
95.04921	2.4
96.95889	100.0
96.96883	3.9
97.02827	7.0
97.06462	10.9
98.20538	1.2
99.00741	1.9
101.01757	1.3
101.02327	10.6
109.06493	1.2
111.08046	9.5
113.02322	6.7
114.96137	0.9
116.92712	5.0
119.03382	2.7
119.08540	1.1
121.10097	1.1
121.83009	0.9
122.00629	0.9
123.04389	2.9
123.08047	2.9
125.02410	1.4
125.09609	11.1
127.07497	1.7
135.08076	1.7
137.09605	4.0
141.12718	1.4
143.03371	1.5
145.04866	1.1
151.11134	1.6
161.04477	5.8
161.09666	1.3
163.11191	8.9
165.12740	6.7
167.10687	3.0
169.12219	3.9
171.10184	15.2
177.12645	1.7
179.05580	1.8
179.10701	2.7
179.14348	1.1
181.12271	2.0
183.13828	1.5
185.11749	12.9
191.10760	1.6
191.14351	7.7
193.12228	9.2
193.16106	1.7
195.13800	7.2
197.11771	52.6
198.12056	2.1
199.13330	2.1
201.11214	1.7
207.10204	2.9
209.11766	23.3
211.13295	10.4
221.11827	1.3
223.13322	6.7
225.11285	3.0
225.14868	10.9
227.12816	8.5
228.13658	1.0
235.08162	8.3
237.11293	3.2
243.15863	5.0
245.19083	15.9
247.20657	3.1
253.09253	45.1
263.20120	4.7
265.17880	1.3
273.18610	1.7
275.20206	5.2
289.18079	58.8
290.18347	4.3
291.19656	47.3
292.19983	3.6
293.21216	84.5
294.21451	4.2
307.19147	46.4
308.19470	2.8
309.20703	60.3
310.21051	4.0
327.21552	1.8
341.23312	66.0
342.23593	3.1
397.80417	1.1
492.21909	1.0
511.30408	1.0
529.30078	1.6
577.31970	2.5
617.44037	4.4
801.41022	1.2
853.48883	4.0
865.52869	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
60.92159	0.1
61.78773	0.1
61.98698	0.8
62.67524	0.1
71.01242	0.7
71.57341	0.2
78.95772	3.3
79.95603	3.1
80.91525	0.1
80.96397	0.3
83.04887	0.2
96.95885	100.0
96.96770	4.7
97.02816	0.2
97.95824	0.3
98.02338	0.2
101.02319	0.2
111.08014	0.2
118.96506	0.2
161.04594	0.1
164.98575	0.1
171.10167	0.4
193.23645	0.1
197.11765	0.4
209.11771	1.3
211.13307	0.3
225.11333	0.1
227.12859	0.3
253.09256	0.3
265.07486	1.1
270.01337	0.1
289.18195	0.5
291.03931	0.5
291.19653	0.3
307.08557	0.2
307.19244	0.3
309.10147	0.3
309.20731	0.5
327.21777	0.3
335.03046	0.2
338.65475	0.1
351.06091	0.4
459.20428	0.2
483.15347	0.3
485.16953	0.3
853.42865	0.5
854.43787	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98696	1.5
66.09285	0.1
69.52750	1.1
71.01256	0.7
78.95770	3.6
79.95610	3.1
80.96397	0.4
85.02824	0.2
87.33852	0.1
94.92373	0.2
94.97993	0.2
95.14384	0.1
96.95887	100.0
96.96771	4.9
97.95827	0.2
98.08363	0.2
98.19861	0.2
101.57258	0.1
109.06425	0.1
113.02244	0.2
118.96531	0.1
125.02304	0.2
137.09584	0.2
163.11214	0.2
168.62251	0.1
171.10164	0.7
172.10551	0.1
189.00766	0.2
194.16107	0.1
197.11719	0.4
209.11742	1.6
211.13336	0.5
223.13272	0.3
225.11348	0.2
227.12779	0.3
253.09280	0.4
265.07550	1.1
267.09094	0.3
289.18027	0.4
291.03934	0.7
291.19635	0.3
307.08698	0.3
307.19086	0.2
309.10220	0.4
309.20633	1.2
325.09952	0.2
327.21805	0.4
335.03030	0.2
340.70901	0.1
347.15350	0.2
351.06119	0.6
382.85828	0.1
459.21021	0.2
483.15555	0.6
485.16901	0.4
557.28583	0.2
658.94861	0.2
853.41595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88211	0.3
65.93462	0.3
69.03339	0.7
71.01254	9.7
72.99182	0.6
73.02820	1.3
76.69019	0.3
80.02554	2.0
81.03323	1.7
83.01237	1.1
83.04894	4.8
84.02055	1.2
85.02827	2.1
87.00753	2.5
87.92446	0.4
89.01813	0.6
89.02318	7.9
90.02687	0.5
93.03284	0.4
95.01255	0.9
95.04895	0.9
96.95902	0.5
97.02831	1.3
99.00732	0.7
101.01682	0.7
101.02315	7.0
109.02808	0.5
113.02338	3.2
119.03422	2.5
125.02331	3.9
125.05980	0.5
125.09587	1.5
127.11170	2.5
131.03418	0.5
135.08081	1.1
137.02295	0.6
137.09538	0.5
138.65877	0.4
139.03860	0.4
143.03423	1.5
145.02800	0.4
146.04494	0.5
147.11691	0.4
149.02318	0.5
151.03899	0.7
155.10658	1.0
161.02386	0.4
161.04468	2.3
163.03882	0.6
163.11172	4.0
165.01889	0.5
165.05418	0.4
165.09157	0.9
165.12781	2.5
169.01201	0.6
171.10133	1.8
179.05505	2.4
181.12253	0.7
188.97760	0.4
191.10722	1.1
195.06482	0.5
199.09677	0.7
201.11255	40.1
202.11639	2.0
209.11761	100.0
210.12106	6.5
221.06610	1.3
225.11288	0.9
227.12827	15.6
228.13194	0.7
229.67102	0.6
235.08154	2.5
251.12653	0.5
253.09241	0.4
257.13107	0.4
270.05853	0.4
287.07690	0.9
289.07217	1.1
292.42618	0.5
305.08643	0.6
323.09906	0.7
362.09567	0.5
379.12476	2.9
393.22827	0.6
397.13452	24.3
398.13837	2.1
415.14578	8.3
567.22864	0.4
581.24249	0.8
589.24994	0.7
599.25494	2.0
607.26379	2.8
791.37286	0.5
799.37250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	22.8
61.49643	1.8
61.98697	8.8
68.99679	3.6
69.03307	5.4
71.01250	24.6
71.12148	5.1
72.99178	4.7
73.02825	2.9
74.06301	2.1
75.00736	6.1
78.95770	5.3
79.95595	2.9
81.03339	3.4
83.04897	4.2
85.02809	14.5
87.00747	4.3
89.02303	8.3
95.04895	6.4
96.95885	66.8
97.02832	4.2
97.06453	3.9
98.95467	18.8
98.96242	4.6
99.00760	7.8
101.02310	13.4
103.06121	2.1
106.04132	2.1
107.04915	9.7
109.06465	7.1
111.08049	14.1
113.02318	9.6
113.99417	1.9
114.11302	1.9
119.03360	3.5
119.04845	2.5
123.04414	2.3
123.08039	2.3
125.02290	2.8
125.09579	2.6
135.08054	2.6
137.09482	2.7
151.07515	13.2
153.09129	2.5
153.12801	2.3
161.04457	4.9
163.11215	4.4
169.12289	5.7
171.10159	13.0
177.12755	10.9
178.87502	1.9
179.14418	2.3
181.12230	3.9
183.13884	2.8
191.14314	3.3
193.12201	2.6
195.13840	22.3
197.11771	86.0
199.13461	4.6
201.11295	3.4
203.10698	7.0
203.14294	4.1
207.10197	3.2
207.13887	3.1
209.11755	16.7
209.15363	2.6
211.13358	20.4
212.13661	2.6
221.11792	6.5
221.15433	5.2
223.13289	3.9
227.12816	7.9
229.12347	2.8
235.08195	10.2
235.13289	15.7
237.14914	9.5
241.09027	2.3
243.17546	3.4
247.13388	32.8
253.09244	27.5
261.18527	13.4
263.20139	3.8
265.14462	14.8
279.19724	7.1
287.16611	15.1
289.18103	7.0
291.19641	44.0
292.19901	3.6
293.21170	5.2
305.17603	58.6
306.17932	3.3
307.19156	9.8
309.20697	100.0
310.20981	7.8
323.18680	4.5
325.20114	6.0
333.28613	2.3
471.22440	3.3
483.22531	4.1
501.23083	6.2
541.26471	7.1
545.29407	3.8
793.43445	9.1
833.47101	13.6
851.48096	24.3
852.48260	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	853.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99683	4.3
71.01247	1.7
72.99175	25.1
75.00729	1.8
81.03323	0.5
87.00722	0.9
93.03328	26.2
94.03653	0.8
95.01247	0.5
96.68980	0.4
96.95871	0.6
99.00731	1.3
101.02296	0.7
106.04114	1.1
107.04899	45.9
108.05225	1.7
109.02851	0.6
117.03351	0.5
119.04926	0.7
120.01116	0.5
121.06493	0.6
123.00794	0.5
123.04390	1.5
125.02302	1.2
131.04916	1.0
133.02829	2.8
134.03560	1.2
135.00769	1.1
135.04407	9.7
145.02820	0.8
147.04370	0.7
149.05977	6.6
158.02078	0.4
161.02406	0.6
163.03874	1.9
165.05469	26.8
166.05807	1.4
175.03882	3.6
175.67319	0.4
179.03401	0.5
181.04942	1.8
183.64404	0.4
193.04970	11.0
194.05319	0.6
195.06598	0.9
207.06470	0.8
211.06079	2.0
227.03391	1.2
242.05743	3.0
255.02936	2.8
256.03543	0.8
257.08133	11.1
258.08603	0.5
271.06122	0.5
272.06525	0.6
284.03171	3.1
285.04089	1.1
299.09238	1.9
300.02689	0.6
301.03775	0.9
301.07162	2.0
315.08719	15.0
316.09030	1.5
325.07208	1.5
329.06625	3.4
330.07172	0.5
341.06534	0.8
343.08249	2.0
361.09390	0.5
405.08221	100.0
406.08545	7.9
417.08136	5.4
418.08600	0.6
435.10837	1.3
447.09518	1.1
794.01410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	21.2
64.20002	0.8
67.20306	0.5
69.03323	1.8
69.57913	4.6
71.01250	65.3
72.99184	2.0
73.02818	5.8
78.95786	0.7
80.02544	1.8
81.03332	3.0
83.01255	2.6
83.04890	8.2
84.02020	1.5
85.02808	5.7
87.00746	4.8
89.02312	15.3
93.03332	1.2
95.01228	1.6
95.04896	2.5
96.95882	1.6
97.02841	4.1
97.06491	1.1
99.00738	3.2
99.04387	0.9
101.01688	1.1
101.02319	14.8
107.04884	0.8
108.09222	0.6
109.02820	0.9
109.06463	4.7
110.03616	0.8
110.96140	0.6
111.00772	0.9
111.04379	1.0
113.02328	8.9
119.03379	4.8
122.98567	0.6
124.11133	0.7
125.02333	7.1
125.05971	1.2
125.09608	2.7
127.11162	2.2
131.03467	0.9
135.04399	0.8
135.08089	1.5
137.02364	0.7
139.07507	1.4
139.11165	0.8
141.01801	1.3
142.02489	0.8
143.03398	2.6
145.02864	0.9
149.04457	1.0
149.09598	0.8
155.10683	1.3
161.04454	2.6
161.09535	1.2
163.03932	0.7
163.11182	10.3
165.09155	0.7
165.12741	2.5
167.10718	1.0
169.01309	0.7
171.10172	30.2
172.10547	1.1
179.03410	1.0
179.05525	3.9
181.12263	4.4
185.11772	2.4
189.09068	0.8
197.11768	2.0
199.09702	1.1
199.13326	1.1
201.11253	23.0
202.11606	1.0
207.10191	15.5
208.10432	1.1
209.11758	100.0
210.12086	4.7
211.13321	1.7
215.12831	2.6
221.06627	2.5
225.11264	34.2
226.11734	1.1
227.12823	13.1
233.11809	0.8
235.08214	4.1
243.12378	3.6
251.12805	1.8
253.09216	1.6
255.22995	0.7
287.07660	0.9
305.08890	2.2
323.09753	0.8
379.12445	2.8
397.13489	30.8
398.13943	2.2
415.14526	10.2
416.14694	0.8
417.22589	1.1
439.14471	1.4
605.24060	1.4
607.25958	0.8
623.25641	4.5
797.36493	1.1
815.37433	2.5
833.37994	4.5
834.39063	1.1
851.39203	6.5
852.39038	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.4844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	16.3
69.03341	2.0
71.01249	14.4
73.02806	2.4
75.65743	1.2
83.01220	1.8
84.40498	1.4
85.02809	3.3
87.00755	1.9
89.02312	10.4
97.02811	1.8
97.06448	6.2
99.00719	2.3
101.02316	10.8
113.02293	4.2
119.03370	1.4
125.02316	3.0
133.69128	1.2
151.11197	11.8
158.43649	1.5
169.12254	39.7
170.12610	1.5
210.64656	1.4
213.11240	5.4
255.23273	43.7
256.23566	4.3
358.93759	1.5
365.03741	1.4
397.13492	3.5
532.76672	1.3
587.50659	1.5
797.37476	1.5
849.48486	100.0
850.48712	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	850.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.6
61.98700	100.0
70.05122	0.2
71.01247	1.7
71.57288	0.4
73.02818	0.2
78.74050	0.2
78.95792	0.4
79.95602	0.5
80.96398	0.9
83.04890	0.3
87.00763	0.3
89.02326	0.4
92.92699	0.3
94.92400	0.4
94.98009	0.2
96.95874	1.6
96.96844	0.2
97.02870	0.3
101.02327	0.5
109.06516	0.4
113.02325	0.3
125.02320	0.4
133.06433	0.2
163.11182	0.3
171.10205	0.9
197.11829	0.3
201.11304	0.4
207.10294	0.6
209.11740	2.7
211.13394	0.6
225.11322	0.8
227.12877	0.5
232.14647	0.2
397.13535	0.7
437.78958	0.2
775.66791	0.2
807.81323	0.2
850.39838	0.3
851.40924	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	25.6
59.62634	1.1
61.98683	2.1
69.03323	2.6
71.01252	60.0
71.58598	1.9
72.99174	1.1
73.02818	7.8
76.92764	1.0
78.95770	1.9
80.02557	2.8
81.03339	4.8
83.01252	3.0
83.04909	7.2
84.02036	1.9
85.02808	8.0
87.00745	8.3
89.02319	18.2
95.01241	1.3
95.04916	2.7
96.95875	3.7
97.02837	5.4
99.00752	4.5
101.02325	17.6
109.06496	5.8
111.04396	1.6
113.02338	9.8
119.03380	3.3
123.04386	1.2
125.02327	11.3
125.05974	1.6
125.09628	4.0
127.11153	3.0
133.87483	1.1
135.04385	1.5
135.08063	2.0
143.03423	3.5
145.02888	1.5
155.10623	1.6
161.04492	3.4
161.09636	1.4
163.11200	10.9
165.12706	3.1
169.01248	2.0
171.10181	30.1
175.02455	1.3
175.03935	1.2
179.05524	6.5
181.12247	5.0
183.13821	2.7
185.11703	3.3
197.11760	4.8
199.09584	1.6
199.13298	1.5
201.11235	20.1
207.10234	18.5
209.11775	100.0
210.12093	5.2
211.13289	2.8
215.12772	2.3
221.06635	2.0
223.13284	1.3
225.11282	36.7
227.12836	17.3
235.08325	5.7
243.12341	4.2
251.12978	2.3
253.09290	2.1
313.81519	1.5
350.57904	1.1
379.12387	3.4
397.13504	31.6
398.13806	1.5
415.14630	9.4
417.22488	1.9
429.12567	1.3
591.77155	1.4
605.24469	2.0
607.25562	1.8
623.25861	3.5
640.53394	1.3
797.35504	2.8
815.37354	2.8
833.38116	5.7
851.39020	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	845.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	15.2
61.98714	7.3
69.03313	1.0
70.85774	1.4
70.86100	1.6
71.01253	15.6
72.99178	2.2
73.02813	1.5
75.00745	4.6
78.95758	2.8
83.04937	1.0
85.02835	4.8
87.00748	3.9
88.98673	2.3
89.02319	10.5
95.01245	1.7
95.04889	1.3
96.95874	1.0
97.02848	2.2
97.06465	15.3
101.02326	9.2
113.02318	4.8
119.03412	2.8
123.08058	8.7
125.02308	2.8
125.09615	99.2
126.09941	2.6
143.03398	1.4
143.10696	1.0
161.04425	1.8
163.39005	0.9
169.08585	2.8
171.10164	3.7
179.05521	1.4
187.09683	68.8
188.10097	2.5
195.13745	1.2
197.11606	1.2
207.10120	1.2
209.11754	3.2
211.13379	1.5
221.06612	5.0
227.12946	0.9
248.47969	1.1
253.09074	1.3
276.84036	1.1
277.21710	11.4
278.22031	1.0
291.19482	1.1
293.21149	2.1
295.22772	1.3
309.20575	1.8
311.22351	1.2
320.89841	1.0
326.47156	1.1
331.59280	1.1
397.13287	2.0
567.23004	2.6
585.23669	6.5
723.69385	1.2
827.46497	1.2
845.45294	100.0
846.45569	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	9.2
60.99173	7.2
61.98700	12.3
65.30067	2.3
65.59133	2.3
70.17417	2.1
71.01234	13.5
71.57059	3.2
72.64450	2.1
72.99172	23.1
75.00750	4.9
78.95784	6.5
79.66812	1.9
80.96394	5.5
83.04882	5.2
83.54545	2.1
85.02857	2.4
87.00757	3.8
88.98672	43.6
89.02306	11.7
90.99129	2.8
94.97993	2.4
96.95908	3.2
97.02811	2.5
101.02336	4.6
111.08012	2.5
113.02324	3.3
141.01634	4.0
151.11238	2.3
161.04382	2.5
163.11171	5.3
165.12700	3.7
171.10231	6.3
197.11754	19.9
198.11977	2.8
201.11285	2.6
209.11755	100.0
210.12086	7.9
211.13310	22.2
225.11305	2.5
227.12802	16.8
235.08162	6.2
253.09325	13.7
291.19678	14.5
293.20993	2.6
305.08859	2.3
309.20676	37.7
310.21069	4.4
325.20224	3.4
330.23157	2.4
353.10959	2.4
397.13354	5.3
541.83624	2.3
847.38843	14.2
848.40344	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	847.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33944	1.3
63.96091	2.2
69.83797	1.1
70.43170	4.6
71.01243	8.4
76.68513	1.1
78.98475	6.2
79.95604	17.1
80.96390	82.4
82.95901	1.2
85.02827	2.8
87.00747	2.4
94.97966	19.9
97.02840	1.8
99.04433	1.5
101.02302	1.5
106.97948	2.2
122.97459	2.8
125.02331	3.5
134.97444	7.5
136.99022	2.0
148.99057	5.8
152.98521	5.1
164.98547	13.8
195.47121	1.2
206.99614	2.7
225.00690	16.4
226.00983	1.3
255.23190	2.6
277.59488	1.3
291.61472	1.2
371.50562	1.6
591.24548	2.0
648.94666	1.3
847.48712	100.0
848.49127	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	15.0
63.54758	1.1
69.65277	1.8
69.65691	5.5
71.01249	18.4
72.99176	1.6
73.02818	2.9
83.01265	1.2
83.18192	1.0
85.02814	4.4
87.00750	3.3
89.02305	13.6
95.01226	1.7
95.78969	1.2
97.02816	3.1
98.20545	2.2
101.02315	14.3
113.02301	6.8
119.03369	3.7
125.02316	7.3
143.03397	2.9
161.04436	4.1
179.05562	4.3
179.29749	1.0
183.13849	7.6
204.62645	1.1
211.13321	100.0
212.13701	5.9
213.28345	1.0
217.07326	1.5
235.08235	5.4
255.23256	66.3
256.23639	4.7
259.08148	1.5
261.04102	1.1
287.07544	2.4
305.08810	1.7
323.09814	1.5
379.12460	10.4
381.00665	1.1
397.13474	40.9
415.14545	7.6
591.26392	2.9
609.27899	1.9
653.37708	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	849.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.0
67.01756	1.4
69.03329	4.9
71.01252	21.0
71.04884	2.0
71.13831	1.0
71.14162	1.8
72.99169	3.1
73.02821	1.9
75.00732	5.5
78.95769	1.4
80.02554	1.3
81.03319	3.1
83.01241	3.1
83.04894	6.3
85.02831	4.9
87.00755	6.7
89.02314	11.5
95.01281	1.4
95.04894	1.6
96.95886	1.3
97.02816	1.3
97.06473	1.6
97.31688	0.9
99.00744	1.9
100.26983	0.9
101.02316	12.8
111.04371	1.3
113.02326	5.8
115.00249	6.1
119.03366	2.6
119.04948	1.0
123.04446	1.0
123.07997	1.1
125.02361	6.5
125.05975	1.4
125.09591	3.2
127.69409	0.9
135.07896	0.9
137.02246	1.1
145.02831	1.2
146.04509	1.0
150.03110	1.1
151.03851	0.9
151.11082	2.2
153.12706	1.8
161.04474	2.5
161.09613	3.3
163.11218	4.7
165.05518	0.9
165.12730	3.0
169.01294	1.0
169.12161	1.1
171.10216	6.1
175.02391	10.0
176.02832	1.0
179.05519	1.4
179.10677	5.9
185.11731	1.0
191.10699	0.9
195.13812	1.0
197.11758	59.8
198.12170	1.6
207.10208	2.7
209.11752	67.6
210.12096	3.8
211.13374	1.4
221.06662	2.3
221.11774	1.2
223.09721	2.2
225.11246	2.8
227.12813	5.9
239.12717	1.5
241.10838	4.6
243.12405	1.3
244.75841	1.0
253.09325	1.8
268.38867	0.9
285.13324	1.3
306.07703	1.1
397.13440	3.8
406.81238	1.4
415.14526	1.2
621.23816	1.2
713.33575	1.2
731.34845	4.9
849.37537	100.0
850.37744	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	845.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	10.0
60.99169	3.7
61.98697	43.2
71.01257	7.4
72.99180	2.3
75.00751	8.8
75.34591	1.2
78.95039	1.3
78.95773	5.8
80.02557	1.4
81.03302	1.5
83.04896	6.9
87.00750	3.0
88.98672	12.8
89.02336	6.5
96.95908	3.2
97.02824	1.9
97.06488	3.0
98.20548	4.4
101.02337	4.3
101.96606	1.4
105.80080	1.3
109.06447	1.5
125.09590	2.4
135.08086	1.9
163.11186	5.9
165.12837	2.2
171.10156	5.7
185.11772	2.4
191.10701	2.0
191.14346	3.7
197.11914	1.9
207.10258	3.4
209.11761	100.0
210.12144	5.8
211.13318	4.9
224.13907	1.7
225.11296	3.3
227.12807	11.6
235.08252	2.9
243.79648	1.5
245.19035	4.2
253.09329	9.7
263.20569	1.8
289.18069	27.1
290.18323	2.3
291.19696	2.0
293.21280	3.9
307.19125	27.0
309.20700	2.1
350.80289	1.5
397.13480	3.1
426.80316	1.7
445.21021	2.6
485.42587	1.4
785.39972	2.1
845.50232	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	845.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	17.8
61.98698	9.4
66.50379	1.3
69.03294	1.7
71.01258	15.0
71.56401	1.8
71.56747	1.5
72.99176	2.1
73.02799	2.3
75.00753	2.0
78.45242	1.3
78.95768	4.7
83.01276	1.7
85.02815	2.2
87.00728	4.1
88.98685	6.7
89.02305	13.5
95.04918	1.7
96.95866	1.9
97.02825	2.0
97.06450	13.1
98.20354	1.3
99.00760	1.7
101.02331	11.0
104.52548	1.2
106.24090	1.3
113.02315	5.8
119.03352	2.9
123.08044	8.4
125.02302	2.9
125.09605	72.1
126.09946	3.3
143.03384	1.6
161.04482	2.0
171.10153	3.2
187.09665	40.6
188.10005	2.4
197.11658	2.5
197.51431	1.4
209.11687	5.9
211.13399	1.9
221.06618	1.3
235.08083	1.3
253.09134	1.5
277.21689	29.8
278.21945	2.0
291.19547	2.9
293.21097	2.6
295.22629	2.5
341.23370	1.6
397.13416	7.5
398.13681	1.3
561.68549	1.4
567.22504	2.7
585.23804	2.6
743.76392	1.5
845.45197	100.0
846.45746	20.2
863.32104	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	843.4742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	18.8
60.99175	7.6
61.98708	7.8
69.03320	3.7
69.31097	24.7
71.01261	13.1
75.00761	3.5
77.14188	2.8
78.95785	6.3
84.02059	2.9
84.95012	2.8
85.02837	2.9
87.00751	6.1
88.98673	51.3
89.02325	9.7
96.95884	9.7
97.06470	7.4
98.20586	4.2
101.02321	9.3
113.02298	3.3
130.15559	2.2
165.12793	2.9
167.10703	3.6
171.10191	19.7
177.12773	2.7
179.14212	3.8
193.12263	10.4
195.13841	7.9
205.12227	5.9
207.10295	3.3
209.11794	9.0
209.15535	2.4
211.13307	7.9
223.13330	100.0
224.13676	6.9
225.14926	16.7
235.08150	6.0
239.16267	2.6
243.16064	8.3
253.09251	21.6
291.19720	7.5
307.19250	2.9
309.20526	4.4
341.23254	98.0
342.23636	9.5
425.55417	2.6
459.22406	11.9
547.36487	7.0
577.31934	7.2
600.74597	2.7
783.45758	7.4
844.49805	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	845.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72439	7.1
71.01243	3.1
72.99181	22.1
73.55245	1.3
87.00729	3.2
96.95886	2.2
97.06475	1.6
103.00240	5.2
113.79668	1.3
119.04939	2.0
122.03563	1.2
123.04448	1.7
125.02295	2.8
146.03592	2.9
146.99242	2.1
163.03943	2.0
163.07533	4.2
169.01276	1.6
175.03928	2.2
175.07582	11.3
176.04631	4.3
179.10670	1.2
187.03825	1.9
187.07562	5.8
188.04733	3.0
189.05446	1.5
190.06262	2.1
199.18309	1.4
200.04716	3.1
201.05586	1.6
201.09073	2.8
203.07043	4.8
205.08563	8.7
215.06935	2.7
217.08556	4.6
219.10202	5.6
229.08636	14.6
233.08212	8.4
241.08589	1.4
247.09760	2.3
257.08084	1.6
259.09717	4.0
261.02292	1.4
273.07639	6.3
274.07809	1.7
275.09296	1.6
277.10718	8.2
287.08945	1.6
293.10052	1.6
308.08243	1.3
349.09265	4.1
367.10312	100.0
368.10785	6.0
477.10202	1.6
675.77185	1.4
802.93842	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	845.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	34.3
60.99160	4.5
61.98701	15.0
66.24699	1.5
66.25520	1.5
69.03350	1.9
71.01252	26.7
72.99183	5.5
73.02810	3.4
75.00732	3.7
78.95771	3.0
81.03336	1.9
83.01239	2.0
83.04890	1.6
85.02822	6.7
87.00762	10.2
88.98674	32.1
89.02319	21.8
93.03349	1.6
96.95867	4.8
97.02833	3.5
101.02318	15.1
104.78317	1.4
105.01794	1.6
113.02335	10.0
119.03397	2.8
125.01534	1.6
125.02313	7.8
131.03474	1.7
161.04498	3.1
171.10181	26.1
179.05528	6.7
185.65472	1.5
195.13853	2.7
207.10265	1.6
209.11765	12.7
211.13332	6.4
212.28494	1.6
221.06604	2.9
223.13280	2.1
235.08141	2.9
253.09192	2.3
270.25473	1.7
275.20172	1.9
287.07742	2.3
289.17944	3.0
293.21207	33.6
294.56931	1.4
315.27155	2.2
325.25253	3.2
341.24927	3.4
343.26385	4.3
351.23477	1.8
359.25952	3.2
361.27405	2.3
369.24356	5.6
379.12360	3.5
387.25342	11.5
397.13434	20.0
405.26410	21.4
415.14743	3.8
785.39594	100.0
786.39972	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	839.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00983	2.0
59.01241	9.9
60.65764	2.0
61.98697	11.8
71.01257	8.9
72.99203	2.2
78.95786	4.0
80.78576	2.0
80.91553	3.1
82.95276	16.5
83.02370	3.1
85.02824	2.7
87.00785	3.1
89.02327	6.2
96.95886	16.7
101.02332	8.2
113.02344	5.4
115.53454	2.2
115.97823	2.1
119.03368	3.1
125.02372	5.8
149.36427	1.8
171.10178	3.4
179.05504	2.6
183.13852	6.1
209.11780	9.8
211.13341	100.0
212.13666	4.2
223.13370	2.6
225.11322	3.7
227.12865	3.3
233.11555	3.8
235.08180	3.0
253.09471	2.8
309.20709	4.9
330.91708	2.2
379.12354	7.7
397.13495	24.0
398.13828	2.9
415.14429	4.8
591.26666	14.7
609.27240	15.5
610.28534	4.0
728.80792	2.7
803.40448	4.1
839.38605	30.4
840.39142	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	839.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.9
61.98701	11.8
71.01249	11.1
71.57157	5.3
77.31832	2.7
78.95789	4.9
83.04895	5.5
85.02860	3.2
89.02317	6.1
96.95896	12.0
97.06471	2.9
99.92502	3.0
101.02303	7.0
116.92729	12.7
116.97116	3.4
125.02338	5.6
153.09132	5.9
163.11192	6.0
165.12811	3.7
171.10199	11.9
197.11758	4.5
207.10362	3.7
209.11766	100.0
210.12093	6.8
211.13341	22.3
211.34363	3.3
214.69637	2.7
225.11301	4.4
227.12836	22.1
235.08206	3.9
253.09276	8.6
289.17838	4.9
307.19095	41.4
325.20175	20.4
344.74063	3.5
397.13495	6.4
445.20767	7.8
510.04788	3.3
543.28009	20.5
684.33679	3.9
735.39490	13.8
753.40784	25.0
771.41748	11.4
785.39655	4.8
839.41522	41.2
840.42761	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	839.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	10.9
61.98691	12.7
63.43590	3.3
71.01247	20.9
71.57545	4.0
72.32164	3.3
73.02834	3.4
78.99731	4.3
79.25852	3.4
80.96383	3.3
82.95280	13.9
89.02309	4.0
96.95893	30.7
98.95491	5.4
99.00764	9.8
101.02344	9.1
107.49876	4.0
109.06470	4.0
113.02303	4.2
121.02833	7.7
122.55293	3.7
125.09585	4.0
163.11194	7.5
171.10147	10.6
181.12254	13.1
197.11717	13.6
207.10208	20.5
209.11780	100.0
210.12009	6.1
211.13324	12.2
225.11292	30.1
227.12878	18.1
231.10069	5.2
233.11472	4.3
235.08162	10.8
243.12276	8.3
253.09346	21.3
289.17996	22.7
291.19559	11.8
293.21201	7.5
307.19144	19.9
309.20654	30.3
327.21695	6.4
341.23093	4.8
461.19934	9.8
658.95422	3.9
662.36377	4.8
753.40399	7.5
771.41919	16.4
839.42010	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	839.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.5
69.03310	0.9
70.02005	0.4
71.01250	6.6
71.05830	1.0
73.02834	0.9
83.01278	0.8
83.04890	0.8
85.02822	5.5
87.00750	1.4
89.02307	3.6
95.01260	0.5
95.04882	0.5
96.95890	2.3
97.02806	0.9
97.06461	2.9
101.02309	5.7
109.06480	0.4
111.07996	0.7
113.02319	3.0
113.09613	0.5
119.03373	1.3
125.02322	0.4
125.09587	1.3
127.11126	1.2
131.10071	0.4
137.09601	0.7
143.03423	0.6
145.04955	0.8
155.10666	0.9
161.04453	2.9
163.11226	0.4
165.12752	1.1
167.10678	0.5
167.14366	0.6
169.72388	0.4
171.10185	12.3
172.10512	0.6
174.13280	0.4
177.12759	0.8
179.05495	0.8
179.14308	1.1
181.12193	0.9
183.13837	3.9
185.11751	1.2
193.12305	1.0
195.13847	8.4
196.14554	0.6
197.11816	1.1
205.12315	0.5
205.15860	0.5
209.11755	1.5
211.13330	16.4
212.13710	1.0
221.11749	2.7
223.13303	5.6
227.12801	0.8
228.13559	0.7
229.14394	11.6
231.21037	1.0
235.08221	7.5
239.12729	1.8
253.09258	33.3
254.09570	1.3
256.13123	1.0
265.21918	0.5
275.20197	5.5
275.93179	0.4
291.19656	4.6
293.21225	100.0
294.21536	6.3
309.20715	7.3
310.20929	0.4
327.21756	74.8
328.22131	4.3
349.23822	0.3
492.22604	0.7
529.30103	2.4
530.30182	0.4
545.29626	1.2
563.30823	4.5
603.42664	3.7
606.08459	0.4
866.44757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00953	0.3
59.01250	4.8
59.94096	0.2
62.89777	0.2
69.03333	1.0
70.43311	0.6
70.43698	0.5
71.01248	4.3
73.02827	0.9
73.06467	0.2
81.03325	0.3
83.01234	0.4
83.04910	0.8
85.02831	0.8
87.00757	0.6
89.02316	2.9
93.07027	0.3
95.01254	0.5
95.04916	0.5
96.95902	0.6
97.02831	1.1
97.06452	0.8
101.02316	3.9
109.06487	0.6
111.08038	9.7
112.08371	0.6
113.02343	1.9
119.03413	1.0
121.10158	0.2
125.02366	0.4
125.09617	0.5
127.07544	1.1
137.09644	0.4
139.11232	0.3
141.09108	0.3
143.03413	0.6
145.04974	0.4
151.11162	1.1
153.09100	0.5
153.12721	1.2
155.10646	0.3
161.04509	1.9
163.11195	0.6
165.12769	1.2
167.10738	0.3
167.14288	0.3
169.12251	4.3
170.12582	0.2
170.81319	0.2
171.10245	1.1
177.12796	0.5
179.05563	0.8
179.10695	0.7
181.12282	1.9
183.13873	0.8
185.11768	0.2
193.12215	0.6
193.15913	0.3
197.11768	51.3
198.12086	2.2
199.13321	2.7
209.11708	0.6
211.13329	8.4
212.13713	0.5
227.12843	1.8
235.08226	2.1
247.20610	1.5
253.09254	19.6
254.09595	0.9
263.20157	3.6
264.20490	0.5
265.18015	0.9
273.18570	1.5
281.21170	0.3
289.17999	0.4
291.19647	28.8
292.19977	2.3
309.20688	100.0
310.21036	9.3
433.20508	0.8
527.28534	0.8
528.29535	0.4
545.29584	3.3
546.29706	0.6
601.40820	1.6
837.49780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	4.8
68.99407	0.6
69.03314	0.7
69.68210	0.6
71.01247	4.1
73.02805	1.0
83.01250	0.6
83.04878	1.1
85.02829	1.0
87.00755	0.7
89.02319	3.0
95.01286	0.6
96.95905	2.3
97.02788	0.5
97.06473	1.4
98.20646	1.2
98.26369	0.5
101.02314	3.9
109.06506	0.5
111.08045	6.6
113.02322	1.8
113.09608	0.9
119.03342	1.1
127.07525	0.9
139.11142	0.7
161.04434	1.8
165.12767	1.3
167.10776	0.6
167.14238	1.1
169.12221	3.1
171.10187	1.1
179.05463	1.0
181.12257	2.5
183.13847	1.2
193.12292	0.9
193.15883	0.8
195.13812	2.3
197.11752	33.4
198.12120	1.1
199.13309	1.8
209.11833	1.1
211.13361	7.1
221.15402	1.3
227.12779	1.6
229.14319	0.6
229.81335	0.8
235.08141	3.7
247.20544	3.1
253.09293	12.9
254.09595	0.5
255.05867	0.5
261.88803	0.5
263.20190	2.2
265.17999	1.0
273.18494	2.9
280.61990	0.5
281.21185	0.8
283.58942	0.5
289.17975	0.8
291.19647	35.1
292.20013	2.5
292.26740	0.5
293.21252	2.3
307.19077	1.4
308.19250	0.6
309.20685	100.0
310.21008	7.4
311.22238	1.3
325.20148	1.1
345.59027	0.5
433.20438	0.7
527.28571	1.9
545.29572	9.3
546.29785	1.2
696.42352	0.6
748.45392	0.6
768.43854	0.6
837.49707	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	839.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	15.1
61.98700	16.3
64.48641	2.6
64.71308	2.6
71.01246	10.3
73.02814	3.0
85.02784	3.3
89.02304	6.6
89.15989	2.6
91.19823	2.5
92.87596	2.9
96.95873	13.1
97.02843	2.9
98.19765	6.9
99.92456	3.3
101.02293	6.4
113.02312	7.0
113.92032	2.5
116.92740	55.5
116.97116	5.1
117.92752	3.1
125.02292	5.8
159.04396	3.3
171.10156	4.4
182.02071	4.7
183.13828	8.4
209.11742	11.4
211.13319	100.0
212.13695	5.8
225.11249	5.7
229.31279	3.0
235.08177	4.6
339.39865	3.0
379.12454	7.7
397.13477	21.1
415.14651	5.6
591.26416	22.3
609.27631	15.0
712.71851	3.4
785.39758	23.1
786.40442	6.8
803.41028	13.6
839.38605	28.3
840.38928	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	837.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.6
69.03330	1.2
71.01248	4.0
71.05615	0.3
71.05941	0.3
71.79049	0.2
72.99149	0.3
73.02239	0.2
73.02830	0.9
78.95755	0.3
81.03322	0.4
83.01261	0.7
83.04898	0.8
85.02812	1.4
87.00768	1.2
89.01799	0.4
89.02314	3.1
93.03281	0.2
93.06979	0.5
95.01258	0.5
96.95886	1.1
97.02834	1.9
97.06470	0.6
99.00745	0.3
101.02321	4.7
109.06489	0.9
111.00747	0.3
111.08041	12.4
112.89734	0.2
113.02329	2.3
119.03404	0.9
119.08574	0.4
121.06482	0.3
123.08074	0.3
125.05987	0.2
125.09612	0.8
126.50643	0.2
127.07507	0.7
127.11236	0.2
131.03383	0.2
137.09634	0.9
141.09074	0.4
143.03429	0.3
149.09674	0.3
151.11192	1.0
153.09109	0.4
153.12744	1.2
161.04460	2.3
163.11224	0.9
165.12743	2.1
167.10732	0.3
167.44366	0.2
169.12259	5.1
171.10162	2.0
175.11174	0.3
177.12738	0.2
179.05531	0.7
179.10635	0.6
179.14319	0.3
181.12303	1.4
182.68256	0.2
183.13814	0.9
185.11792	0.4
189.12872	0.2
193.12300	0.7
193.15892	0.3
197.11761	63.4
198.12115	3.1
199.13335	2.9
207.10280	0.2
209.11821	1.0
209.59868	0.2
211.13326	10.2
212.13721	0.6
221.11707	0.3
223.13292	0.8
225.11412	0.2
227.12840	2.7
235.08244	2.4
247.20616	2.1
253.09264	20.7
254.09650	0.6
263.20132	3.1
265.18036	1.5
273.18588	1.6
274.18903	0.3
290.18387	0.2
291.19662	33.8
292.20016	2.9
293.21167	0.5
309.20700	100.0
310.21054	10.2
325.20148	0.3
433.20633	0.9
527.28479	0.6
545.29822	2.9
546.29932	0.5
601.41296	1.7
722.31183	0.2
837.49945	0.5
839.45667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	0.2
61.98708	1.2
62.12955	0.1
71.01247	0.4
78.95770	3.9
79.95603	2.8
80.91532	0.2
80.96388	0.7
82.95296	0.2
89.02356	0.2
93.91292	0.2
94.92336	0.2
94.97963	0.4
96.95888	100.0
96.96774	4.6
97.95814	0.3
98.19749	0.4
101.02303	0.3
109.30283	0.2
171.10223	0.4
197.11748	0.5
198.14017	0.2
201.11421	0.2
209.11768	1.7
211.13448	0.3
217.37625	0.2
225.00783	0.2
227.12814	0.2
233.40788	0.2
233.57086	0.2
249.11028	0.2
253.09357	0.6
263.51569	0.2
265.07559	0.5
289.18280	0.4
291.04059	0.5
291.19717	1.1
293.21075	0.9
307.08713	0.2
307.19287	0.3
309.20697	1.6
327.21735	0.3
335.03082	0.2
351.06207	0.3
430.33389	0.2
483.15063	0.4
567.25592	0.2
808.31677	0.2
837.44031	0.6
861.13104	0.2
862.98291	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.4
61.98697	1.2
71.01250	0.7
71.56910	0.2
78.95772	3.9
79.95605	3.6
80.96394	1.1
82.95253	0.2
85.02812	0.2
87.00755	0.3
89.02317	0.3
94.97960	0.3
96.95886	100.0
96.96772	4.4
97.95813	0.3
101.02332	0.3
106.03669	0.2
113.02297	0.2
114.96948	0.2
118.96513	0.2
164.98538	0.2
171.10182	0.5
197.11745	0.5
209.11734	1.6
211.13336	0.6
223.13234	0.2
225.00624	0.2
225.11252	0.4
227.12816	0.2
235.08171	0.2
250.03583	0.2
253.09277	0.6
265.07532	0.7
289.18170	0.2
291.03976	0.5
291.19586	0.9
293.21176	1.0
307.08716	0.3
307.18988	0.2
309.20718	1.9
327.21991	0.2
335.02951	0.3
351.06134	0.5
362.95212	0.2
422.24399	0.2
461.20624	0.2
483.15457	0.4
837.42639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	12.2
66.78661	0.9
67.07378	1.0
69.03314	1.7
69.39848	0.8
71.01248	14.2
71.04877	1.2
72.99191	1.0
73.02836	2.6
78.95776	2.5
80.02540	0.9
83.01276	3.3
83.04899	2.0
85.02850	4.9
85.03282	0.9
87.00733	2.2
89.02326	6.3
90.58424	1.3
95.01228	1.1
95.04914	1.7
96.95883	39.4
97.02827	3.0
97.06471	5.7
98.19765	2.6
101.02337	7.7
107.04882	1.1
109.06488	1.5
111.08048	8.1
113.02341	5.8
119.03396	1.5
122.69897	1.0
123.04431	2.3
123.08011	1.2
124.24899	0.9
125.02331	1.6
125.09594	6.3
125.93060	1.0
132.67508	1.0
135.08083	1.5
137.09624	2.0
145.04984	1.2
149.09641	1.1
151.11208	1.2
152.99568	1.2
161.04430	4.3
163.11160	4.8
165.12764	3.9
167.10716	2.5
169.12248	3.1
171.10217	5.9
177.12750	1.6
179.05515	1.9
179.10732	2.3
179.14348	1.5
181.12288	3.9
184.62347	1.1
185.11736	7.2
191.10649	1.4
191.14322	5.2
195.13843	12.6
197.11775	22.5
198.12068	3.2
201.11218	8.8
207.10214	2.3
209.11765	18.1
210.12105	2.0
211.13405	7.5
223.13376	7.9
224.13599	1.4
225.11357	1.3
227.12805	6.1
228.13445	1.8
235.08197	3.1
237.11188	2.2
245.19124	10.2
247.20589	1.7
253.09229	26.0
254.09715	1.5
255.23351	1.8
256.13129	1.4
263.20123	5.6
264.20569	1.2
265.21777	5.1
271.17032	1.2
275.20154	8.7
277.21765	5.6
289.18082	42.3
290.18524	5.6
291.16318	1.2
291.19650	45.2
292.20010	4.7
293.21204	100.0
294.21585	9.0
307.19138	33.1
308.19449	6.5
309.20670	30.5
310.20996	7.5
311.21875	3.1
341.19644	1.5
397.13596	2.4
433.96927	1.1
445.20480	1.5
544.29901	1.3
837.50482	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	835.4845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	11.3
64.40503	0.6
69.03329	3.1
71.01250	16.3
71.04874	0.7
72.99183	1.1
73.02814	2.8
78.95779	0.7
79.95635	1.0
80.02573	0.8
80.96393	2.3
81.03346	1.4
83.01263	2.1
83.04896	2.9
85.02826	4.5
87.00761	2.3
89.02319	5.6
93.06945	1.0
94.97962	1.2
95.01266	1.2
95.04896	2.0
96.95882	9.4
97.02844	1.8
97.06458	10.5
98.20713	0.5
99.00751	0.7
101.02312	9.3
107.04949	1.2
109.02821	1.4
109.06493	2.8
111.00754	1.5
111.08031	20.2
113.02350	4.7
119.03374	2.1
123.04359	0.7
123.08067	0.8
125.02317	1.5
125.06004	0.7
125.09609	2.2
127.07552	1.7
127.11132	0.8
135.08060	1.1
137.09622	1.9
141.09059	1.0
142.68468	0.7
143.03383	0.9
145.04958	1.2
149.09619	1.1
151.11179	11.1
152.89810	0.7
153.09108	2.1
153.12732	3.5
155.10641	3.5
161.04428	3.2
161.09683	1.3
163.11183	2.9
165.12740	13.0
167.10701	2.1
169.12245	10.2
171.10216	1.2
177.09151	0.6
177.12779	2.4
179.05515	1.4
179.10745	5.4
181.12259	9.4
183.13823	4.8
184.62752	0.6
185.11761	0.9
191.10703	5.7
191.14319	2.9
192.11070	0.7
193.08961	0.8
193.12242	1.1
197.11755	100.0
198.12154	4.2
199.09680	1.1
199.13312	4.9
205.12334	2.0
207.13872	1.4
209.11761	35.0
210.12001	1.6
211.13313	15.1
214.45087	0.7
227.12802	17.3
229.64117	1.2
235.08154	9.5
239.09181	1.2
245.19058	11.9
247.17004	0.8
247.20631	1.1
249.14920	1.3
253.09247	28.5
255.23300	1.6
256.23679	0.9
261.18500	1.0
263.20111	22.1
264.20538	1.9
265.18011	2.1
271.17093	2.4
273.18600	1.7
277.21649	1.5
279.19620	2.5
289.18073	25.4
290.18472	1.5
291.19647	31.3
292.19983	2.0
293.21259	3.1
307.19113	72.8
308.19437	5.1
309.20685	97.2
310.20972	6.8
323.22324	4.0
397.13440	1.3
445.20801	12.1
446.20990	1.1
460.19678	0.8
492.41690	0.7
525.27020	2.6
527.28601	0.9
543.28052	13.3
543.35760	1.2
544.27869	1.5
545.29541	2.5
563.73535	0.7
599.40149	1.2
655.32916	0.9
723.37744	0.7
731.36755	1.3
737.41205	3.9
752.39063	1.2
835.48859	6.7
836.49084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00486	0.4
59.01249	5.9
61.98702	3.1
69.03351	1.0
69.45133	1.8
69.45546	0.8
71.01251	5.7
71.01591	0.5
71.04887	2.0
72.99194	0.6
73.02845	1.0
75.00760	0.5
75.73860	0.3
78.95812	0.5
80.02562	0.6
81.03353	1.0
82.95281	8.1
82.95737	0.5
83.01273	0.5
83.02394	0.7
83.04915	1.1
85.02814	1.6
87.00778	1.1
89.02303	3.3
93.06978	0.4
94.92395	0.5
95.01273	0.5
95.04929	1.2
96.95895	2.6
97.02826	0.6
97.06496	0.6
98.03616	0.6
101.02322	5.0
106.04136	0.5
109.02856	0.4
109.06469	8.0
111.04401	2.2
111.08038	8.0
113.02330	2.2
119.03382	0.8
121.06480	0.6
123.08098	1.0
125.02342	0.7
125.09571	0.5
127.07506	1.6
135.08070	1.0
135.11855	0.3
137.09648	1.0
143.03410	0.7
143.10657	0.7
145.05000	0.6
145.06531	1.4
147.08060	0.4
149.06041	0.3
149.09605	0.9
151.11201	1.2
153.09149	0.4
153.12738	0.8
158.37407	0.4
161.04448	1.6
163.11195	0.8
165.12840	0.4
167.10649	1.7
169.12306	3.2
171.10194	1.5
177.12779	0.7
179.05554	0.5
179.10710	1.5
179.14243	0.3
180.24362	0.3
181.12288	1.2
183.13861	0.7
185.11746	0.5
191.14267	0.5
193.12271	0.6
195.13834	2.2
197.11754	33.1
198.12003	1.7
199.13324	2.2
201.11183	0.4
207.10214	0.4
209.11754	1.8
211.13324	6.1
212.13721	0.4
223.13373	0.8
225.11281	0.4
227.12819	1.1
229.16008	0.4
233.15390	0.4
235.08160	3.6
235.13327	0.6
238.85155	0.3
245.19038	4.4
251.16423	0.5
253.09245	17.5
254.09627	0.6
261.18646	0.5
263.20129	3.1
265.18079	1.2
271.17065	1.2
273.15292	0.5
273.18665	0.9
287.16516	2.1
289.18082	100.0
290.18402	6.6
291.19644	14.0
292.19897	1.0
293.21136	2.4
305.17645	0.6
307.19131	6.4
308.19614	0.6
309.20688	49.9
310.21045	3.3
333.97000	0.3
357.70206	0.4
525.27014	3.2
543.28265	0.5
545.29309	0.8
581.38208	0.6
736.70886	0.4
817.46252	1.1
821.06006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4855
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00487	0.4
58.45335	0.3
59.01250	5.5
61.98699	8.4
66.95772	0.3
69.03324	1.0
71.01252	6.5
71.01648	0.3
71.04903	1.6
73.02828	1.4
78.95756	0.3
80.02569	0.6
80.79042	0.3
80.91568	0.6
80.96404	0.5
81.02926	0.3
81.03352	1.2
82.95286	9.7
82.95753	0.6
83.01283	1.1
83.02370	1.7
83.04893	1.4
84.00803	0.3
84.02019	0.4
85.02820	1.7
87.00772	0.8
89.02307	3.6
91.03880	0.4
95.01286	0.7
95.04908	1.3
96.95889	3.1
97.02830	3.3
97.06488	0.9
98.03603	0.6
99.00751	0.5
101.02330	5.5
106.04183	0.4
107.04916	0.5
109.06474	8.1
111.04401	2.4
111.08036	6.3
113.02344	2.4
119.03403	1.1
120.90843	0.3
121.02968	0.3
121.10159	0.3
123.04411	0.5
123.08045	1.4
125.02332	0.5
125.09621	1.4
127.07549	1.1
135.08043	1.2
137.09642	1.2
141.09119	0.4
143.03381	0.6
143.10666	0.8
145.05049	0.3
145.06487	1.6
147.08162	0.4
149.09631	1.4
151.11177	0.7
161.04478	2.0
161.09625	0.5
163.11182	1.8
165.12755	2.5
167.10678	1.4
169.12215	2.4
171.10181	3.6
177.09160	0.5
177.12779	0.7
179.05496	0.8
179.10683	1.2
179.14444	0.4
181.12280	1.4
183.13846	1.0
185.11804	0.5
191.14444	0.4
193.12279	0.7
195.13858	2.3
197.11761	27.6
198.12117	1.2
199.13370	2.1
207.10187	0.6
209.11768	2.5
211.13345	6.6
215.14473	0.3
217.15919	0.4
223.13379	1.1
225.11282	0.5
227.12776	2.5
233.15443	0.5
235.08173	3.4
235.13354	0.9
245.11369	0.4
245.19109	4.0
247.16985	0.4
247.20595	1.6
249.14857	0.4
251.16515	0.6
253.09258	17.1
254.09700	1.0
257.31052	0.3
261.18472	0.4
263.20163	1.4
265.18073	1.0
271.17065	1.5
273.14902	0.5
273.18542	1.0
287.16476	1.7
289.18079	100.0
290.18454	7.7
291.19656	25.4
292.20007	2.0
293.21170	2.3
305.17578	0.8
307.19174	6.1
308.19345	0.3
309.20691	61.9
310.21002	4.4
311.01941	0.3
397.13269	0.4
525.27063	2.9
543.28265	0.4
545.29645	1.5
581.38312	0.4
616.73816	0.3
649.66571	0.4
745.75690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.485
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00461	1.0
59.01250	12.8
61.98698	2.0
69.03331	2.1
71.01248	11.4
72.99209	0.9
73.02821	2.5
75.00728	0.7
79.95570	0.6
80.02558	1.4
80.96410	0.6
81.03330	2.7
83.01260	2.8
83.04871	2.7
85.02813	3.4
87.00751	3.1
89.02310	8.1
91.03893	0.5
93.03368	0.8
95.01251	1.1
95.04898	2.0
96.95891	2.2
97.02818	2.4
97.06463	5.0
99.00751	1.0
101.02326	8.8
106.04115	0.6
109.02922	0.6
109.06472	1.5
110.00249	0.4
111.00765	0.5
111.04395	0.6
111.08041	16.4
113.02335	4.9
119.03407	1.7
119.08492	0.7
121.06509	1.2
123.04396	4.1
123.08047	1.7
125.02342	1.0
125.05991	0.8
125.09614	5.2
127.07545	2.3
129.01831	0.6
135.08034	1.0
137.05977	0.7
137.09590	4.0
139.11221	0.6
141.12755	0.8
141.41301	0.4
142.02585	0.6
143.03381	1.1
145.05006	1.0
149.05940	0.6
149.09593	1.2
151.11163	2.8
153.09155	0.8
153.12759	1.9
155.10710	0.6
161.04482	4.7
163.07588	0.7
163.11180	6.8
165.09123	0.8
165.12743	4.4
166.09996	0.7
167.10736	1.9
169.12256	7.2
171.10135	1.3
175.11279	0.7
177.12752	1.1
179.05545	1.0
179.10667	1.8
181.12270	4.2
181.83569	0.4
183.13828	1.8
185.11760	7.0
189.12866	0.5
190.13397	0.5
191.10709	1.8
191.14311	8.4
192.14688	0.6
193.12257	1.0
195.13890	0.9
197.11761	82.0
198.12093	4.3
199.13326	5.0
201.39012	0.5
205.12189	0.8
207.10205	4.5
209.11760	23.6
210.12143	1.5
211.13335	12.6
212.13660	0.7
217.15952	1.3
221.11900	0.9
222.15193	0.5
225.11273	2.6
227.12854	4.1
229.19463	0.7
229.42468	0.7
235.08171	6.8
237.11278	6.4
243.17468	1.0
245.19080	17.3
246.19429	1.2
247.20592	1.2
253.09254	35.0
254.09601	1.6
261.18600	0.5
263.20120	12.6
264.20438	1.1
265.18167	2.3
271.17062	3.1
273.18607	1.7
274.18710	0.5
279.19693	0.6
281.21259	1.1
289.18085	88.0
290.18433	7.5
291.19653	30.6
292.19882	2.8
293.21216	0.9
305.17697	0.7
307.19141	88.4
308.19501	7.0
309.20688	100.0
310.21069	7.5
325.20169	0.8
378.37296	0.5
397.18533	0.5
433.20560	0.6
445.20776	2.5
525.26917	1.5
527.28802	0.8
543.28094	3.4
545.29913	1.0
599.39795	0.7
737.41040	0.8
835.47247	2.1
836.48999	0.9
844.73499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	1.4
58.44772	0.7
59.01248	16.4
59.20017	0.8
61.98706	1.5
67.01744	0.8
68.99711	1.1
69.03328	2.7
70.13763	3.7
71.01250	23.3
71.04855	0.9
72.30817	0.8
72.99179	3.8
73.02817	3.3
75.00745	10.4
78.95788	2.4
80.02527	1.0
80.96381	2.1
81.03345	1.2
83.01266	3.4
83.04904	2.7
85.02824	13.5
87.00747	6.1
89.02312	7.3
95.01263	3.2
95.04899	2.5
96.95899	8.8
97.02826	2.8
97.06445	8.2
99.00746	6.2
101.02314	10.8
107.04930	1.1
109.02828	1.2
109.06467	2.5
111.00842	1.4
111.04415	1.0
111.08042	12.4
111.52425	0.9
113.02331	14.5
113.09625	0.9
113.84343	0.9
115.00266	1.2
119.03399	2.2
121.06474	1.1
123.04428	2.3
123.08051	1.7
125.05956	1.3
125.09614	5.1
127.07555	1.4
127.11237	1.0
128.90524	0.9
129.01773	1.0
135.08052	1.3
137.05891	1.0
137.09619	2.9
139.00226	1.0
139.11194	0.9
140.31888	0.8
143.03354	1.0
149.09639	1.3
151.11218	5.1
153.09154	1.3
153.12784	1.4
155.10658	1.9
157.01328	1.7
161.03348	0.9
161.04460	4.4
161.09634	1.5
163.11185	5.3
165.12769	9.9
167.10715	2.0
169.12259	4.8
171.10176	3.6
175.02464	1.3
175.19208	0.9
176.50517	0.8
177.12781	1.4
179.10677	3.6
181.12279	9.4
183.13846	2.3
185.11792	5.3
191.10725	4.9
191.14360	4.0
193.03517	0.9
193.12292	1.2
195.13818	4.4
197.11761	47.8
198.12164	2.2
199.09702	1.0
199.13396	2.1
207.10228	3.1
209.11761	27.8
210.12123	1.3
211.13333	14.0
221.11694	0.9
221.15335	1.7
223.13312	2.8
225.11307	2.2
227.12798	10.3
235.08163	7.8
237.11266	1.3
245.19067	12.0
246.19444	1.1
247.20709	2.0
253.09254	22.1
254.09525	1.0
255.23245	1.4
261.18658	1.3
263.20093	16.7
264.20288	1.2
265.18030	1.4
271.17007	1.7
273.18524	2.0
279.19647	1.4
281.21439	1.2
289.18091	43.1
290.18503	2.5
291.19669	40.5
292.19971	2.6
293.21268	8.1
305.17828	0.9
307.19141	64.5
308.19443	6.1
309.20700	100.0
310.21036	7.3
315.19745	1.5
355.73236	1.0
397.13544	1.3
401.97772	1.0
445.20804	7.6
460.19476	0.9
501.32571	2.4
525.26794	2.1
527.28741	1.3
543.27820	7.9
545.29480	3.9
559.27405	1.5
591.63214	1.0
599.39331	2.8
600.40289	1.1
719.40375	2.5
737.41321	3.9
817.47174	2.3
835.48633	39.8
836.49042	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	835.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	1.2
59.01246	15.6
61.98698	1.6
65.54068	0.5
67.01765	0.7
68.98269	0.6
69.03324	3.3
69.99660	1.4
70.00052	1.5
70.40051	0.5
71.01250	14.0
72.99194	0.9
73.02811	2.9
75.00763	0.7
78.95762	1.2
80.02531	1.1
81.03331	3.0
81.39314	0.6
83.01258	2.4
83.04905	3.5
84.02034	0.7
85.02816	4.6
87.00733	3.0
89.01801	1.1
89.02305	9.5
93.03336	1.1
93.06972	0.7
95.01260	2.0
95.04900	2.2
96.95886	1.7
97.02838	4.0
97.06455	7.0
99.00742	0.9
101.02321	11.0
103.09107	0.6
106.04128	0.8
107.04898	1.0
109.06484	2.2
111.00754	2.8
111.04415	1.1
111.08028	19.3
111.08790	1.2
113.02329	5.2
119.03410	1.4
119.08559	1.3
121.06487	1.8
123.04398	3.5
123.08051	1.2
123.96698	0.5
124.94220	0.7
125.02367	1.1
125.05952	0.8
125.09608	8.3
127.07557	1.8
135.08057	2.2
136.05182	0.8
137.09587	4.2
141.09067	0.8
142.02589	0.7
143.03430	1.0
145.04953	1.2
149.05971	0.9
150.10391	1.0
151.07507	0.8
151.11188	1.8
153.09149	0.8
153.12772	2.0
157.04869	0.6
161.04465	4.4
161.09642	1.2
161.93689	0.7
163.07552	1.1
163.11182	8.8
165.12767	2.7
167.10670	1.8
169.12248	7.2
171.10153	2.1
175.11182	0.8
177.12810	1.1
179.05513	1.8
179.10669	1.6
181.12289	3.4
183.13835	0.7
185.11766	9.3
191.01900	1.6
191.10719	1.0
191.14320	11.4
192.95804	0.8
193.01260	1.3
193.12268	1.8
197.11751	99.2
198.12053	3.7
199.13306	5.0
207.10162	4.9
209.11752	24.2
210.12086	1.4
211.13327	17.0
212.13625	0.8
214.35680	0.6
217.15936	1.9
221.11752	0.8
223.13332	1.2
225.11316	3.7
227.12836	4.6
227.17897	0.8
235.08232	7.1
237.11292	7.7
243.17580	1.1
245.19048	20.2
246.19385	1.0
247.20639	1.4
249.14832	1.3
253.09241	37.9
254.09567	1.3
257.96558	0.6
263.20157	9.8
264.20468	0.7
265.18103	2.4
271.17004	2.6
273.18542	2.2
277.21808	0.7
281.21213	0.8
287.16348	1.0
289.18079	100.0
290.18469	7.0
291.19650	38.3
292.20007	2.7
293.21182	1.7
305.17636	1.1
307.19128	96.1
308.19464	7.0
309.20691	99.1
310.21066	6.0
325.20361	0.6
433.20923	1.3
445.20667	0.9
525.27020	1.4
527.28839	1.1
543.28162	3.9
545.29645	1.3
599.40033	1.3
835.48883	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	835.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	0.5
59.01252	9.9
66.43293	0.1
68.33640	0.1
69.03326	0.7
69.57423	0.8
71.01254	8.4
71.04884	0.3
72.81239	0.1
72.99175	0.9
73.02814	1.5
75.00761	0.2
78.22276	0.1
80.02544	1.3
81.03330	1.9
83.01248	1.1
83.04894	5.7
84.02039	1.1
85.02821	2.3
87.00754	2.1
89.02317	7.1
93.03307	0.3
95.01276	0.7
95.04899	0.8
96.95864	0.2
97.02827	1.5
97.06469	0.2
98.19788	0.3
99.00739	0.5
101.02324	5.9
101.02994	0.3
103.03918	0.2
107.04921	0.2
108.02052	0.2
109.02837	0.2
109.06484	0.3
111.00776	0.1
111.04430	0.3
111.07988	0.2
113.02335	3.6
115.72384	0.1
119.03387	1.9
121.02869	0.2
125.02327	2.8
125.05975	0.7
125.09586	0.4
131.03374	0.3
133.04968	0.2
135.08023	0.6
141.01822	0.3
143.03392	1.3
145.04930	0.2
147.11684	0.2
149.04501	0.1
161.04465	1.6
163.11194	5.1
164.11472	0.2
165.12759	2.7
167.03337	0.2
171.10207	0.9
179.05531	2.2
181.12251	0.7
185.04396	0.2
185.11688	0.2
188.84407	0.1
191.10698	1.2
199.06119	0.1
199.13353	0.9
209.11766	100.0
210.12111	4.6
211.13371	0.2
217.07103	0.3
221.06601	0.8
221.11826	0.2
223.13348	0.3
225.11240	0.2
227.12836	16.7
228.13190	0.9
229.14282	0.2
229.49490	0.1
235.08182	2.8
236.93050	0.1
245.06662	0.2
247.13329	0.9
249.14876	0.2
251.12849	0.4
253.09210	0.4
263.07803	0.2
265.14420	0.4
287.07718	0.7
305.08896	0.8
323.09738	0.5
379.12399	2.3
395.26450	0.1
397.13480	19.2
398.13870	1.2
400.55667	0.1
401.23212	0.3
415.14551	5.9
416.14871	0.3
419.24106	0.2
437.25302	0.2
577.64050	0.2
589.25146	0.3
607.26129	0.9
625.26697	0.2
799.37506	0.5
817.38556	0.4
835.39355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	0.3
59.01249	10.2
69.03326	0.7
71.01250	8.8
71.06026	0.4
71.06350	0.2
72.99165	0.5
73.02815	1.2
80.02542	1.3
81.03329	1.7
83.01255	0.9
83.04893	5.6
84.02037	0.9
85.02821	2.0
87.00763	1.5
89.02312	7.6
93.03326	0.3
95.01257	0.4
95.04907	0.7
97.02814	1.6
97.06503	0.2
99.00756	0.5
101.01686	0.4
101.02319	5.9
101.28792	0.2
107.04844	0.2
109.06518	0.2
111.04424	0.3
113.02319	3.3
114.61214	0.2
119.03369	2.0
123.04382	0.2
125.02320	2.6
125.05961	0.6
125.09572	0.5
131.03377	0.3
133.04951	0.3
135.08060	0.7
139.03944	0.3
143.03395	1.2
147.11729	0.3
161.04468	1.5
163.11183	3.6
164.11433	0.2
165.12738	2.7
171.10173	0.7
179.05521	2.4
181.12270	0.7
191.10727	1.0
199.05940	0.4
199.13362	0.3
209.11765	100.0
210.12108	5.2
217.07063	0.4
221.06660	0.7
221.11720	0.3
223.13499	0.2
227.12833	16.0
228.13109	0.9
235.08171	2.7
247.13339	0.8
251.12776	0.5
253.09351	0.5
265.14328	0.4
287.07721	0.8
304.45071	0.2
305.08932	0.9
323.09677	0.6
379.12375	2.8
397.13483	19.9
398.13889	1.9
401.23267	0.2
415.14529	5.8
416.15082	0.6
419.24478	0.3
589.24951	0.3
607.26074	0.9
773.35309	0.3
799.37396	0.8
835.38556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00464	2.4
59.00945	1.7
59.01247	30.7
60.82662	0.9
61.98690	5.6
65.78062	0.9
68.46133	1.0
69.03339	1.7
69.52100	2.3
69.52510	4.7
71.01250	58.6
72.01579	1.0
72.99174	2.8
73.02826	4.6
76.33070	1.1
78.51823	0.9
79.26753	1.0
81.03344	2.1
81.47424	1.0
83.01253	2.9
83.04892	2.4
85.02816	6.7
87.00751	5.6
89.02310	15.2
95.01261	2.6
96.95872	3.6
97.02825	4.4
97.06496	0.9
99.00761	2.2
99.04358	0.9
99.31884	0.9
101.02312	17.4
109.06492	1.9
111.04387	1.2
111.08046	1.3
113.02330	9.1
119.03386	4.9
125.02322	5.3
125.09529	1.1
141.01761	1.2
143.03380	1.9
158.02266	1.0
161.04405	1.8
163.11172	2.9
165.12741	13.5
171.10118	6.1
179.05540	3.6
181.12305	1.8
183.13821	100.0
184.14091	4.6
185.11716	2.4
197.11787	1.4
199.13342	4.4
200.51982	1.1
201.01625	0.9
201.11232	3.3
201.16539	1.0
207.10176	4.9
209.09860	1.9
209.11746	20.9
210.12083	2.0
211.13336	17.9
212.13672	1.3
221.06554	3.2
223.13345	1.5
225.11292	6.5
226.11641	1.1
227.12805	13.8
235.08195	2.9
243.12247	1.0
252.07141	1.0
253.09235	1.0
379.12531	1.3
397.13422	12.0
415.14395	2.7
445.71439	1.1
607.25739	1.2
623.26758	1.2
625.27148	2.8
627.70685	1.1
791.40613	4.8
799.37244	2.0
817.37939	5.3
835.39612	86.0
836.40051	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	835.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	2.5
59.01251	30.0
60.37084	1.3
61.98701	70.2
62.98391	1.3
65.05255	1.1
69.03323	2.6
71.01253	100.0
72.01599	2.0
72.99175	4.5
73.02812	5.7
75.00763	1.7
78.91752	4.4
78.95781	2.3
79.95598	3.3
80.02539	1.5
80.96378	4.3
81.03336	4.8
83.01282	2.8
83.04896	5.5
85.02810	7.8
87.00744	6.8
89.02316	20.9
93.03320	1.4
95.01254	2.3
95.04882	2.2
96.95901	5.7
97.02823	7.6
99.00761	4.6
101.02328	21.1
109.06468	7.6
111.00735	1.4
113.02344	10.3
116.92715	1.5
119.03395	4.8
121.02803	1.9
125.02315	7.1
125.09600	3.1
127.11156	1.9
131.03348	1.6
131.72142	1.0
135.08029	1.2
139.03888	1.0
141.01793	2.4
142.02594	1.6
143.03342	3.0
149.14850	1.1
155.10664	1.9
161.04474	2.9
161.09586	1.7
163.11177	7.5
165.12810	2.8
167.74594	1.1
171.10188	13.8
179.05528	4.9
181.12265	5.9
183.13857	8.7
185.11746	2.4
193.12221	1.7
197.11719	2.8
199.13342	14.8
201.11264	10.7
207.10194	25.9
208.10445	1.9
209.11766	61.5
210.12154	3.2
211.13335	63.5
212.13669	3.6
215.12816	1.3
216.89058	1.1
221.06538	2.3
225.00589	1.5
225.11270	21.6
227.12825	40.1
228.13081	2.7
229.14491	1.6
235.08205	5.0
235.13315	1.4
243.12354	3.0
247.09531	2.5
247.13409	2.0
253.09216	2.4
253.14424	1.7
263.07611	1.4
265.14401	1.3
289.18051	1.4
307.18991	1.2
379.12448	3.7
397.13464	28.7
398.13828	2.7
401.23288	3.9
415.14487	12.0
419.24442	4.4
437.25198	1.3
517.14038	1.4
607.25482	1.9
609.27234	1.3
623.25232	3.3
625.27069	3.2
799.37518	4.6
817.38702	13.1
818.38397	2.7
819.40118	1.5
835.39526	18.2
836.39874	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	835.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	2.5
59.01251	30.0
60.37084	1.3
61.98701	70.2
62.98391	1.3
65.05255	1.1
69.03323	2.6
71.01253	100.0
72.01599	2.0
72.99175	4.5
73.02812	5.7
75.00763	1.7
78.91752	4.4
78.95781	2.3
79.95598	3.3
80.02539	1.5
80.96378	4.3
81.03336	4.8
83.01282	2.8
83.04896	5.5
85.02810	7.8
87.00744	6.8
89.02316	20.9
93.03320	1.4
95.01254	2.3
95.04882	2.2
96.95901	5.7
97.02823	7.6
99.00761	4.6
101.02328	21.1
109.06468	7.6
111.00735	1.4
113.02344	10.3
116.92715	1.5
119.03395	4.8
121.02803	1.9
125.02315	7.1
125.09600	3.1
127.11156	1.9
131.03348	1.6
131.72142	1.0
135.08029	1.2
139.03888	1.0
141.01793	2.4
142.02594	1.6
143.03342	3.0
149.14850	1.1
155.10664	1.9
161.04474	2.9
161.09586	1.7
163.11177	7.5
165.12810	2.8
167.74594	1.1
171.10188	13.8
179.05528	4.9
181.12265	5.9
183.13857	8.7
185.11746	2.4
193.12221	1.7
197.11719	2.8
199.13342	14.8
201.11264	10.7
207.10194	25.9
208.10445	1.9
209.11766	61.5
210.12154	3.2
211.13335	63.5
212.13669	3.6
215.12816	1.3
216.89058	1.1
221.06538	2.3
225.00589	1.5
225.11270	21.6
227.12825	40.1
228.13081	2.7
229.14491	1.6
235.08205	5.0
235.13315	1.4
243.12354	3.0
247.09531	2.5
247.13409	2.0
253.09216	2.4
253.14424	1.7
263.07611	1.4
265.14401	1.3
289.18051	1.4
307.18991	1.2
379.12448	3.7
397.13464	28.7
398.13828	2.7
401.23288	3.9
415.14487	12.0
419.24442	4.4
437.25198	1.3
517.14038	1.4
607.25482	1.9
609.27234	1.3
623.25232	3.3
625.27069	3.2
799.37518	4.6
817.38702	13.1
818.38397	2.7
819.40118	1.5
835.39526	18.2
836.39874	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	834.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.9
61.98699	100.0
62.98409	0.2
70.13995	0.7
71.01249	0.9
78.91744	0.3
78.95771	0.7
80.78159	0.2
80.91550	0.3
80.96397	0.3
85.02840	0.2
87.00735	0.2
89.02303	0.3
96.95874	1.2
101.02332	0.3
109.06522	0.2
113.02335	0.2
125.02375	0.2
125.09622	0.2
152.99486	0.2
171.10162	0.4
197.11758	0.4
201.00555	0.2
207.10269	0.3
209.11746	0.9
210.12151	0.2
211.13326	0.7
212.13622	0.2
225.00667	0.2
232.12749	0.1
232.49821	0.2
235.08159	0.2
245.19043	0.2
253.09332	0.3
289.18097	1.4
290.18484	0.7
291.19717	0.4
293.21121	0.3
307.19189	0.4
309.20709	0.6
377.88602	0.1
398.13385	0.1
428.56021	0.2
438.85257	0.2
454.39359	0.2
834.51001	0.3
835.40833	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.4
61.98700	100.0
62.98410	0.2
67.14175	0.2
67.22391	0.1
71.01250	0.5
78.95780	0.3
80.91556	0.2
80.96389	0.3
82.95277	0.4
85.02837	0.2
89.02316	0.3
96.95890	1.2
97.06467	0.1
101.02338	0.4
109.89868	0.1
111.08040	0.3
113.02304	0.2
121.02837	0.2
125.02331	0.2
146.67973	0.1
171.10123	0.3
183.13828	0.2
197.11823	0.5
198.12029	0.2
199.82495	0.2
209.11778	0.4
211.13309	2.1
212.13681	1.0
213.13908	0.3
223.13329	0.3
225.11333	0.2
225.88275	0.1
249.11169	0.4
253.09180	0.3
270.75479	0.2
289.18234	0.6
291.19693	0.4
293.20953	0.2
295.23114	0.2
307.19263	0.3
309.20584	0.9
310.20987	0.5
311.22180	0.2
340.82971	0.2
343.24677	0.2
449.79019	0.2
459.00772	0.2
459.07758	0.2
570.78009	0.2
576.92963	0.2
834.52905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	2.7
63.90904	0.6
69.33321	4.2
69.33746	3.1
78.95772	62.7
79.95608	1.2
80.96385	2.1
86.20735	0.7
91.53685	0.7
96.96831	14.1
134.98399	1.5
152.99487	19.2
174.99089	1.0
192.95801	3.7
217.00243	2.9
223.00052	6.4
225.00685	1.2
232.94971	0.8
241.01141	33.3
242.01605	0.8
255.23256	59.6
256.23596	3.5
259.02194	2.6
277.21707	35.7
278.21957	2.6
297.03622	2.1
315.04767	1.2
350.94644	1.8
391.22592	8.9
392.22791	1.0
548.12225	0.8
553.27856	7.8
571.28894	1.2
575.26337	1.8
649.61755	0.8
671.89575	0.8
831.50165	100.0
832.50586	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	833.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71101	0.7
69.39422	0.7
69.60164	4.1
72.99178	14.9
87.00741	1.6
100.98665	0.9
103.00252	4.3
121.02785	0.7
146.03654	2.0
146.99245	1.8
147.04402	1.0
148.05176	1.3
149.02228	0.8
163.07507	3.8
172.05176	1.0
173.06012	1.3
174.03104	1.1
175.03914	1.1
175.07547	6.2
176.04683	2.6
187.03972	1.3
187.07559	4.5
188.04724	2.0
190.06215	1.2
200.04691	2.4
201.09187	1.0
203.07080	3.4
204.04250	0.8
205.08667	5.1
215.07074	1.8
217.08614	2.0
219.10210	3.5
229.08681	8.9
233.08089	5.8
247.09712	1.2
259.09720	2.2
261.11304	1.1
273.07709	4.2
275.09042	1.3
277.10757	5.9
331.08084	1.2
336.02536	0.8
337.86993	0.7
349.09058	3.6
357.92511	0.7
367.10284	100.0
368.10669	5.3
515.07825	0.9
770.91602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.4693
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	0.4
59.01243	5.8
61.98701	3.0
69.03318	0.6
69.43484	0.3
69.43794	2.7
71.01254	5.7
71.04894	2.0
72.99171	0.4
73.02800	1.1
75.00742	0.7
78.95783	0.7
79.63972	0.3
80.02539	0.7
81.03316	1.6
82.95282	2.4
83.01245	1.6
83.04896	1.2
83.83138	0.3
85.02827	1.3
87.00755	0.9
89.02320	3.0
93.03300	0.4
95.01281	0.6
95.04878	1.7
96.95874	0.5
97.02822	1.2
97.06460	2.6
98.03606	0.4
98.19669	0.3
99.00742	0.5
101.02321	3.7
105.11378	0.3
106.04134	0.9
107.04916	0.5
109.02859	0.3
109.05720	0.4
109.06464	7.1
110.03609	0.3
110.06734	0.3
111.04417	2.2
111.08040	1.0
113.02328	2.4
115.28609	0.4
117.06882	0.3
119.03438	0.6
120.05688	0.4
121.06472	0.9
121.75980	0.3
123.04405	1.6
123.08031	2.2
125.02299	0.5
125.09607	2.7
127.07544	1.1
135.08047	1.1
137.06038	0.4
137.09619	1.6
141.12788	0.4
143.03355	0.5
143.10652	0.8
145.04956	0.3
145.06494	1.2
149.06055	0.4
149.09599	1.2
151.11163	0.9
161.04469	1.1
163.11188	3.6
165.09085	0.5
165.12735	0.4
167.10654	1.7
171.10182	0.9
173.09567	0.5
177.12741	1.0
179.10692	0.9
181.12234	1.2
185.11754	4.3
189.12721	0.5
191.14349	3.3
193.12257	0.4
195.13829	2.3
197.11760	0.5
207.10252	1.9
207.13931	0.4
208.10698	0.3
209.11775	8.0
211.13229	1.5
215.14388	0.5
217.15967	0.7
219.13820	0.4
223.13397	0.4
225.11264	1.1
227.12872	0.4
235.08168	2.2
235.13399	0.7
236.08499	0.3
237.11255	1.5
237.14932	1.5
243.17596	0.8
245.19066	9.3
246.19446	0.9
249.14903	0.5
253.09259	9.1
254.09474	0.4
261.18546	0.4
263.20126	1.7
271.17035	2.0
275.23218	0.3
279.23474	0.3
287.16574	2.8
289.18073	100.0
290.18414	7.6
291.19611	1.4
305.17548	2.8
307.19131	27.6
308.19446	2.7
309.20706	1.6
313.18076	0.4
331.19296	0.4
347.22226	0.5
359.22318	0.4
400.77481	0.3
481.29443	0.8
499.30725	1.0
517.31586	0.5
525.26917	1.7
543.28436	0.4
579.37006	0.6
597.37848	1.2
681.65826	0.3
717.38855	0.8
735.40131	1.0
815.45959	1.0
816.46436	0.5
833.47784	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	831.4744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.8
61.98701	20.7
62.12909	0.4
69.03333	1.0
71.01246	3.7
72.95901	0.5
72.99196	1.1
73.02801	1.1
75.00746	1.2
78.91774	0.8
78.95774	1.3
79.80204	0.4
79.95592	0.6
80.96397	1.3
83.47026	0.5
85.02803	0.8
85.43436	0.4
87.00740	1.3
88.98673	0.9
89.02306	2.2
96.95890	0.7
97.02824	1.3
97.06461	0.7
101.02325	4.2
104.61076	0.4
109.06476	0.6
111.08044	5.2
113.02326	1.7
115.31989	0.4
119.03377	1.0
121.06396	0.5
125.02285	0.6
137.09618	0.7
143.03391	0.8
161.04466	1.4
163.11292	0.7
165.12749	1.7
167.14320	0.5
169.12222	2.4
171.10172	2.1
177.12476	0.4
179.05482	0.8
181.12227	0.6
183.13838	5.9
193.12236	1.8
195.13835	0.6
197.11754	21.8
198.12056	1.1
199.13370	1.5
207.10239	0.8
209.11795	2.7
211.13330	100.0
212.13661	4.8
223.05954	0.4
223.13370	0.8
227.12659	1.1
235.08156	4.4
247.20744	1.2
253.09230	12.2
254.09454	0.8
263.20190	1.3
271.13440	0.6
277.21710	1.3
287.16608	0.9
289.17999	0.7
291.16345	0.8
291.19632	15.2
292.19992	1.4
295.22684	1.0
309.20691	41.0
310.21051	3.0
447.22299	7.8
448.22983	0.6
503.33884	1.1
504.12061	0.5
521.00861	0.5
527.28644	0.8
545.29657	3.6
665.39392	0.5
739.42560	1.3
757.72766	0.5
831.41498	1.6
832.54242	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
68.22547	35.5
70.63809	76.5
70.64204	73.2
78.95788	70.1
84.79562	39.1
103.19654	36.1
110.85743	37.4
114.86618	37.8
158.10495	38.8
241.01186	71.1
255.23367	100.0
330.25681	41.4
456.07025	45.3
678.31677	52.1
714.33051	43.5
740.10950	50.0
831.49841	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	1.0
59.01249	21.1
60.21331	0.3
61.96984	0.2
69.03309	3.1
70.86948	0.3
70.87286	0.6
71.01249	16.4
71.04887	0.9
72.99178	1.1
73.02801	2.7
75.00739	0.4
78.95791	0.3
80.02550	1.1
81.03329	1.9
83.01247	1.9
83.04897	6.1
84.02052	1.0
85.02808	3.9
85.06478	0.3
87.00744	3.7
89.02313	15.1
93.03323	0.3
95.01261	1.5
95.04903	1.2
96.95879	0.6
97.02826	2.5
97.06475	0.3
99.00755	0.9
99.04416	0.3
101.02319	13.0
109.02821	0.5
109.06472	0.6
111.04408	0.3
111.08015	0.4
113.02324	6.4
113.03062	0.5
115.03923	0.3
119.03387	4.0
125.02336	5.6
125.05976	0.7
125.09603	0.7
131.03369	0.7
135.08026	0.6
137.02275	0.3
139.03944	0.6
141.01689	0.5
143.03404	2.2
149.04434	0.4
149.09656	0.4
153.09116	0.5
161.04439	3.1
161.13223	0.4
163.11205	4.8
165.12755	2.4
167.03363	0.5
167.10686	2.5
171.10175	0.7
177.12804	0.4
179.05518	4.6
179.10686	1.2
179.14316	2.6
180.14566	0.3
181.12247	0.8
191.10674	1.5
195.13835	7.7
199.13258	0.3
205.12274	6.1
209.11758	100.0
210.12099	3.9
211.13284	0.4
217.07130	0.6
221.06639	1.7
223.13336	68.8
224.13690	2.5
227.12825	15.3
228.13197	0.6
235.08174	4.0
245.06526	0.3
253.09282	0.6
259.08313	0.4
261.14926	0.9
263.07721	0.7
269.03201	0.3
287.07687	1.2
305.08801	1.3
323.09921	1.1
379.12384	4.3
397.13470	37.0
398.13821	1.5
415.14532	9.7
415.24554	0.4
416.14804	0.5
441.21365	0.4
481.14310	0.3
589.25293	0.5
603.26862	3.2
607.26270	1.2
619.36206	0.3
621.27582	5.0
622.28070	0.6
664.82513	0.3
795.37762	0.9
813.38947	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	831.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00452	2.1
59.01247	34.6
60.08954	1.4
61.98699	15.2
69.03317	3.7
71.01258	27.5
71.04880	1.6
71.15812	3.0
71.16176	1.5
72.99162	3.3
73.02814	3.0
75.00744	2.4
78.95757	4.2
81.03320	2.3
83.01254	2.5
83.04376	1.3
83.04890	2.2
85.02820	6.6
87.00740	6.4
89.02309	17.9
91.03875	2.0
95.01249	1.9
96.95875	5.1
97.02827	3.3
99.00765	2.5
101.02322	19.1
111.08052	2.0
113.02320	7.2
119.03374	4.5
120.55286	1.3
125.02322	7.5
141.01582	3.7
143.03418	2.7
152.99495	1.7
161.04424	2.7
165.12759	9.2
167.10664	4.0
171.10155	2.8
179.05481	3.5
179.14375	3.3
183.13829	70.8
184.14195	1.8
195.13759	10.4
197.11798	1.8
199.13298	2.4
205.12227	6.7
207.10173	2.0
209.11761	14.9
211.13432	9.5
221.06723	3.0
221.11819	2.5
223.13332	40.2
224.13721	2.0
225.11261	2.2
227.12781	9.7
235.08118	4.5
239.12851	3.5
241.01038	2.1
253.09225	3.5
277.21906	1.8
325.20169	2.0
397.13522	17.4
415.14481	3.9
570.01923	1.7
614.57904	2.3
618.00793	1.8
621.27930	3.3
625.27356	3.0
831.40033	100.0
832.40228	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	829.459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	23.0
61.98690	2.6
69.03319	1.2
71.01250	7.0
71.56696	0.7
72.99168	1.2
73.02811	1.2
75.00732	1.3
78.95761	3.0
83.04890	0.9
85.02807	1.5
87.00773	4.2
88.00328	0.8
88.51056	0.6
88.98699	3.5
89.02299	3.6
95.01257	0.9
95.04890	0.9
96.95900	1.0
97.02810	1.2
97.06460	2.2
99.00751	0.8
101.02306	4.1
105.01810	2.8
109.06445	1.0
111.08054	1.2
111.65664	0.7
113.02296	1.8
118.45708	0.7
121.75993	0.8
125.02382	1.4
125.09633	0.7
129.09081	0.9
143.03329	1.0
149.09535	1.1
151.11169	3.0
155.10667	0.8
161.04431	1.6
163.11200	1.7
164.81549	0.7
165.12709	3.6
167.10672	1.0
168.04160	0.8
171.10175	8.3
172.10559	0.9
177.12759	1.0
179.10712	1.8
181.12199	4.4
183.13834	7.6
189.17732	0.7
191.10672	1.6
191.14267	1.0
193.12225	1.7
197.11789	0.9
199.13445	0.8
205.12314	1.3
207.10187	1.2
209.08595	0.8
209.11754	10.4
210.12038	0.8
211.13324	100.0
212.13672	5.2
225.11293	1.2
227.12846	4.1
235.08148	3.0
238.85022	0.7
239.09332	0.7
245.19044	3.1
253.09258	6.5
263.20126	7.9
277.21817	4.4
289.18085	9.7
290.18301	0.8
293.20819	0.8
307.19125	28.4
308.19406	2.2
311.22238	6.9
320.65308	0.8
397.13400	3.1
445.20654	5.6
447.22406	4.8
525.27045	2.5
543.27997	6.7
544.28070	1.2
639.34088	3.3
719.40448	1.1
737.41290	5.4
829.42224	0.8
830.52045	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	831.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	1.0
59.01250	16.6
64.30179	0.3
69.03326	2.4
71.01252	15.1
71.04881	0.7
72.99183	1.4
73.02811	2.1
75.00734	0.5
78.95778	0.4
80.02541	1.2
81.03332	2.2
83.01246	1.7
83.04897	6.2
84.02068	1.3
85.02820	3.1
85.06462	0.3
87.00743	3.2
87.63651	0.2
89.02313	12.1
91.03873	0.3
93.03320	0.6
95.01254	1.4
95.04877	1.2
96.95852	0.3
97.02827	2.5
97.06467	0.5
99.00746	0.8
99.04418	0.4
101.02318	10.7
109.02795	0.4
109.06464	0.8
111.00716	0.3
111.04394	0.3
113.02319	5.8
115.00285	0.4
119.03389	2.8
119.04875	0.4
121.02818	0.5
125.02329	5.0
125.05944	0.7
125.09637	0.4
127.03885	0.3
131.03360	0.8
133.04951	0.4
135.08040	1.1
137.02357	0.3
139.03905	0.6
141.01695	0.6
143.03403	1.9
149.04478	0.5
149.09752	0.2
161.04489	3.3
163.11179	4.8
165.01839	0.3
165.12759	3.0
167.10687	1.8
170.58093	0.2
171.10201	0.9
177.12738	0.5
179.05524	3.6
179.10693	0.5
179.14294	2.1
181.12253	0.5
191.10701	0.9
195.13829	6.5
199.05988	0.5
199.13368	0.5
199.99815	0.3
204.18552	0.2
205.12262	5.5
209.11761	100.0
210.12100	3.4
211.13310	0.8
212.13412	0.3
217.07146	0.4
221.06642	1.1
223.13339	56.5
224.13704	2.2
227.12836	12.8
228.13179	0.6
229.59549	0.3
232.16222	0.2
235.08189	3.8
251.12814	0.7
253.09375	0.9
257.57455	0.3
259.08133	0.3
261.14932	0.8
263.07498	0.5
285.07651	1.0
287.07773	1.1
305.08780	1.2
323.09872	1.3
335.24121	0.2
379.12433	4.5
397.13486	31.8
398.13925	1.7
415.14542	8.9
415.19934	0.6
415.24094	0.3
416.14606	0.6
458.75583	0.2
589.24792	0.6
603.26733	2.3
603.35577	0.4
607.26233	1.7
621.27625	2.2
646.74377	0.3
795.38739	0.7
813.39441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.8
66.22998	0.7
67.79255	0.6
69.47076	3.3
69.47506	2.1
71.01245	2.4
72.99148	0.9
74.18890	0.6
78.95786	0.8
83.01276	1.3
85.02797	1.1
88.25131	0.6
89.02324	1.3
96.95856	0.9
101.02312	1.8
107.01276	1.7
108.02073	0.9
109.02785	0.9
113.02316	1.2
117.03320	1.5
119.04900	1.8
121.02802	2.5
125.02353	2.5
140.73686	0.7
145.02849	3.6
149.02316	0.9
150.03178	1.0
151.00281	10.6
151.03738	0.7
159.04385	1.2
163.00249	1.7
163.03928	2.1
165.05472	2.5
169.01332	1.9
178.99765	5.6
195.06468	1.2
211.04066	0.7
227.03349	1.1
229.04996	0.8
243.02924	2.5
245.04482	1.9
255.02933	11.1
256.03531	1.3
271.02472	24.1
271.98114	0.7
272.03143	1.5
273.04034	1.6
283.02444	0.8
299.02087	2.3
300.02722	62.9
301.03488	49.4
302.03891	3.0
361.32736	0.7
445.07672	1.4
447.09280	100.0
448.09720	9.0
559.80890	0.8
591.13239	7.5
668.09271	0.7
829.43958	4.5
833.64294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	1.1
59.01248	17.2
61.98711	1.6
68.80490	0.3
68.99700	0.4
69.03322	1.1
69.90905	0.3
71.01250	16.4
72.99181	1.8
73.02817	2.3
75.00738	0.9
78.95760	0.7
81.03320	1.0
83.01232	1.8
85.02819	4.0
87.00748	5.8
88.98663	1.0
89.02312	12.8
95.01263	1.3
97.02833	2.8
98.20663	0.6
99.00144	0.3
99.00759	1.3
101.02316	12.6
101.22707	0.3
111.00753	0.6
111.04382	0.7
113.02320	7.4
115.03880	0.3
119.03384	3.5
125.02332	6.8
125.08307	0.3
125.09591	1.2
127.03871	0.4
127.11178	1.7
133.04958	0.4
141.01891	0.5
143.03391	2.4
149.05844	0.3
153.09113	0.8
161.04480	3.6
162.04857	0.3
163.03983	0.3
167.03427	0.7
171.10172	100.0
172.10524	3.6
174.18623	0.3
179.05524	3.3
195.10124	0.3
199.06046	0.6
209.11685	0.4
213.11284	0.6
217.07123	1.1
221.06499	1.1
235.08145	5.9
236.58885	0.3
253.09364	1.1
259.08276	0.7
263.07648	0.5
277.21707	53.7
278.22055	3.4
287.07660	2.1
291.23328	0.5
305.08752	2.3
323.09805	1.4
325.80411	0.3
379.12436	9.2
380.12674	0.4
397.13467	33.5
398.13663	2.3
413.05722	0.4
415.14523	8.1
416.14832	0.5
459.17932	0.3
551.23352	1.1
565.44025	0.3
567.91895	0.3
569.24084	1.0
573.59674	0.3
829.48419	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00458	0.7
59.01251	23.9
61.98415	0.7
61.98702	7.9
62.08192	0.5
62.46745	0.5
65.87462	0.5
69.03318	1.4
71.00877	0.9
71.01247	7.6
71.04906	0.7
72.99181	1.2
73.02816	0.8
75.00735	2.4
78.95777	4.3
80.02535	0.8
81.03336	1.1
83.01245	1.8
83.04881	1.3
85.02812	1.4
87.00768	1.2
88.98677	2.3
89.02319	5.0
95.04881	0.6
96.95843	0.6
97.02818	1.1
97.06448	2.2
98.20631	1.2
99.19015	0.7
99.70676	0.5
101.02307	4.7
109.06457	1.2
111.07956	0.9
112.33421	0.6
113.02332	3.1
119.03413	1.0
121.06503	1.1
123.04395	1.3
123.08012	1.3
125.02317	2.0
125.09598	3.5
131.52791	0.5
135.08070	1.2
137.09599	2.0
151.11154	0.8
155.10609	0.6
161.04466	1.6
163.11165	3.4
165.12726	0.6
167.10680	0.6
171.10156	9.9
172.10588	0.5
179.05478	1.2
181.12279	1.1
183.13824	6.8
185.11736	3.4
185.74599	0.6
191.10635	0.9
191.14322	3.6
193.12289	2.1
197.11685	3.1
198.11922	0.9
207.10138	2.5
209.11760	10.9
211.13330	100.0
212.13687	5.2
217.16086	0.7
224.91742	0.6
225.11258	2.2
229.50143	0.7
233.15282	0.7
235.08208	3.5
237.11299	1.9
245.19044	8.4
253.09242	10.2
263.20193	3.1
271.17026	1.1
277.21780	6.1
289.18076	42.5
290.18387	2.6
291.19653	1.6
293.21042	0.9
307.19131	40.6
308.19498	2.9
309.20740	2.1
310.20959	1.1
311.22153	2.1
312.22757	1.5
345.75012	0.6
397.13354	3.3
403.25168	0.6
415.14496	0.8
445.21021	0.7
447.22324	3.6
483.31009	1.5
501.32324	1.7
525.27246	1.9
543.27832	1.7
621.33179	3.7
719.40002	1.2
737.41681	2.0
829.50500	4.6
830.52252	1.0
849.06165	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00449	0.8
59.01249	17.5
59.42637	0.2
60.17799	0.2
61.98687	0.5
63.41277	0.2
69.03301	3.7
71.01249	13.2
71.04884	0.9
72.99172	1.1
73.02824	2.0
75.00744	0.4
81.03310	0.8
83.01264	1.2
83.04901	0.6
85.02817	2.5
85.06461	0.6
87.00748	2.7
89.02311	12.9
90.69372	0.3
91.03880	0.3
93.03332	0.3
95.01270	1.2
95.04874	0.4
96.95889	0.3
97.02831	1.8
99.00747	0.6
101.02320	10.0
109.06458	0.8
111.04372	0.3
111.27572	0.2
113.02324	5.6
113.03059	0.5
118.86047	0.2
119.03385	3.2
121.02834	0.2
125.01436	0.4
125.02330	4.0
125.09621	0.4
127.03988	0.3
131.03389	0.6
133.04913	0.4
135.11653	0.5
139.03908	0.5
141.01790	0.5
141.09091	0.4
143.03377	1.6
149.04492	0.4
149.09590	0.6
151.03896	0.3
161.04457	2.6
161.13200	0.3
162.40862	0.2
167.03317	0.3
167.10674	3.1
171.03488	0.3
177.12712	0.7
179.05530	3.8
179.10674	1.2
179.14325	4.0
187.11055	0.4
195.13824	11.3
196.14125	0.7
197.11563	0.3
205.12267	10.0
206.12509	0.6
207.26114	0.2
209.11836	0.4
216.59033	0.2
217.07135	0.3
221.06601	0.8
223.13336	100.0
224.13663	5.1
233.52371	0.3
235.08174	3.1
243.69896	0.2
253.09230	0.5
260.42596	0.2
263.07605	0.4
265.14368	0.6
287.07800	0.8
305.08850	1.0
323.09619	1.1
349.24875	0.3
379.12402	3.2
397.13477	26.5
398.13763	1.5
411.25064	0.4
415.14545	6.3
416.14944	0.3
427.19617	0.4
429.26160	1.7
459.23163	0.3
603.26611	5.9
604.26935	0.6
621.27576	9.6
622.27783	1.5
757.37476	0.3
783.38171	0.5
809.39618	2.1
810.40063	0.4
826.09955	0.3
827.41864	1.3
828.40759	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	46.6
61.98705	16.5
71.01256	15.2
72.99183	7.6
78.95791	6.1
81.03349	7.6
81.35748	4.9
83.04903	5.7
87.00761	11.4
88.98691	5.1
89.02338	6.4
96.95885	19.7
101.02293	9.3
106.74932	5.0
110.38511	5.2
132.41904	5.2
141.01616	20.9
153.09120	7.8
171.10178	17.2
195.13829	10.5
197.11760	9.3
205.12323	9.3
209.11752	44.4
210.12169	6.8
211.13417	13.0
223.13330	100.0
223.15361	8.8
224.13629	6.5
229.39545	5.5
235.08278	7.4
250.40810	5.7
253.09215	14.4
289.17941	12.3
307.19189	46.7
308.19400	5.2
309.20685	8.1
325.20105	32.0
459.22693	14.3
543.27887	16.1
576.91125	6.4
749.40869	11.8
812.19012	6.6
814.93372	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	825.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	2.0
59.80002	0.9
67.01755	2.2
68.99674	1.4
69.03307	1.3
70.23313	4.1
71.01235	5.6
72.99163	1.5
73.51716	1.0
75.46745	1.1
79.01742	1.4
79.71957	0.9
81.98487	1.2
83.01251	2.9
83.22916	1.0
85.02819	1.8
93.03334	1.2
95.01247	5.0
96.95851	2.2
97.02819	2.6
98.38013	1.0
101.02301	2.7
107.01260	18.6
109.02818	2.7
111.00752	4.5
113.02322	3.0
119.04847	1.6
121.02840	2.5
123.00761	29.4
124.01517	3.5
125.02329	99.4
126.02657	3.0
127.00279	2.3
136.98682	3.2
137.02287	2.4
139.00238	8.7
139.03902	4.5
140.01054	8.6
141.01816	3.5
145.02783	2.0
150.03166	1.4
151.00267	10.0
151.03761	1.8
153.01831	2.2
154.99753	1.5
161.02322	1.4
165.01839	2.6
166.99750	4.5
167.03331	1.6
168.00543	8.9
169.01324	100.0
170.01671	3.2
179.03447	1.3
183.02939	7.2
185.44115	1.2
195.02763	1.5
204.51294	1.1
211.02434	3.1
241.03600	1.5
255.06529	1.4
269.08105	2.8
289.07236	2.8
299.09131	2.3
300.09869	2.4
311.09091	1.6
313.05637	27.1
314.11621	2.9
315.12482	5.6
326.11389	2.2
327.12491	2.6
329.13916	2.9
341.13925	1.4
354.87500	1.2
375.10864	1.6
451.10355	1.4
466.12674	4.8
478.12613	6.6
481.14963	25.8
482.15421	3.2
493.14941	13.3
494.15289	1.8
511.15555	5.1
673.21301	32.5
674.21399	4.2
825.22308	95.7
826.22687	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00456	0.7
59.01247	15.5
61.98690	0.9
68.99695	0.2
69.03300	3.6
71.01248	13.8
71.04884	1.0
72.01569	0.2
72.99168	1.0
73.02818	1.9
75.00739	0.4
78.95782	0.3
81.03335	0.5
83.01259	1.3
83.04877	0.7
85.02822	2.7
85.06458	0.4
87.00748	2.9
87.27469	0.2
89.02310	10.5
91.03870	0.2
93.03339	0.3
95.01255	0.9
95.04899	0.5
97.02820	2.2
97.06460	0.4
98.19768	0.5
99.00743	0.6
99.04346	0.2
101.02316	10.7
109.02825	0.3
109.06460	0.8
111.00729	0.4
111.04404	0.4
113.02326	5.4
114.02735	0.2
115.03911	0.2
119.03384	3.0
123.07999	0.3
124.01577	0.3
125.02322	3.4
125.09599	0.6
131.03377	0.5
133.04956	0.3
135.11659	0.4
137.02371	0.4
139.03923	0.3
141.01717	0.5
141.09113	0.5
143.03391	1.8
149.04391	0.4
149.09599	0.7
161.04443	2.2
161.13213	0.4
167.10680	3.5
177.12753	0.9
179.05519	3.4
179.10721	1.8
179.14302	3.8
195.13831	12.0
196.14180	0.6
197.11858	0.3
205.12271	11.5
206.12604	0.6
209.11839	0.4
217.07030	0.4
221.06561	1.3
223.13332	100.0
224.13669	5.5
225.11325	0.2
227.12947	0.2
235.08189	2.9
237.14835	0.3
241.14264	0.3
253.09276	0.5
259.08286	0.3
263.07629	0.2
265.14377	0.6
287.07672	0.6
305.08640	1.2
323.09863	1.0
341.10980	0.3
379.12415	3.0
380.12817	0.3
397.13467	25.6
398.13834	1.7
403.24496	0.2
411.25119	0.4
415.14511	5.8
416.14957	0.6
427.19846	0.3
429.26324	1.7
430.25504	0.2
441.20587	0.3
511.21838	0.3
603.26501	6.4
604.26862	1.0
621.27594	9.3
622.28180	1.3
647.35034	0.2
783.38953	0.5
809.39502	1.5
810.40094	0.4
827.40289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	6.2
70.98135	4.2
70.98492	3.4
71.01257	8.9
75.62736	2.3
83.04906	3.5
87.00752	3.6
88.98676	3.0
89.02287	3.4
95.04829	1.9
96.95901	6.9
99.00765	2.8
101.02330	6.5
109.06463	6.1
113.02316	3.0
116.92731	6.4
121.02851	2.6
122.88104	2.1
124.11755	2.0
125.02355	4.7
125.09617	2.4
129.84735	2.2
141.03618	2.4
161.04460	3.3
163.11212	4.2
169.01350	3.0
171.10141	11.1
181.12233	3.6
193.12335	2.9
197.11775	3.4
201.11256	4.4
207.10205	8.7
209.11758	100.0
210.12129	5.9
211.13391	5.4
225.11266	7.2
225.14882	4.4
227.12845	25.1
235.08116	7.6
236.00929	2.4
251.94319	2.3
253.09248	19.8
299.75253	2.4
305.17621	11.3
307.19183	7.5
323.22107	2.3
341.19305	3.9
341.23318	64.8
342.23639	6.4
397.13431	2.1
445.20847	7.3
554.25659	2.5
577.32410	6.6
635.03619	2.3
823.42480	29.7
824.43115	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	823.521
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00450	0.3
59.00948	0.5
59.01244	8.7
59.19079	0.3
69.03323	1.2
69.37964	2.7
71.01246	7.8
72.11119	0.3
72.99167	0.7
73.02819	2.7
73.03197	0.4
75.00765	0.4
78.95763	0.5
79.95619	0.3
81.03322	0.3
83.01242	1.5
83.04902	0.7
84.02045	0.3
85.02339	0.5
85.02814	6.6
87.00751	1.6
89.02309	6.0
91.03870	0.4
93.89977	0.3
95.01239	0.9
95.04892	0.8
96.95874	7.6
96.96841	0.5
97.02830	1.3
97.06461	2.9
99.00751	0.8
101.02304	7.5
109.06400	0.3
110.03633	0.4
111.08018	0.4
113.02318	4.8
115.03921	0.4
119.03386	1.7
119.08560	0.4
119.50291	0.3
125.02325	0.8
125.09596	1.2
127.11151	1.3
133.04948	1.0
137.09587	1.1
143.03395	0.8
145.04953	1.0
155.10654	1.3
157.04935	0.4
161.04466	3.5
163.11215	0.4
165.12781	1.0
167.10660	0.4
167.14346	0.7
171.10165	15.2
172.10515	0.6
177.12787	0.6
179.05516	1.0
181.12276	0.4
183.13809	3.4
185.11751	1.2
193.12224	1.2
195.13799	0.8
197.11769	1.9
201.11266	0.6
203.10648	0.5
209.11726	1.7
211.13319	14.9
212.13603	0.5
221.11758	2.4
223.13542	0.3
227.12833	0.6
229.14395	10.6
230.14774	0.4
233.22945	0.4
235.08171	15.9
236.08528	0.5
239.12892	1.5
247.20589	0.9
251.16515	0.4
253.09235	30.5
254.09491	0.8
275.20187	0.7
277.21686	100.0
278.22025	6.5
291.19647	7.4
293.21246	4.0
294.21643	0.4
295.22678	2.5
307.19089	0.4
309.20670	17.9
310.21060	1.2
311.22235	3.6
327.21722	84.6
328.22015	5.2
513.30920	0.6
536.36438	0.3
545.29376	2.6
563.30566	3.5
587.43127	2.2
709.84290	0.3
823.44116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.0
61.98682	11.7
66.95769	2.6
67.60123	2.7
71.01248	36.3
71.56796	4.2
73.02791	2.7
78.95757	3.5
80.91547	3.6
82.95286	77.5
83.02390	7.9
83.04889	4.2
85.02864	3.7
89.02320	4.6
96.95878	64.8
96.96838	4.1
101.02316	5.0
109.06460	4.8
113.02244	3.2
113.05958	5.5
125.09669	3.5
156.99005	5.2
163.11131	5.3
171.10205	15.2
181.12350	3.1
197.00317	3.1
197.11674	5.0
199.09654	16.1
201.11292	8.8
207.10152	21.5
209.11752	100.0
210.12114	9.5
211.13301	6.5
223.13211	4.7
225.11209	18.5
227.12839	22.7
227.44479	2.8
235.08194	4.8
253.09138	13.6
280.75714	3.6
289.18188	4.1
293.21265	5.7
294.21790	5.0
307.19275	3.4
321.10123	3.6
435.18823	5.6
461.20334	8.0
479.15866	3.5
497.16934	6.2
609.29395	3.7
627.30054	4.8
653.31824	3.9
671.32214	6.0
823.38898	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	823.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14517	4.8
59.01241	6.7
61.98698	5.9
71.01237	12.5
71.22539	9.9
78.28500	5.2
89.97566	5.3
91.22562	4.5
96.95879	9.3
98.28051	4.5
116.92756	10.2
125.02325	5.6
137.70332	5.2
165.12672	5.1
197.11749	12.8
209.11760	100.0
210.12088	7.7
211.13321	8.9
225.33418	6.3
227.12769	24.7
227.47032	6.0
253.09265	18.0
255.72171	5.2
289.18198	5.9
291.19608	17.2
307.19254	6.6
309.20721	60.7
485.73672	6.8
545.29834	5.8
737.40497	6.2
777.12341	6.3
823.42419	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	22.5
61.98711	3.3
64.83016	1.9
69.27549	1.9
71.01244	25.4
71.56055	3.3
73.02813	4.1
78.95760	2.8
79.95615	3.8
80.96384	11.8
83.04885	1.9
85.02832	8.2
87.00769	7.1
87.04391	2.2
89.02322	13.9
94.97979	4.0
95.01275	3.3
96.95887	52.7
97.02834	3.6
97.06463	2.6
99.00740	3.0
101.02301	22.0
104.03613	2.1
111.08038	9.4
113.02334	8.3
113.09621	2.9
114.86263	1.9
119.03415	5.0
125.02305	6.8
135.51976	1.9
137.09718	2.1
143.03403	2.1
157.20790	2.1
161.04390	2.1
165.12820	2.4
167.10735	2.1
171.10242	2.8
174.24706	2.0
177.12810	3.4
179.10725	2.4
183.13727	2.6
185.11751	72.4
195.13861	16.0
196.14209	2.0
197.11804	3.1
209.11800	16.4
210.12166	2.3
211.13342	3.4
223.13335	6.1
235.08205	9.1
247.20561	3.7
253.09242	33.3
255.23268	51.4
256.23489	3.8
265.08478	3.1
275.20197	9.7
277.21683	30.2
278.21912	2.4
289.18106	12.3
290.18451	2.6
291.19647	100.0
292.20123	8.1
293.21225	96.4
294.21527	8.6
295.22748	22.0
307.19183	12.2
309.20706	23.7
325.20212	17.0
379.12537	9.0
397.13406	30.5
415.14526	6.5
598.46216	2.1
723.42810	2.8
821.43335	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	823.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.1
68.99680	3.7
69.03199	0.3
69.25334	2.8
69.25755	1.3
71.01264	0.6
72.99178	24.7
75.00749	1.9
78.54007	0.3
83.02531	0.4
87.00752	1.1
93.03331	23.7
94.03675	0.5
99.00755	1.9
102.81875	0.3
106.04121	0.8
107.04903	50.0
108.05251	1.4
119.04885	0.4
121.02857	0.4
121.06492	0.8
123.04430	0.9
127.76444	0.4
131.04935	1.0
133.02858	1.9
134.03619	0.8
135.04401	9.7
144.77441	0.4
147.04420	1.0
149.05978	8.0
163.03931	2.1
165.05478	30.3
166.05827	1.4
175.03896	3.5
181.04988	3.8
193.04982	10.9
194.05396	0.5
211.06055	3.7
227.07092	11.5
228.07433	0.7
269.08151	2.0
285.07663	17.6
286.08047	1.3
295.06131	1.0
299.05533	4.8
300.02756	0.4
301.07230	0.5
313.07181	1.6
375.07184	100.0
376.07553	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	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.6
59.01252	5.0
61.98701	0.9
69.03297	0.5
70.13671	0.6
70.14082	0.9
71.01249	6.7
71.04892	1.1
72.99184	0.3
73.02824	2.0
78.95782	0.4
79.95589	0.3
80.02548	0.6
80.96391	1.8
81.03339	1.0
83.01257	1.1
83.04902	1.8
84.02013	0.7
85.02817	1.7
87.00749	1.7
89.02316	2.5
94.97950	0.4
95.01230	0.5
95.04879	0.4
96.95876	1.6
97.02824	0.4
97.06412	0.6
99.00725	0.3
99.04404	0.7
99.08023	0.6
101.02318	5.1
109.06472	0.6
111.08035	0.5
112.05175	0.7
113.02332	2.5
115.07544	0.7
119.03382	0.6
123.04394	0.4
123.08000	0.5
125.02306	0.5
125.05941	0.4
125.09602	2.4
127.07533	1.5
127.11154	0.3
135.08064	1.0
137.09601	0.4
141.09091	0.6
143.03409	0.4
145.04964	1.1
153.09114	10.5
155.10672	1.0
161.04469	1.7
163.11168	1.9
164.98483	0.4
165.12772	1.1
171.10175	8.7
172.10550	0.4
178.09956	1.4
179.05663	0.3
181.12256	0.5
185.11752	1.9
191.10727	1.5
191.14330	0.4
191.30342	0.3
197.11755	3.3
207.10155	0.3
209.11765	19.9
210.12094	1.2
210.13943	0.3
211.13322	1.0
219.13844	0.6
225.00879	0.3
227.12798	0.5
235.08183	8.1
235.20557	0.4
236.08492	0.4
236.10602	0.4
238.12022	0.5
239.16519	0.4
245.19089	1.0
253.09265	9.9
259.20502	0.5
263.20093	0.5
265.18091	0.3
275.20102	0.5
277.21707	100.0
278.22040	8.0
279.19574	0.5
289.18085	9.4
290.18405	0.6
297.20685	0.5
307.19138	32.6
308.19470	2.9
325.20184	13.1
325.24130	0.6
326.20593	0.8
358.91840	0.3
379.39984	0.3
395.10199	0.3
513.30682	0.7
525.27075	4.1
526.27551	0.4
543.28162	3.8
544.28229	0.5
561.29193	0.5
734.42603	1.5
803.49341	6.7
804.50067	1.6
821.51923	2.2
822.51184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.2
59.01248	8.6
61.98667	0.9
69.03284	0.8
71.00902	0.7
71.01250	10.4
71.04872	1.5
71.26822	0.5
72.99137	0.8
73.02790	2.3
78.95744	1.0
80.02541	0.7
80.96367	3.5
81.03310	1.5
83.01230	1.8
83.04889	5.0
84.02026	0.9
84.78287	0.5
85.02802	3.0
87.00713	0.9
88.66402	0.6
89.02310	8.7
94.97923	1.6
95.04895	2.0
96.95885	4.3
97.02816	1.4
97.06436	1.7
98.20598	1.0
99.04363	2.4
101.02303	7.5
101.75348	0.6
109.06441	1.3
111.07992	0.7
112.05161	1.7
113.02332	3.0
115.07494	2.5
119.03336	2.3
123.04407	0.9
123.08049	1.6
125.02315	0.8
125.05956	0.7
125.09609	5.9
127.07563	3.4
127.11180	0.6
135.04384	0.7
135.08031	3.9
137.09634	0.8
141.09093	0.8
141.12646	0.6
143.03404	0.8
148.19934	0.6
151.11263	0.7
153.09106	27.0
153.18539	0.5
154.09390	1.0
155.10681	1.9
161.04448	3.3
163.11189	4.3
164.98497	0.7
165.12747	3.2
171.10170	36.8
172.10486	1.5
178.09894	3.3
179.05466	1.7
179.10680	0.7
181.12201	1.2
185.11737	7.5
186.12115	0.7
191.10641	2.8
191.14330	2.2
197.11761	9.0
207.10207	0.7
209.11754	70.0
210.12041	2.6
211.13304	1.2
219.13869	0.9
225.00635	1.5
227.12788	1.4
229.51477	0.8
235.08128	3.6
236.10493	1.6
238.12077	1.6
245.19044	3.8
253.09221	16.3
253.18007	0.7
263.20062	2.0
271.16983	1.3
277.21695	100.0
278.22043	8.9
279.19638	1.8
279.22903	0.8
281.21112	1.0
289.18057	20.7
290.18414	1.2
291.19476	0.7
293.21216	1.5
297.20691	1.9
301.70496	0.6
307.19128	90.6
308.19467	7.1
309.20795	1.4
325.20157	34.0
326.20428	3.2
362.53720	0.6
401.98929	0.6
407.18985	1.1
474.21439	0.9
525.26843	6.5
543.28046	26.2
544.28748	3.1
561.29041	5.4
562.30237	0.7
734.42108	3.0
803.49408	12.1
804.50378	2.8
815.81915	0.7
821.51556	4.2
822.51062	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	821.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.5
58.00465	0.7
59.01249	5.3
61.98674	1.1
69.03323	0.6
71.01254	6.1
73.02792	1.2
83.01229	0.6
83.04893	0.5
83.94724	0.3
84.02704	0.3
84.16282	0.4
85.02806	1.1
87.00755	0.7
89.02309	3.5
95.01264	0.6
95.04978	0.3
96.95879	0.8
99.00766	0.4
101.02318	4.5
111.08041	6.6
113.02322	2.2
113.09570	0.3
119.03339	0.9
125.09576	0.4
127.07528	0.7
141.09093	0.4
143.03374	0.5
143.86082	0.3
151.11150	0.7
153.09190	0.3
153.12704	0.6
153.20058	0.4
161.04439	2.6
167.10727	0.5
169.12248	3.0
171.10133	1.4
179.05531	0.9
179.10664	0.5
179.14305	0.6
181.12265	1.0
183.13780	0.5
193.12157	0.5
194.12563	0.4
195.13826	7.7
196.14294	0.5
197.11749	32.2
198.12082	1.8
199.13379	1.7
205.16000	0.5
211.13348	6.0
221.11786	0.4
222.21487	0.3
223.13348	5.2
227.12839	0.6
228.13623	0.5
229.35890	0.4
235.08066	2.3
239.12936	0.5
253.09250	30.5
253.30991	0.4
254.09526	0.9
256.13101	1.0
263.20181	2.2
265.18045	0.6
273.18591	0.6
275.20163	5.6
276.20612	0.4
291.19641	13.8
292.19998	1.0
293.21201	100.0
294.21552	6.9
295.21948	0.4
309.20685	58.5
310.21039	4.1
433.20853	0.4
492.22098	0.7
529.29852	0.8
530.31299	0.4
545.29742	1.5
585.41663	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	821.5051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.4
58.00464	0.5
59.01247	6.7
62.69154	0.5
69.03338	0.9
69.92600	2.0
71.01241	6.0
73.02824	1.4
78.95802	1.4
79.95580	0.8
83.01259	1.1
85.02853	1.7
87.00761	1.7
89.02312	3.6
89.93607	0.5
95.04931	0.5
96.95883	29.7
96.96879	1.1
97.06488	1.4
101.02310	5.5
111.00871	0.6
111.08080	0.9
113.02312	3.0
113.09615	2.0
115.07515	1.1
119.03392	0.9
123.00753	0.6
132.82610	0.6
139.11211	0.6
140.02007	0.5
141.09152	1.4
145.04947	1.0
151.11142	0.8
161.04478	2.1
162.34592	0.5
165.12724	2.5
167.10655	1.0
167.14359	1.7
168.79543	0.5
171.10262	0.5
179.05525	1.1
179.10667	0.8
179.14230	0.9
181.12314	2.8
193.12292	1.7
195.13843	10.1
196.14429	1.9
205.12181	1.2
205.15913	0.6
209.11801	0.7
211.13394	3.3
213.14861	0.8
215.49881	0.5
221.15460	2.6
223.13348	6.8
224.13972	0.6
228.13673	0.6
229.14366	0.9
235.08156	4.2
240.13647	1.1
241.14508	0.6
245.19119	0.9
247.20663	3.4
253.09245	19.7
254.09554	0.9
256.13138	1.5
273.18610	2.9
275.20142	5.2
277.21841	0.6
281.21274	1.6
289.18069	1.2
290.18344	1.2
291.19653	33.6
292.20026	3.7
293.21207	100.0
294.21561	11.3
307.19153	0.9
308.19580	0.7
309.20691	96.8
310.21024	8.0
311.22321	0.7
352.06042	0.5
492.21884	0.6
527.28754	2.9
529.30157	1.7
545.29645	14.8
546.29694	2.5
585.41248	0.9
586.90137	0.5
752.43201	1.9
821.50360	7.3
822.51697	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	821.5053
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00439	0.4
59.01248	5.6
61.98655	1.0
69.03294	0.7
70.73848	0.4
70.74160	0.7
71.01253	4.5
73.02794	0.9
73.46591	0.3
83.01229	0.7
85.02783	1.6
87.00724	0.7
89.02313	3.8
95.01257	0.5
95.04847	0.5
96.95860	0.6
101.02321	4.1
108.77001	0.4
111.08038	7.9
113.02290	2.7
113.09551	0.5
119.03356	0.9
123.08070	0.4
125.09586	0.5
127.07484	0.6
141.09006	0.5
143.03387	0.5
151.11137	0.6
153.12755	0.6
161.04425	2.4
167.10643	0.4
169.12234	2.7
171.10144	0.6
177.12727	0.3
179.05486	0.7
179.10696	0.6
179.14311	0.8
181.12234	0.5
183.13795	0.4
193.12053	0.5
195.13824	7.6
196.14302	0.6
197.11758	37.0
198.12096	1.7
199.13327	2.4
205.12357	0.7
205.16069	0.4
211.13322	5.7
223.13347	5.6
224.13655	0.6
225.14891	0.4
227.12851	0.9
228.13641	0.4
232.65297	0.4
235.08221	2.8
249.14897	0.5
253.09247	27.6
254.09547	1.2
256.13107	1.2
263.20062	2.0
265.18066	1.0
265.21506	0.5
273.18579	1.0
275.20148	5.7
276.20557	0.9
291.19644	13.1
292.19916	1.0
293.21201	100.0
294.21555	8.6
309.20691	50.7
310.21008	3.5
322.03049	0.4
355.83417	0.4
433.21082	0.4
492.22284	0.6
527.28979	0.4
529.30286	0.8
545.29468	1.1
585.42010	2.0
586.41217	0.5
624.76459	0.4
666.97278	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	13.8
61.98384	5.9
61.98702	100.0
62.27715	5.3
63.83986	5.4
70.42809	4.9
71.01260	6.0
71.57786	7.1
78.95795	7.6
79.95599	6.3
80.91557	15.2
80.96388	17.2
82.95270	19.4
89.02328	7.4
96.95883	9.7
97.06465	7.7
101.02327	6.9
113.02246	5.7
125.02300	9.8
126.14347	5.7
163.11195	5.8
169.01332	5.4
171.10217	6.2
197.11670	8.5
207.10144	7.4
209.11728	57.6
211.13376	32.7
219.09851	7.1
227.12845	16.9
233.11505	32.9
235.08067	7.3
240.04501	5.5
253.09163	11.7
259.30237	5.6
289.17651	7.1
291.19547	6.6
293.17804	6.3
293.21210	23.7
297.30194	5.3
307.18988	14.3
309.20590	12.0
388.69666	6.5
445.20041	7.7
821.40802	23.0
822.40601	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	821.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.2
59.01252	9.7
61.98702	21.0
67.01788	1.4
71.01255	5.1
71.56420	1.3
73.02821	1.7
78.91784	1.4
78.95776	4.2
80.96386	3.9
83.04931	1.1
85.02847	2.7
87.00720	1.5
89.02306	3.5
96.95901	13.4
101.02321	5.1
113.02298	2.4
121.10123	3.9
125.09610	4.9
137.09634	1.9
141.01665	1.3
151.11197	1.3
152.99547	1.1
161.04442	2.4
167.14365	1.1
171.10185	23.6
183.80313	1.3
185.11780	4.7
195.13809	8.3
197.11734	3.5
209.11809	1.6
211.13335	84.4
212.13629	4.1
223.13336	7.7
235.08176	4.8
253.09270	20.5
256.13135	1.5
275.20184	10.2
277.21585	3.0
289.18085	1.4
291.19653	66.3
292.19974	7.2
293.21216	100.0
294.21536	7.0
309.20645	6.3
309.48041	1.1
314.15506	1.1
383.77087	1.2
399.31900	1.3
447.22308	3.9
503.18085	1.2
527.28650	6.0
529.30426	1.6
693.76874	1.6
821.41034	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	821.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	1.2
59.00983	0.5
59.01245	5.6
61.98682	1.7
69.03307	0.9
70.62283	0.9
70.62645	0.6
71.01247	5.7
73.02798	0.7
76.71561	0.3
78.95760	0.7
80.96374	0.5
83.01263	0.6
83.04881	0.5
85.02793	1.2
87.00751	0.9
89.02302	3.6
95.01225	0.6
96.95890	2.9
97.02830	3.6
99.00732	0.4
101.02326	4.0
109.06429	0.5
111.08050	2.7
113.02315	2.2
119.03379	0.7
123.04402	0.3
125.09610	0.9
127.07469	0.5
137.09581	1.7
145.04909	0.6
161.04472	2.5
163.11186	1.3
165.09154	0.4
165.12791	2.2
167.10704	0.8
169.12212	1.2
171.10168	6.1
177.12807	0.4
179.05502	0.5
179.10669	0.5
179.14305	1.4
181.12224	1.0
183.13681	0.7
185.11787	0.4
193.12268	0.4
193.15912	0.4
195.13849	9.8
196.14284	0.5
197.11780	11.1
199.13301	1.0
205.12241	0.7
205.15862	0.6
207.10251	0.4
209.11757	0.9
211.13280	2.6
223.13345	5.8
224.13850	0.4
227.12794	0.6
228.13507	0.8
235.08266	2.0
239.12720	0.6
247.09334	0.5
247.20639	2.8
253.09250	25.6
254.09561	0.5
256.13046	1.1
263.20172	0.5
273.18619	1.5
275.20142	7.9
276.20477	0.9
277.21768	0.4
291.19644	32.5
292.19922	3.0
293.21213	100.0
294.21539	6.7
305.63434	0.4
309.20697	69.8
310.21054	5.3
492.22800	0.5
493.95316	0.4
527.28796	0.6
529.30164	0.8
545.29828	0.6
585.41730	2.0
821.42249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.6
59.01245	26.2
66.28974	2.2
69.03331	3.8
70.13754	2.4
71.01250	30.2
72.99181	2.6
73.02803	3.5
74.02344	9.2
74.11217	2.1
75.00733	2.9
77.25584	2.2
80.56906	2.1
81.03320	3.4
83.01240	3.2
83.04880	6.5
85.02807	6.5
87.00727	5.1
89.02316	20.5
95.04878	3.8
96.95884	47.9
97.02799	4.2
97.06443	3.4
98.95476	3.2
99.05597	2.2
101.02311	21.0
113.02313	7.3
114.93295	27.9
115.00286	3.4
115.03902	2.2
116.03409	5.5
116.92788	2.6
119.03359	3.0
121.02811	2.9
125.02314	11.3
151.11154	13.1
153.01759	2.7
163.11188	6.3
165.12772	4.2
169.01315	3.0
169.12256	82.3
170.12527	3.4
171.10156	3.6
179.05513	3.7
183.13750	4.0
185.11763	5.4
191.10727	2.7
209.09875	4.6
209.11765	68.3
210.12105	13.0
211.13333	33.7
212.13629	8.2
213.11264	14.3
215.93954	2.1
221.06531	3.4
225.11143	2.3
227.12831	9.2
228.13318	2.8
235.08112	2.9
240.76686	2.2
308.95490	2.7
397.13269	13.2
398.13754	3.2
415.14182	2.6
611.25958	5.7
702.92560	3.0
785.37701	3.0
803.37451	3.7
821.38110	100.0
822.38562	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	821.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	12.3
61.98698	100.0
61.99004	7.0
71.01255	12.5
73.02829	4.3
78.95770	5.4
80.96386	6.6
96.95856	5.4
101.02341	7.0
102.72200	3.5
125.02357	4.0
162.04559	3.7
171.10170	3.9
209.11778	50.9
211.13364	20.3
223.13493	5.5
227.12881	15.5
253.09309	12.9
275.75922	3.2
289.18069	18.5
293.21146	5.6
305.17520	6.3
307.19125	18.5
341.23218	4.4
735.39661	5.3
753.40973	4.9
821.40631	29.5
822.41028	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	821.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44506	2.3
59.01231	7.6
59.65906	2.4
61.98701	100.0
63.50010	2.5
71.01247	9.1
71.57557	4.0
78.95774	4.2
79.95615	5.5
80.96391	19.0
85.02785	3.3
88.98684	3.1
89.02307	4.0
94.97937	4.2
96.95894	19.7
101.02319	3.9
116.92727	4.9
125.02323	7.3
162.93542	2.9
167.10464	2.8
171.10213	6.6
185.11766	4.1
197.11685	3.5
209.11786	37.4
210.12125	3.5
211.13364	18.7
212.13750	4.5
227.12848	9.1
235.08133	2.5
253.09065	3.3
289.18109	24.2
343.37161	3.0
821.40112	39.2
822.41559	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	819.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
58.00494	0.9
59.01246	10.7
61.98701	90.1
62.98405	1.2
65.20541	0.5
67.01759	0.7
69.03320	1.6
71.01254	9.5
71.01615	0.9
72.99186	0.7
73.02827	1.6
78.95792	1.2
81.03331	1.3
83.01263	3.1
83.04905	1.8
85.02830	2.1
87.00761	1.5
89.02306	5.6
93.03336	0.7
95.01244	0.8
95.04915	1.8
95.95783	0.5
96.95892	0.7
97.02837	2.1
97.06468	4.5
101.02312	7.8
106.04123	0.6
109.06492	1.5
111.00813	0.6
111.08054	2.2
113.02311	3.8
119.03426	1.4
119.08537	0.8
121.06501	0.8
121.10110	1.6
123.03638	0.4
123.04404	3.1
123.08060	1.3
125.06010	0.6
125.09608	5.8
135.08076	1.6
137.09679	2.8
143.03435	0.7
145.04971	0.7
150.10429	0.8
151.11232	1.2
153.12798	0.5
161.04456	3.7
161.09583	0.9
163.11197	6.5
165.12788	2.0
167.10760	0.9
169.12210	0.7
171.10156	4.4
175.11191	0.6
177.12759	1.3
179.05661	0.9
179.10722	1.1
179.14346	0.7
181.12253	1.4
185.11772	6.0
191.10757	1.0
191.14340	7.3
193.12341	0.6
193.70062	0.4
195.13831	9.5
196.14320	0.6
197.11763	5.3
207.10236	3.6
209.11765	18.0
210.12112	1.4
211.13359	4.2
217.15912	1.0
223.13327	7.1
225.11267	3.2
226.12024	0.5
227.12685	0.6
229.48772	0.7
235.08215	4.7
237.11298	7.7
238.11743	0.5
245.16660	1.1
245.19077	16.1
246.19441	0.8
247.16978	0.9
247.20665	1.3
253.09267	27.7
254.09674	1.1
256.13177	1.6
263.20087	4.7
265.21799	0.6
271.16904	2.6
273.18600	1.7
275.20142	7.9
276.20657	0.8
277.21756	1.7
281.21188	1.1
289.18088	78.9
290.18433	6.2
291.19632	24.0
292.19992	1.6
293.21210	100.0
294.21524	5.9
305.32034	0.5
307.19138	74.2
308.19434	4.6
309.20679	13.6
310.20834	0.9
325.20313	0.6
351.43756	0.6
430.41940	0.5
442.12582	0.5
488.60428	0.5
525.27057	1.7
527.29077	2.4
531.26263	0.6
543.28186	2.5
545.17877	0.5
545.29730	0.8
583.40070	0.7
819.49860	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	819.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.6
59.01248	13.3
61.98693	4.2
67.01730	1.7
71.01247	21.9
72.99162	5.5
73.02832	1.8
75.00748	17.4
78.95770	3.3
85.02824	21.3
87.00737	6.4
88.69415	1.7
89.02282	4.1
95.01261	4.9
96.36043	1.6
96.95885	4.6
97.02831	2.7
98.19767	3.7
99.00748	11.6
101.02283	2.7
113.02329	22.6
115.00232	3.1
117.01823	2.8
119.09534	1.6
141.65758	1.5
143.64063	1.9
152.99466	2.0
163.11153	2.6
171.10143	5.5
175.02386	3.2
195.13855	8.8
197.11688	2.6
205.12256	2.1
207.10245	3.8
209.11714	2.0
211.13286	3.8
223.13292	5.9
225.11278	2.0
235.08145	3.4
253.09276	7.1
275.20035	5.0
277.18570	3.3
277.21710	58.1
278.21844	2.9
287.16440	9.5
291.19589	8.6
293.21194	33.5
294.21552	2.1
305.17514	16.6
309.20569	5.7
523.25110	2.0
543.28107	3.4
721.41174	3.1
801.47388	6.6
819.48993	100.0
820.49078	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	819.4898
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.2
59.01249	8.9
62.68172	0.8
67.00522	0.9
69.03316	1.3
71.01254	8.9
71.04893	3.2
73.02824	1.5
75.00757	1.0
78.95788	2.2
83.01254	1.1
83.04865	1.2
85.02843	2.7
86.27871	0.8
87.00739	2.6
89.02318	3.5
91.09216	0.8
94.97874	0.9
96.16149	0.9
96.95869	1.6
97.02837	1.5
97.06474	4.2
98.19793	2.9
101.02313	5.4
109.02834	1.4
109.06465	1.1
111.08037	3.2
113.02310	2.6
119.03394	0.9
123.04424	0.9
125.09605	2.0
149.09592	1.6
151.07541	1.6
151.11166	3.9
153.12723	1.1
155.10721	1.1
161.04424	2.6
163.11183	2.4
165.12758	6.1
167.10674	1.8
169.12259	1.2
171.10168	3.7
177.12668	0.9
179.05568	1.2
179.10631	2.2
181.12253	4.2
183.13800	1.4
185.11584	1.0
185.27098	0.9
189.12651	1.3
191.10730	3.0
191.14417	1.4
195.13853	7.2
197.11777	1.4
205.12334	1.8
209.11755	18.1
210.11964	0.9
211.13353	3.3
223.13359	7.5
227.12775	7.6
228.13547	1.0
235.08163	4.1
245.19072	5.7
253.09221	15.5
263.20123	11.9
265.14471	1.5
275.20154	5.9
277.21722	14.3
278.22031	1.0
279.19702	1.6
287.16495	3.9
289.18033	12.4
290.18497	1.1
291.19849	1.1
293.21216	100.0
294.21518	5.3
305.17581	5.2
307.19144	35.8
308.19308	1.5
309.20670	1.6
360.29590	1.0
403.95740	1.1
445.20612	6.6
460.19449	1.0
525.26422	2.1
543.28339	7.4
681.34924	1.3
721.41882	2.6
801.47644	1.2
819.48694	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	819.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.6
58.00447	1.8
59.00955	1.7
59.01248	30.5
61.98680	3.0
68.99663	1.1
69.03305	2.0
70.25089	1.1
71.01249	34.9
72.93536	1.2
72.99158	3.5
73.02798	3.5
75.00754	2.3
78.95760	3.3
79.95586	3.8
80.96362	4.5
81.03324	1.3
83.01236	3.3
83.04879	3.5
85.02827	8.0
87.00757	6.7
88.74712	1.2
89.02312	25.0
94.97952	1.2
95.01238	2.2
96.95889	78.6
96.96861	3.9
97.02831	5.9
97.06451	1.4
98.10890	1.1
101.02319	20.8
109.06489	1.7
111.04367	1.1
111.08067	1.3
113.02324	10.4
116.92687	1.1
119.03358	4.7
125.02332	9.1
127.00181	1.2
143.03369	3.3
161.04468	3.7
163.11127	2.3
165.12750	11.0
167.14310	1.4
169.12236	4.0
171.10220	6.3
175.17270	1.2
179.05496	3.4
183.13821	69.3
184.14136	3.1
193.12280	5.4
193.13741	1.4
197.11739	2.0
199.13342	2.3
207.10129	2.9
209.11772	54.9
210.12109	6.3
211.13339	93.2
212.13622	5.2
221.06705	2.3
225.00607	1.5
225.11308	2.4
225.14917	3.2
227.12819	14.6
235.08145	6.7
253.09348	5.8
261.44193	1.5
273.17160	1.5
305.08908	1.8
341.23294	17.4
379.12198	2.9
397.09039	1.8
397.13501	20.0
398.13724	2.2
415.14429	6.1
649.13348	1.3
801.38885	2.5
819.40094	100.0
820.40356	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	819.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.7
61.98701	100.0
71.01251	17.6
75.00774	2.8
78.95776	10.7
79.95602	15.0
80.96375	16.0
83.04859	3.2
84.12924	2.1
86.04355	2.1
87.00772	4.3
89.02304	4.2
91.20319	2.2
94.97980	3.1
96.95896	14.4
99.00731	2.8
101.02323	6.8
109.06469	3.3
113.02316	3.7
125.02272	2.7
125.09641	3.3
171.01416	2.2
171.10184	6.5
183.13884	3.3
185.11378	2.4
197.11809	2.5
198.03391	2.0
205.08678	2.4
207.10127	4.4
209.11823	26.0
211.13274	18.1
212.13684	3.4
223.09766	2.5
223.13252	10.7
225.00740	4.7
225.11266	4.3
227.12782	3.8
234.25594	2.2
235.08072	3.8
241.01123	2.4
243.12163	2.4
253.09302	5.9
289.17963	2.4
291.19608	6.4
293.21103	3.6
341.23264	9.9
397.13507	7.1
425.14554	2.8
733.32166	3.0
769.39911	3.4
819.39374	22.7
820.40918	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	819.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	0.5
58.00472	0.4
59.01245	5.4
61.01590	0.2
61.98699	3.0
64.58775	0.2
68.76459	0.2
69.03303	0.4
71.01250	4.3
71.01617	0.4
71.04885	1.7
72.79739	0.3
72.99186	0.4
73.02802	1.0
75.00760	0.2
78.95786	0.3
80.02544	0.5
80.37084	0.2
80.96375	0.9
81.03323	0.9
82.95299	1.6
83.01243	0.3
83.04882	0.8
85.02801	1.2
87.00738	0.8
87.66058	0.2
88.05733	0.2
89.02309	3.1
95.01315	0.3
95.04913	0.6
96.95884	0.5
97.02882	0.2
97.06444	0.4
98.03598	0.5
99.00754	0.3
101.02316	3.8
101.90356	0.2
106.04122	0.6
107.04897	0.4
109.06467	8.1
109.61423	0.3
111.00681	0.2
111.04388	2.4
111.08006	1.7
113.02306	1.9
113.09591	0.3
119.03377	0.9
121.10145	0.5
123.04398	0.2
123.08056	1.0
125.02323	0.2
127.07506	0.9
135.11707	0.3
137.06053	0.2
137.09593	0.9
138.88953	0.2
141.09138	0.2
143.03372	0.4
143.10655	0.9
145.04942	0.5
145.06483	1.7
149.04474	0.2
149.09604	0.9
151.11217	0.8
159.08005	0.4
161.04417	1.7
163.11191	0.3
166.77315	0.2
167.10709	2.1
171.10149	0.8
177.09209	0.3
177.12738	0.8
179.05501	0.7
179.10693	0.8
179.14282	0.4
181.12228	0.8
191.14389	0.5
195.12027	0.5
195.13814	8.2
196.14420	0.7
205.12291	0.6
205.15820	0.3
205.78265	0.2
209.11786	0.3
211.13322	0.8
215.14413	0.2
217.15996	0.3
217.69858	0.2
223.13336	4.7
225.14833	0.5
228.13594	0.8
231.21040	0.6
233.15341	0.5
235.08170	3.0
235.13379	0.6
245.19058	3.6
251.16470	0.8
253.09236	15.5
254.09811	0.5
256.13129	0.9
261.18658	0.4
263.20029	0.3
265.21759	0.3
271.16992	0.9
275.20132	5.2
277.21649	0.4
277.24960	0.2
287.16565	1.5
289.18076	100.0
290.18436	6.7
291.19614	1.0
293.21204	75.1
294.21545	4.6
307.19153	5.3
309.20822	0.5
492.22211	0.4
525.26898	3.6
526.27069	0.5
529.30035	0.4
750.41748	0.3
819.40503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	11.7
59.01232	6.3
59.30417	6.1
69.58293	32.4
69.58698	11.7
71.01285	9.9
87.66013	6.1
93.03341	18.0
96.95879	9.8
107.04906	7.4
109.02836	6.6
112.09317	5.7
119.04893	66.2
123.00730	8.2
125.02306	62.7
146.73064	6.4
149.05965	13.2
150.03104	7.8
151.03885	9.7
161.02341	18.8
163.03915	96.2
164.04242	9.7
165.05484	100.0
165.52429	6.6
166.05772	12.0
169.01314	22.1
175.03845	9.3
193.04958	13.7
209.04549	12.1
224.06674	7.2
237.04001	11.3
243.02769	9.6
255.03009	9.4
300.02557	9.5
301.03400	9.5
401.09601	8.8
401.14441	71.9
417.08548	10.5
447.09518	14.2
584.78156	7.7
623.53619	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	819.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
58.00461	1.2
58.03243	0.3
59.01250	19.6
69.03319	1.4
69.53923	2.2
71.01252	17.6
72.99182	1.3
73.02818	2.4
75.00729	0.3
78.95776	0.7
80.02537	1.2
81.03337	2.3
83.01251	1.5
83.04897	5.4
84.02029	1.3
85.02824	4.2
85.99984	0.3
87.00751	3.9
89.02318	14.6
93.03379	0.4
95.01273	1.5
95.04911	0.9
96.95908	1.5
97.02839	2.9
98.27110	0.3
99.00775	0.9
101.02320	12.9
103.52699	0.3
109.06461	0.7
111.04379	0.6
113.02329	7.0
119.03387	3.8
121.02864	0.4
121.31744	0.3
123.04417	0.3
125.02336	6.0
125.05973	0.5
125.09677	0.3
130.72781	0.3
131.03348	0.6
133.04968	0.3
135.08051	1.1
139.03917	0.8
143.03395	2.4
145.05020	0.4
149.04504	0.4
149.09651	0.3
155.10704	0.3
161.04468	3.0
163.11188	4.7
164.11531	0.4
165.12788	2.7
167.03429	0.6
167.10672	0.5
167.14299	0.8
171.10175	0.9
179.05537	3.7
181.12292	0.8
183.13840	6.2
191.10699	1.0
193.12231	1.5
199.06033	0.5
199.13368	0.6
209.11774	100.0
210.12123	5.2
211.13339	91.0
211.17519	0.6
212.13683	5.1
217.07158	0.5
219.05225	0.3
221.06627	1.4
225.14970	0.3
227.12837	16.8
228.13222	1.1
235.08203	4.4
249.14967	0.9
251.12920	0.5
253.09315	0.9
253.14426	0.4
263.07779	0.3
287.07758	1.7
305.08691	2.0
323.10001	1.4
354.83325	0.3
379.12482	6.3
380.12662	0.4
394.57889	0.3
397.13495	40.5
398.13779	2.5
403.24802	0.5
415.14560	10.3
416.14911	0.7
589.25037	0.7
591.26447	1.9
607.26154	1.2
609.27625	3.1
610.27527	0.5
783.37683	0.7
801.39313	0.5
819.39978	0.7
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
59.01245	0.3
61.98701	100.0
62.98393	0.2
70.86371	0.3
71.01269	0.4
77.16581	0.1
78.93152	0.1
78.95792	0.4
80.96394	0.2
87.00780	0.1
89.02325	0.2
95.24059	0.1
96.95892	0.2
97.02872	0.1
101.02301	0.2
113.02345	0.2
117.75755	0.1
171.10205	0.2
197.11731	0.3
207.10374	0.1
209.11789	1.1
210.12099	0.2
211.13332	1.2
212.13579	0.1
223.13245	0.1
225.11301	0.3
227.12839	0.1
235.08185	0.2
276.07111	0.1
309.20868	0.2
397.13535	0.2
669.75098	0.1
818.48376	0.4
819.38696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.5
61.98699	100.0
62.98417	0.2
69.03333	0.1
69.28271	0.5
69.28696	0.8
71.01268	0.3
75.00713	0.3
78.95786	0.3
80.96378	0.1
85.02836	0.1
89.02312	0.3
90.71273	0.1
96.95884	0.9
97.06506	0.2
101.02341	0.3
109.06551	0.2
119.08623	0.2
125.09611	0.2
135.08121	0.1
137.09601	0.1
171.10196	0.4
185.11781	0.4
195.13756	0.3
197.11830	0.2
199.49077	0.1
207.10318	0.2
209.11830	0.4
211.13324	1.6
212.13725	0.7
213.13914	0.4
214.14151	0.2
214.23207	0.1
223.13434	0.3
225.11473	0.1
227.12811	0.2
235.08322	0.2
253.09387	0.5
277.21887	0.1
289.18057	1.1
290.18298	0.3
291.19626	1.1
292.20135	0.4
293.21240	1.5
294.21738	0.4
295.21774	0.3
307.19324	0.5
330.83719	0.1
436.02792	0.1
598.44379	0.2
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
57.55700	0.2
59.01242	1.2
60.61451	0.2
61.98698	100.0
70.07697	0.3
70.08056	0.7
71.01257	0.7
75.00761	0.2
78.95772	0.4
81.03334	0.2
83.04916	0.2
87.00760	0.2
89.02329	0.7
93.60123	0.1
97.02850	0.2
97.06497	0.3
101.02333	0.5
111.08041	0.4
113.02312	0.3
125.09642	0.4
137.09630	0.3
161.04387	0.2
163.11174	0.6
171.10223	0.5
179.05586	0.2
181.12236	0.2
185.11777	0.5
191.14380	0.6
195.13870	0.6
197.11748	0.9
204.04170	0.2
207.10188	0.3
209.11804	1.8
210.12181	0.6
211.13429	0.4
223.13333	0.3
227.12903	0.2
228.13737	0.2
235.08261	0.5
237.11334	0.5
241.01369	0.2
243.46748	0.2
245.19095	1.2
247.20657	0.2
253.09242	1.7
263.20248	0.5
273.18552	0.2
275.20074	0.8
277.21854	0.6
278.22128	0.5
279.22559	0.3
289.18094	5.0
291.19641	3.8
293.21207	6.8
307.19107	4.6
307.22537	0.3
309.20663	2.4
361.11310	0.2
438.04556	0.2
527.28821	0.3
543.28400	0.3
545.30096	0.3
819.48914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4746
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.8
59.01254	7.7
61.98698	3.5
71.01257	6.2
71.04894	8.6
71.56353	1.1
72.99226	0.9
73.02798	0.9
78.95778	5.5
80.12888	0.6
81.03342	0.8
83.01251	1.0
83.04897	1.3
85.02821	1.7
87.00778	1.9
89.02299	3.7
93.03337	1.2
95.01218	0.7
95.04904	7.0
96.96840	0.8
101.02301	4.8
109.06480	7.7
113.02321	2.6
119.03390	1.4
121.06464	2.2
122.03619	1.8
123.08149	0.6
125.02293	1.2
127.07517	1.0
135.08011	1.1
135.51132	0.6
139.07584	0.8
146.45137	0.7
147.04437	1.3
147.08037	1.7
151.07513	0.8
152.99506	1.3
161.04460	2.4
161.05876	1.1
161.16086	0.8
165.09143	4.6
171.10170	2.1
172.60785	0.6
175.07582	1.0
179.14388	1.3
189.12770	5.8
195.13846	7.9
196.14412	0.9
205.12259	0.8
205.15874	3.0
207.10143	1.1
209.11847	0.8
211.13338	1.7
223.13347	5.8
224.13789	0.9
228.13640	0.7
231.13870	1.5
233.11795	2.4
235.08208	2.3
235.13387	0.8
241.01085	2.1
243.17488	5.4
249.14893	3.5
253.09251	20.5
254.09529	1.0
255.23286	1.3
256.13095	1.2
256.23517	0.9
261.18561	1.1
269.15274	1.2
275.20041	6.2
287.16513	42.6
288.16812	3.5
289.15085	0.7
289.18112	2.8
291.19620	3.9
293.21213	100.0
294.21573	7.8
305.17566	86.4
306.17844	6.6
307.19016	1.5
360.73581	0.7
378.26950	0.7
384.02051	0.7
522.02020	0.7
523.25531	1.6
541.26648	2.6
603.61121	0.8
700.38666	0.8
799.42487	2.8
817.47455	1.0
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
59.01237	0.8
61.98699	100.0
71.01270	0.2
73.02792	0.1
75.00747	0.1
75.74315	0.1
78.95776	0.2
80.96407	0.5
81.03298	0.2
85.02828	0.2
96.95870	0.2
98.19793	0.6
101.02338	0.2
113.02314	0.1
116.92738	0.3
141.01579	0.2
143.03500	0.1
169.12239	0.3
169.98926	0.1
171.10243	0.2
186.33203	0.1
197.11732	0.8
199.13319	0.3
209.11766	0.9
210.12161	0.3
211.13364	0.8
223.13371	0.4
225.11383	0.1
227.12817	0.3
253.09370	0.2
273.17111	0.2
287.16620	0.2
289.18100	0.4
291.19547	0.3
307.19257	0.2
308.19437	0.2
309.20642	0.6
310.20999	0.2
397.13406	0.2
514.13550	0.2
621.70868	0.2
808.55902	0.2
817.38031	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	0.8
58.81212	0.4
59.01232	0.6
71.09641	1.0
72.00646	0.4
72.99179	20.6
75.00716	0.6
79.10217	0.4
91.05398	5.9
101.58886	0.4
115.05432	2.8
117.03335	4.5
125.02307	2.3
131.04886	4.3
133.06488	5.3
135.04402	1.2
147.04422	1.8
149.05983	40.6
150.06328	1.5
159.04411	1.0
161.02327	0.8
163.03915	10.9
175.04024	0.6
177.05473	10.5
178.05820	0.5
193.04951	1.6
195.06499	0.6
221.89456	0.4
223.08598	0.5
236.69812	0.4
239.05566	100.0
240.05867	5.6
245.07918	0.4
289.07111	1.6
351.20209	0.4
407.07599	1.7
425.08896	1.7
451.10400	0.9
461.09750	0.6
577.13434	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	817.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01595	1.1
61.98700	33.0
69.03323	0.3
69.42301	2.8
70.52617	0.3
71.01263	3.4
73.02831	0.8
75.00734	0.4
78.95796	0.6
80.96391	1.0
85.02823	0.6
87.00733	0.5
89.02319	1.7
96.99187	1.2
97.02818	0.7
101.02304	2.3
106.26342	0.3
111.20498	0.3
113.02324	1.1
119.03428	0.6
125.02316	1.1
135.55156	0.4
141.01591	54.7
142.01895	0.7
142.33467	0.3
143.03357	0.4
153.01540	0.4
161.04439	0.5
165.01630	0.3
197.11772	2.3
207.10229	0.5
209.11601	0.7
211.13327	2.2
225.11255	0.6
235.08167	1.1
243.04860	0.7
253.09357	0.7
257.06241	0.4
277.21719	5.4
278.21915	0.5
291.19556	0.6
309.20624	0.6
359.21991	4.3
397.13501	10.9
398.13882	1.1
415.14832	2.4
419.11667	1.9
437.12695	3.7
469.06177	0.6
520.04620	0.4
560.28418	0.4
593.10217	0.4
675.35370	0.7
697.33905	1.7
817.37915	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80706	0.4
59.01249	100.0
60.01582	1.1
61.98700	17.2
67.42587	0.4
71.01248	3.2
72.82335	0.3
72.99198	0.7
73.02826	1.0
75.00751	0.8
76.09754	0.3
76.27794	0.4
78.95759	0.9
80.96401	1.0
81.55629	0.3
83.01283	0.6
85.02826	1.1
87.00771	1.0
89.02303	2.5
92.65586	0.3
95.01261	0.5
97.02848	1.1
101.02306	3.1
113.02311	1.7
116.92785	0.4
119.03384	0.6
125.02337	1.5
125.18389	0.3
141.01590	53.3
142.01909	0.8
143.03433	0.4
152.99487	0.4
161.04488	0.6
171.10115	0.4
179.05563	0.6
197.11768	5.6
197.72484	0.3
207.10201	0.6
209.11755	3.8
211.13335	2.9
223.13422	0.7
225.00757	0.5
225.11276	0.7
227.12833	0.6
229.29117	0.4
235.08183	1.3
243.04953	0.6
253.09315	1.4
257.06424	0.5
277.21719	6.4
291.19638	1.3
293.21179	2.1
295.22708	0.6
309.20834	2.3
345.07843	0.4
359.22055	4.1
397.13480	11.9
398.13608	1.0
415.14606	2.4
419.11490	2.1
433.20544	0.6
437.12695	4.0
438.12964	0.5
469.06650	0.5
532.19904	0.4
543.30341	0.4
644.08197	0.4
675.36432	0.6
697.34741	1.6
721.61401	0.4
817.37872	1.7
817.52350	0.6
818.39148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4797
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.5
59.01249	8.5
61.72533	0.4
61.98701	3.8
62.27669	0.4
66.16751	0.4
70.14616	0.4
71.01254	3.1
72.99184	0.8
74.87042	0.4
75.00738	1.7
78.95760	2.1
83.01267	0.6
83.04872	0.6
85.02824	1.0
87.00772	0.7
89.02321	1.9
101.02322	2.3
111.08067	0.5
113.02332	1.7
113.09625	0.5
125.02297	0.6
138.75484	0.5
152.99428	0.6
161.04485	1.5
171.10156	2.9
183.13818	5.9
193.12207	1.4
195.13846	5.0
209.11783	0.5
211.13327	100.0
212.13710	5.6
223.13306	2.9
228.13542	0.5
235.08203	3.1
253.09253	11.9
275.20123	6.0
293.21204	49.1
293.47522	0.5
294.21527	4.1
311.22247	0.8
398.65433	0.5
405.89975	0.5
438.20941	0.5
447.22354	9.2
448.22717	1.2
487.34515	0.8
511.29880	0.7
529.30157	1.9
683.62787	0.6
723.43726	1.0
787.75037	0.5
815.38971	0.6
816.49670	1.2
836.92682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	4.5
61.98687	1.3
67.24635	0.8
71.01260	3.0
78.95782	3.0
80.02541	1.1
81.03326	1.1
83.01275	0.9
83.04889	5.2
88.98688	1.5
89.02324	2.1
98.20671	1.7
101.02312	2.3
113.02322	1.4
115.79720	0.8
119.03418	0.8
128.17320	0.8
128.23361	0.7
135.08086	1.0
161.04550	1.0
163.11244	4.6
165.12767	1.8
165.41306	0.8
171.10277	1.2
190.42223	0.8
191.10725	1.3
209.11763	100.0
210.12085	5.9
227.12802	12.3
228.12915	1.0
235.08232	3.9
241.01228	1.6
253.09242	6.7
255.23326	2.1
277.21710	73.0
278.22055	6.7
279.23370	1.0
293.80948	0.8
445.20728	2.7
513.30603	0.9
590.23645	1.0
797.40759	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	815.516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71339	1.7
57.03308	3.4
59.01249	11.2
61.98686	2.0
68.47584	1.9
69.98999	8.7
71.01251	14.3
72.99161	3.9
73.61423	1.9
75.00738	15.9
85.02816	20.8
87.00750	8.5
88.60153	1.7
90.96237	1.6
95.01244	3.6
99.00737	10.3
109.05025	1.8
113.01730	1.6
113.02322	17.2
118.81533	1.8
162.23761	2.0
171.10161	10.5
211.13341	6.3
255.23274	64.1
256.23529	4.6
327.21841	5.1
700.64429	2.0
762.20782	2.3
815.51544	100.0
816.52026	16.9
828.08142	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	815.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	0.8
58.00454	1.1
59.01249	23.0
61.98418	0.4
61.98694	2.9
62.78109	0.4
63.51362	0.4
69.03301	3.6
70.35837	0.4
70.87070	1.0
70.87410	0.4
71.01253	21.2
71.04890	0.7
72.99188	2.1
73.02811	3.6
75.00734	1.3
79.95589	0.6
81.03342	0.8
83.01253	1.9
83.04910	0.8
85.02822	4.7
85.06467	0.5
87.00749	4.4
88.15858	0.4
89.02317	18.0
93.03316	0.4
95.01257	1.2
96.95898	2.8
97.02829	3.4
97.06449	0.6
99.00746	0.9
101.02319	15.2
109.06561	0.4
111.00768	0.5
111.04387	0.8
113.02323	8.9
115.03922	0.5
119.03367	4.4
121.02821	0.5
125.02342	6.0
130.70946	0.5
131.03357	0.6
135.11696	0.8
139.03915	0.8
141.01715	0.9
143.03409	2.8
146.55501	0.4
149.09601	0.6
161.04446	3.8
164.61087	0.4
165.12747	0.4
167.03432	0.7
167.10704	3.0
167.14304	1.2
171.10236	0.5
177.12703	0.5
179.05519	6.1
179.10733	1.0
179.14362	3.0
183.13831	7.3
184.13986	0.6
193.12251	2.6
195.13835	8.8
196.14183	0.6
197.11803	1.2
199.13412	1.0
205.12253	7.6
207.72919	0.4
209.11746	3.1
211.13332	100.0
212.13680	5.1
217.07155	0.8
219.05049	0.4
221.06590	1.7
223.13342	83.2
224.13660	5.6
227.12860	1.3
235.08167	5.3
253.09270	1.6
263.07483	0.6
265.14218	0.5
268.39816	0.4
273.24487	0.5
287.07709	1.9
291.19598	0.8
305.08716	1.7
309.20731	2.2
323.09909	1.9
338.82556	0.4
379.12384	7.7
397.13483	44.1
398.13791	2.6
415.14548	9.4
416.14914	0.7
417.26477	1.9
591.26563	3.3
593.93835	0.5
603.26611	6.3
604.27045	0.7
609.27533	4.2
610.28613	0.7
621.27539	7.8
622.27905	1.0
771.38593	0.5
797.40021	2.7
798.39862	0.5
815.40582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03053	0.3
57.03313	1.4
57.75943	0.3
58.00468	1.4
58.90193	0.3
59.01252	24.6
60.01595	0.4
60.21609	0.3
61.98697	1.6
68.99674	0.3
69.03309	4.2
71.01251	18.9
71.04872	0.5
72.01576	0.3
72.99175	1.7
73.02817	2.7
75.00751	0.8
81.03326	1.2
83.01261	1.8
83.04900	0.8
85.02824	4.4
85.06466	0.5
87.00754	4.7
89.02315	18.0
90.02676	0.3
91.03896	0.4
93.03339	0.5
95.01269	1.7
95.04877	0.4
96.95895	2.5
97.02827	2.7
97.06492	0.4
99.00751	0.9
101.02322	15.2
102.02655	0.3
109.02872	0.5
109.06496	0.6
111.00720	0.4
111.04409	0.5
113.02333	9.5
113.03149	0.5
119.03392	5.4
121.02778	0.3
125.02332	5.8
125.09593	0.3
131.03397	0.9
133.04906	0.5
137.09735	0.3
139.03912	0.7
141.01779	0.4
143.03397	2.6
145.04997	0.5
149.04457	0.5
149.09579	0.4
153.49522	0.3
161.04454	4.4
161.13266	0.3
163.03874	0.3
164.15585	0.3
165.12779	0.4
167.03433	0.6
167.10703	3.2
167.14305	0.5
179.05536	6.1
179.10704	1.0
179.14355	3.4
183.12204	0.5
183.13818	8.2
185.04492	0.7
193.12251	2.4
193.87695	0.3
195.13831	10.4
196.14131	0.4
199.06001	0.4
199.13400	0.4
205.12270	8.0
209.11867	1.6
211.13333	100.0
212.13683	5.7
217.07100	0.7
221.06624	2.2
223.13341	83.6
224.13676	4.7
227.12788	0.6
235.08208	4.6
245.06540	0.4
245.47052	0.4
253.09258	1.3
259.08231	0.4
263.07651	0.7
265.14395	0.4
269.71594	0.3
287.07861	1.4
291.19604	0.4
305.08734	1.7
309.20688	1.0
323.09760	1.6
379.12442	6.3
391.46451	0.3
397.13477	42.6
398.13766	2.4
399.25418	0.4
415.14575	8.6
416.14746	0.4
417.26489	2.0
459.27682	0.3
591.26483	3.2
603.26440	5.5
603.35291	0.5
604.26428	0.4
609.27679	4.4
610.28363	0.4
621.27679	7.6
622.27716	0.9
771.37531	0.5
797.39508	2.7
798.40594	0.6
815.40521	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	814.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.3
59.54361	0.2
61.98700	100.0
68.14014	0.1
71.01254	0.2
75.00751	0.4
78.95792	0.4
84.10596	0.2
89.02327	0.2
96.95921	0.2
98.19728	0.3
103.02278	0.2
125.02353	0.4
183.42696	0.2
185.11629	0.2
195.13841	0.2
197.11839	0.2
199.13426	0.3
209.11880	0.2
211.13336	1.7
223.13361	0.3
225.29105	0.2
227.12874	0.5
253.09358	0.5
287.12720	0.3
289.18228	0.4
291.19711	0.6
293.21362	0.7
307.19064	0.2
309.20700	0.6
311.22488	0.4
341.27045	0.2
643.57336	0.2
814.49115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.5
58.00444	1.2
59.01250	23.9
61.98697	1.6
69.03307	3.5
71.01251	20.8
71.04884	0.4
72.99172	2.3
73.02813	2.6
73.03912	0.3
75.00727	0.4
79.99877	0.3
81.03310	0.8
83.01259	2.1
83.04872	1.0
85.02821	4.5
85.06449	0.5
87.00744	4.3
89.02315	16.9
92.81171	0.3
93.03315	0.3
95.01258	1.7
95.04890	0.6
96.95879	1.1
97.02824	2.2
99.00735	0.9
101.02320	15.1
101.02995	0.8
107.04347	0.3
109.06464	0.8
111.00742	0.5
111.04383	0.9
111.08046	0.3
113.02328	8.0
115.03854	0.5
119.03378	3.8
125.02345	6.0
125.09569	0.3
131.03368	0.9
133.04913	0.4
135.94464	0.3
137.02458	0.3
137.93513	0.3
139.03854	0.7
141.01714	0.4
143.03389	2.4
145.04892	0.4
149.04451	0.5
149.09572	0.5
161.04474	3.3
167.03464	0.4
167.10686	3.7
167.14310	1.0
177.12758	0.4
179.05557	5.5
179.10684	1.3
179.14305	3.6
183.13815	7.6
184.14198	0.5
185.11749	0.4
193.12286	2.0
195.13844	9.9
196.14145	0.5
197.11716	0.9
199.13361	0.8
205.12276	7.5
206.12497	0.7
209.11749	1.4
211.13329	100.0
212.13693	5.2
213.15088	0.3
217.07066	0.8
221.06685	1.9
223.13342	85.2
224.13657	5.0
227.12793	1.7
235.08176	5.0
236.08286	0.4
252.46458	0.3
253.09267	1.5
253.14388	0.3
259.08209	0.6
263.07837	0.7
287.07770	1.6
291.19641	0.9
305.08701	2.1
309.20731	1.7
323.09775	1.5
379.12418	6.3
380.13208	0.3
397.13489	40.6
398.13751	3.0
399.25284	0.5
415.14529	8.9
416.14609	0.5
417.26395	1.8
520.59790	0.4
591.26776	2.9
592.27100	0.5
603.26428	5.3
604.27338	0.9
605.89197	0.4
609.27435	4.0
610.28058	0.6
621.27515	7.7
622.28357	1.2
771.38727	0.4
797.39459	2.6
798.40094	0.6
815.41241	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	814.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
61.98699	100.0
62.98402	0.1
67.19532	0.1
69.03323	0.1
69.44954	0.8
71.01275	0.2
72.99194	0.2
75.00728	0.6
78.95771	0.3
80.96411	0.1
83.01278	0.1
89.02349	0.1
97.02824	0.1
98.19820	0.2
101.02338	0.2
111.08047	0.1
117.14877	0.1
145.17540	0.1
157.06438	0.1
167.10658	0.1
181.12553	0.1
184.95091	0.1
195.13893	0.2
196.14270	0.1
197.11746	0.7
198.12105	0.3
199.13399	0.1
205.12369	0.2
209.11893	0.3
211.13359	0.4
212.13747	0.1
223.13374	1.1
223.56073	0.1
224.13644	0.8
225.13980	0.3
227.12904	0.2
235.08153	0.2
253.09319	0.3
289.18030	0.2
291.19666	0.2
292.20035	0.1
293.21100	0.1
307.19327	0.2
308.19492	0.1
309.20557	0.5
310.21066	0.4
311.21423	0.3
518.35278	0.1
754.44934	0.3
814.48761	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.8
59.01248	29.7
61.98703	27.0
66.50794	2.5
71.01254	13.0
72.99163	2.8
75.00729	5.4
78.95765	7.6
82.01410	3.2
85.02806	4.8
87.00740	5.0
89.02305	6.2
96.95903	5.3
97.02847	2.9
101.02303	5.6
109.98434	2.7
113.02328	5.1
116.92717	3.8
125.02316	7.5
129.09073	4.5
135.86975	3.1
161.04448	4.8
163.11221	3.9
165.12726	2.9
167.10658	4.2
179.05574	3.1
181.12292	5.1
195.13745	11.3
197.11769	16.5
199.13216	4.8
201.11276	6.3
205.12254	9.2
207.10170	7.6
209.11795	19.9
211.13344	25.9
223.13335	93.8
224.13736	6.7
225.11163	8.2
235.08144	9.1
253.09244	22.8
277.21640	11.9
289.17816	2.9
291.19644	10.6
293.21194	18.2
309.20755	8.3
311.22226	100.0
312.22452	4.0
459.22223	10.0
517.35059	9.9
535.36322	3.4
547.31030	5.7
753.44232	17.9
814.47766	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	813.5001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	13.4
69.45711	30.6
69.46121	12.0
71.01264	27.5
72.99152	9.5
75.00753	22.8
79.63510	5.2
80.96400	14.5
85.02804	28.2
87.00777	9.5
96.95879	9.7
98.19767	7.5
99.00762	10.1
99.03703	5.5
113.02319	19.7
116.92719	13.5
255.23257	68.3
426.53690	6.5
440.65497	5.6
596.39026	6.2
709.37714	6.3
762.93353	6.1
813.50201	100.0
814.50214	20.7
845.48181	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	813.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.9
59.01248	13.8
61.98698	71.8
69.03320	2.2
70.85661	3.8
71.01247	10.4
73.02802	1.5
74.55582	1.1
75.00742	9.0
75.15766	1.1
78.95747	1.6
79.49399	1.6
80.02527	1.6
81.03327	2.2
83.01254	2.0
83.04890	4.9
85.02808	2.2
86.06245	1.1
87.00746	4.7
89.02324	3.2
89.59330	1.4
90.91366	1.4
92.60143	1.3
95.04903	2.2
96.95897	1.7
97.06464	3.1
101.02313	5.3
109.06487	2.1
111.08012	1.7
113.02321	3.1
121.77915	1.3
125.02360	1.3
125.09586	4.1
137.09534	1.6
143.03331	1.6
145.72418	1.2
151.11142	2.8
161.04398	2.4
161.07835	1.3
163.11185	6.5
165.12793	6.2
165.14098	1.3
171.10159	2.4
179.10658	2.4
179.87488	1.2
181.12248	5.8
181.16542	1.3
183.13828	1.6
185.11696	1.8
191.10707	1.7
191.14310	3.9
197.11818	3.5
205.12215	2.1
205.37346	1.5
207.10182	2.9
209.11758	100.0
210.12068	5.6
211.13324	9.0
223.13370	3.9
224.13684	1.4
225.11205	2.6
227.12839	17.9
235.08257	4.6
245.19011	4.4
253.09256	9.4
263.20041	5.5
289.18109	15.9
290.18301	1.6
291.19650	4.1
293.21237	1.9
307.19119	32.1
308.19293	2.0
309.20615	1.6
445.20862	6.6
517.35388	5.2
543.28149	6.3
643.94440	1.5
735.39783	2.6
753.44421	16.9
754.44110	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	812.5082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	8.3
61.98692	4.1
64.13237	1.9
71.56239	2.5
72.99160	3.1
75.00735	3.1
78.95776	52.8
85.02863	2.1
88.98662	5.7
89.02296	2.3
91.21203	2.2
96.95860	3.1
101.25392	2.0
101.94481	2.4
111.07983	2.3
168.04185	10.1
171.10208	10.5
174.88394	2.1
179.14314	4.3
183.13876	3.6
193.12398	3.0
195.13847	11.6
197.11748	9.4
209.11938	2.6
211.13348	40.2
223.13348	7.6
224.06891	7.0
253.09343	3.7
255.23311	2.4
275.20093	6.0
277.21716	59.2
278.22125	6.0
291.19571	16.3
293.21204	94.9
294.21570	5.6
295.22684	22.6
309.20688	7.3
311.22299	40.3
312.22787	3.3
323.22141	4.8
327.21716	6.6
347.70947	2.4
460.79208	2.5
518.28479	2.6
527.28448	3.5
536.29828	6.4
627.59991	2.4
630.75739	2.3
721.41351	2.6
745.49097	2.9
812.50842	100.0
813.51508	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	813.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	8.0
61.98695	5.5
67.22926	0.9
71.01245	4.4
76.51520	1.0
81.03312	2.3
83.01254	1.3
83.04894	4.6
85.02824	1.1
85.91560	0.9
89.02306	3.2
94.62453	1.0
95.01272	1.3
95.04918	0.9
96.95874	2.4
97.02815	2.2
97.06409	1.2
101.02326	5.1
105.53635	1.1
107.06999	0.9
109.06437	4.9
111.08009	1.3
113.02284	2.5
119.03302	1.1
123.04387	1.6
125.09594	3.5
135.08023	1.7
137.09534	1.1
161.04532	1.0
163.11232	7.9
165.12756	2.5
171.10124	2.0
185.11754	3.4
191.10663	1.2
191.14360	4.0
197.11728	2.3
207.10225	12.2
209.11765	100.0
210.12048	6.7
211.13324	4.3
225.11208	5.4
227.12846	13.5
235.08154	3.7
237.11079	1.2
245.19044	7.0
253.09277	13.4
263.20169	2.0
271.17035	1.7
289.14758	1.7
289.18076	35.1
290.18201	3.0
291.19681	1.8
307.19159	33.1
308.19485	3.0
309.20749	7.0
443.18951	1.2
445.20609	1.5
453.42563	1.2
501.17282	1.1
543.28363	1.6
753.40240	3.0
778.53394	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4486
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	6.2
59.01249	23.6
60.11229	6.0
61.98704	70.7
62.09018	5.2
63.10234	6.5
71.01240	15.7
72.74567	6.0
73.74453	5.8
78.95756	9.2
83.04866	6.6
85.02830	13.6
87.00728	7.3
89.02319	7.7
101.02297	12.9
115.65678	6.7
116.92751	9.0
119.22482	6.5
128.55489	6.4
147.36584	6.1
161.04486	7.3
171.10208	15.7
177.12752	9.7
195.13824	26.5
209.11754	11.6
211.13220	14.7
216.04752	7.2
221.11772	100.0
223.13338	85.2
224.13704	13.5
229.69128	9.0
235.08095	12.5
239.12895	61.5
253.09331	36.3
275.20135	9.9
291.19653	30.3
293.21249	98.6
294.21423	11.1
309.20767	60.2
310.20920	7.2
362.55481	6.5
434.02924	7.5
459.22321	9.3
475.21658	12.1
545.29254	10.2
702.72223	6.9
751.42810	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49004	0.2
59.01254	1.0
60.72001	0.2
61.98702	100.0
71.14294	0.5
75.00735	0.3
78.95784	0.2
80.96421	0.3
87.00762	0.2
90.63285	0.2
103.20953	0.2
103.96748	0.2
134.41386	0.2
166.78740	0.2
170.04364	0.2
171.10234	0.2
205.12364	0.2
206.12592	0.2
209.11874	0.6
211.13399	0.4
223.13359	2.1
224.13702	1.5
225.13895	0.4
226.14258	0.3
248.06390	0.2
253.09363	0.4
277.21811	0.4
289.18115	0.6
290.18530	0.7
291.19055	0.4
307.19205	0.6
308.19623	0.5
309.20096	0.3
332.01700	0.2
361.62045	0.2
799.14801	0.2
839.86578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.8
59.01247	22.3
60.53045	1.2
61.98694	4.1
69.03328	3.1
71.01244	6.3
71.04877	1.6
71.32304	1.1
71.56205	1.1
72.49593	1.2
73.02822	1.2
78.95787	2.0
83.04929	1.5
85.02803	2.0
87.00729	2.2
87.74538	1.0
89.02314	3.5
96.95889	1.1
97.06474	2.6
101.02333	5.2
113.02338	1.8
119.03294	1.1
123.04392	1.1
125.02336	3.4
125.09647	3.5
149.09700	1.3
151.11107	1.4
163.11186	3.3
165.12772	2.1
167.10698	3.0
179.10651	1.6
179.14365	3.5
181.12202	2.4
185.11732	3.9
191.14337	3.1
192.57849	1.1
195.13818	9.9
205.12279	12.9
207.10245	1.2
209.11801	12.0
211.13333	2.3
217.15930	1.3
223.13342	100.0
224.13672	4.8
225.11288	2.2
235.08194	4.5
245.19080	6.8
253.09286	11.0
263.19876	1.4
271.17050	1.3
276.68756	1.3
285.69464	1.0
289.18079	38.8
290.18433	3.9
293.21140	2.4
307.19141	35.0
308.19592	2.7
445.20721	1.6
459.22235	9.4
479.27719	1.1
495.30942	1.8
525.27380	1.6
543.28308	2.0
589.70148	1.3
633.32965	1.8
749.41302	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	809.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.4
59.01250	26.7
67.01755	0.6
69.03314	2.8
71.01250	7.0
71.04882	1.4
72.08698	0.6
73.02845	0.7
73.65417	0.7
75.38969	0.7
78.95742	0.7
81.03346	0.6
83.01256	2.5
83.04919	1.2
85.02825	2.0
87.00746	1.4
89.02312	4.7
95.04905	1.6
97.02818	2.2
97.06444	3.4
99.00726	0.7
99.08010	0.7
100.28004	0.6
101.02329	6.4
107.04894	0.8
109.06458	0.9
111.08087	1.0
113.02314	3.2
119.03410	1.0
123.04395	1.7
123.08075	1.1
125.09608	6.1
135.08066	2.3
137.09618	2.9
141.09091	1.1
141.12726	0.8
145.04912	1.4
147.19843	0.6
149.09612	1.1
161.04420	2.3
163.11235	5.9
165.12758	0.8
167.10728	3.8
177.12794	1.3
179.05536	1.0
179.10706	1.5
179.14377	3.7
185.11768	6.5
187.11151	0.9
191.10646	0.6
191.14349	5.4
194.36778	0.6
195.13858	11.3
196.14178	0.9
205.12280	10.0
207.10251	3.1
209.11761	16.1
210.12164	0.9
211.13312	1.5
217.16057	0.7
223.13347	100.0
224.13643	4.6
225.11229	1.9
229.64548	1.0
235.08179	5.1
237.11302	2.0
245.19089	11.2
253.09277	16.2
263.20087	3.8
271.16977	2.1
281.21588	1.0
289.18094	61.2
290.18423	4.2
307.19144	56.9
308.19482	4.1
393.93588	0.7
397.23816	1.5
415.24863	2.0
459.22369	5.9
495.31192	2.1
513.32147	2.5
525.27246	1.8
531.33203	1.1
543.27875	1.7
633.32617	6.7
634.33203	1.3
651.34009	2.2
713.39221	2.6
731.40289	1.0
749.41187	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	809.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.2
58.00473	0.6
59.01249	25.0
69.03326	2.1
70.85632	1.2
70.85976	0.7
71.01249	7.0
73.02820	0.7
78.95783	0.9
80.76290	0.5
83.01261	0.9
83.04906	1.5
85.02837	1.3
85.05679	0.5
87.00747	1.6
89.02312	3.3
93.03336	0.8
94.38829	0.5
95.01232	0.7
95.04923	1.0
97.06479	4.4
98.03619	0.5
101.02319	4.5
109.06434	0.9
111.00723	0.7
111.08022	1.1
113.02320	2.4
116.92718	1.0
119.03397	1.1
123.08051	1.0
125.02298	1.0
125.09569	1.0
127.07481	0.6
136.45882	0.6
137.09697	0.5
145.04935	1.2
149.09598	1.2
151.11176	3.6
153.09067	0.9
153.12723	0.9
153.36372	0.5
155.10690	1.6
156.64787	0.6
157.29749	0.5
158.69722	0.6
161.04437	2.2
163.11203	1.1
165.12770	4.1
167.10674	3.9
169.12259	1.1
171.10168	1.0
177.12791	1.9
179.10678	2.3
179.14328	3.8
181.12248	3.9
183.13731	0.7
190.26033	0.5
191.10651	2.4
191.14313	0.7
195.13841	10.2
205.12294	11.7
207.13695	0.6
209.11760	14.3
210.11992	0.7
211.13295	1.1
223.13338	100.0
224.13654	5.4
227.12816	5.5
235.08165	5.7
239.12857	0.5
245.19077	4.7
246.19339	0.7
253.09270	8.4
263.20175	8.1
271.16953	1.3
279.19705	1.3
289.18097	11.2
290.18561	0.9
293.21274	0.5
307.19128	35.4
308.19629	2.6
365.75677	0.6
415.24911	0.8
427.19281	0.6
441.21600	0.8
445.20752	6.4
446.21381	0.6
459.22388	9.1
495.31216	0.8
525.27185	2.0
543.28156	6.4
543.36047	0.8
544.28455	0.9
595.30890	1.5
651.33411	2.9
731.40167	1.4
749.40796	2.8
750.41638	0.9
804.94690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.8
59.01246	13.2
63.57687	4.7
71.01250	8.9
78.95757	6.1
83.04884	4.6
85.02787	6.3
87.44620	5.1
93.03352	4.6
95.01242	6.2
96.95863	42.9
98.20597	8.6
101.02352	5.4
109.06544	4.7
114.09801	4.9
116.70419	4.6
116.92755	27.5
117.92741	5.3
125.02341	14.9
133.95560	4.4
139.00119	4.5
153.44353	5.1
171.10168	11.7
175.96208	4.7
183.13730	4.8
192.90990	4.2
197.11739	30.4
199.13284	8.6
201.11255	55.6
209.11749	100.0
210.12076	11.6
211.13350	16.7
223.13373	6.4
227.12785	38.2
228.13123	6.2
235.08115	6.7
253.09256	49.1
268.95932	4.6
271.33170	4.5
291.19641	20.3
309.20724	89.8
327.22098	4.8
397.13638	5.2
437.20532	10.0
445.20654	10.6
478.03748	5.4
500.62967	5.8
527.28418	5.8
545.29822	11.7
729.40167	7.0
755.41925	7.8
809.41077	37.0
810.41193	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	809.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03288	0.4
59.01248	0.6
61.58940	0.4
69.37245	4.2
81.03330	0.4
89.02306	0.4
93.03321	4.6
95.04903	0.4
96.95894	1.3
107.04924	0.5
109.02819	1.0
116.92760	1.2
121.02840	5.7
122.03615	16.5
122.10209	0.4
123.00765	0.6
123.04381	1.5
124.01573	0.5
125.02349	0.8
133.02840	1.9
134.03615	1.4
134.98328	0.4
135.02798	0.4
135.04340	0.8
136.01573	4.5
137.02335	2.9
146.03577	1.0
148.13951	0.5
149.02336	23.3
149.05980	1.2
150.03117	100.0
151.00235	1.8
151.03932	8.1
152.04715	0.7
158.74629	0.4
162.03130	0.8
164.04703	4.3
165.01808	2.4
165.05472	93.4
166.02641	5.7
166.05817	4.3
167.03394	0.9
175.03873	0.6
177.01900	0.8
177.05489	1.0
179.03453	0.7
179.07018	5.7
180.04201	7.4
181.04971	7.4
187.03984	0.9
193.04941	0.6
195.06540	68.3
196.06908	2.5
205.05014	1.5
209.11726	1.0
219.06516	0.7
220.07365	0.7
225.07591	1.0
256.14444	0.4
293.98779	0.5
306.90552	0.4
329.10458	0.7
373.12939	1.2
387.10214	0.7
387.14612	4.3
403.13522	0.6
416.14737	0.5
417.15533	7.5
421.15100	0.5
565.20624	12.5
566.20935	1.2
595.21954	1.1
613.22577	3.6
617.13068	0.6
713.25769	1.3
743.26740	0.6
761.28394	1.0
809.29938	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	809.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	5.8
63.37454	2.0
69.41897	10.2
69.42310	5.6
71.01259	7.2
72.99153	3.0
85.84845	1.9
86.27007	1.9
87.00766	7.2
88.98732	2.2
89.02315	4.6
96.95872	11.4
98.20612	3.6
101.02322	5.2
105.01784	1.9
113.02324	4.3
116.92741	8.9
123.00807	3.0
125.02328	6.6
151.03874	3.0
161.04448	4.6
163.03912	2.7
163.11162	2.7
169.01344	4.1
171.10175	8.7
177.91965	2.0
178.40863	1.9
179.05652	2.9
197.11763	5.4
201.11035	2.2
209.11757	100.0
210.12122	5.0
211.13356	10.1
227.12834	27.4
228.13065	2.8
229.14311	7.3
235.08116	21.2
253.09251	30.4
291.19626	4.2
309.20648	13.4
327.21738	84.9
328.22031	5.5
352.22778	2.1
397.13562	2.3
445.20486	12.9
545.29834	9.4
563.30682	13.3
564.30682	2.7
809.40942	36.9
810.39874	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	809.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.7
71.01261	1.0
71.58389	1.0
72.99216	0.5
77.23246	0.5
93.03321	4.7
95.01259	0.6
96.95904	1.8
101.06426	0.5
103.77361	0.5
108.02062	1.5
109.02853	2.1
116.92744	2.2
117.03424	0.7
119.04823	0.6
121.02841	6.7
122.03628	15.1
123.00779	1.3
123.04404	1.9
124.01548	0.8
125.02358	1.7
132.02045	0.9
133.02852	2.3
134.03625	2.7
135.04401	1.4
136.01563	6.0
137.02348	5.5
145.02829	1.6
146.03647	1.9
147.04402	1.5
149.02339	31.8
149.05963	3.5
150.03122	100.0
151.00261	2.4
151.03926	18.5
152.04636	1.0
153.05504	0.5
156.16754	0.6
161.02345	0.6
161.05995	1.2
162.03146	1.8
163.03915	1.1
164.04698	7.1
165.05472	86.6
166.02621	6.4
166.05835	2.0
167.03398	1.1
168.55006	0.5
176.90363	0.5
177.01820	1.2
177.05508	2.4
178.02628	0.7
178.61900	0.5
179.03366	1.0
179.07054	8.0
180.04233	5.8
181.04974	8.5
191.03311	0.7
192.04132	0.8
194.78584	0.6
195.06548	48.6
196.06871	2.1
205.05042	1.9
207.06566	0.7
209.11732	0.9
219.06506	1.7
220.07332	1.7
315.08612	0.8
329.10211	1.1
356.11948	0.8
367.11530	0.5
373.13110	0.8
387.14435	1.8
402.12848	0.8
403.13660	0.7
416.14700	1.4
417.15527	9.8
418.15656	0.9
438.35471	0.6
462.30148	0.6
535.17133	0.6
545.51703	0.5
550.18317	0.8
564.19757	2.2
565.20691	18.5
566.20972	2.0
583.21741	0.7
595.21637	2.2
613.23041	4.3
619.21960	0.9
667.23260	1.0
676.33337	0.7
713.25928	7.6
714.26190	1.7
743.27429	2.5
761.27777	1.6
791.28204	0.8
809.29968	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.9
71.01248	1.7
71.58075	0.5
75.00751	1.5
89.02322	0.8
89.73537	0.5
93.03323	3.5
95.01285	0.7
96.95893	3.5
98.95496	0.7
101.02313	0.9
102.01849	1.2
103.00255	2.3
108.02064	0.8
109.02808	0.9
116.92752	1.8
121.02847	6.1
122.03632	14.7
123.00762	0.7
123.04417	0.7
124.01526	0.9
124.07191	0.5
125.02292	1.0
129.01837	1.4
133.02937	1.2
135.02943	0.8
135.04379	0.8
136.01544	2.4
137.02304	0.9
145.02858	0.9
146.03712	0.9
149.02345	21.7
149.03546	1.2
150.03123	99.9
151.00264	1.1
151.03716	4.2
152.04553	0.6
161.02339	0.6
164.04723	4.3
165.05479	100.0
165.70274	0.6
166.02667	4.3
166.05826	3.4
169.01476	0.6
171.04587	0.6
171.10112	0.6
177.01878	0.6
177.05457	0.7
179.03278	0.6
179.07013	5.1
180.04236	6.5
181.04990	5.4
187.03917	0.6
191.03394	0.6
195.06554	83.0
196.06888	2.9
199.13344	1.7
200.13780	0.8
201.11253	0.7
209.11752	3.6
210.12068	1.2
219.06654	0.5
262.20319	0.7
309.19614	0.6
345.03400	0.7
349.86298	0.5
387.14395	2.1
397.13226	0.7
417.15411	8.3
418.16150	0.6
565.20831	3.1
595.21930	1.6
613.23047	2.7
761.28101	0.8
791.28168	0.6
809.29150	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	12.5
78.95768	19.5
83.11790	7.7
83.44333	7.4
88.15486	8.4
97.06435	8.5
101.02330	9.7
111.08028	7.3
135.08057	7.8
136.72485	6.0
152.73378	6.9
165.12796	7.1
197.11832	13.4
209.11754	100.0
211.13330	27.3
218.32109	6.8
223.13359	27.9
227.12857	15.6
253.09248	29.4
279.95670	7.6
293.21146	85.9
305.17557	9.6
309.20670	15.6
790.09979	8.3
807.42474	34.5
808.43896	11.6
834.40771	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	807.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	21.1
61.98695	14.7
66.30314	6.9
71.01247	29.9
71.56432	7.4
78.95771	22.3
85.02811	9.0
89.02378	6.4
96.95870	8.9
101.02322	13.2
109.06416	7.7
113.02289	10.3
117.66122	8.8
119.28306	7.9
126.58481	7.0
147.18745	8.6
163.11192	12.5
163.93420	6.8
166.81371	7.8
169.01390	9.5
171.10156	22.3
177.82692	8.8
179.10841	8.2
197.11734	9.6
207.10182	49.3
209.11745	40.7
211.13336	100.0
223.09737	13.6
223.13358	24.9
225.11302	33.1
227.12593	10.5
253.09267	24.9
291.19659	41.4
292.20190	9.1
293.21158	19.7
309.20709	39.0
323.22263	9.6
339.69141	9.7
445.19839	9.5
543.36047	8.6
807.42487	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	809.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01217	0.4
59.92292	0.2
67.01765	0.2
69.52006	1.9
71.01247	0.6
72.99175	23.9
75.00729	0.3
83.04845	0.3
87.00718	0.5
93.03330	1.6
94.89481	0.2
95.01274	0.3
95.05003	0.2
97.06461	5.5
98.19724	0.4
99.00742	0.9
103.00240	2.9
103.57111	0.2
107.04903	4.5
108.02046	4.1
109.02840	1.7
111.04373	1.0
112.05183	2.8
117.03340	0.7
119.04886	0.4
121.02836	21.6
121.70502	0.2
122.03669	4.2
123.04416	2.3
124.01527	0.3
125.02339	1.6
125.74904	0.2
133.02864	0.6
134.03653	0.4
135.04405	3.9
136.01506	0.5
137.02351	1.7
145.02832	1.6
146.03601	0.5
146.99257	1.1
147.00749	1.0
147.04408	0.7
149.02333	1.0
150.03065	0.6
151.03905	2.0
154.02559	0.3
161.02324	2.3
162.03101	0.3
163.03911	6.6
164.04688	2.2
169.01337	2.2
172.05135	0.3
175.07550	0.4
178.02594	0.5
179.03407	26.2
180.04150	4.4
181.04893	0.3
189.01799	1.1
191.10518	0.3
194.02141	0.8
201.09166	1.3
205.08600	0.4
206.02037	0.3
207.02917	3.6
208.03679	2.3
217.08554	0.4
219.06628	0.5
219.10251	1.4
229.08711	0.4
232.98627	0.3
233.08066	0.3
245.08177	0.8
270.03802	1.2
277.10776	8.4
278.11072	0.6
287.09238	0.3
289.07208	0.8
291.08734	3.9
292.09097	0.5
305.10291	2.4
321.09735	0.8
365.08740	0.8
366.09076	0.4
367.10284	100.0
368.10651	8.9
441.08331	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.2
57.42613	0.9
59.01247	19.3
61.98690	1.2
69.03315	3.8
69.25733	7.2
69.26151	3.6
71.01247	7.8
71.04893	12.4
73.02808	1.9
81.03326	1.4
83.04884	1.5
85.02817	1.8
87.00725	1.1
89.02309	3.9
94.00176	1.3
95.04901	7.4
96.95860	2.1
98.19824	2.1
101.02316	5.9
107.04895	1.6
109.06461	8.2
111.04340	1.3
111.08106	1.2
113.02340	2.7
121.06503	1.8
122.03617	2.2
124.13594	1.0
125.02350	2.2
136.01192	1.0
137.09613	1.0
145.04976	1.2
147.08028	2.6
149.09575	1.2
161.04457	2.6
161.09598	2.1
165.09096	5.0
167.10736	5.4
171.10126	1.3
179.10753	1.5
179.14249	3.1
189.12686	5.2
195.13754	10.2
205.12241	11.6
205.15900	3.4
209.11792	1.4
211.13387	1.4
220.14665	1.2
221.15356	3.8
223.13330	100.0
224.13687	6.1
231.13797	1.7
233.11763	2.3
235.08203	3.6
236.10405	2.0
237.14993	1.9
243.17514	3.8
249.14883	3.3
253.09297	12.0
287.16498	41.4
288.16840	3.7
291.19434	2.7
292.20126	1.2
293.17566	1.7
293.21036	1.9
305.17566	92.0
306.17914	6.0
403.31763	1.3
459.22354	8.2
475.28738	1.8
493.29648	3.8
494.29630	1.5
507.81836	1.2
511.30710	2.9
523.25171	1.6
541.26312	3.0
583.91211	1.3
729.38635	3.4
747.40106	1.7
793.15149	1.3
807.41180	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	807.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98690	25.5
62.12373	8.8
70.85733	15.9
71.01239	13.7
76.14217	8.3
96.95870	13.8
102.28191	8.1
105.66536	8.8
120.11517	8.6
122.81590	9.1
125.02293	11.3
131.92035	8.8
169.12276	9.0
180.58812	8.6
197.11720	13.0
199.13254	8.7
209.11723	14.0
211.13333	100.0
217.08252	13.3
223.13318	14.0
225.11171	12.1
235.09671	49.4
238.06863	8.0
249.10912	8.4
253.09337	23.3
291.19641	16.0
309.20563	38.8
447.22397	25.6
471.18527	10.8
574.86334	8.8
739.42749	12.5
807.42688	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	805.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	7.1
69.75639	7.0
71.01241	4.9
73.02822	1.4
78.95766	8.1
80.96379	1.1
85.02810	1.7
87.00736	1.2
89.02316	3.4
93.45773	1.1
96.65894	1.1
97.06505	1.3
98.20428	2.0
101.02338	3.0
111.08021	7.8
113.02302	2.5
119.03471	1.3
152.99457	6.9
161.04500	1.7
169.12257	3.4
171.10173	5.5
197.11763	51.4
198.12079	3.4
199.13335	3.4
211.13356	6.8
225.14844	2.1
227.12694	2.3
235.08165	5.0
253.09297	16.3
253.21655	3.3
255.23450	1.5
263.19977	2.0
265.18121	2.0
273.18619	2.2
277.21704	100.0
278.21988	6.2
291.19620	28.3
292.20135	1.1
309.20691	53.7
310.21075	3.3
341.23392	4.8
527.28717	2.0
545.29272	1.8
569.27411	8.6
655.61060	1.2
805.48175	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	807.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09035	1.6
59.01247	11.7
61.98706	2.5
69.03312	2.3
70.59453	6.3
71.01250	26.3
72.99202	2.8
73.02816	3.2
79.95581	2.1
82.08189	1.5
83.04895	3.9
85.02818	2.9
87.00725	2.6
89.02332	4.5
96.95878	4.5
97.02837	6.2
99.00780	2.7
101.02328	8.0
109.06471	23.8
109.39861	1.9
111.08054	5.9
113.02324	5.2
125.02405	2.6
125.09611	2.1
127.11170	1.6
135.08020	5.0
161.04462	4.3
163.11191	14.4
165.12732	3.5
171.10178	16.6
181.12225	6.4
185.11786	3.5
197.11748	33.3
199.09676	5.8
199.13271	2.9
201.11278	4.5
207.10190	73.0
208.10579	4.2
209.11760	100.0
210.12148	6.1
211.13335	11.8
223.09718	3.5
225.11261	45.2
226.11584	2.1
227.12816	24.8
235.08186	6.0
247.20645	1.8
253.09241	30.8
289.18134	13.1
291.19629	24.1
292.20279	2.6
293.21295	6.7
307.19168	12.4
309.20691	55.2
309.24261	3.1
310.21017	2.5
374.68835	1.8
427.24435	3.9
443.19086	3.4
461.20337	18.3
462.20834	1.9
721.32208	2.0
735.39545	2.2
753.40839	15.5
754.41376	6.2
807.39362	8.0
807.89764	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	805.4585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.8
58.00481	1.1
59.01247	10.6
61.98696	1.7
69.74028	1.3
71.01252	15.2
73.02821	2.5
75.00758	1.6
78.95766	2.4
83.01253	2.9
83.04882	7.1
84.02037	2.6
85.02824	5.2
87.00748	2.9
89.02322	7.7
95.04896	1.6
96.95882	43.0
96.96841	2.6
97.02824	1.9
97.06496	2.1
98.95488	3.1
100.97228	1.1
101.02316	7.9
102.02579	1.2
107.05026	1.0
113.02303	3.6
116.92725	1.9
119.03449	2.0
125.02342	2.9
125.09663	2.2
127.11193	1.7
133.01276	2.2
135.08087	1.3
155.10648	1.4
161.04477	3.9
163.11201	3.5
165.09047	1.4
165.12794	3.1
167.03517	1.2
168.94444	1.3
169.12248	4.0
171.10179	19.0
179.05484	1.8
181.12225	1.7
181.31978	1.2
182.34050	1.2
183.13824	2.7
185.11732	1.6
191.10666	1.3
193.12256	2.4
197.11771	14.0
199.13321	4.3
201.11250	14.6
205.03253	1.1
207.10187	2.8
209.11772	100.0
210.12144	6.3
211.13339	18.6
212.13705	5.8
225.11111	2.9
225.14861	1.8
227.12886	22.4
229.14383	6.5
229.26941	1.2
230.14771	1.6
235.08218	8.5
253.09247	26.3
289.35559	1.2
291.19675	4.5
307.19269	1.7
309.20691	5.4
325.20135	1.4
327.21735	47.9
328.22147	3.0
341.23315	13.9
342.23749	2.1
397.13614	7.6
403.21417	1.1
415.14520	2.6
445.20844	1.1
545.29468	2.8
563.30469	3.3
787.38269	2.4
805.39172	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	805.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.3
58.00472	0.1
59.01246	3.3
61.98698	0.4
69.03328	0.2
71.01246	2.6
71.04920	0.1
72.99188	0.1
73.02818	0.4
78.86427	0.1
78.95783	0.1
80.60912	0.1
80.96395	0.2
81.03299	0.1
83.01260	0.2
83.04903	0.2
85.02799	0.5
87.00748	0.6
89.02310	2.0
90.28822	0.1
95.01272	0.1
95.04916	0.3
97.02835	0.2
97.06493	0.2
98.19733	0.2
99.00718	0.2
101.02317	2.4
111.08012	0.5
113.02320	1.4
113.09618	0.3
119.03381	0.7
121.10126	0.4
125.02311	0.1
131.03406	0.2
133.74934	0.1
141.09129	0.2
143.03415	0.4
145.05040	0.1
160.52132	0.1
161.04456	1.4
166.71579	0.1
167.10718	0.3
171.10178	1.6
177.12738	0.2
177.16389	0.1
179.05519	0.4
179.10719	0.3
179.14355	0.8
181.12215	0.2
195.13844	8.9
196.14410	0.6
197.15469	0.1
205.12317	0.8
205.15887	0.3
211.13324	0.7
223.13344	6.1
224.11789	0.1
224.13826	0.4
225.14885	0.2
228.13620	0.8
231.21086	0.5
235.08180	0.8
239.12830	0.2
246.66899	0.1
249.11104	0.6
249.22258	0.2
253.09253	16.8
254.09549	0.5
256.13159	1.2
265.21735	0.4
275.20129	7.5
276.20493	0.6
277.21640	0.6
290.11148	0.1
291.19666	0.3
293.21201	100.0
294.21536	6.8
309.20685	0.5
341.57666	0.1
432.19284	0.1
492.21854	0.4
529.30292	1.0
569.42194	1.1
570.42566	0.2
805.41644	0.2
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
57.03313	0.5
58.00474	1.3
59.01249	16.3
61.98709	0.5
65.58209	0.3
69.03313	2.0
71.01250	15.3
72.99181	1.6
73.02825	1.9
74.74534	0.3
75.00731	0.4
78.95775	1.2
79.95599	0.9
80.02562	1.1
81.03333	2.4
83.01241	1.7
83.04897	5.4
84.02041	1.2
85.02817	3.2
87.00746	3.8
88.01120	0.4
89.02315	14.4
93.03313	0.5
95.01273	1.3
95.04912	1.2
96.95885	23.1
96.96781	1.8
97.02827	2.6
97.06435	0.5
98.19734	0.7
98.95462	1.0
99.00758	1.5
101.02318	11.9
108.32690	0.4
109.06458	0.4
111.00760	0.5
111.04440	0.5
113.02319	7.0
119.03361	3.9
121.02853	0.5
123.04382	0.5
125.02338	5.8
125.05907	0.3
125.09624	1.0
127.11071	0.4
131.03383	0.6
133.04965	0.4
135.08051	0.6
137.02390	0.5
137.09637	0.4
139.03885	0.5
139.07555	0.4
142.59473	0.4
143.03395	1.9
145.02872	0.5
145.04941	0.3
149.04405	0.6
151.11087	0.6
153.12741	1.1
161.04468	3.2
163.11197	4.3
165.12773	2.3
169.12230	5.0
170.09607	0.3
171.10187	1.3
179.05528	3.8
179.10759	0.6
181.12292	1.0
184.59364	0.4
185.04390	0.4
191.10687	1.2
195.13756	0.5
197.11752	72.4
198.12134	3.1
199.05812	0.4
199.13251	1.7
201.09528	0.7
201.11252	9.1
207.10123	0.8
209.11758	100.0
210.12070	4.0
211.13341	1.8
217.07117	0.7
221.06488	1.2
223.13374	2.7
227.12836	15.3
228.13120	0.6
229.71539	0.5
233.11838	0.4
235.08180	4.4
239.12892	0.6
251.12790	0.7
253.09186	1.0
263.07697	0.4
287.07669	1.6
293.11264	0.4
305.08725	1.6
323.09781	1.0
379.12408	5.1
389.23190	0.5
397.13474	33.2
398.13943	2.1
403.16232	0.4
415.14566	9.2
416.14764	0.5
418.01550	0.4
437.77350	0.4
449.74942	0.4
548.12329	0.3
577.24756	1.1
589.24756	0.5
595.25824	1.4
607.25787	1.4
621.27301	0.7
765.26416	0.5
769.36316	1.1
787.37714	0.7
805.38849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	10.7
61.98707	100.0
70.08653	7.7
71.01244	17.6
78.95768	30.5
79.95614	8.3
80.52411	5.5
80.96395	56.0
94.97936	15.0
113.02325	7.7
121.02828	6.5
122.39659	5.9
125.02341	12.9
152.99498	7.8
164.74782	6.6
164.98500	8.4
171.10132	13.0
209.11719	16.0
211.13315	26.1
223.42961	5.8
225.00549	15.6
233.11426	6.5
253.09222	9.5
289.18036	7.9
293.21646	7.1
401.87589	6.7
426.55557	8.5
530.96417	6.8
570.19727	7.3
659.64417	6.8
805.40570	70.5
806.40631	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	805.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65534	8.6
58.76728	7.1
59.01244	23.9
60.39418	6.9
61.98704	71.6
69.86325	41.2
71.01250	38.6
78.95817	9.8
79.95609	13.0
80.96402	56.3
85.02795	14.8
89.02274	9.0
90.30319	6.6
95.23026	7.9
96.95898	11.3
101.02316	14.4
107.14069	7.8
109.02845	8.3
113.02370	9.3
117.92712	10.2
125.02322	38.7
127.00063	8.8
128.03438	13.3
128.90044	35.0
129.01819	25.9
140.19952	7.1
169.01347	16.8
171.10158	21.2
197.11742	7.7
209.11790	12.6
211.13344	100.0
212.13657	26.8
223.13319	19.4
225.00667	10.3
252.41129	7.8
253.09212	18.8
274.46613	7.7
277.21930	7.4
289.07043	10.2
289.18130	76.2
310.36655	9.1
342.76550	8.6
447.22009	7.8
608.63263	8.4
622.63184	9.5
719.41504	10.1
805.40851	84.0
806.41656	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.3
61.98691	2.0
67.52461	0.6
70.24240	0.6
71.01250	4.1
71.04876	1.2
73.66774	0.6
81.03348	0.6
85.02824	0.9
87.00755	0.9
89.02320	2.2
95.04906	0.6
101.02318	3.6
109.06465	6.8
111.04391	1.9
111.08005	0.7
113.02300	1.7
114.47337	0.7
123.08037	1.6
127.07520	1.0
130.06401	0.6
145.06485	1.4
151.11195	0.8
163.10982	0.6
167.10684	1.7
179.05611	0.7
195.13817	3.6
211.13382	0.8
215.14456	0.8
235.08086	1.5
243.17561	0.8
245.19165	3.0
253.09279	9.2
271.16922	1.6
277.21701	56.8
278.22076	5.8
287.16492	1.9
289.18073	100.0
290.18423	8.5
307.19214	4.9
490.19263	0.7
525.26917	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.5
59.01247	5.3
61.98703	2.8
63.60574	0.4
63.83586	0.4
71.01250	4.7
72.99185	0.4
73.02802	0.9
78.95788	0.5
79.95605	0.7
80.96394	3.8
81.03316	0.5
83.04871	0.9
85.02814	1.4
86.04354	0.4
87.00739	1.0
89.02285	3.0
94.97920	0.6
95.04890	1.1
97.06437	0.6
101.02327	4.1
109.06489	0.6
111.08038	8.4
112.08382	0.4
113.02313	2.6
118.35860	0.4
125.02332	0.4
131.03285	0.4
137.09599	0.6
139.11201	0.5
145.04979	0.9
148.99080	0.6
152.98465	0.4
155.40836	0.4
161.04457	1.7
164.98578	0.8
167.10719	2.2
171.10246	0.5
177.12752	1.7
179.05463	0.8
179.10654	1.6
179.14282	0.9
185.75734	0.4
195.13814	10.9
196.14182	1.1
196.55464	0.4
205.12259	0.5
205.15871	0.5
206.99234	0.4
209.11804	0.5
211.13292	1.1
221.11719	0.5
223.13361	4.3
225.00661	0.6
228.13454	0.6
229.76003	0.4
235.08192	3.0
240.07364	0.4
245.19273	0.5
247.20493	2.5
253.09245	15.8
254.09435	0.8
256.13089	0.6
273.18665	1.1
275.20142	4.5
277.21719	8.0
278.22150	0.5
281.06732	0.5
289.18079	1.6
291.19632	100.0
292.19974	8.2
293.21194	82.9
294.21552	7.0
307.19095	3.0
527.28625	6.9
528.29053	0.6
529.30365	1.2
734.41547	0.5
756.56165	0.5
776.15778	0.4
803.41364	3.3
804.42792	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	803.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82172	0.4
57.03330	0.5
59.01244	4.7
61.98695	4.1
66.98987	0.4
69.03309	0.8
71.01250	8.8
72.99189	0.6
73.02840	0.8
73.63811	0.5
75.00743	1.1
78.95763	4.8
78.98463	0.9
79.95594	3.9
80.96387	6.0
81.03326	0.9
83.04906	1.1
85.02835	2.0
87.00750	1.4
89.02312	2.2
89.98217	0.5
94.97964	1.2
96.95884	100.0
96.96773	5.0
97.02835	1.4
99.00758	2.2
100.70950	0.5
101.02351	2.9
101.58801	0.5
109.06410	0.7
111.58913	0.5
113.02317	2.0
116.92741	5.7
117.92739	0.9
119.05013	0.5
123.04382	0.6
125.02329	1.3
125.09593	0.8
128.42282	0.5
137.21156	0.4
146.96500	0.6
148.98947	0.5
161.04440	0.6
163.11192	1.5
164.98560	0.8
165.12737	0.8
171.10191	4.9
172.10559	0.5
179.05476	0.7
181.12222	1.1
183.13834	2.3
185.11563	0.6
193.12311	0.6
197.11763	2.1
199.13364	0.7
201.11304	1.4
207.10196	3.1
209.11765	13.7
209.13788	0.8
210.12108	0.7
211.13326	27.1
212.13684	1.2
223.13223	0.7
225.00732	1.6
225.11234	3.5
227.12837	1.8
235.08154	0.9
243.12325	0.8
253.09154	3.3
273.17181	0.6
281.47958	0.5
289.18137	2.3
291.19739	2.7
307.19128	1.8
309.20673	4.5
319.68259	0.6
374.81314	0.5
379.12546	1.2
397.13440	5.4
415.14554	1.5
421.25018	0.5
482.82083	0.5
498.51532	0.6
533.18774	0.5
591.26587	1.3
609.27557	1.0
628.06409	0.6
680.76733	0.5
771.41553	1.8
803.38727	6.5
804.39447	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	0.6
58.00456	1.0
59.01247	12.7
60.94046	0.5
61.42384	0.5
61.98693	1.3
69.03323	1.5
69.28203	2.9
69.28632	2.6
71.01251	12.1
71.04915	0.7
72.99176	1.4
73.02820	1.9
78.95770	0.7
80.02565	0.5
81.03342	1.5
83.01250	1.6
83.04906	3.0
85.02812	2.6
87.00739	2.9
89.01813	1.0
89.02317	10.3
95.01214	0.6
95.04920	0.8
96.95894	8.0
96.96835	0.7
97.02819	2.2
97.06456	1.0
98.20499	1.0
98.95513	0.7
99.00739	1.3
101.02317	8.5
113.02342	4.8
119.03331	2.6
121.02843	0.9
125.02351	4.3
125.09602	1.5
127.07558	0.7
135.08047	1.0
143.03378	1.6
151.03862	0.5
151.11266	0.6
153.09125	3.7
155.10724	0.7
161.04489	1.8
163.11169	2.1
165.12766	1.3
167.14276	0.7
169.12305	3.6
171.10167	9.2
179.05533	2.9
181.12285	1.1
183.13820	7.9
185.11739	1.3
191.10701	0.9
193.12238	2.3
197.11772	2.8
199.13312	1.1
207.10211	1.6
209.11768	38.6
210.12106	2.4
211.13332	100.0
212.13626	5.9
221.06651	0.6
223.13326	0.7
225.11223	1.1
225.14951	0.8
227.12793	6.2
235.08167	4.0
253.09258	4.4
278.98199	0.6
287.07623	1.0
289.18088	3.5
307.19128	12.6
308.19385	0.9
308.39386	0.6
309.20621	0.8
323.09976	0.8
325.20264	6.5
326.20602	0.6
341.23325	1.9
379.12280	3.7
397.13501	19.8
398.13983	1.8
415.14575	5.1
525.27307	0.9
543.28003	3.1
561.29443	1.5
591.26154	3.1
609.27466	3.4
610.28137	0.7
666.30249	0.7
695.40167	1.3
735.39227	0.9
753.40332	1.2
771.41559	1.6
785.39624	1.9
803.44360	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	802.459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.7
61.98700	100.0
66.22447	0.6
70.59022	0.6
78.95776	0.9
89.21671	0.6
98.20634	1.5
125.09701	0.9
211.13321	7.5
212.13705	5.7
213.13928	2.5
222.97450	0.7
229.51837	0.7
263.20328	0.7
276.30716	0.7
277.21741	4.6
278.21973	3.3
279.22464	1.9
289.18179	1.5
308.45670	0.7
384.61200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	0.2
61.98703	0.4
63.69979	0.1
71.01244	0.3
71.37526	0.1
71.37874	0.1
78.95773	4.2
79.95601	2.9
87.00743	0.2
89.02309	0.1
96.95887	100.0
96.96774	5.7
97.95824	0.3
98.02345	0.3
101.02324	0.2
125.02303	0.1
150.06668	0.1
171.10107	0.1
179.10704	0.1
180.18651	0.1
183.13817	0.1
197.11826	0.1
209.11821	0.6
211.13316	1.2
225.14955	0.1
227.12848	0.2
265.07608	0.4
315.04791	0.1
397.13589	0.2
483.15561	0.2
499.20337	0.1
641.43097	0.2
751.30035	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	803.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17679	1.7
59.01245	15.3
61.98700	21.8
69.03304	2.3
71.01247	36.6
71.57261	2.5
73.02821	3.2
78.95761	4.3
79.95607	10.8
80.96388	22.8
85.02822	3.4
87.00740	5.1
89.02328	8.3
94.97983	5.0
95.92226	1.8
96.95887	86.6
96.96857	4.3
97.02822	3.9
99.00739	4.5
99.92419	1.9
101.02305	9.9
109.06472	6.7
111.08028	2.3
113.02332	5.0
116.92723	14.4
119.03336	1.9
125.02335	4.5
125.09641	2.6
134.97523	2.0
143.03430	2.3
148.60330	1.8
152.98494	3.0
153.09026	1.9
161.04413	2.3
163.11217	6.8
164.98552	4.4
165.12540	1.7
171.10173	13.7
179.05588	3.4
181.12210	3.9
183.13831	7.0
185.11797	3.5
193.12332	2.3
195.13928	2.2
197.00710	1.8
197.11816	10.9
199.13361	5.4
201.11153	3.2
205.12393	2.6
207.10172	15.6
209.11757	17.3
210.12070	2.8
211.13336	100.0
212.13742	5.1
223.13312	26.7
225.00716	5.4
225.11288	15.4
235.08182	8.4
243.12253	2.5
253.09160	8.7
289.18182	4.1
291.19720	7.3
292.19836	2.7
293.21481	2.3
301.22556	2.2
307.19180	18.4
308.19376	2.1
309.20737	13.4
325.20190	8.3
337.70401	2.1
379.12314	3.5
397.13434	16.0
415.14642	3.1
441.35147	2.2
459.21982	2.4
461.20078	3.9
479.21829	2.1
543.28278	12.2
578.32959	1.9
591.27063	2.4
715.73035	1.9
749.40997	11.1
753.40149	3.0
767.42468	3.3
771.41852	3.0
785.39038	2.7
803.38824	31.9
804.39709	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	803.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	0.4
57.90792	0.2
58.00457	0.5
59.01251	11.4
63.69354	0.3
69.03310	0.7
71.01250	9.2
71.34637	0.6
72.99165	0.8
73.02808	1.4
75.00735	0.3
81.03327	0.6
82.74435	0.2
83.01243	1.0
83.04889	0.5
85.02831	2.3
87.00754	2.7
89.02312	8.6
95.01274	0.7
96.95867	0.9
97.02841	1.2
99.00743	0.8
99.04408	0.3
101.02321	7.2
109.02761	0.3
111.04349	0.3
113.02320	4.2
119.03383	2.4
125.02338	3.0
131.03394	0.4
133.04858	0.2
143.03398	1.0
155.10693	0.3
161.04443	2.0
167.03328	0.4
167.14310	0.5
179.05530	2.5
183.13840	6.9
193.12262	2.1
204.17485	0.2
209.11777	1.6
210.85497	0.2
211.13327	100.0
212.13641	4.9
217.07076	0.8
221.06685	0.7
227.12993	0.3
228.05751	0.2
235.08192	2.8
253.09332	0.4
253.14319	0.6
259.08185	0.3
263.07809	0.3
269.73254	0.2
271.87076	0.3
287.07733	1.0
305.08676	0.9
323.09790	0.5
325.20276	0.3
353.65570	0.2
356.46570	0.2
361.11258	0.2
379.12451	4.4
397.13480	22.6
398.13818	1.5
405.26205	0.5
415.14532	4.0
415.19757	0.5
483.25165	0.3
526.60614	0.3
579.47693	0.3
591.26373	3.1
592.27179	0.6
609.27496	4.3
610.28094	0.7
785.39673	1.1
803.41028	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.7
61.98701	54.3
69.03298	2.5
70.66665	1.4
71.01265	4.1
71.18848	1.3
71.56275	1.5
75.00705	1.4
78.95773	4.7
80.96394	4.8
85.02834	2.0
87.00783	1.7
89.02322	2.1
101.02335	2.0
103.44559	1.4
112.08092	1.6
113.02322	2.6
120.75217	1.3
125.02312	2.7
129.09048	1.6
152.99515	2.5
153.12758	2.2
169.12210	5.4
171.10149	4.5
185.11784	2.0
195.13866	4.8
197.11765	100.0
198.12032	3.9
209.11739	4.6
211.13319	26.1
213.14885	11.8
223.13387	2.1
235.08134	6.7
253.09201	16.7
275.20215	6.7
291.19809	4.7
293.21201	49.2
294.21518	4.8
295.22681	3.8
309.20700	6.0
311.22256	14.1
312.22458	2.4
329.37030	1.6
338.74054	2.1
341.59903	1.5
393.67038	1.7
433.20676	11.7
437.90778	1.8
447.22153	2.8
529.29694	2.1
801.37927	2.4
802.48126	1.8
827.47723	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	802.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80158	0.1
58.93169	0.1
59.01241	0.6
61.98700	100.0
69.03334	0.2
70.00992	0.7
71.01245	1.0
78.95782	0.4
80.96392	0.8
82.13150	0.2
85.02840	0.2
85.94424	0.2
89.02296	0.2
94.97975	0.2
96.95901	0.1
98.19853	0.2
101.02310	0.2
109.06512	0.2
110.15566	0.1
113.02358	0.3
123.23467	0.1
125.02383	0.3
137.02354	0.3
152.99551	0.2
164.98608	0.2
171.10196	0.5
182.43704	0.2
197.11800	0.3
207.10236	0.2
207.91382	0.2
209.11751	0.9
211.13361	1.6
225.00540	0.2
225.11317	0.4
235.08101	0.2
253.09328	0.2
277.21686	0.2
291.19806	0.2
293.21341	0.3
295.22723	0.4
397.13739	0.3
411.86142	0.2
727.05212	0.2
785.36121	0.2
802.49164	0.5
803.38690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.3
61.98700	100.0
63.75066	0.2
69.44514	0.8
69.44932	0.5
71.01261	0.4
78.95784	0.3
80.96358	0.1
89.02303	0.2
111.08037	0.2
117.32018	0.2
125.02374	0.4
171.10280	0.2
183.13828	0.3
193.43060	0.2
197.11801	0.4
198.12154	0.3
209.11856	0.5
210.12061	0.3
211.13322	2.9
211.15140	0.2
212.13747	1.1
213.14018	0.4
253.09236	0.3
257.79251	0.2
291.19662	0.3
292.19977	0.2
293.21201	0.3
309.20746	0.4
310.21213	0.5
311.21637	0.2
329.23193	0.2
362.67368	0.2
397.13501	0.2
580.19373	0.2
642.49438	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	2.7
58.00471	2.4
59.01250	46.9
61.98699	2.9
63.49523	0.9
65.03837	1.7
69.03316	3.7
70.60712	2.4
70.61054	1.0
71.01251	41.5
72.99197	5.4
73.02815	4.9
75.00719	1.7
77.57341	0.9
78.95771	2.7
81.03329	3.0
83.01254	3.9
83.04897	6.1
85.02824	12.0
85.06461	1.7
89.02317	30.1
93.03321	2.7
95.01253	3.0
96.95892	11.8
97.02800	6.7
97.06459	3.7
99.00731	3.1
101.02322	22.8
106.55286	0.9
106.56049	1.0
109.02824	1.1
109.06469	2.9
111.08029	2.6
113.02319	15.0
119.03358	5.6
119.04802	1.2
120.87040	1.1
121.02793	2.0
123.08038	3.3
125.02333	10.0
125.09620	14.7
134.03491	1.0
135.04431	1.8
137.09558	1.3
143.03378	2.4
151.83574	1.0
161.04459	4.6
163.11218	1.3
171.10188	24.9
172.10544	1.9
179.05542	8.0
183.13843	1.5
185.11783	1.3
187.09686	1.8
187.14839	1.1
189.16423	1.8
201.12877	1.4
205.15915	3.4
207.13863	2.2
209.11774	20.1
211.13316	23.1
213.19763	1.2
215.14384	9.6
221.06494	6.0
221.15356	1.8
225.11168	1.5
231.13914	2.0
233.15413	51.0
234.15742	3.3
235.08212	3.1
235.13271	1.2
247.16986	1.2
249.14896	13.6
250.15222	1.3
251.16463	1.9
253.09303	1.5
263.07648	1.9
331.26425	3.4
337.83249	1.3
341.24652	4.4
357.24039	1.1
359.25906	2.4
367.22852	2.5
375.25366	3.2
377.26862	1.5
379.12347	2.9
385.23825	18.8
386.24213	2.3
389.58209	1.2
393.26218	2.1
397.13501	23.3
403.24890	35.2
404.25162	4.4
415.14539	3.9
421.25974	15.5
422.26459	1.5
551.23810	1.2
561.83417	1.3
629.28149	1.4
642.07275	1.2
773.39557	3.5
783.38031	100.0
784.38232	23.1
801.39026	53.3
802.39081	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	799.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.7
61.98692	3.3
66.98582	0.6
69.03307	1.1
70.08405	1.4
70.08791	1.6
71.01257	2.9
73.02809	1.6
81.73048	0.6
83.04873	0.9
85.02824	0.9
89.02321	3.2
89.08965	0.6
92.59325	0.6
97.02869	0.9
101.02325	3.0
111.08024	5.1
113.02325	2.1
130.20006	0.7
161.04480	1.5
163.11249	0.8
165.12770	1.2
169.12195	2.0
181.12212	0.9
183.13802	6.4
193.12282	1.8
197.11751	25.0
198.12070	1.3
199.13336	2.0
209.11713	3.6
211.13324	100.0
212.13707	3.6
227.12828	3.5
235.08212	3.9
252.96310	0.6
253.09261	14.7
263.20099	1.0
265.18008	0.9
284.06308	0.7
291.19650	18.3
292.19931	1.1
293.21277	5.7
293.88040	0.6
309.20682	40.3
310.20963	3.7
433.21252	0.7
447.22165	6.3
488.28864	0.7
503.33868	1.2
545.29443	1.4
732.42596	0.8
733.27026	0.7
746.33636	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53348	0.3
57.27701	0.2
59.01249	15.5
69.03321	0.3
70.87322	0.3
70.87654	0.3
71.01257	2.3
73.02802	0.4
78.95812	0.2
79.84258	0.2
79.95587	0.3
80.96384	1.2
82.95970	0.5
82.96819	0.3
83.01284	0.3
83.04868	0.5
85.02811	0.5
89.02312	1.8
94.97937	0.3
96.95877	0.2
97.14388	0.2
101.02340	2.0
113.02348	1.3
159.18521	0.3
161.04430	1.0
167.14282	0.5
179.05528	0.6
183.13828	5.9
184.14102	0.3
193.12314	1.4
211.13330	100.0
212.13675	4.8
227.00232	0.4
235.08209	1.4
241.01213	0.3
253.09251	5.9
277.21710	52.0
277.98596	0.2
278.22061	4.7
429.21246	1.4
447.22308	9.5
448.22635	0.8
492.55069	0.3
513.30505	0.7
683.35083	0.2
707.43903	0.7
799.43634	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	801.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.2
59.01252	10.5
61.98699	100.0
66.34374	1.6
70.86575	3.6
70.86910	2.6
71.01244	10.1
71.04896	3.1
72.99177	2.1
75.00758	1.8
80.96384	4.5
85.02834	4.1
89.02323	3.8
95.04919	3.8
96.95855	1.7
101.02312	3.2
109.06451	3.8
111.08009	1.7
113.02306	5.9
119.03403	1.4
122.03628	3.0
123.04424	2.3
125.02316	3.3
130.30183	1.7
161.04478	2.3
165.09111	1.9
167.10696	1.9
169.12213	2.0
171.10117	2.9
177.98259	1.6
179.14310	3.3
185.11717	2.2
189.12791	2.1
195.13748	9.6
197.11807	8.6
198.12091	2.0
205.12242	9.4
205.15932	2.6
209.11728	10.4
211.13318	24.0
212.13676	9.8
223.13344	80.3
224.13716	5.8
227.12851	2.6
235.08157	4.2
237.14940	3.7
247.13493	3.0
253.09302	14.0
273.16971	5.2
287.16516	25.9
288.16803	2.0
289.18094	4.0
291.19547	4.5
292.20026	2.0
293.21124	5.0
294.21521	2.0
305.17548	53.7
306.17737	3.3
309.20657	6.8
310.21115	2.5
459.22214	3.4
555.79443	1.7
602.60620	1.8
643.37067	1.6
748.40796	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	801.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00138	1.5
57.03300	3.8
58.00447	2.8
59.01248	60.8
61.98677	6.1
62.31093	2.2
65.03818	2.4
67.01747	2.4
69.03308	6.9
71.01247	59.5
71.57967	3.1
72.99155	5.4
73.02812	11.2
75.00741	3.5
78.95784	2.1
79.95581	3.6
81.03316	6.0
83.01230	7.2
83.04869	7.3
85.02821	14.5
85.03252	2.9
87.00745	12.3
89.02309	39.4
93.03351	2.0
94.97976	1.8
95.01231	5.4
96.95276	3.6
96.95885	66.5
97.02812	6.1
97.06453	5.8
99.00773	4.0
101.01685	3.3
101.02314	36.3
107.04925	2.1
109.02854	2.1
109.06438	2.8
111.04400	2.2
111.08013	4.4
113.02328	20.2
119.03373	10.4
119.04824	2.6
123.07992	3.0
125.02341	15.3
125.09608	16.0
131.03363	2.5
132.78618	2.1
137.09569	2.2
143.03374	3.7
151.03864	2.1
154.85318	2.0
161.04443	4.3
163.11168	3.1
171.10182	45.0
179.05521	10.2
189.16322	2.0
195.10243	3.0
197.11771	2.1
205.15866	4.6
209.11761	42.9
211.13319	35.1
215.14290	6.6
221.06540	8.3
221.15149	2.2
225.11180	2.7
227.12860	2.6
231.09964	2.6
231.13857	4.7
233.15419	67.9
234.15752	4.3
235.08096	6.0
249.14922	27.7
250.15543	1.9
251.16362	3.1
251.72063	2.0
253.09328	2.6
263.07632	2.4
273.17035	4.1
285.18170	1.8
308.83051	2.0
331.26270	3.4
339.23254	2.1
341.24622	4.5
359.25934	2.5
367.22882	3.3
375.25372	3.2
379.12387	5.8
385.23831	24.1
393.25986	2.6
397.13538	27.0
403.24829	37.8
404.25119	4.2
415.14395	7.2
421.25989	23.6
551.23529	2.6
783.37952	100.0
784.38312	18.9
801.38843	77.7
802.39087	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	799.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	19.0
61.98695	30.3
67.66901	2.7
71.01256	13.2
83.04876	3.5
89.02326	7.3
96.95858	4.3
97.06493	3.1
98.30742	2.4
100.13253	3.1
101.02335	8.7
113.02347	5.9
115.36256	2.7
121.02854	3.1
124.57875	2.8
125.02339	20.5
125.09623	3.1
133.01335	3.1
133.04988	4.1
135.55345	2.8
151.04030	3.0
161.04475	3.5
163.11154	2.7
168.99968	2.9
169.01384	8.9
169.12219	4.2
171.10133	8.9
183.13800	4.3
185.11769	5.4
195.13837	8.4
197.11743	6.4
199.13261	17.3
209.11755	100.0
210.12119	3.9
211.13326	93.6
212.13667	5.4
221.11827	3.3
223.13229	6.9
227.12813	25.3
235.08160	6.4
253.09264	27.1
269.07532	3.6
275.20169	12.8
289.07007	3.8
291.19571	27.3
292.19830	4.5
293.21225	88.9
294.21442	6.8
309.20660	20.2
445.20657	5.0
447.22269	7.7
527.27472	3.5
799.45734	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	799.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	9.5
61.98377	1.1
61.98698	19.6
69.03329	1.8
71.01257	4.5
75.06824	0.9
80.96378	1.6
83.04904	1.6
85.02817	2.0
89.02307	2.7
90.51723	0.9
96.95876	1.3
97.02803	1.0
98.20543	3.4
101.02329	2.7
105.59470	0.9
111.08046	5.2
113.02322	1.9
161.04448	2.1
165.12706	0.9
169.12233	3.5
171.10133	1.2
183.13846	6.6
185.11758	1.1
187.70570	0.9
193.12262	2.3
197.11765	28.8
198.12051	2.1
199.13298	3.3
200.30756	0.9
207.10129	1.1
209.11754	3.5
211.13330	100.0
212.13699	4.4
223.13368	4.3
227.12819	4.2
229.72223	1.0
235.08051	4.4
253.09250	16.2
263.20129	1.4
279.69675	1.2
291.19659	17.3
292.19843	1.6
293.21234	6.5
293.24051	1.0
301.61292	1.1
309.20712	45.9
310.21036	3.9
346.31921	1.2
355.75882	1.0
447.22253	7.3
520.57324	1.0
545.29773	2.2
681.82593	1.1
735.05023	0.9
739.41705	1.4
799.39368	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	796.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	4.0
59.60314	1.7
61.98701	8.5
70.79391	1.9
70.79731	3.1
71.01218	1.3
75.00743	8.1
78.95772	41.3
80.96389	5.9
91.72739	1.3
94.97917	1.6
96.74514	1.6
96.96825	1.8
97.57763	1.4
106.56741	1.3
109.29385	1.4
113.09581	2.8
124.77824	1.4
152.99529	2.4
168.04195	10.0
169.12289	1.7
177.12726	2.1
179.14294	3.4
181.12300	1.9
195.13840	30.3
196.14198	2.8
207.10352	2.4
211.13297	1.9
223.13338	8.3
224.06841	6.7
225.00749	3.0
225.11235	4.0
240.07365	1.6
241.01151	6.2
255.23216	6.3
275.20093	4.5
277.21692	20.2
278.22058	2.0
293.21216	97.1
294.21503	5.5
295.22772	100.0
296.22955	7.9
500.27679	2.1
518.29144	4.3
520.30389	4.2
779.39691	6.6
796.51367	74.6
797.38910	13.2
797.53387	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	797.36
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30936	2.3
59.01247	7.2
60.99144	2.9
61.98703	3.0
70.72516	6.3
71.01242	4.6
72.99185	36.7
75.00738	4.3
78.95740	2.2
87.00761	5.1
88.98709	15.1
89.02320	3.3
95.01334	2.1
96.95884	6.4
99.00748	3.2
100.98711	2.3
103.00278	12.1
122.03633	3.2
125.02356	5.7
135.04428	2.2
146.03629	6.0
146.99251	2.5
147.04446	3.4
151.03871	3.3
159.04382	4.8
160.05186	2.2
161.02365	3.8
161.06012	2.7
163.03909	3.6
169.01282	2.3
172.05220	5.4
174.01620	12.0
174.03119	5.7
175.03876	9.3
176.04727	8.3
182.22374	2.1
188.04723	5.4
189.05486	3.7
190.04172	2.0
190.06306	9.8
200.04756	7.8
208.03308	2.4
209.11800	25.6
210.12085	2.3
211.13351	8.0
219.98253	2.2
222.86241	2.4
270.03708	4.2
271.13474	12.6
283.13489	11.4
285.15118	3.4
289.14499	2.8
296.00266	2.3
297.14996	2.9
299.12622	3.0
301.14304	13.6
311.12875	2.8
313.14465	4.6
314.47284	2.6
315.15976	22.7
319.15607	2.8
325.14404	9.2
327.15970	3.2
329.13638	3.0
333.16931	5.7
337.14307	3.6
343.15451	5.2
355.15448	5.3
373.16479	6.5
375.18204	2.8
465.21426	2.6
524.46088	2.7
623.34784	4.4
675.33429	4.5
765.33557	20.2
766.33832	4.3
779.34894	4.9
797.36047	100.0
798.36176	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	797.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.9
59.01248	22.5
59.49154	0.5
61.98694	1.8
66.96180	0.4
68.99673	0.4
69.03336	0.7
70.58836	1.5
71.01250	4.7
72.99159	0.5
73.02809	0.8
75.00739	2.8
80.02551	0.5
80.96356	0.9
81.03320	1.6
83.01250	1.5
83.04907	1.0
85.02821	2.0
87.00743	1.4
89.02315	3.8
95.04887	1.1
96.95909	0.6
97.02845	1.5
97.06446	3.1
99.00719	0.6
101.02306	4.9
109.06481	1.0
113.02341	2.5
119.03383	1.2
121.06475	0.8
123.04388	1.6
123.08035	1.1
125.02307	1.3
125.09606	3.9
135.08038	1.1
137.09595	2.2
138.51770	0.5
138.92842	0.5
139.11171	0.5
141.01567	1.4
141.12746	0.6
143.03358	0.8
145.04887	0.6
152.99535	0.6
161.04440	1.6
163.11197	4.5
165.12781	1.3
167.10611	0.7
169.01271	0.7
171.10121	1.0
179.05510	0.8
181.12221	1.0
183.13809	6.7
185.11743	5.2
191.10715	0.6
191.14331	4.8
193.12245	2.0
197.11696	0.7
207.10176	2.1
209.09853	1.0
209.11777	13.1
211.13330	100.0
212.13689	4.9
213.14903	0.6
217.15829	1.0
223.13423	0.8
225.11298	2.9
235.08163	2.0
237.11171	2.4
245.19092	10.6
246.19397	0.8
253.09265	12.1
263.20215	2.3
271.16989	1.7
289.18094	54.1
290.18466	4.1
291.19769	1.6
293.21140	1.2
307.19144	43.1
308.19571	3.4
309.20810	1.2
314.45032	0.5
333.50223	0.6
385.23883	0.8
445.20755	0.8
447.22543	1.3
483.31113	1.1
501.32321	1.5
507.26245	0.8
519.33386	0.8
525.27173	2.3
526.27399	0.6
543.28040	1.8
583.00098	0.5
621.32733	2.9
622.32727	0.6
701.39160	0.8
737.41205	1.8
745.72247	0.6
787.47455	0.6
797.39368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68663	0.7
59.01247	5.5
61.98703	1.0
71.01244	1.9
72.18237	0.7
75.82763	0.7
78.95772	21.3
97.06455	1.0
111.08022	0.8
111.99062	0.8
113.09599	2.8
123.01582	0.8
152.99458	1.7
167.10721	1.9
168.04216	4.3
171.10086	1.1
179.14323	1.6
195.13855	10.7
195.44096	0.7
197.11787	1.6
205.12292	2.2
209.11638	1.0
211.13361	0.9
223.13341	22.1
224.06808	2.4
224.13759	1.6
234.63934	0.9
241.01050	1.5
253.09296	2.4
255.23277	1.2
256.13046	1.1
275.20129	5.1
277.21619	2.0
278.21915	0.9
291.19635	1.8
293.21225	100.0
294.21500	5.6
318.51938	0.8
459.22064	1.7
500.28021	1.1
518.29095	3.6
529.30017	1.8
623.68439	0.9
794.49835	31.5
795.37732	4.3
795.53070	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.4
59.69549	0.2
60.99173	15.7
71.01252	1.0
71.57714	0.5
72.99167	0.7
75.00753	0.4
77.13475	0.3
78.95778	0.3
87.00750	2.6
88.00262	3.2
88.98673	100.0
89.02310	7.2
89.99008	0.7
90.02576	0.3
95.33724	0.2
96.95899	0.8
101.42005	0.3
110.80334	0.2
113.02283	0.4
125.02330	1.1
130.57466	0.3
135.80074	0.3
145.02908	0.4
150.03154	0.7
151.97577	0.3
161.31087	0.3
165.01813	0.3
165.05402	0.6
171.10164	1.0
177.26189	0.3
201.11336	0.6
202.11546	0.3
207.10014	0.3
209.11774	5.1
210.12086	0.6
227.12833	0.8
253.09247	0.4
287.99393	0.3
293.91302	0.3
351.56564	0.3
359.15094	0.3
415.14490	0.4
417.15756	0.3
795.35327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.6
59.01247	5.1
60.18375	0.9
71.01234	1.7
71.35496	2.0
72.99165	1.0
81.19511	0.9
102.99615	1.7
103.00249	20.6
121.02820	0.9
121.06479	1.8
122.35970	0.9
123.07996	1.2
123.51802	0.9
125.02306	3.1
133.06476	1.4
143.04890	1.2
144.05676	3.1
145.02820	1.1
146.03610	2.8
147.04372	1.6
149.09674	1.1
158.07291	1.0
159.04420	5.4
159.08040	1.2
160.05157	2.4
161.05965	3.9
161.16473	1.1
165.05443	1.0
167.04950	1.8
171.04419	3.7
172.05165	1.7
173.05957	4.2
174.03101	9.7
175.03906	5.2
175.05255	1.1
177.09103	7.3
182.03590	1.3
183.04431	7.5
185.06001	3.9
187.03946	8.1
188.04721	24.8
189.01863	1.2
189.05489	34.4
190.05779	2.2
191.03406	4.3
195.04402	1.7
196.05135	1.2
198.03081	1.6
199.03902	6.0
201.05489	3.2
202.02710	1.6
203.03372	2.8
203.10649	1.6
211.03954	17.4
212.04659	2.4
212.60968	1.1
213.01866	2.2
213.05487	5.3
214.02652	2.7
215.03490	6.6
216.04173	4.6
217.04999	64.6
218.05304	2.7
221.11707	1.4
226.02739	1.2
227.03482	17.7
228.04140	2.7
229.04938	7.9
231.02840	1.9
231.06490	1.3
233.04437	4.1
239.03447	8.9
240.03923	1.1
241.04997	6.1
242.02034	1.7
243.02946	4.9
245.04535	4.8
250.11792	1.0
255.03003	8.4
256.03592	1.9
257.04523	6.7
261.03964	4.7
267.02942	4.2
269.01001	1.2
271.02512	1.4
273.04022	5.0
275.05600	1.2
283.02426	8.8
285.04001	4.4
297.00266	2.0
299.02100	3.4
301.03491	9.8
303.04944	1.2
317.02930	3.2
329.02866	2.7
405.08325	5.8
645.21960	7.5
685.21759	2.9
687.23114	2.2
703.22504	4.9
704.22858	1.3
713.20551	1.7
717.19733	2.1
761.20728	1.1
793.21893	100.0
794.22241	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	793.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12230	12.2
59.01241	38.6
59.85086	12.4
60.83922	11.2
61.98698	27.0
63.55157	11.7
63.98280	11.5
71.01239	20.7
73.02808	15.8
78.95772	17.9
80.39619	12.4
96.95872	37.8
97.02795	14.7
98.19790	41.8
112.00496	14.1
116.92732	100.0
116.97137	30.0
117.92710	15.8
125.02299	22.9
126.90318	26.9
127.00008	22.7
140.27531	11.2
151.03879	14.6
171.01936	11.4
171.10167	13.6
185.11810	14.3
197.11665	40.2
209.11732	26.0
211.13329	33.8
221.60143	13.1
223.13287	16.3
227.12811	32.0
229.54683	15.3
253.09238	33.2
293.21182	41.0
309.20633	38.9
315.57007	14.8
648.44226	13.4
793.42004	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	793.44
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	22.0
68.89541	1.0
69.03315	3.0
71.01260	4.6
71.56477	1.2
78.21236	0.8
78.95796	1.6
81.13742	0.9
87.00761	1.1
87.41997	0.9
89.02320	4.1
101.02330	4.8
113.02330	2.0
121.10105	4.3
125.09595	4.1
161.04428	2.0
167.10692	3.3
171.10104	3.5
177.12793	1.1
179.14383	2.2
185.11742	8.0
195.13852	11.9
205.12262	10.0
209.11681	2.2
211.13295	1.7
212.74536	1.2
218.44649	1.0
220.51256	0.9
223.13327	96.2
224.13783	5.1
225.11208	1.7
232.68611	0.9
235.08141	5.9
253.09312	9.9
263.20117	1.3
273.18546	3.3
277.21655	8.8
291.19638	100.0
292.19873	8.5
293.21313	1.2
311.60309	1.1
441.21310	1.7
459.22354	12.7
460.22141	1.3
509.27811	1.3
527.28705	11.1
528.28870	1.8
715.41565	1.9
733.42010	2.7
734.42078	1.3
757.80463	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31009	2.6
59.01230	12.4
61.98699	4.5
71.01250	20.5
71.57360	3.6
72.01583	3.5
73.02851	3.8
88.98668	5.2
89.02306	7.7
92.25343	2.7
96.95877	10.6
98.95467	2.8
99.92436	3.9
101.01657	2.7
101.02299	8.4
113.02322	4.3
116.92742	28.6
125.09614	5.3
153.98399	2.8
171.10162	29.9
174.23735	2.7
178.62749	3.2
183.13730	2.8
185.11798	3.0
197.11771	8.6
199.09698	7.3
201.11365	4.0
207.10147	3.3
209.11761	100.0
209.13776	5.2
210.12071	9.4
211.13338	41.7
212.13667	3.4
225.11214	4.5
227.12865	27.7
234.45364	2.7
235.08180	3.4
253.09204	14.4
273.30600	3.1
289.18076	7.0
291.19574	36.1
309.20740	8.8
310.21127	4.0
341.23285	7.4
445.20367	4.1
527.28607	5.2
791.39526	21.4
792.38922	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	791.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	19.5
61.98679	7.9
65.36650	3.8
69.03336	5.3
70.96398	3.8
71.01250	33.7
71.56814	4.8
78.95770	7.6
81.18099	4.0
83.04852	5.2
89.02317	9.1
96.95859	4.7
97.02835	8.5
101.02295	13.6
109.06488	27.3
113.02340	6.3
116.92796	4.8
122.71083	4.0
123.04269	4.2
130.11020	5.1
135.08011	7.9
152.99481	4.5
161.04398	5.5
162.53380	5.0
163.11150	18.1
171.10167	17.5
183.13850	5.5
184.22543	3.9
195.13885	7.8
197.11781	5.6
199.09631	5.9
199.13188	4.8
207.10185	100.0
208.10559	5.8
209.11751	66.6
211.13356	34.7
212.13702	5.3
223.13463	5.0
225.11293	46.9
226.11749	4.6
227.12805	18.9
235.08186	14.0
237.19624	4.5
253.09222	41.6
275.20016	7.0
279.84116	5.0
287.16470	10.4
289.18045	4.9
291.19647	86.5
292.20050	6.0
293.17941	8.0
293.21179	93.6
294.21585	9.8
305.17535	16.8
309.20801	9.7
345.80585	4.5
451.61304	4.7
461.19952	22.5
737.40387	22.1
738.41547	7.6
791.40179	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	791.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00460	0.9
59.01250	13.7
62.53907	0.4
69.03306	0.5
71.01251	8.5
71.04891	1.1
72.44794	0.4
72.99171	0.9
73.02814	0.5
83.01235	0.7
85.02810	1.7
89.02322	6.0
95.01268	0.6
97.88998	0.5
98.19845	1.1
101.02321	5.2
113.02343	2.8
113.34319	0.5
119.03389	2.0
123.08041	1.2
131.54684	0.4
163.11147	0.7
174.06824	0.5
177.12779	0.5
179.14317	1.5
223.13336	11.6
224.13644	0.9
241.14479	1.0
353.55344	0.5
359.03177	0.4
403.19699	100.0
404.20120	6.5
499.35007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88212	9.9
69.38264	75.2
89.33719	10.1
98.19758	8.7
174.79926	10.5
179.73056	8.9
209.11758	100.0
216.01248	9.2
252.67705	9.6
277.21771	73.8
293.21179	11.9
503.59674	9.8
791.43481	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	12.1
66.87467	9.7
70.00981	14.1
70.01380	27.3
71.01248	10.7
74.35836	7.6
77.28780	8.3
78.95773	40.8
127.90749	11.6
127.93534	8.6
152.99483	13.4
209.11795	9.2
211.13332	100.0
232.53781	9.1
253.09171	20.5
268.51825	8.7
277.21362	9.1
293.21265	64.3
307.81851	9.0
381.45663	8.8
447.22324	12.6
551.32892	11.9
680.30811	10.3
791.44324	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	3.6
59.01245	23.4
61.98704	3.0
69.03315	2.5
71.01255	100.0
72.99187	2.8
73.02806	4.0
78.95779	3.5
79.95641	1.9
80.02540	3.8
81.03371	2.4
82.95283	4.4
83.01262	2.9
83.04896	5.5
85.02817	5.1
87.00751	25.3
88.00261	3.2
89.02319	10.3
94.10001	2.1
96.95894	64.1
96.96848	2.7
97.02824	5.0
97.06467	3.2
98.20543	5.4
98.95476	4.6
99.00730	3.7
101.02319	14.5
109.06452	6.9
111.08053	5.3
113.02335	7.4
116.92717	6.4
119.03351	3.1
125.02272	4.4
125.09596	6.0
135.08083	2.2
137.09573	2.1
161.04419	5.2
163.11171	9.7
165.09134	2.4
165.12730	4.8
169.12260	8.4
171.08739	3.8
171.10179	74.4
172.10472	3.9
175.61426	2.1
179.05562	3.4
181.12259	5.8
183.13876	2.8
185.11722	8.5
193.12262	4.0
197.11763	45.7
198.12105	3.6
199.09662	10.2
199.13298	7.5
201.11255	21.0
207.10188	23.7
209.11758	99.8
210.12088	7.7
211.13339	48.5
223.13316	5.5
225.11241	14.9
225.14780	4.6
227.12799	22.8
228.13246	3.9
229.40335	2.4
235.08176	9.4
247.20695	2.7
253.09297	30.6
289.15082	3.5
289.18063	34.9
290.18472	2.5
291.19644	25.1
307.19193	6.5
309.20728	41.0
327.21701	7.8
341.23221	8.4
342.23499	6.1
343.24835	14.1
389.07034	2.4
397.13315	12.6
447.99045	2.1
461.20251	4.8
545.29620	2.5
735.39618	4.1
753.40479	6.3
789.39178	19.9
790.39142	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	789.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	3.3
58.00444	2.0
59.01251	20.9
61.98679	3.6
66.53573	1.7
69.03333	2.4
71.01250	89.9
71.39913	1.6
71.57423	2.9
72.01576	2.1
72.99184	2.9
73.02798	4.5
78.95766	3.6
79.95583	2.3
81.03336	3.2
83.04906	8.5
84.02010	1.7
85.02818	15.5
87.00745	6.0
88.51299	1.5
89.02309	10.3
95.01254	2.4
95.04885	3.9
96.95887	65.2
96.96825	2.8
97.02802	5.8
97.06476	4.3
98.95444	5.4
99.00746	4.6
101.02332	11.3
109.06484	10.0
111.08067	1.5
113.02316	8.3
116.92750	7.7
119.03414	4.1
119.66841	1.5
123.08035	1.7
125.02299	3.8
125.09579	2.2
127.11182	5.4
135.08015	2.1
137.09584	2.3
155.10696	2.7
161.04526	7.6
163.11171	12.3
165.09015	1.8
165.12645	2.2
171.10173	86.5
172.10577	3.9
179.05415	1.6
181.12198	5.0
183.13846	4.7
185.11734	14.7
189.09116	2.8
197.11838	11.1
199.09543	2.0
199.13379	2.9
201.11220	24.3
207.10210	23.8
209.11763	89.9
210.12090	6.0
211.13350	23.9
212.13768	2.2
216.61003	1.8
221.11679	3.9
223.13301	10.7
225.11269	52.6
226.11589	3.5
227.12802	11.6
229.14433	12.0
235.08116	15.2
239.12642	2.5
243.12297	5.1
253.09239	35.2
291.19614	5.5
309.20667	14.5
325.20248	2.4
327.21738	100.0
328.22031	7.2
341.23303	1.9
342.23581	2.8
343.21115	2.6
397.13409	6.0
415.14417	1.9
432.64371	1.7
461.20413	8.4
481.32074	2.2
545.29669	2.1
557.57318	2.0
563.30688	3.6
771.42072	5.1
789.42816	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	789.355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00470	1.0
59.01250	50.0
71.01248	12.3
71.01604	1.0
71.57056	1.2
85.02820	3.0
89.02312	11.0
97.94429	0.8
101.02329	8.7
113.02300	4.1
119.03384	4.5
134.20564	0.8
146.47073	0.8
147.07985	1.1
163.11189	28.0
164.11563	1.4
165.49751	0.9
193.05072	1.3
258.92355	0.9
300.02460	1.0
369.15570	1.3
387.16571	100.0
388.17020	6.6
411.90042	0.9
542.04327	0.9
612.80182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89066	2.2
57.91025	2.3
59.01247	6.4
61.98698	15.8
63.75909	2.0
70.86151	5.6
71.01254	17.8
75.04577	2.3
78.95776	14.6
83.04883	4.1
85.02856	2.1
87.92432	2.2
89.02309	2.9
99.00750	3.4
103.91935	4.2
104.92672	6.5
113.02307	5.7
114.94759	4.7
118.96891	2.8
152.99471	5.7
163.11165	2.7
165.12755	3.2
171.10146	9.4
181.12263	2.6
183.13844	4.0
184.95364	3.1
191.10609	2.6
197.11751	4.0
207.10152	6.2
209.11765	100.0
210.12065	4.1
211.13354	13.6
225.11258	4.9
227.12851	20.5
229.14258	2.3
235.08078	3.7
253.09271	9.6
263.20151	4.7
289.18085	7.8
291.19565	3.4
293.21075	2.7
307.19135	21.2
309.20599	3.3
327.21686	8.3
393.19235	2.7
403.09109	2.4
445.20630	3.8
451.05011	3.1
469.06543	5.6
483.04376	4.8
551.94196	3.0
584.81885	2.5
637.31763	2.6
729.27771	9.0
735.39569	3.9
753.40607	4.9
789.39252	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	789.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	5.0
61.98694	7.9
62.02342	2.8
71.01246	18.1
75.00735	4.3
85.58441	2.9
96.95880	8.2
101.02341	4.2
113.02319	4.1
116.92774	3.4
135.08008	3.3
142.23128	3.8
163.11104	4.5
171.10132	6.9
197.11734	6.8
207.10185	9.0
209.11763	100.0
210.12201	5.7
211.13460	6.7
225.11284	7.3
227.12791	25.2
235.08267	4.0
245.19035	4.1
253.09279	18.7
254.08810	3.3
289.18079	39.7
290.18387	4.8
307.19104	45.7
308.19394	3.9
309.20724	6.3
428.58463	3.3
659.57910	3.3
753.40002	7.4
789.38330	46.1
790.38055	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	788.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27616	0.8
63.02262	1.7
65.00187	3.4
66.42329	0.7
71.21754	2.1
72.02808	0.7
83.01253	2.4
97.21370	0.8
107.01257	6.0
109.02783	0.8
121.02842	1.5
125.02332	5.2
133.02829	2.6
148.01595	1.0
149.02243	0.9
151.00267	16.0
158.02394	1.0
160.03908	2.2
161.02330	2.8
163.00220	2.1
164.01096	1.5
169.01335	2.9
175.03828	0.8
176.01033	0.8
177.01724	1.1
178.99782	8.6
186.01869	9.3
188.03278	0.9
199.02563	1.9
199.04123	1.3
211.02577	1.5
212.03455	12.4
214.01384	100.0
215.01709	5.0
217.05005	1.3
218.45901	0.7
222.71886	0.8
226.04845	0.9
227.03423	2.6
229.04926	1.1
234.05585	0.8
236.03577	4.1
238.01378	2.3
239.03386	0.9
240.03836	0.9
241.04753	0.9
243.00803	0.8
243.02939	4.0
250.05121	1.6
251.03459	0.9
252.03098	0.8
254.04539	6.6
255.02977	8.9
256.03622	1.6
257.04474	1.2
267.02802	1.8
269.04501	2.0
271.02444	15.4
272.02942	1.3
275.39386	0.8
278.04681	3.9
283.02481	1.2
285.04010	25.0
286.04361	1.3
294.04004	1.5
295.02402	1.5
299.02036	0.8
300.02740	63.5
301.03421	20.0
302.03748	1.6
313.03488	6.5
322.03552	40.0
323.04041	3.7
339.07144	1.0
340.04575	70.9
341.04846	6.2
447.09290	34.1
448.09631	4.0
604.71759	0.8
627.01819	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	34.7
61.90626	0.7
64.82304	0.6
64.95406	0.5
71.01255	7.8
71.57790	0.7
72.99149	0.8
73.02803	0.6
83.01221	0.8
83.06642	0.7
85.02802	1.9
89.02317	8.1
92.52684	0.6
93.62153	0.5
95.01194	1.0
101.02319	6.0
113.02341	3.6
117.91273	0.6
119.03370	3.0
123.04320	0.7
125.02325	2.5
126.75515	0.5
151.03877	0.6
163.11191	4.0
176.62624	0.7
207.10225	6.9
231.70293	0.5
245.08214	0.5
249.71359	0.5
253.13898	0.6
289.07123	1.4
293.53931	0.7
387.16589	100.0
388.16922	7.4
389.80795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	0.9
59.01252	6.7
61.98689	2.9
68.50690	1.0
71.01257	10.5
72.99174	1.1
73.02843	1.0
73.79190	0.9
83.04888	4.5
85.02828	1.8
87.00747	1.9
87.27057	0.9
89.02312	3.6
93.03313	1.0
96.95899	2.7
97.02831	1.6
97.06477	1.5
98.19799	1.9
101.02309	3.7
111.08044	3.6
113.02316	2.4
116.92686	1.4
125.06020	1.4
137.09563	1.0
161.04434	1.4
163.11169	4.6
165.12761	4.0
169.12221	8.0
171.10181	10.4
172.10562	1.1
181.12109	1.2
182.23578	1.0
185.11699	1.3
191.10674	1.1
197.11758	22.7
198.12082	1.2
199.13327	4.3
201.11266	1.5
207.10136	1.8
209.11758	100.0
210.12093	5.7
211.13306	6.1
223.13474	1.1
225.11234	3.1
227.12834	16.7
227.50291	1.1
235.08232	5.6
235.10356	1.2
253.09238	16.6
291.19623	19.4
292.19952	1.5
309.20706	43.0
309.24283	2.5
310.21094	4.1
341.23300	3.7
350.93481	1.0
445.20554	1.4
522.48114	1.0
545.30023	1.2
632.69971	1.3
657.92072	1.3
689.03571	1.6
769.40424	2.5
787.42798	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	787.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.4
57.03291	0.4
59.01249	5.3
59.30236	0.3
61.98697	0.6
63.57646	0.3
69.03332	1.6
71.01254	5.1
71.04896	0.5
72.99180	0.4
73.02802	0.8
75.00738	0.7
78.95771	2.8
79.95618	2.0
80.02539	1.4
81.03329	1.3
81.85178	0.3
83.01269	0.6
83.04890	5.2
84.02013	2.0
85.02813	2.1
87.00742	1.2
89.02319	3.3
95.01267	0.6
95.04907	1.0
96.95889	53.7
96.96787	3.1
97.02826	0.8
97.06467	5.8
99.00748	0.5
99.04396	0.8
101.02322	4.1
109.06475	0.7
113.02322	2.8
116.92771	0.4
119.03367	0.7
125.02350	0.4
125.05924	0.5
125.09595	1.4
127.11134	0.4
127.21391	0.3
135.08014	0.8
137.09563	0.5
143.03421	0.3
145.04935	0.4
147.11774	0.4
153.09151	0.4
161.04477	1.9
163.11171	3.8
165.12782	3.0
171.10168	10.1
177.12616	0.6
179.05511	0.8
181.12175	0.4
182.67064	0.3
185.11769	1.0
189.09482	0.4
191.10689	1.4
193.12250	7.9
197.11761	1.4
197.15269	0.4
199.13315	0.8
201.11298	1.3
207.10185	0.6
209.11763	100.0
210.12077	4.4
211.13335	2.9
221.11801	0.9
225.11342	0.7
225.14914	12.4
226.15240	0.4
227.12828	11.5
227.50281	0.4
235.08199	4.8
237.14877	0.3
243.16002	5.1
253.09247	16.2
253.14482	0.7
254.09570	0.5
291.19586	1.2
305.21155	0.6
309.20773	0.8
323.22302	1.0
325.20242	0.9
341.23294	74.2
342.23611	4.7
357.22815	0.4
445.20694	1.3
456.44348	0.4
533.34772	3.0
551.36273	0.6
577.32452	1.9
787.40820	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	787.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
56.75317	0.2
57.03303	0.5
58.00450	0.3
59.00956	0.4
59.01245	4.4
61.98694	0.4
69.03320	1.0
71.01251	5.4
72.16614	0.2
72.99178	0.4
73.02818	0.8
78.95778	0.8
79.95607	1.0
80.02546	1.3
81.03309	1.7
82.49299	0.2
83.01250	0.9
83.04898	5.6
84.02033	1.7
85.02809	1.8
87.00742	1.7
89.02315	2.6
93.03347	0.4
95.01272	0.4
95.04908	0.8
95.85398	0.2
96.95887	23.8
96.96783	1.2
97.02827	0.9
97.06466	5.2
98.19758	0.5
99.00750	0.5
99.04431	0.4
101.02325	3.5
107.04919	0.3
109.06464	0.6
111.08023	0.7
113.02319	2.2
113.05979	0.3
116.92774	0.3
119.03374	0.9
123.08021	0.3
125.02386	0.5
125.05957	1.1
125.09579	1.3
127.11177	0.7
135.08031	0.8
137.09621	0.7
139.07523	0.5
141.09119	0.3
141.68181	0.2
143.03464	0.5
145.04897	0.5
145.10396	0.2
147.11748	0.3
151.11168	0.4
153.09041	0.5
161.04477	1.9
163.11206	4.0
165.12776	2.3
169.08615	0.6
171.10175	9.0
172.10559	0.3
175.11166	0.4
177.12801	0.4
179.05534	0.5
181.12294	0.7
183.13861	0.4
185.11794	0.8
191.10710	1.2
193.12268	6.6
197.11716	0.8
197.15297	0.3
199.13322	0.6
201.11252	6.3
202.11520	0.3
203.10809	0.2
207.10258	0.8
209.11771	100.0
210.12096	4.1
211.13361	2.4
221.11765	0.9
223.13162	0.4
225.11438	1.4
225.14897	8.3
226.15320	0.4
227.12830	11.4
228.13202	0.5
235.08191	5.1
243.15956	3.5
253.09264	13.8
253.14510	0.7
254.09480	0.3
289.18210	0.3
291.19568	0.7
305.17502	1.5
305.20889	0.6
307.19159	0.8
323.18839	0.3
323.22318	1.0
325.20200	0.8
341.23297	51.3
342.23563	3.4
445.20624	1.4
461.20621	0.2
533.34918	1.8
541.26904	0.3
551.35480	0.5
577.32355	0.8
787.40851	1.0
788.41864	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	22.8
61.98708	55.7
71.01257	41.5
77.89648	7.7
78.95764	52.0
87.00757	12.7
88.93060	8.2
89.02364	9.7
96.95859	10.2
113.02328	16.2
146.37059	9.9
152.99504	18.1
163.11194	16.5
165.12857	14.7
171.10191	36.3
183.13777	35.4
195.13831	12.7
197.11717	39.3
201.11258	17.9
207.10158	29.8
209.11768	64.0
211.13341	34.7
215.12714	10.6
223.13354	100.0
225.11331	15.0
227.12752	24.9
235.08183	18.7
251.39056	9.8
253.09296	41.2
291.19617	32.7
293.21289	15.7
309.20767	83.5
341.23578	9.7
445.20084	11.3
459.22089	22.2
638.52057	10.0
751.41724	13.4
762.56116	10.8
787.41034	75.5
788.40399	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	787.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.7
58.00470	0.3
59.00948	0.3
59.01246	5.0
59.59240	0.3
60.36582	0.2
61.98694	0.7
62.71746	0.2
63.90747	0.2
69.03324	1.0
70.86668	0.7
71.01245	5.4
71.04884	0.5
72.99154	0.3
73.02821	1.3
75.00750	0.3
78.95773	2.4
79.95604	2.0
80.02536	1.3
81.03317	1.1
83.01244	0.8
83.04891	5.7
84.02044	1.8
85.02811	2.0
87.00746	2.8
89.02314	2.7
91.03896	0.3
93.03310	0.3
95.04892	1.5
96.95885	63.3
96.96777	3.7
97.02824	1.2
97.06463	3.5
97.95830	0.3
98.02327	0.3
98.06750	0.3
98.95461	0.5
99.00764	0.7
99.04382	0.7
99.92418	0.2
101.02315	4.0
101.88384	0.2
106.04121	0.3
107.04898	0.6
109.02822	0.3
109.06491	0.8
110.03625	0.3
111.08054	0.7
113.02358	2.1
115.07504	0.2
115.31022	0.3
116.92742	0.7
119.03377	1.0
121.02851	0.4
125.02316	0.6
125.05941	1.5
125.09624	1.8
127.07559	0.2
127.11233	1.1
127.53550	0.2
135.08066	1.2
137.09589	0.6
139.07527	1.1
141.09082	0.3
143.03348	0.3
145.04950	0.5
151.07579	0.5
153.09113	0.8
155.10725	0.5
161.04469	2.0
163.11197	4.0
165.09079	0.4
165.12784	2.6
169.08612	1.7
169.12279	0.4
171.10170	13.3
172.10542	0.5
175.10992	0.3
179.05537	0.6
181.12288	0.8
185.11739	0.9
191.10712	1.0
193.12286	4.0
194.12561	0.3
197.11777	1.4
197.15414	0.2
199.09647	0.4
199.13307	0.9
201.11253	11.2
202.11604	0.5
207.10193	1.2
209.11758	100.0
210.12100	4.8
211.13326	2.3
215.12785	0.6
221.11681	0.5
223.13287	0.3
225.11331	2.7
225.14893	5.3
226.15358	0.3
227.12820	11.1
228.13216	0.5
235.08183	6.1
243.15956	2.6
253.09254	13.2
253.14394	0.4
254.09689	0.4
269.95901	0.3
287.16409	0.4
289.18030	0.6
291.19611	0.9
292.27777	0.3
305.17615	2.0
305.21017	0.4
307.19073	2.0
309.20825	0.3
323.18588	0.6
323.22177	0.6
325.20209	1.8
327.21887	0.3
336.52567	0.3
341.23288	38.8
342.23593	3.6
407.19415	0.3
415.99460	0.3
437.20227	0.5
445.20865	1.4
463.21606	0.3
533.34875	1.2
541.26477	0.3
551.35663	0.4
577.32562	0.4
751.38879	0.4
769.40161	0.7
787.40942	1.9
788.42395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.2
61.98700	100.0
67.68839	0.1
70.44471	0.1
78.95778	0.3
80.96376	0.2
82.10928	0.1
85.02840	0.1
86.53672	0.1
88.07883	0.1
98.90541	0.1
114.97228	0.1
140.28566	0.1
164.60159	0.1
171.10207	0.1
195.46402	0.1
209.11772	0.9
210.12065	0.4
211.12225	0.1
211.13377	0.1
227.12976	0.1
249.47430	0.1
277.21710	0.6
278.21988	0.4
279.22507	0.2
280.22772	0.1
290.68973	0.1
295.22787	0.1
296.89764	0.1
299.63840	0.1
483.11835	0.1
786.49530	0.2
787.38318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.1
61.98700	100.0
62.98410	0.1
71.01250	0.2
78.95795	0.2
80.96394	0.4
93.19616	0.1
98.19758	0.2
112.01548	0.1
134.97481	0.1
185.11760	0.1
209.11723	0.6
210.12149	0.3
211.13399	0.4
225.11284	0.1
229.63249	0.1
277.21786	0.9
278.22104	0.9
279.22678	0.3
619.82965	0.1
787.40564	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.9
61.98694	13.7
63.92549	3.8
70.62719	14.1
71.01248	10.6
76.90590	4.4
78.95771	15.1
79.95613	13.6
80.96386	35.2
89.02303	5.0
94.97967	10.9
101.02319	6.7
113.02328	6.4
125.02304	6.0
164.98463	6.2
166.78151	4.2
171.10133	5.3
179.14056	4.0
195.13991	10.1
197.11780	10.6
205.12263	9.3
209.11763	7.1
211.13351	9.6
223.13348	100.0
224.13632	8.5
225.00771	8.0
227.12881	5.1
235.08252	15.7
253.09297	16.2
277.17932	5.0
291.19672	28.2
293.21252	11.1
309.20706	98.6
311.22205	4.9
459.22141	23.1
491.44553	4.5
527.28790	10.1
545.29736	21.7
630.62390	4.8
733.41937	9.6
751.42963	45.4
752.43195	6.4
787.39551	57.0
788.40985	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	785.469
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19907	0.6
59.01250	16.1
61.98703	5.3
69.03346	1.1
70.13680	1.1
70.14100	1.9
71.01256	1.7
73.02821	0.8
78.95782	1.3
80.96384	1.6
83.04908	1.1
89.02336	1.6
101.02320	2.4
113.02338	1.5
119.03378	0.8
153.12732	1.6
169.12276	5.3
170.65715	0.5
179.10754	0.7
185.11700	0.8
197.11772	100.0
198.12111	5.1
199.13301	1.2
209.11598	1.3
211.13336	1.7
227.12811	1.2
235.08192	2.1
253.09247	5.9
255.23405	0.8
277.21707	54.5
278.22119	4.8
279.23010	2.2
415.19925	1.2
433.20782	9.3
434.21213	0.7
443.75082	0.6
693.42090	0.6
785.41876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79681	0.1
59.01247	0.2
61.98700	100.0
62.10777	0.1
62.98425	0.2
71.56293	0.1
71.56750	0.2
78.35697	0.1
78.95786	0.4
79.95596	0.2
80.96382	0.9
85.02834	0.2
105.88170	0.1
150.21844	0.1
152.99538	0.1
183.13998	0.1
188.75551	0.1
209.11815	0.3
211.13301	0.9
212.13701	0.9
213.13963	0.4
241.32147	0.1
253.09355	0.2
277.21674	0.2
293.21164	0.6
294.21729	0.6
295.21896	0.2
593.92682	0.2
787.39282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	5.8
61.98701	100.0
71.01246	2.0
73.02807	1.0
78.95796	1.7
80.96395	3.6
82.95974	2.5
85.02830	1.0
94.97987	0.8
101.02336	1.2
113.02322	1.0
171.96465	0.8
185.11748	14.5
186.12080	1.0
197.11749	2.8
199.13448	1.6
200.13536	1.1
209.11766	4.7
210.12016	1.5
211.13348	17.5
225.00880	0.8
227.12860	3.3
228.13312	1.1
235.08170	2.9
253.09302	2.4
277.21710	46.1
278.22076	7.5
279.22525	2.3
420.14487	0.8
426.98260	0.7
447.21725	1.2
785.42212	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	785.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	27.3
61.98699	32.6
71.01257	11.3
72.81823	2.3
78.95782	11.4
78.98429	2.8
79.95612	4.8
80.96390	28.9
82.70056	2.8
82.95965	7.6
85.02813	6.6
89.02306	5.0
93.05277	2.5
94.97967	6.2
99.00729	3.8
101.02342	3.4
113.02343	5.1
152.99550	4.1
164.98483	3.2
166.43224	2.4
171.10217	3.4
183.13786	4.6
185.11745	65.9
186.12041	3.9
197.11766	4.8
209.11780	13.6
210.12054	7.1
211.13332	82.7
212.13708	5.3
225.00702	3.6
227.00327	2.9
227.12759	5.3
235.08199	3.1
253.09242	10.3
255.23328	4.5
277.21719	100.0
278.22119	20.7
279.22726	4.3
295.22772	8.4
296.23367	5.0
403.28543	2.6
447.22137	8.4
455.21890	2.6
521.45966	3.0
735.39478	3.2
785.42102	33.9
786.42236	3.3
801.32214	2.8
809.21039	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	785.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.3
59.01247	11.6
59.66153	0.7
61.98700	1.2
69.03331	1.9
69.55875	1.3
69.56281	4.0
71.01241	8.3
71.04901	0.7
72.99178	2.1
73.02802	0.8
75.00747	4.9
83.01232	1.1
83.04871	1.4
85.02824	6.0
87.00755	2.8
89.02328	3.8
95.01264	2.2
96.95877	9.9
97.02821	2.4
97.06467	1.2
99.00758	3.1
99.92458	1.5
101.01773	0.7
101.02309	4.1
103.00293	0.6
109.06477	1.0
111.08041	2.7
113.02338	5.5
114.41939	0.8
116.92725	11.8
116.97120	1.3
117.01809	1.3
117.90501	0.7
117.92719	5.7
118.92564	3.2
118.96826	2.3
119.03397	2.1
121.02850	6.9
125.02322	0.8
125.09602	1.6
137.09679	0.9
141.09055	0.7
143.03450	0.6
153.12708	1.4
161.04465	1.6
162.35837	0.7
163.11217	2.1
165.12752	3.1
169.12251	6.0
171.10159	3.1
173.84726	0.7
181.12222	1.2
183.13806	0.9
185.11772	0.9
193.12360	1.2
195.13826	2.8
197.11754	100.0
198.12085	4.5
199.13234	1.5
207.10216	2.4
209.04463	2.7
209.11749	24.8
210.12135	1.9
211.13347	7.3
212.13791	0.9
223.13315	5.9
225.11322	1.7
227.12747	4.9
235.08186	5.5
247.20618	1.3
253.09213	15.1
266.31052	0.8
275.20117	1.6
289.18051	2.5
291.19635	17.3
292.20151	1.6
293.21182	18.1
294.21484	1.3
307.18991	1.0
309.20685	36.4
310.21017	4.1
341.23416	1.7
343.08273	0.8
343.25049	1.7
433.20560	5.2
545.30054	1.9
636.60956	0.9
723.56470	0.9
738.08868	0.8
753.40558	10.1
754.41205	1.3
767.39362	1.0
785.43353	12.8
786.43341	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	785.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.3
57.03311	2.6
58.00447	2.3
59.01248	36.6
61.98688	4.9
69.03307	2.8
70.55264	1.1
71.01252	34.9
72.99164	3.1
73.02798	4.6
75.00722	3.0
78.95782	2.2
81.03313	2.1
83.01232	4.8
83.04881	3.2
85.02824	8.9
87.00748	10.5
89.02313	23.5
95.01228	2.4
95.04893	1.4
96.95886	5.7
97.02808	3.9
97.06462	1.6
98.95448	1.9
99.00742	3.8
100.85445	0.9
101.02323	16.2
107.04921	1.8
109.02867	1.3
109.06445	2.9
111.04380	1.3
111.08024	1.5
113.02319	11.6
119.03387	5.0
125.02318	7.3
132.85558	1.1
135.08063	1.7
137.09589	1.5
143.03389	2.9
145.04732	0.9
151.11215	1.0
161.04448	4.2
163.11179	1.4
169.12263	5.5
171.10213	5.6
179.05533	9.7
195.13792	2.3
197.11737	13.0
207.10143	2.2
209.11732	7.0
211.13310	6.4
213.14822	2.6
221.06601	3.4
221.11710	1.1
225.11174	3.2
227.12814	1.6
229.53154	1.7
235.08173	2.2
237.18491	1.3
239.16470	2.4
241.17969	1.4
245.19098	1.6
253.09190	3.1
262.99487	1.2
263.07639	1.9
265.18036	1.4
289.17944	2.0
291.19727	1.8
293.21155	3.6
309.20596	1.6
310.70352	1.1
313.25394	1.2
315.26813	3.0
317.28302	1.2
325.25314	5.6
341.24582	2.3
343.26337	6.1
351.23141	2.0
359.25977	6.0
361.27484	2.6
369.24338	7.9
387.25418	20.5
388.25433	2.8
397.13437	12.5
405.26425	40.9
406.26605	2.3
448.70581	1.0
459.06235	1.2
479.30179	1.8
620.81891	1.2
753.40552	5.0
757.40332	2.6
767.38568	2.6
785.39697	100.0
786.39941	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	785.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.4
59.01242	10.3
61.98684	4.4
63.44556	1.5
69.03317	1.5
69.41588	2.1
69.42000	9.9
71.01249	12.3
72.99179	1.8
75.00752	1.9
81.03320	2.3
83.01242	1.6
83.04897	6.3
83.61520	1.3
85.02807	3.8
87.00723	3.7
89.02323	6.7
91.29832	1.4
95.04920	1.7
96.95877	6.1
97.02783	2.4
97.06459	4.2
98.20596	3.0
99.00775	3.0
101.02309	7.8
108.90067	7.5
109.06474	2.4
113.02309	6.0
119.03369	1.9
121.02819	4.2
125.05944	1.8
125.09601	4.0
135.08017	2.6
143.17108	1.3
145.04898	1.6
161.04443	2.2
163.11153	6.4
165.12694	4.7
169.12247	2.8
171.10156	7.9
181.12193	1.9
183.13788	2.0
185.11693	4.2
191.10629	1.4
191.14311	2.7
195.13838	2.2
197.11766	17.4
205.12257	2.0
207.10168	4.8
209.11760	100.0
210.12119	6.4
211.13303	19.3
212.13512	1.8
223.13353	14.8
224.13666	8.2
225.11330	6.9
225.13261	1.6
226.15218	1.4
227.12860	15.6
235.08109	5.6
238.15160	2.5
245.19067	3.9
248.46922	1.3
253.09206	15.7
254.09596	1.9
263.20059	2.0
271.46323	1.4
287.16418	2.1
289.18048	23.8
290.18494	2.7
291.19647	3.1
293.21146	3.5
305.17563	7.1
307.19150	21.8
309.20624	5.8
310.20871	2.2
341.23370	9.5
342.23660	8.3
343.24030	5.0
408.35889	1.7
501.45071	1.4
525.27704	1.8
543.28168	2.6
735.39233	4.1
753.40942	4.2
785.42426	7.8
786.40704	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	785.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.3
57.03310	3.4
58.00459	1.7
59.01249	41.6
61.98685	2.0
69.03308	3.8
69.03638	0.7
71.01250	37.5
72.99177	4.5
73.02804	5.3
75.00761	4.2
78.95777	1.9
79.30898	0.8
81.03316	1.8
83.01293	4.0
83.04888	4.2
85.02817	12.8
87.00747	11.8
89.02315	24.8
90.06030	0.9
95.01239	3.8
95.04889	1.4
96.95882	10.1
97.02813	5.2
97.06459	2.2
99.00729	3.5
99.04372	0.9
101.01696	1.3
101.02315	18.6
103.00248	1.0
107.04925	1.3
109.06451	2.9
111.00726	1.7
111.04391	1.1
111.07992	1.6
113.01620	1.1
113.02330	15.0
119.03366	5.7
123.08012	1.0
125.02329	6.9
125.09584	1.8
129.01764	0.8
133.06448	0.9
135.08011	2.5
137.09601	2.5
141.01781	1.0
143.03357	1.7
149.04500	0.9
150.63582	0.7
151.11159	1.1
153.09059	1.0
157.01314	1.2
161.04459	4.7
161.09592	1.1
163.11169	2.9
163.94019	0.7
165.12810	1.3
169.12178	1.2
171.10098	4.3
179.05502	9.5
179.10728	2.4
179.14351	1.1
181.12230	1.1
185.11688	1.3
197.11737	13.6
207.10199	2.8
209.11780	23.1
210.12077	1.1
211.13289	5.3
213.14877	2.1
221.06587	4.0
221.11578	1.1
221.15384	1.0
223.13341	1.3
225.11203	2.8
227.12807	4.4
229.48129	0.9
231.17416	2.0
233.19060	1.0
235.08127	3.6
237.14809	1.1
239.12778	1.0
239.16510	2.0
241.18037	2.2
245.19023	1.1
247.13309	1.0
253.09215	3.3
261.18674	1.1
263.07748	2.0
267.19565	0.8
275.16504	1.6
277.18069	1.5
279.19861	0.9
289.18118	6.1
289.20880	1.2
293.21121	3.3
307.19183	7.6
309.20718	1.1
315.26950	2.9
325.25391	7.6
333.27963	2.2
341.24524	3.3
343.26361	6.6
351.23224	3.7
359.25882	6.3
360.26257	1.1
361.27393	3.5
369.24258	7.3
370.24625	1.3
377.26926	1.5
387.25369	18.8
388.25827	2.6
397.13531	12.7
405.26428	37.7
405.31818	1.8
406.26672	3.9
477.19815	1.3
479.29660	1.9
579.85181	0.9
584.29449	0.9
699.33099	2.1
753.39886	1.1
757.40326	1.1
767.38623	8.1
768.39276	2.2
785.39587	100.0
786.39874	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	785.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	12.4
61.98697	100.0
68.43605	5.0
71.01234	8.2
75.50530	5.0
78.95791	27.4
82.02766	4.9
89.02332	5.4
96.96944	5.0
116.27628	4.9
127.32949	5.0
138.78125	6.2
152.99492	7.8
167.10767	5.9
171.10156	10.2
173.23148	4.8
177.09792	5.2
180.09479	4.8
182.67987	4.9
195.10239	6.1
195.13904	7.2
197.11801	12.1
209.11751	17.3
211.13356	9.1
213.14886	6.6
223.13374	42.1
229.54518	6.9
237.95177	6.0
250.29117	5.5
253.09331	5.2
277.21713	19.9
293.21176	27.0
294.21158	7.3
295.22787	17.4
296.22900	5.5
307.19022	14.6
309.20743	5.4
311.22226	10.6
749.40601	7.0
762.86304	6.4
764.52051	5.8
785.49677	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30747	5.7
59.01252	14.3
61.98700	100.0
68.59695	6.1
69.03330	6.0
71.01255	6.8
78.95774	7.1
80.34813	6.4
80.96409	9.1
82.59969	5.6
88.95257	5.9
98.20561	21.3
98.42481	5.8
102.02700	6.8
109.06448	8.3
125.02372	7.2
171.10156	19.5
182.49883	6.6
192.82153	6.0
197.11798	6.0
207.10139	17.8
209.11786	17.6
210.12047	6.9
211.13339	19.0
223.13309	18.9
225.11198	18.3
253.09395	11.8
277.21783	13.9
289.18091	8.7
291.19388	9.6
293.21249	15.8
307.19193	18.3
341.23190	22.6
398.40009	7.1
398.58606	6.2
581.97217	6.3
785.39368	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	785.396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.4
57.03308	2.7
58.00452	1.9
59.01252	29.8
61.98698	5.1
69.03317	2.8
70.86240	1.6
70.86604	1.5
71.01254	32.4
72.99176	3.0
73.02809	4.0
75.00735	2.7
78.91751	1.0
78.95773	2.7
81.03315	1.8
83.01260	4.7
83.04877	1.8
85.02821	7.4
86.28462	0.7
86.75859	0.7
87.00746	7.8
89.02311	25.6
95.01262	2.4
95.04919	1.5
96.95888	6.6
97.02831	4.0
97.06462	1.2
98.95451	2.7
99.00744	2.5
101.01685	1.5
101.02311	18.4
107.04913	0.8
109.06445	2.4
111.00774	1.5
111.04387	1.4
111.08035	1.9
113.02332	11.1
119.03384	5.4
119.08620	1.0
125.02322	6.0
125.09590	1.7
131.03326	1.0
135.08037	1.2
137.09560	2.4
141.01674	0.8
143.03381	1.9
161.04463	2.5
163.11148	1.6
171.10161	3.5
179.05515	10.7
181.12144	1.2
185.11752	1.1
197.11755	5.1
203.14417	1.0
207.10106	1.3
209.11775	8.2
211.13405	4.9
213.14973	1.6
221.06630	3.9
223.13269	1.4
225.11313	1.8
227.12836	1.7
231.17570	1.4
235.08156	2.2
239.16408	2.6
241.17938	1.0
241.33041	0.9
245.19067	1.1
247.13293	1.0
249.14760	1.1
253.09200	3.4
255.61600	1.0
263.07614	1.8
275.16678	1.0
275.20221	1.3
289.17996	2.8
291.19641	1.8
293.21063	2.7
307.19223	1.6
309.20865	1.5
313.25366	1.7
315.26810	2.5
325.25220	5.4
333.27737	1.1
340.96539	1.0
341.24356	2.8
343.26364	4.5
345.14767	0.9
351.23276	2.5
359.25928	5.8
361.27438	2.4
369.24271	8.5
377.26868	1.7
385.13422	1.0
387.25406	19.6
388.25647	2.8
397.13467	12.1
405.26422	38.1
406.26697	3.9
423.75528	1.0
460.89886	0.9
479.30209	1.9
623.34784	1.1
753.40265	3.6
754.40729	1.0
757.39624	1.4
767.38721	2.4
785.39655	100.0
786.39954	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	783.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.3
58.00457	0.4
59.01249	8.6
61.98701	0.8
69.03311	2.8
69.58636	0.4
71.01247	6.0
71.04890	1.0
72.99178	0.8
73.02806	1.1
78.95779	3.1
79.95612	1.3
82.95294	0.5
83.01265	1.1
83.04893	1.3
84.02038	3.9
85.02812	2.2
85.06480	0.4
87.00735	1.1
89.02309	4.8
93.03316	0.6
95.01275	0.5
95.04919	1.2
96.95884	41.2
96.96769	2.4
97.02839	1.4
97.06461	6.5
98.19733	0.9
99.00761	1.0
99.04402	1.3
101.02322	5.5
103.17994	0.5
109.06470	0.9
111.04388	0.4
111.08038	0.7
113.02329	3.6
119.03380	1.2
119.08593	0.5
119.20326	0.5
125.09612	1.5
127.27093	0.4
133.88335	0.4
135.08023	0.5
136.94070	0.5
137.09656	1.0
141.93272	0.6
145.04970	0.8
147.90834	0.5
149.09581	0.6
151.11162	0.7
161.04488	1.9
161.13257	0.5
165.12686	0.6
167.10670	3.2
169.12241	0.6
171.10175	17.7
172.10506	0.7
175.11108	0.5
177.12744	1.2
179.05504	1.1
179.10709	1.4
179.14294	3.4
183.13878	0.5
185.11726	0.5
191.96066	0.5
193.12251	10.1
195.13834	9.8
196.14066	0.5
197.11729	1.7
201.10997	0.5
205.12260	8.1
206.12456	0.6
207.13741	0.5
209.11755	2.1
211.13321	4.2
212.13708	0.7
221.11725	1.7
223.13333	89.9
224.13669	5.9
225.11406	0.7
225.14886	13.9
226.15256	0.6
235.08170	5.4
237.14914	3.0
239.12817	1.9
243.15977	6.7
243.86449	0.4
244.16316	0.5
253.09253	21.9
253.14455	0.7
254.09555	0.9
255.15976	0.7
289.18082	0.8
291.19644	3.4
305.21146	0.9
307.19266	0.6
309.20587	1.3
323.22186	1.5
325.20172	0.6
341.23282	100.0
342.23611	9.2
441.21069	0.5
459.22372	8.6
460.22672	0.6
547.36322	4.5
548.36731	0.8
577.32404	3.8
678.76721	0.5
751.38629	0.5
783.43060	2.3
784.43774	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.5
57.03609	0.6
59.01247	7.5
61.98710	0.9
69.03330	3.4
71.01255	4.4
71.04874	0.8
71.57011	1.1
72.99189	0.8
73.02827	0.8
78.95773	3.7
79.95598	2.2
83.01256	1.2
83.04908	1.0
84.02032	1.8
85.02802	1.1
89.02321	4.0
90.22585	0.6
96.95885	100.0
96.96770	3.9
97.02836	0.6
97.06444	7.0
99.04395	1.5
101.02322	4.7
113.02345	1.9
117.34635	0.5
119.03359	0.5
125.02342	0.7
125.09605	1.6
125.76466	0.5
137.09608	0.7
140.43584	0.5
149.09662	0.7
161.04416	2.2
165.12730	0.8
167.10741	2.9
171.10184	10.7
175.11243	0.9
177.12735	1.0
177.51494	0.6
179.05579	1.0
179.10741	0.9
179.14334	2.4
185.11801	0.9
193.12254	8.9
194.12630	0.7
195.13815	8.5
197.11760	2.0
204.79874	0.6
205.12263	6.3
209.11752	2.2
211.13297	3.9
221.11752	1.7
223.13335	79.2
224.13667	4.0
225.14902	14.1
226.15274	0.6
235.08109	4.5
237.14938	8.1
238.14883	0.8
243.15994	5.9
253.09248	18.1
253.14429	1.2
254.09445	1.3
255.15889	0.8
289.18069	0.9
291.19672	3.2
293.21118	0.6
305.20950	0.6
309.20752	2.5
320.38831	0.8
323.22256	1.4
336.44955	0.7
341.23294	93.8
342.23660	7.6
377.33453	0.7
459.22299	7.1
460.22879	0.8
495.17419	0.7
547.36346	4.1
577.32269	4.3
783.42133	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	783.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68556	2.1
55.38186	1.9
59.01249	94.8
68.99685	6.3
69.93306	8.7
70.32883	2.0
77.11725	2.5
78.95787	3.9
96.99175	9.4
98.20445	2.9
115.59764	2.1
139.00281	6.1
140.98196	7.0
141.01759	6.5
161.79065	2.3
171.10179	2.5
209.11720	6.9
211.13254	5.0
215.78566	2.2
227.12825	7.6
277.21915	12.7
277.24661	2.7
291.19467	2.8
438.13101	2.9
453.77304	2.5
481.15164	27.6
482.15607	7.7
495.16757	8.4
540.16364	8.0
541.16602	4.0
555.18695	29.9
556.19183	6.4
572.15436	17.7
573.15619	2.4
586.17169	5.7
641.22394	28.7
642.22595	5.2
701.24591	100.0
702.24878	26.8
794.94397	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	783.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51007	4.2
57.03323	8.4
59.01251	29.1
61.98703	13.9
69.45548	4.4
71.01247	19.5
72.99211	5.1
73.33895	4.4
75.00735	10.2
78.95778	7.5
85.02829	12.7
87.00754	5.5
99.00730	8.5
101.02314	5.2
105.01833	8.3
113.02292	12.0
125.09562	7.7
169.12270	7.7
185.11778	5.4
193.12154	5.6
195.13835	5.6
197.11758	100.0
209.11780	21.7
211.13307	40.6
223.13422	31.3
227.12831	7.6
229.62596	6.2
235.08044	7.1
253.09193	7.5
277.21835	7.6
287.16635	9.6
289.18182	9.5
291.19736	10.3
293.21371	22.5
305.17551	22.7
307.19128	27.3
429.23965	5.3
445.21103	7.1
459.22232	5.2
543.28180	7.6
550.23914	5.3
747.39380	9.0
751.39514	12.9
783.40002	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	783.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85399	0.7
57.03316	1.4
57.80146	0.7
59.01249	14.8
61.98690	1.5
69.03329	0.8
69.89674	0.7
71.01253	4.6
73.02811	1.2
75.00737	0.8
78.95757	1.2
79.32323	0.6
81.03324	1.3
83.01247	0.9
85.02833	1.5
87.00774	0.9
89.02302	2.6
95.01230	0.8
96.95877	1.4
97.02841	0.7
97.06460	2.1
101.02319	2.5
112.32446	0.7
113.02309	2.3
123.04324	0.9
123.08021	1.2
125.02327	0.7
125.09608	2.2
135.08037	0.7
137.09578	0.9
153.12732	1.3
161.04456	1.2
163.11203	3.0
165.12895	0.9
169.12244	5.7
179.10666	0.8
185.11751	2.7
191.14326	3.0
197.11751	100.0
198.12083	3.9
207.10168	2.3
209.11754	7.3
211.13371	3.7
223.13242	0.8
225.11229	2.5
229.29115	0.7
235.08173	2.4
237.11267	1.0
245.19095	5.6
253.09277	7.4
263.20209	1.9
271.17151	0.9
273.17044	0.7
277.21539	0.7
289.18069	27.3
290.18411	1.8
291.19720	1.4
293.21191	2.2
303.33066	0.8
307.19131	25.4
308.19690	1.7
309.20950	0.7
321.98212	0.8
348.11301	0.7
433.20810	3.3
451.23660	0.7
469.29361	0.9
487.30722	1.6
497.40607	0.7
525.26770	0.8
607.31354	2.3
752.41931	0.7
783.41724	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	781.423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.3
59.45159	1.6
60.01601	1.7
61.98699	3.0
71.01241	4.7
71.33669	1.7
71.36600	1.7
72.89767	1.6
72.99184	4.6
75.00745	2.9
78.95778	2.4
83.04892	5.9
88.98656	10.4
89.02309	4.0
95.03859	1.5
96.95880	5.9
98.20544	3.8
101.02323	3.4
112.41348	1.6
113.02384	1.6
113.90543	1.9
141.07118	1.7
146.03647	2.1
161.04472	1.9
163.11192	2.1
165.12805	3.2
169.01384	2.5
171.10175	4.0
175.03958	1.8
183.13831	4.7
191.73170	1.7
193.12212	1.5
197.11835	2.1
207.10246	1.5
209.11768	96.2
210.12096	5.5
211.13330	100.0
212.13719	4.1
227.12772	12.9
229.82970	1.9
235.08253	3.6
253.09207	9.3
323.22302	1.7
372.57886	1.7
411.49350	2.1
445.20587	4.1
447.22256	7.0
528.59326	1.8
639.33661	2.3
781.36938	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	781.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
59.01248	16.5
61.98704	0.8
65.28352	0.6
70.58887	1.5
71.01253	6.1
71.04886	0.8
73.02810	1.3
76.03743	0.6
78.95773	36.8
78.98463	1.2
79.95614	1.3
80.02541	1.2
80.96386	10.3
81.03310	1.3
83.01242	1.2
83.04899	4.0
84.02059	0.8
85.02828	1.8
87.00757	1.8
89.02316	2.1
90.85736	0.5
93.07831	0.6
94.97965	2.5
95.04899	1.4
96.96830	9.1
97.02823	6.4
97.06437	1.3
99.00756	10.2
101.02307	3.0
109.06523	1.5
110.03613	1.5
113.02322	1.9
120.94765	0.6
124.71487	0.5
125.02333	1.4
125.09599	1.9
134.97440	0.7
135.07991	1.4
136.05170	1.0
142.02618	2.0
148.98988	0.8
152.98434	0.5
152.99515	8.0
153.12790	0.9
161.04495	1.4
163.11201	11.1
164.98528	2.4
165.12744	2.1
179.10669	0.9
181.12263	17.9
182.12611	0.6
191.10770	0.9
197.11841	0.9
199.13309	2.0
207.10188	47.6
208.10532	1.4
209.11761	34.8
210.12077	1.9
223.00031	2.4
225.00732	3.6
225.11263	100.0
226.11629	4.0
227.12813	5.8
235.08167	2.3
241.01138	20.5
243.12325	11.8
243.14665	0.9
253.09286	2.7
255.23248	21.3
256.23654	0.9
259.02332	1.7
277.21704	88.4
278.22122	4.6
279.19421	0.7
299.14810	1.2
317.16238	0.7
363.12094	1.3
391.22421	1.8
443.19186	3.4
461.20248	43.8
462.20493	2.8
487.84653	0.6
525.17346	0.9
553.27399	0.7
721.41595	25.3
722.41095	3.3
763.39703	0.7
781.41229	67.3
782.41595	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	781.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03301	0.6
59.01245	13.3
69.47651	0.5
70.43468	1.7
70.43835	0.8
71.01250	5.1
73.02811	1.3
78.95771	35.5
79.95610	1.2
80.02523	0.6
80.96387	9.3
81.03320	1.3
83.01263	0.8
83.04889	4.0
84.02048	1.2
85.02832	1.9
87.00763	1.6
89.02310	1.6
94.97941	2.6
95.04931	0.6
96.96827	6.8
97.02827	3.1
97.06480	0.6
98.19823	0.7
99.00753	6.4
99.54813	0.5
101.02335	2.7
103.28516	0.5
109.06458	1.3
110.03654	0.7
113.02327	1.5
122.97490	0.9
123.08094	0.6
125.02305	1.3
125.05956	0.9
125.09658	1.4
134.97495	0.8
134.98431	0.8
135.08005	0.9
142.02568	0.9
145.04861	0.8
148.99037	1.1
149.77336	0.5
152.99518	7.0
163.11179	7.2
164.98509	1.4
165.12778	1.6
181.12251	9.1
191.10733	1.2
197.11819	0.9
199.13326	1.2
207.10175	25.2
208.10533	1.6
209.11758	29.2
210.12154	1.4
211.13269	0.7
223.00035	2.3
225.00700	2.9
225.11256	51.5
226.11586	2.2
227.12828	5.3
233.36128	0.6
235.08228	2.9
241.01144	16.2
243.12260	6.5
253.09213	2.7
255.23244	19.8
256.23535	1.9
259.02145	1.5
277.21701	100.0
278.22046	7.0
291.19763	0.9
353.12103	0.6
363.12167	1.8
387.16422	0.6
391.22568	0.9
443.19086	3.5
461.20200	6.2
462.20670	0.6
553.27643	1.2
721.41602	17.9
722.42084	2.6
781.41180	54.5
782.41687	10.7
800.47498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	0.5
59.01247	20.9
68.11876	0.3
69.03316	2.4
71.01245	3.5
71.04883	0.7
73.02818	0.7
78.95770	2.2
83.01247	0.5
83.04868	0.7
85.02818	0.8
87.00755	0.7
89.02311	2.2
93.03378	0.3
95.04906	0.3
96.96824	0.4
97.02875	0.3
97.06512	0.3
98.20583	0.6
101.02349	2.0
109.06443	1.4
113.02321	1.5
119.03367	0.6
125.09628	0.3
149.09647	0.5
152.99448	0.5
161.04469	1.1
161.13217	0.7
167.10689	2.8
177.12675	0.4
179.05505	1.0
179.10672	1.1
179.14334	2.8
195.13823	9.8
196.14163	0.4
205.12265	8.8
206.12584	0.6
207.10188	0.9
212.10655	0.3
223.13329	100.0
224.13687	4.8
225.11118	0.4
229.24683	0.4
235.08128	1.8
235.61850	0.3
241.01045	0.6
253.09270	7.6
255.23273	1.1
277.21689	61.5
278.22037	4.5
314.41132	0.3
377.85748	0.3
441.21289	2.2
459.22314	16.2
460.22614	1.8
513.30414	0.5
719.43628	1.9
779.39746	2.7
780.40680	0.5
789.75409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.476
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24677	12.4
78.95771	54.9
107.27511	2.7
112.21127	2.4
129.09058	4.5
152.99487	75.2
169.12230	4.0
169.46635	3.0
171.00597	8.0
181.12270	6.8
183.13802	4.9
197.11803	15.7
211.13362	22.4
227.03203	10.5
253.21681	26.0
255.23187	20.1
293.21167	20.8
311.22220	47.4
355.26941	3.2
423.00064	2.9
447.21353	7.0
521.25153	5.5
539.26239	100.0
540.26373	9.3
578.75177	3.1
620.05603	3.1
775.47699	61.7
776.48352	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	777.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12192	3.2
59.01249	8.2
61.98694	15.1
69.85684	16.0
69.86129	7.7
71.01254	8.2
78.95779	5.1
124.16211	4.1
125.02390	4.4
137.94257	3.7
145.02835	3.8
152.99486	3.7
171.10201	5.8
201.11253	44.7
201.12990	5.8
202.11523	3.8
209.11765	68.2
210.11938	4.9
211.13278	7.8
227.12823	15.7
235.08223	10.0
253.09273	16.7
277.21698	100.0
278.22025	8.6
291.19659	5.2
293.21307	9.4
437.20401	5.3
445.20889	6.4
495.83380	3.8
513.30499	8.2
697.41876	4.2
777.42261	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	36.0
61.89540	22.7
61.98700	100.0
65.58965	20.5
71.01255	26.7
71.56483	23.1
78.95779	65.8
96.28751	23.0
97.53654	28.5
97.88357	20.4
125.02352	50.0
152.99460	39.4
197.11778	62.2
211.13307	84.7
222.63420	27.6
249.10988	31.4
249.14854	36.3
263.89047	27.4
293.21164	69.4
309.20590	72.0
318.89407	22.9
333.69235	25.2
445.41968	24.4
777.42230	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.8
59.01236	4.9
69.49784	9.0
69.50206	3.1
71.01235	4.5
73.02808	1.6
79.24380	1.3
81.03344	3.9
83.01260	8.3
87.32567	1.4
89.02313	3.0
93.03345	3.7
95.04900	4.6
96.95879	1.9
97.02844	7.5
98.19564	1.5
101.02319	2.4
107.04900	2.1
109.02827	37.4
113.02320	1.5
117.03410	1.6
119.04897	1.9
121.02840	5.8
122.03616	4.4
123.00750	1.5
123.04416	16.9
125.02322	21.3
133.81718	1.5
135.03415	1.9
135.04411	39.2
136.01534	1.6
137.02333	27.2
138.03038	1.7
139.03894	5.7
145.02829	23.3
146.03569	4.3
146.17543	1.4
147.04425	2.0
149.02332	12.5
150.03136	9.0
151.03911	17.7
159.04425	6.2
160.05235	2.4
161.02347	5.9
161.04750	1.2
161.05959	9.1
162.03081	3.5
163.03871	4.7
164.01070	3.8
165.01828	13.3
165.05489	6.6
166.06271	6.3
167.03439	2.8
167.07033	1.6
171.10188	18.0
172.84050	1.3
173.05959	1.9
175.03908	6.0
175.07547	2.3
177.05457	3.1
179.03394	8.1
181.08609	16.8
182.08969	1.7
185.05972	2.0
187.03883	7.2
188.04663	3.1
195.06593	4.5
201.05557	2.6
201.11194	2.3
202.06270	4.2
203.03484	1.9
203.07074	17.1
204.04216	2.4
205.04974	12.6
209.11786	18.7
216.07895	3.5
217.05002	3.3
217.08600	2.8
219.06566	4.8
221.08215	1.9
227.07047	2.9
227.12860	4.6
229.05122	2.0
230.05774	1.8
231.03004	1.8
231.10172	3.0
245.08183	16.4
247.06041	3.4
254.05838	2.1
255.06493	2.0
269.08209	12.2
271.06149	3.1
283.06094	3.6
284.06891	3.4
289.07169	92.5
290.07455	3.3
297.07574	41.4
298.08188	4.7
311.05704	1.8
311.09177	2.6
312.09970	18.3
313.06934	1.9
313.10388	2.9
325.07187	2.2
327.12344	100.0
328.12796	7.8
329.10287	4.8
357.13040	3.7
369.13516	3.2
379.12488	2.2
397.13351	8.0
435.10980	5.3
445.11249	2.7
448.34412	1.8
449.12271	5.2
463.13785	4.2
481.14948	26.8
482.15045	1.9
489.17581	36.6
490.18030	5.2
573.21301	2.0
597.16125	12.9
617.20313	8.7
627.20612	5.4
779.25488	25.1
780.25549	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	775.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36395	8.5
68.92620	7.3
70.14767	38.0
78.95789	10.5
95.38798	9.8
96.95882	33.2
127.08596	8.3
171.10202	9.7
197.11783	17.5
211.13365	100.0
227.12840	22.8
253.09261	12.7
291.19733	29.5
293.21182	14.6
309.20682	56.2
567.02441	9.3
739.42975	11.6
775.40076	44.5
776.40680	9.9
784.03046	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	775.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	8.5
61.98688	5.0
64.46704	2.7
64.92834	3.0
69.37431	22.8
69.37834	3.8
71.01256	4.5
75.00711	4.0
78.95776	40.4
94.84813	3.0
96.95879	25.2
96.96833	4.3
98.40715	2.7
113.02321	3.0
150.59924	2.8
150.61188	2.9
152.99489	19.1
165.53047	2.9
166.57919	2.6
169.27470	2.7
171.10301	3.9
183.13840	4.2
193.12222	3.3
197.11731	6.7
209.11731	5.4
211.13316	100.0
212.13692	4.0
212.62633	2.6
227.12782	5.0
235.08165	5.6
242.32758	2.9
253.09203	7.8
258.23590	2.8
291.19711	25.0
292.19904	3.4
293.21292	13.2
309.20660	71.4
310.21048	4.0
311.22211	3.3
329.23151	3.3
447.22464	14.5
463.20898	5.1
527.28558	9.9
545.29529	20.3
721.41455	4.3
739.42944	32.1
740.42926	7.7
775.41852	24.7
776.42120	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	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53473	2.9
65.32992	3.2
66.47658	3.0
70.33252	5.2
70.33645	7.8
77.52223	3.3
78.95744	3.5
97.92406	2.8
98.19787	4.2
99.50605	3.1
155.31828	3.2
165.58179	3.1
171.10172	3.8
209.11769	100.0
210.12120	6.9
223.13467	3.4
227.12791	20.8
253.09309	12.7
293.21237	58.1
294.21634	5.4
425.79572	3.6
445.20792	12.3
461.83145	3.9
496.85971	3.6
775.39972	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69588	30.4
75.94494	31.8
91.67934	29.5
121.35185	29.0
211.13353	100.0
261.07401	30.7
277.21857	61.0
283.63184	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30991	0.1
59.01242	0.1
65.35810	0.1
76.30882	0.1
78.95773	4.6
79.95605	2.6
83.02365	0.2
96.95888	100.0
96.96777	6.4
97.95789	0.2
97.96351	0.1
98.02345	0.7
125.02302	0.1
136.03035	0.1
143.48535	0.1
150.03096	0.1
152.99631	0.1
165.05428	0.1
181.04886	0.1
210.70140	0.1
217.17287	0.1
227.39610	0.1
333.23181	0.1
418.83527	0.1
499.28494	0.1
503.36234	0.1
512.42181	0.1
523.16174	0.1
716.50800	0.4
775.47876	0.2
791.24817	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	775.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46801	0.4
58.00452	0.9
59.01249	45.1
60.01586	0.6
64.82145	0.4
69.08756	0.4
69.39586	3.9
70.23271	0.4
71.01249	11.0
72.99182	1.0
73.02825	0.9
73.66183	0.4
83.01234	0.4
85.02824	2.3
87.00729	0.7
89.02312	11.4
95.01252	1.2
101.02322	9.3
113.02328	5.4
119.03396	3.8
123.92733	0.4
125.02313	0.5
128.19702	0.4
153.72467	0.5
163.11177	5.9
198.20055	0.4
207.10184	9.5
208.10640	0.7
387.16580	100.0
388.16980	8.5
729.52618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.8
61.98693	7.2
66.54609	2.7
70.01203	12.9
71.01253	5.8
71.29223	2.8
96.95861	7.4
101.02325	5.4
152.99464	4.8
171.10168	4.9
172.22128	3.1
195.13852	4.6
209.11771	100.0
210.12077	6.8
211.13326	13.0
223.13284	5.2
227.12849	19.3
235.08208	6.7
253.09312	24.5
275.20151	8.1
291.19638	6.4
293.21210	91.9
294.21527	8.0
445.20508	11.1
734.80322	3.6
739.41864	3.9
775.40387	34.7
776.40857	7.5
794.87000	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	775.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	7.5
61.98701	19.0
70.02121	22.8
71.49039	4.7
72.73093	5.1
78.95763	16.2
87.02848	5.2
89.02261	4.8
90.15392	5.2
110.12635	4.9
149.13315	4.9
152.99538	6.9
162.19455	4.6
171.10204	5.6
183.13870	7.9
197.11726	16.8
198.42046	4.7
209.11717	8.3
211.11398	10.0
211.13322	100.0
212.13684	9.3
226.84438	5.7
235.08064	10.0
249.14909	15.4
253.09215	22.0
289.18079	13.0
291.19611	21.5
291.80264	4.7
293.21335	12.0
309.20663	52.1
380.93982	4.7
447.22372	12.4
489.52609	5.0
660.96570	5.1
739.41925	6.7
775.39819	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31507	2.1
59.01255	16.2
61.98690	2.7
70.94366	2.7
70.94735	6.0
71.01254	18.4
78.95749	5.9
83.04878	2.5
97.02806	6.5
99.00774	2.9
101.02331	4.9
109.06467	25.2
110.48746	2.1
111.76164	2.2
113.02338	2.7
119.03365	2.4
125.09628	2.1
141.39110	2.4
145.02826	4.4
152.99463	5.1
161.04451	3.2
163.11179	19.5
166.95567	2.3
171.10104	7.1
181.12265	7.1
189.09023	2.7
192.75307	2.2
207.10193	100.0
208.10616	3.4
209.11757	9.8
225.11250	52.3
226.11601	2.7
235.08127	5.0
253.09241	21.4
255.56654	2.5
274.95258	2.4
277.21698	91.3
278.22021	6.2
443.18967	4.3
461.20230	20.4
462.20233	2.7
721.41553	18.3
722.42438	8.3
775.49683	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	775.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00448	0.7
59.01233	1.6
64.62508	0.7
65.00181	2.5
68.99677	0.9
69.03324	1.6
70.76342	2.2
71.01245	0.9
72.99170	0.8
83.01250	2.6
85.02828	0.8
87.04400	1.3
89.02309	0.8
93.03350	1.2
95.01229	1.6
96.95871	1.4
97.02796	1.0
101.02311	0.8
107.01276	8.7
108.02030	1.6
109.02798	2.0
111.00753	1.2
121.02840	6.1
123.00784	3.3
124.01516	0.9
125.02332	41.5
125.74625	0.7
126.02651	0.9
133.06363	0.8
139.00240	2.1
140.00999	1.0
143.03358	2.2
148.01535	0.8
149.02325	1.8
150.03143	4.6
151.00269	30.3
152.00620	0.7
161.02405	1.1
163.00323	5.1
164.01106	1.1
165.01782	1.5
165.05464	4.1
166.02588	0.9
166.99728	1.7
168.00522	2.3
169.01331	56.6
170.01656	1.3
177.01842	0.9
178.02721	0.8
178.99780	12.2
183.02901	6.4
187.03888	1.2
195.06517	4.1
199.03926	1.1
201.05447	1.4
205.04877	0.7
206.10550	0.7
211.03883	1.2
227.03430	2.6
229.04956	1.2
233.04390	0.7
237.03976	1.1
243.02983	6.0
244.03206	0.7
245.04475	1.8
254.02225	1.2
255.02946	20.3
256.03326	1.6
266.02362	0.7
271.02457	42.0
272.02838	3.5
273.04086	1.6
283.02481	1.5
295.04550	3.1
299.01959	4.8
300.02728	82.2
301.03491	100.0
302.03882	6.0
315.07068	1.5
327.07187	3.0
417.15427	1.4
427.06485	1.7
441.09772	0.9
447.09299	97.1
448.09616	10.0
459.09183	2.3
460.10016	0.8
489.87436	0.8
589.55048	0.8
591.13092	0.8
597.08905	10.6
598.09393	1.8
599.10291	1.8
605.14935	5.8
613.23444	1.0
629.11536	8.5
630.11591	1.5
698.45166	0.8
743.14624	8.1
744.15051	2.2
775.17346	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89555	2.2
59.01228	3.2
71.01241	3.6
84.65363	2.3
85.02821	2.8
87.00735	2.4
96.95889	40.3
96.96806	2.9
98.95464	2.6
107.25201	2.2
113.08779	2.2
113.11098	3.0
114.62947	2.4
122.31236	2.5
123.18781	2.2
171.10121	4.0
199.59679	2.8
209.11768	100.0
210.12148	4.4
211.00339	2.7
227.12837	33.5
235.08168	4.5
253.09190	6.6
327.21851	12.2
382.12167	2.6
384.99756	2.7
425.43118	2.8
445.20709	9.2
513.46143	2.6
647.62085	2.5
673.34058	3.4
773.37103	15.3
774.37311	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	773.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01272	21.9
61.98690	39.4
70.37287	17.1
71.01236	23.8
71.56498	19.7
78.95783	100.0
82.01687	16.6
88.64996	17.6
89.02365	15.6
96.95911	34.1
101.75410	15.9
101.83994	14.8
125.02292	21.0
129.21812	15.1
152.99538	46.1
163.81850	16.1
171.10197	33.0
209.11780	43.3
211.13371	98.4
212.13582	16.0
232.15475	16.4
248.46982	19.1
289.17957	29.6
306.38263	19.4
307.19153	45.3
549.01984	20.3
584.08044	19.0
588.64758	19.7
699.29517	23.9
773.40698	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
56.93772	0.3
57.03326	1.5
59.01247	5.1
60.96518	0.3
63.77837	0.3
66.36258	0.3
69.03319	1.1
70.63708	1.1
71.01255	4.0
73.02821	0.9
79.95610	0.3
80.02545	1.2
81.03329	1.3
83.01247	1.0
83.04891	5.0
84.02059	1.1
85.02824	5.1
87.00758	1.0
89.02314	2.6
95.01241	0.4
95.04881	0.8
96.95895	5.0
97.02840	1.5
97.06466	2.0
101.02332	3.7
107.68774	0.4
109.06513	0.5
113.02334	2.2
116.92749	1.2
119.03384	0.8
119.08594	0.3
125.05957	0.8
125.09601	1.0
127.11149	1.0
131.03325	0.4
133.05013	0.3
135.08086	0.7
137.09616	1.5
143.03426	0.5
145.04955	0.7
153.09036	0.4
155.10690	0.4
161.04463	2.1
163.11212	3.3
165.12766	2.3
167.14290	0.4
171.10175	15.3
172.10535	0.4
177.12845	0.6
181.12282	0.9
183.13762	2.1
185.11749	0.6
191.10716	1.1
193.12183	0.6
197.11812	0.4
201.11304	0.4
209.11763	100.0
210.12093	5.2
211.13329	8.8
212.13544	0.3
213.46698	0.3
221.11841	1.5
227.12845	13.3
228.13153	0.9
229.14394	7.1
235.08179	7.0
239.12843	1.3
253.09256	17.5
254.09627	0.5
262.61093	0.4
291.19714	3.1
309.20691	7.4
310.20828	0.6
327.21741	60.4
328.22083	4.4
345.63980	0.4
433.26102	0.3
445.20724	1.4
456.35364	0.4
519.33209	0.8
537.33704	0.5
545.29907	1.1
563.30737	2.6
693.17590	0.5
740.99377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	0.5
65.27744	0.1
67.99956	0.1
71.01245	1.8
73.02818	0.1
76.32095	0.1
78.95770	4.3
79.95602	2.9
85.02814	0.2
87.00757	0.1
89.02324	0.2
90.97011	0.1
91.32536	0.1
95.97475	0.1
96.95885	100.0
96.96770	5.3
97.95813	0.3
98.02397	0.2
99.00747	0.2
101.02304	0.2
102.49531	0.1
109.06461	0.1
113.02325	0.2
116.92728	0.2
117.92790	0.1
118.96511	0.2
125.09617	0.1
132.40361	0.1
144.98149	0.1
152.99487	0.2
163.11082	0.1
171.10175	1.7
172.10519	0.1
181.12271	0.1
182.99715	0.1
185.11737	0.1
195.13879	0.1
197.11678	0.2
198.99168	0.1
199.09689	0.3
199.13454	0.1
201.11246	0.4
207.10211	0.5
209.11769	0.5
211.13310	0.6
212.13661	0.2
213.14899	0.1
217.00217	0.1
222.99149	0.1
223.13301	0.2
225.11308	0.5
226.39133	0.1
235.08195	0.3
253.09383	0.5
259.01230	0.1
271.15515	0.1
277.21780	0.3
291.04047	0.2
293.21271	0.9
309.20792	0.1
311.22226	0.6
327.21701	0.1
333.05045	0.1
335.02664	0.1
341.23184	0.1
354.92151	0.1
361.04410	0.3
366.40311	0.1
388.57086	0.1
397.13651	0.2
407.17258	0.4
415.14914	0.1
435.08231	0.7
453.09225	1.4
454.10071	0.1
461.20425	0.2
506.16867	0.1
593.26587	0.2
672.43903	0.1
713.30621	1.2
714.31213	0.3
773.42169	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.3
61.98691	0.2
71.01247	0.8
71.57032	0.1
71.67771	0.1
75.00741	0.1
77.08537	0.1
77.80789	0.1
78.95777	4.3
79.95605	2.8
83.01243	0.1
89.02320	0.1
90.97038	0.1
96.95890	100.0
96.96775	4.8
97.02827	0.1
97.95837	0.3
98.90513	0.1
99.00756	0.2
101.02303	0.2
118.96552	0.2
125.02315	0.2
144.98111	0.2
146.96024	0.2
152.99477	0.3
170.99564	0.1
171.10201	0.2
182.99609	0.1
185.11819	0.2
201.00856	0.1
209.11772	1.0
210.12088	0.3
211.13391	0.5
213.15004	0.1
227.12993	0.1
230.81305	0.1
253.09265	0.2
259.21136	0.1
277.02536	0.1
277.21729	0.3
289.18231	0.3
291.04037	0.1
291.19687	0.2
291.60568	0.1
293.21204	0.3
294.21576	0.2
311.22208	0.1
323.49283	0.1
327.21619	0.2
361.04507	0.3
397.13596	0.3
407.17401	0.5
408.91010	0.1
415.14456	0.1
435.08292	0.7
447.97382	0.1
453.09146	1.3
454.09695	0.1
495.10278	0.1
593.26270	0.2
713.30688	1.3
714.30994	0.2
773.41803	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	771.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.5
59.01251	7.5
59.01494	1.3
61.98697	3.8
69.40649	9.1
69.41052	1.9
71.01257	14.2
72.99179	1.7
73.02822	1.6
78.95789	4.1
81.03337	1.2
83.04893	4.1
83.98470	1.3
84.02058	1.2
85.02816	2.9
87.00749	2.3
89.02307	4.2
92.92708	1.1
94.92381	6.2
94.97905	1.4
95.04905	1.1
96.95889	3.7
97.02821	1.5
97.06458	2.3
98.20547	2.1
99.00777	2.0
101.02319	5.0
109.06517	2.8
113.02325	2.7
125.09660	1.3
161.04425	1.7
163.11267	4.3
165.12743	2.2
169.12238	1.7
171.10181	10.9
181.12259	1.4
183.13823	3.7
185.11794	2.0
195.13818	4.2
197.11758	7.5
199.13252	3.0
201.11255	2.5
207.10196	10.1
209.11766	100.0
210.12108	5.6
211.13290	15.7
223.13362	3.7
225.11333	8.4
227.12808	15.2
229.14375	3.6
235.08179	4.8
253.09264	18.5
275.20172	4.4
289.18088	2.3
291.19589	5.2
293.21222	54.1
294.21475	3.2
307.18903	2.6
309.20728	11.8
325.23871	1.5
327.21698	5.5
341.23187	3.8
438.00323	1.4
445.20529	1.4
461.20142	2.1
753.40338	4.7
771.41559	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	771.453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	17.0
61.77785	5.5
61.98693	4.6
70.94352	9.8
71.01250	71.0
77.80025	4.1
78.95738	7.8
80.96378	4.4
89.02280	5.0
99.00769	6.7
101.02326	7.6
104.98906	4.2
108.78793	4.3
109.06441	21.1
113.02316	4.9
161.09644	4.9
163.11168	18.6
171.10191	16.5
181.12222	17.9
185.11720	12.5
197.11697	5.1
199.13322	9.0
201.11238	7.7
207.10179	67.6
209.11732	6.0
211.13318	17.6
225.11273	61.1
227.12573	5.0
235.08179	5.3
243.12294	13.1
253.09323	10.3
255.23216	5.6
259.87137	5.8
277.21713	100.0
278.22015	9.5
284.11160	4.2
374.77023	4.6
461.20358	14.6
480.57022	5.3
579.79517	4.9
631.82898	4.6
690.00116	4.9
721.41315	8.4
739.42297	19.3
771.45410	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
57.03312	0.7
57.37749	0.3
59.01253	4.6
61.98693	0.6
69.03316	0.5
70.87132	0.9
71.01252	4.3
71.04889	1.1
72.99192	0.3
73.02819	0.8
76.83049	0.3
80.02544	1.2
81.03333	1.3
83.01257	0.7
83.04891	5.1
84.02051	0.7
85.02803	1.8
87.00756	0.7
89.02309	2.5
93.03324	0.4
95.04898	1.2
96.95887	4.4
96.96861	0.4
97.02812	1.1
97.03386	0.3
97.06448	1.0
101.02321	3.7
107.04888	0.6
109.02824	0.5
109.06460	4.6
111.08049	0.4
113.02313	1.8
115.07504	0.5
119.03375	0.7
125.02356	0.4
125.05936	1.0
125.09590	1.6
127.07538	1.3
135.08034	1.0
143.03403	0.4
148.40909	0.4
151.11127	0.4
153.08189	0.4
153.09140	3.6
155.10684	0.4
161.04454	1.8
163.11192	4.1
165.12752	2.8
169.12260	0.7
171.10170	12.0
172.10510	0.5
178.09952	0.8
179.10574	0.4
181.12267	1.4
185.11839	2.2
191.10713	1.7
191.14319	0.4
193.12268	0.5
195.88672	0.3
197.11763	8.9
198.12163	0.8
199.13336	1.0
201.11246	1.1
207.10201	2.4
209.11760	100.0
210.12085	5.1
211.13321	5.5
212.13570	0.5
221.11737	0.9
223.13319	0.5
225.11237	2.6
227.12842	12.7
228.13185	0.5
235.08182	3.4
235.13393	1.1
237.14879	0.6
238.12083	0.7
245.19086	0.7
249.15013	0.5
253.09268	11.0
254.09711	0.5
267.16318	0.5
279.19995	0.5
289.18079	5.7
290.18356	0.4
291.19604	1.1
297.20749	0.4
307.19131	18.3
308.19418	1.5
309.20740	1.6
325.20175	23.5
326.20697	2.0
327.21597	1.4
345.20810	0.5
407.19177	0.6
425.60562	0.3
443.19470	0.4
445.20819	1.0
461.20218	0.4
462.94382	0.4
463.21304	0.4
525.27069	1.2
543.28223	4.1
544.28723	0.5
561.29102	1.2
735.39941	2.2
736.40839	0.4
753.40149	2.4
754.40649	0.6
771.42316	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	771.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
57.03326	3.2
58.00449	3.2
59.01249	18.8
69.03331	4.1
70.63254	4.1
71.01250	60.1
72.99176	2.0
73.02821	6.9
75.00738	1.5
80.02547	2.2
81.03338	4.2
83.01258	2.8
83.04885	5.3
83.78701	1.2
84.02027	1.6
85.02821	8.3
87.00755	6.1
89.02306	9.4
95.01250	2.0
95.04903	4.8
96.95887	17.1
96.96820	1.7
97.02832	10.9
97.06458	4.4
99.00739	3.6
101.02309	11.3
109.06468	11.3
110.03645	2.1
111.04370	1.9
111.08038	4.3
113.02302	7.3
119.03396	2.5
123.04419	1.3
125.02372	2.4
125.05987	2.2
125.09611	7.9
127.11188	5.0
135.08044	3.8
137.09651	4.1
139.07529	2.3
141.12778	1.4
143.03325	2.6
151.11154	2.0
153.09085	2.0
153.12772	1.3
155.10658	2.5
161.04456	5.6
163.11183	15.8
165.09125	3.0
165.12723	8.4
167.10687	2.1
167.72328	1.2
169.12103	2.0
171.10172	100.0
172.10481	2.4
179.05554	1.9
179.10680	2.3
181.12257	7.9
183.13832	3.5
185.11734	9.1
189.09097	2.1
193.12270	3.4
197.11778	17.9
199.09698	1.8
199.13351	3.2
201.11247	44.8
202.11592	2.2
207.10197	41.2
208.10609	2.5
209.11765	63.4
210.12119	2.5
211.13332	39.4
215.12810	4.5
216.68326	1.4
217.16087	1.3
225.11266	65.8
226.11606	3.2
227.12840	12.0
230.75961	1.4
235.08211	12.5
243.12274	3.2
243.15837	1.4
245.19029	3.6
247.20679	3.4
253.09270	32.6
254.09750	1.7
289.18158	8.4
291.19653	51.8
292.19949	4.6
293.21329	1.6
295.10217	2.1
307.19153	7.3
309.20697	88.9
310.21100	7.8
341.23282	19.4
399.36212	1.5
443.18988	3.8
461.20248	11.1
678.11450	1.6
753.40656	8.0
754.41223	2.1
771.42114	12.0
775.50940	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	769.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97197	2.7
59.01236	8.2
60.99178	13.8
69.47635	21.4
71.01234	3.4
72.99178	91.5
75.00758	3.2
81.03325	18.1
83.04893	43.6
84.05228	2.9
88.00294	4.3
88.98676	88.0
89.02309	14.4
89.99004	10.8
90.01826	10.2
90.99110	7.2
91.00240	6.8
94.56956	3.1
96.95855	3.2
98.39706	2.4
101.02350	3.6
105.41413	2.8
123.04385	2.8
125.02332	11.2
125.07088	4.2
139.25186	2.9
144.55835	2.7
162.89827	2.8
165.01660	2.4
168.99066	2.4
169.01361	4.1
207.14903	3.9
224.17668	7.5
225.16040	24.9
289.07190	4.0
333.23120	3.8
334.21167	2.8
447.09085	3.0
450.34567	4.4
451.32742	10.5
577.41034	4.8
595.41797	5.0
673.46533	26.6
674.46820	8.6
675.47980	48.1
676.48370	33.7
677.49634	100.0
678.49695	18.4
691.47528	27.4
692.47864	17.5
709.50293	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	771.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04525	0.1
61.98690	0.4
65.15799	0.1
71.01234	0.2
71.58170	0.2
73.59275	0.1
78.95777	4.9
79.95606	2.9
79.96077	0.1
80.50778	0.1
93.68975	0.1
94.97978	0.1
96.95890	100.0
96.96780	5.9
97.95814	0.2
98.02342	0.1
118.96525	0.2
125.02355	0.1
166.05843	0.1
171.10263	0.2
209.11757	0.8
211.13217	0.1
216.56116	0.1
251.21191	0.1
265.07559	1.1
289.07455	0.1
291.03940	0.3
307.08633	0.2
325.09750	0.1
325.20419	0.1
327.12469	0.1
457.19199	0.4
475.20297	0.1
483.15359	0.5
501.16504	0.1
520.12250	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.5
57.03310	2.2
58.00466	2.0
59.01247	20.8
61.98689	2.5
69.03323	4.7
71.01252	62.2
72.99194	1.3
73.02807	7.4
78.82252	1.2
78.95757	2.4
80.02535	2.1
81.03319	3.8
83.01211	2.1
83.04890	8.7
84.02065	1.8
85.02827	8.2
87.00754	5.6
89.02314	10.4
95.01260	2.6
95.04873	3.2
96.95886	41.0
96.96858	3.3
97.02821	11.0
97.06458	5.3
99.00750	4.2
101.02316	11.9
106.04063	1.3
109.06487	12.1
110.03651	1.4
111.00742	2.1
111.08030	7.0
113.02309	7.4
119.03352	2.2
119.08533	1.5
123.04446	2.3
123.08056	2.1
125.05894	1.3
125.09602	10.4
127.11150	5.3
131.03442	1.3
135.07997	1.9
137.09598	3.2
139.07529	2.4
143.03380	2.3
145.04970	1.5
147.11391	1.1
151.11198	1.9
153.12723	1.9
155.10674	4.2
155.22650	1.3
157.12173	1.8
160.37509	1.4
161.04422	5.5
161.09639	2.4
163.11171	17.1
165.09123	1.6
165.12769	7.6
169.12241	3.6
171.10170	100.0
172.10454	4.4
177.12724	1.1
179.05487	2.0
179.10686	3.0
181.12231	9.5
183.10164	1.7
183.13805	5.9
185.11708	7.7
189.09125	4.1
191.10735	1.7
191.14337	2.7
193.12238	4.5
193.15930	1.5
197.11758	28.6
198.12128	1.6
199.13298	2.4
201.11267	40.5
201.70142	1.4
202.11559	3.0
207.10191	38.5
208.10582	2.0
209.11755	66.1
210.12030	4.5
211.13326	63.4
212.13733	2.4
215.12798	6.3
219.24538	1.3
223.13271	2.0
225.11258	65.9
225.14717	2.7
226.11552	3.9
227.12799	17.1
235.08171	15.5
237.11324	1.3
243.12294	4.2
245.18982	3.6
247.20624	3.5
253.09247	38.9
253.14435	2.0
254.09445	2.1
263.20135	2.4
273.18497	3.0
289.18140	9.7
291.19626	48.1
292.20007	5.3
293.21271	3.9
295.10324	2.2
307.19171	9.4
309.20688	91.9
310.20993	7.9
325.20154	2.6
327.21609	1.8
341.23297	26.6
342.23621	2.0
407.18979	1.7
423.57385	1.6
443.19290	3.1
447.22324	3.4
461.20282	13.4
479.21161	2.0
493.31680	1.5
517.32294	1.4
669.92938	1.4
753.40985	7.8
771.41632	16.9
772.41681	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	769.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70650	1.8
57.03309	3.7
59.01245	19.6
71.01247	34.0
71.56037	3.4
72.99170	9.0
75.00738	24.1
78.95766	11.3
80.96367	2.1
81.03333	3.0
83.01227	2.4
83.04889	7.8
85.02812	26.8
87.00735	9.1
89.02304	6.6
95.01252	5.9
99.00749	14.3
103.00217	2.2
113.02323	24.5
117.01769	3.5
125.09572	2.4
129.01833	3.3
163.11180	6.3
164.29468	2.0
171.10176	8.8
175.02399	6.1
182.85863	2.2
185.11699	4.9
187.64432	2.0
195.13795	6.1
201.11417	2.1
207.10158	3.1
209.11751	79.5
210.12218	3.4
211.13335	2.9
213.11169	4.6
225.11140	4.7
227.12814	9.0
249.06213	2.5
253.09212	5.9
277.21689	88.8
278.22018	6.3
293.21222	12.9
294.21494	7.2
295.22729	12.5
296.23102	12.0
307.19086	2.4
486.11731	2.5
527.28632	5.6
543.39441	2.0
737.41101	100.0
738.41644	16.4
769.43457	62.4
770.43610	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	769.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.9
56.12551	0.4
57.03314	1.9
59.01242	9.0
61.98696	1.3
69.03323	4.8
70.44050	1.6
71.01248	8.9
71.04883	1.0
72.99191	0.8
73.02795	2.2
75.00741	0.8
80.02518	0.7
81.03304	0.8
83.01256	1.8
83.04894	2.1
84.02039	0.6
85.02814	8.5
85.06448	0.7
87.00744	1.8
89.02310	5.1
93.03339	0.5
95.01245	1.0
95.04891	1.6
96.95892	1.9
97.02818	2.1
97.06470	2.7
97.47540	0.5
99.00763	1.0
101.02325	7.1
106.04116	0.5
109.02839	0.6
109.06483	1.5
110.03654	0.5
111.08077	0.7
113.02325	4.8
119.03397	2.2
119.08541	0.6
123.08057	1.2
125.09609	1.7
127.11162	1.3
137.09619	2.2
141.09099	1.0
143.03395	1.3
145.04916	1.4
149.09605	0.7
151.11168	0.9
155.10693	1.0
155.14397	0.6
161.04457	3.4
163.11211	1.4
165.12743	1.3
167.10663	2.9
167.14366	0.5
169.12242	1.4
171.10170	23.6
172.10475	1.0
177.12766	1.9
179.05478	1.2
179.10640	2.0
179.14302	2.9
181.12280	1.1
183.13794	1.9
185.11742	1.1
186.99011	0.5
191.14311	0.7
195.13832	12.4
196.14178	0.5
197.11777	4.1
199.05792	0.5
201.11221	1.8
205.12260	9.7
207.10207	1.6
209.11740	10.7
211.13333	12.0
212.13657	0.5
221.11800	2.8
223.13333	100.0
224.13687	4.8
225.11263	3.5
225.14975	0.5
227.12843	2.0
229.14377	7.8
235.08183	16.5
239.12869	2.0
247.13333	0.9
253.09261	25.1
254.09654	0.5
265.14441	0.8
289.18042	2.9
291.19647	5.2
305.17648	2.2
307.19086	1.7
309.20697	12.3
310.20969	0.9
327.21735	82.6
328.22052	5.3
459.22330	16.1
460.22806	1.6
533.34906	1.6
545.29626	2.7
563.30823	5.3
751.39972	0.7
769.40308	8.0
770.41168	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40377	0.7
55.01765	0.7
57.03321	3.7
59.01241	9.9
59.38380	0.7
61.98701	7.6
69.03321	4.9
71.01246	11.5
71.04866	0.9
72.99149	1.7
73.02810	2.0
73.72331	0.7
75.00745	5.0
79.67430	0.7
80.02567	1.3
81.03310	1.0
83.01264	1.3
83.04903	3.7
84.02023	1.3
84.05246	0.7
84.15183	0.7
85.02818	7.7
87.00733	3.2
89.02309	4.5
95.01216	1.3
95.04874	1.2
96.72010	0.8
96.95884	1.9
97.02823	2.1
97.06451	2.3
99.00751	4.7
101.02320	5.2
107.04900	0.8
109.06448	2.4
111.08046	5.0
113.02328	7.9
119.03409	0.9
123.08022	2.2
125.09622	3.7
127.00003	0.8
135.08037	1.1
137.09538	1.0
145.04893	1.0
149.09550	1.4
151.11162	2.3
153.09099	0.9
153.12711	1.7
161.04414	1.6
161.09630	3.6
163.11227	3.8
165.12685	2.5
167.10701	1.0
169.12215	3.3
171.10162	12.3
177.12766	1.2
179.10692	8.3
181.12236	3.0
183.13805	1.0
185.11778	1.0
195.13750	1.4
197.11761	78.0
198.12123	3.9
199.13292	1.6
201.11218	2.7
207.10172	3.2
209.11765	30.7
209.13757	1.5
210.12108	1.1
211.13275	4.6
221.11649	1.7
223.09731	1.9
223.13297	2.6
225.11296	6.1
227.12877	5.5
235.08177	2.6
235.13269	2.4
241.10669	3.5
247.13303	2.3
253.09157	6.6
263.20065	1.3
265.14514	1.6
287.16351	1.7
289.18146	6.7
291.19598	4.2
293.21161	1.2
305.17474	3.2
307.19104	3.4
309.20651	5.3
327.21704	3.5
461.20157	1.1
477.20010	2.3
541.26123	1.1
559.27197	1.2
664.04852	1.0
671.33795	1.0
751.38989	2.6
764.98157	0.8
769.40088	100.0
770.40503	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	769.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49604	0.6
55.01768	0.7
57.03305	2.1
57.04816	0.7
59.01249	7.6
61.98703	4.5
69.03330	4.9
71.01249	9.5
71.04902	1.3
72.99167	0.7
73.02836	1.1
74.61699	0.6
75.00748	2.5
81.03316	1.4
83.01266	1.2
83.04889	2.7
85.02822	3.2
87.00735	1.7
89.02321	4.0
95.01260	1.2
95.04929	0.8
96.95882	2.2
97.06442	1.1
99.00744	2.6
101.02341	4.7
101.02886	0.8
109.06478	1.8
111.08043	6.1
113.02344	4.2
123.08047	1.4
125.09624	3.2
127.07568	0.9
137.09564	0.9
149.09573	0.8
151.11198	3.0
153.12762	2.6
161.04437	1.6
161.09647	3.6
163.11172	1.6
165.12677	1.0
168.19368	0.7
169.12263	3.3
171.10196	11.3
179.10684	7.6
181.12215	2.2
183.13803	1.7
185.11652	0.7
191.14360	1.0
197.11763	81.4
198.12123	4.8
199.13310	1.0
201.11200	0.8
207.10214	3.0
209.11774	13.3
211.13385	6.1
221.11761	0.9
223.09781	1.7
223.13301	2.2
225.11275	6.6
227.12834	2.8
235.08179	1.8
239.93919	0.7
241.10794	2.3
253.09218	5.2
263.20148	1.6
289.18073	2.5
291.19699	3.6
305.17468	1.3
307.19135	2.2
308.19406	0.9
309.20694	7.5
327.21689	2.2
459.18539	1.2
461.20471	1.0
470.98752	0.8
473.24557	0.8
477.19821	1.5
486.54041	0.8
686.11462	0.8
751.39429	1.8
769.40143	100.0
770.40588	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	769.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29774	1.1
57.03314	1.3
59.01248	6.1
61.98698	7.2
63.96089	2.3
69.03307	1.3
69.15199	1.1
69.28770	8.9
69.29192	3.7
71.01249	21.8
72.99175	6.7
73.02814	4.2
75.03307	1.3
77.09636	1.3
78.95760	1.7
78.98472	7.6
79.95598	16.3
80.96386	90.5
81.03338	2.2
83.01241	3.2
85.02814	9.5
87.00748	4.5
88.11990	1.1
89.02319	5.0
90.78288	1.2
94.97954	22.2
95.01278	1.5
96.95888	6.9
97.02830	2.5
99.00756	4.6
101.02318	11.5
101.57449	1.1
106.97952	4.5
108.02068	1.2
109.02844	1.4
113.02316	7.6
115.00218	2.2
119.03421	2.8
119.04916	13.4
122.97446	2.4
123.00663	1.4
123.04372	1.9
125.02332	12.8
127.03898	1.7
134.97469	5.3
136.98978	2.4
137.02324	2.1
143.03371	2.4
144.59804	1.1
145.02835	1.8
145.06273	1.3
148.99048	7.8
149.55466	1.1
152.98517	8.8
161.04468	7.2
163.11214	1.5
164.39687	1.1
164.98540	16.7
166.06219	1.6
169.01285	6.2
175.38921	1.2
179.03371	1.4
206.99585	4.6
209.08116	3.8
209.11740	6.7
225.00694	29.2
289.07339	2.7
323.09799	24.6
324.10217	2.5
481.15045	1.6
509.17300	2.9
541.19727	1.9
716.93323	1.4
769.33215	100.0
770.33752	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	769.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.2
58.00454	0.8
59.00981	1.0
59.01247	11.3
61.98699	3.4
63.12471	0.6
64.35501	0.6
69.03333	4.7
69.60249	1.7
69.60664	2.9
71.01244	11.6
71.04883	2.0
73.02812	2.8
75.00738	0.8
75.85829	0.6
80.02578	0.8
81.03322	1.2
83.01253	1.7
83.04895	3.2
84.02044	1.1
85.02814	7.8
87.00735	2.9
89.02318	4.4
93.03341	0.8
95.01217	0.7
95.04902	1.9
96.95886	3.0
97.02811	2.2
97.06451	2.2
99.00741	1.7
101.02322	9.7
103.82111	0.7
106.04115	1.0
107.04898	1.2
109.06455	3.7
111.00735	0.7
111.04384	0.9
111.08040	2.0
113.02336	5.2
119.03374	1.9
121.06496	1.0
123.04400	0.7
123.08033	1.0
125.02353	1.1
125.09602	3.0
127.11173	1.8
135.08038	1.0
137.09563	3.1
145.04955	2.2
149.09595	2.3
151.11182	0.7
153.12766	0.6
155.10667	1.2
161.04414	3.5
161.09673	1.0
163.11124	3.7
165.12758	2.3
167.10693	3.5
167.14272	0.8
169.12285	1.6
171.10168	36.6
172.10533	0.9
177.09157	0.8
177.12727	2.2
179.10660	3.1
179.14270	3.6
181.12292	1.4
183.10222	0.8
183.13774	2.0
185.11711	1.6
191.14398	1.5
193.12201	0.6
195.13815	13.3
197.11769	13.0
201.11235	5.5
205.08733	0.6
205.12289	10.3
207.10173	6.0
209.11755	28.0
210.12184	1.3
211.13351	10.9
221.11760	2.2
223.13341	100.0
224.13710	2.4
225.11270	10.8
227.12762	5.2
229.14357	5.9
235.08197	17.5
235.13242	1.6
239.12834	1.5
241.10699	0.8
243.12401	1.3
245.19093	0.9
247.13138	0.9
253.09262	24.0
261.18713	1.0
279.19815	0.8
287.16653	1.7
289.18066	13.3
291.19678	5.3
293.21213	0.9
305.17590	2.5
307.19080	4.0
309.20715	10.6
310.20990	0.9
327.21753	61.9
328.22101	2.7
331.19183	0.6
459.22354	16.6
460.22726	1.3
461.20413	2.4
533.34692	1.7
545.29852	2.7
563.30737	1.9
733.38470	1.1
751.39612	1.3
769.40253	17.5
770.41284	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	767.422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.8
59.01245	14.3
60.99173	2.0
61.98699	2.2
65.03812	1.2
69.03316	4.4
71.01251	14.0
71.04871	1.3
71.57665	1.3
72.99195	1.6
73.02813	3.7
75.00761	1.1
78.95734	1.3
80.02559	1.3
81.03321	2.5
83.01242	2.9
83.04891	6.4
83.27878	0.9
84.02032	1.5
85.02831	5.9
87.00741	5.1
88.00248	1.0
88.98666	4.4
89.02317	8.5
93.03330	1.1
95.04898	5.5
96.95889	1.1
97.02830	11.9
97.06449	3.0
99.00727	1.9
101.02322	10.5
107.04913	1.3
109.02801	1.4
109.06451	4.0
110.03592	2.3
111.04411	2.5
113.02324	5.2
119.03334	1.4
121.06564	1.2
123.04379	2.3
123.08040	1.2
125.02323	1.6
125.09592	7.0
133.17549	1.4
137.09599	3.4
141.01817	1.1
145.04852	1.5
149.09645	1.8
151.11165	2.0
159.11688	1.4
161.04445	3.9
163.11192	5.5
165.12741	6.2
167.10687	5.4
171.10164	8.0
175.11206	1.8
177.12769	9.9
179.05554	1.1
179.10764	1.6
179.14294	4.2
181.12204	2.5
183.13817	2.8
185.11789	4.5
191.14323	2.9
193.12251	4.0
195.13834	11.5
197.11739	5.1
203.10640	4.0
203.31140	1.0
205.12296	6.0
207.10234	2.4
209.11775	11.9
211.13324	13.9
221.11774	62.5
222.12141	2.6
223.13335	50.4
224.13722	2.2
225.11301	2.3
226.12126	1.2
227.12808	3.6
235.08223	7.7
237.11331	2.3
237.14917	2.0
239.12842	100.0
240.13127	3.9
245.19127	5.0
247.20619	3.5
253.09254	26.1
273.18579	1.9
289.18076	17.1
290.18408	1.6
291.19644	41.6
292.20023	3.6
293.21100	3.2
307.19138	12.8
309.20691	53.2
310.20996	3.7
457.20908	5.3
475.21796	8.7
513.32117	1.5
588.29810	1.1
749.40479	1.4
767.42041	12.6
768.42590	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	767.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	16.7
59.78629	0.3
70.13548	1.2
71.01253	2.8
73.02818	0.9
76.91145	0.3
78.75249	0.4
80.96391	1.0
83.01298	0.3
85.02831	0.6
87.00722	0.6
89.02338	1.6
93.08499	0.3
98.19847	0.3
101.02316	2.3
113.02352	1.2
157.96158	0.3
161.04465	1.0
167.14394	0.4
183.13826	4.0
193.12315	0.9
194.72980	0.3
211.13338	76.6
212.13683	3.9
230.86549	0.3
235.08189	5.3
240.28606	0.4
253.09276	9.0
254.09583	0.4
275.20267	0.4
277.21710	100.0
278.22021	7.9
429.21265	1.0
447.22372	2.3
513.30518	1.2
516.57513	0.3
529.39050	0.4
767.42096	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	767.3856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.6
57.03305	2.2
59.01243	12.6
61.98695	8.0
69.03309	5.0
69.86076	5.9
70.98099	1.0
71.01251	14.5
71.04903	2.6
72.99154	3.0
73.02808	3.2
73.64879	1.1
75.00758	6.7
80.02544	1.7
80.91534	1.7
81.03319	2.2
83.01239	3.0
83.04896	6.2
85.02821	10.6
87.00723	4.7
89.02310	4.2
92.92660	1.8
93.03368	1.2
95.01247	1.9
95.04897	2.5
96.95874	5.1
97.02811	3.4
97.06447	3.6
99.00739	5.1
99.07987	1.2
101.02306	7.1
106.30216	1.1
109.06445	4.7
111.08055	2.2
113.02319	7.1
117.18354	1.2
121.06454	1.6
123.04391	2.2
123.08003	2.8
125.09615	6.3
137.09566	2.0
145.83435	1.0
149.05956	1.3
151.11186	3.6
161.04437	1.4
161.09578	3.6
163.11249	7.5
165.12706	1.5
167.10664	2.1
169.12083	1.3
171.10179	4.1
174.27635	1.1
177.12712	1.9
179.10687	9.8
179.14362	1.5
181.12161	1.8
183.13829	1.5
185.11775	5.4
191.10689	1.2
191.14261	2.5
193.12291	1.7
195.13774	5.0
197.11758	70.3
198.12085	3.5
203.37193	1.3
205.12221	4.5
207.10202	4.3
209.11757	26.0
210.12187	2.5
211.13324	7.7
221.11771	10.7
223.09695	2.5
223.13339	42.8
224.13626	1.7
225.11281	3.9
227.12834	3.7
235.08119	5.8
237.11276	1.9
239.12846	7.1
241.10706	3.9
245.19009	4.1
253.09235	12.4
263.20093	4.7
264.49060	1.1
281.21005	2.9
289.18036	8.9
291.19583	3.0
305.17807	1.2
307.19055	7.7
309.20593	7.2
325.20172	19.7
349.98926	1.2
459.22208	3.9
477.19812	2.1
520.22717	1.3
651.30280	1.4
669.31311	4.6
749.39380	1.9
767.38562	100.0
768.39111	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	767.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24017	0.6
57.03319	0.9
58.00485	0.7
59.01249	12.4
61.98700	22.7
69.03323	3.4
69.86566	3.1
71.01247	11.9
71.04879	1.8
72.99184	1.1
73.02819	2.9
75.00730	0.8
80.02540	0.8
81.03316	1.9
83.01246	1.5
83.04897	5.8
83.74579	0.6
85.02811	3.6
85.06425	1.1
87.00749	2.4
89.02322	5.3
93.03371	0.8
95.01221	0.7
95.04905	1.5
96.95874	2.5
97.02831	0.9
97.06458	1.7
98.34390	0.6
99.00744	1.6
99.04370	1.5
99.80511	0.6
101.02319	8.0
106.04114	0.8
109.06451	2.7
110.03629	0.8
110.89651	0.7
111.08029	1.3
112.05161	1.2
113.02326	4.4
115.07542	2.0
119.03366	1.4
123.04422	0.8
123.08063	0.9
125.02316	0.9
125.05959	1.3
125.09615	5.4
127.07507	3.6
135.08028	2.3
135.98372	0.7
139.07570	0.9
141.09145	1.0
145.04974	1.0
149.09627	1.2
153.09119	18.8
155.10655	1.9
161.04459	2.9
163.11159	3.8
165.12802	2.6
167.10681	4.1
171.10176	26.7
172.10468	1.2
177.12775	1.5
178.09914	2.0
179.05551	2.4
179.10669	1.2
179.14307	3.1
181.12306	1.7
183.13853	2.3
185.11774	6.2
191.10689	2.5
191.14330	2.1
193.12244	1.5
195.13855	11.3
196.14067	0.8
197.11790	9.1
205.12262	10.5
206.12703	0.7
207.10182	2.4
209.11758	53.2
210.11992	1.8
211.02333	0.7
211.13329	20.4
212.13680	10.3
213.13908	2.8
221.11807	3.0
223.13338	100.0
224.13673	3.8
225.11304	1.7
227.12979	1.9
235.08212	5.6
237.15051	1.2
238.12048	2.1
239.12825	2.7
245.19016	3.6
253.09227	17.0
256.13293	0.9
263.20132	1.5
277.18143	0.9
279.19812	1.7
289.18066	14.6
290.18469	1.6
297.20685	0.9
307.19147	71.0
308.19376	4.5
309.20773	1.5
325.20200	36.0
326.20490	2.0
375.70187	0.8
407.18808	1.3
438.59250	0.7
447.22528	0.9
448.22595	1.7
449.23233	1.0
459.22327	6.4
474.21375	0.9
525.27081	4.2
531.33063	1.1
543.28070	19.4
544.28442	2.3
561.28961	4.7
613.32068	1.4
625.34760	0.9
680.34186	2.7
731.40057	1.5
740.65857	0.7
749.41162	10.9
750.41510	2.0
767.41565	6.0
768.40240	0.8
787.03864	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	2.7
59.01249	13.7
61.98674	1.6
66.62067	1.0
68.99703	1.4
69.03333	2.0
71.01249	20.1
72.99187	7.0
73.02804	1.4
75.00742	21.9
83.01231	1.2
83.04919	1.2
85.02820	21.6
87.00743	13.8
88.00211	1.3
89.02293	2.4
95.01252	6.5
97.02821	1.7
99.00748	14.9
103.00247	1.6
111.08015	4.1
113.02325	22.6
117.01807	3.0
129.01833	1.7
131.03403	1.1
139.00275	1.6
141.01508	1.6
149.98738	1.2
157.01335	5.8
165.12662	1.2
167.10698	1.5
169.12271	2.5
171.10152	2.7
175.02394	3.7
179.14336	1.8
195.13791	8.4
197.11755	21.1
205.12254	5.4
209.11761	2.1
211.13330	3.9
221.11777	3.1
221.93512	1.1
223.13324	27.1
224.05843	1.2
224.13611	2.1
227.12839	1.2
229.46436	1.5
237.14928	1.2
239.12852	3.1
241.43549	1.3
249.06076	2.9
289.17969	1.7
291.19708	3.1
307.18835	1.4
309.20715	5.8
327.21707	1.6
455.18759	1.4
473.20135	2.2
506.69797	1.2
541.26672	1.8
555.53564	1.2
559.27393	4.1
577.60675	1.2
635.93225	1.2
667.33057	2.6
747.39655	3.5
765.40594	100.0
766.40814	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	765.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.7
59.01244	0.9
63.96107	2.2
69.03326	1.1
70.52725	1.6
71.01254	9.5
73.02814	1.3
78.98468	7.3
79.95604	15.8
80.96386	88.1
81.03330	1.2
83.01263	0.7
84.74304	0.6
87.00746	2.6
94.97955	21.4
95.01273	0.7
96.95892	1.3
97.02802	1.7
101.02296	3.2
106.97965	3.3
122.97436	3.0
125.02340	3.9
127.03975	0.7
134.97459	6.0
136.99084	1.6
141.01549	0.6
148.99059	6.5
152.98529	7.6
152.99669	0.9
164.98546	14.3
165.98839	0.9
188.98550	0.7
206.99576	3.8
209.11757	1.0
225.00694	26.2
255.23267	2.1
509.16763	3.6
537.27051	1.7
665.40723	0.9
765.40930	100.0
766.41351	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	765.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.9
60.88420	0.1
61.34937	0.2
61.98699	1.3
69.03312	0.4
71.01246	1.6
71.12115	0.2
71.12428	0.2
72.99175	0.4
73.02802	0.2
77.32339	0.2
78.91733	0.2
78.95779	0.3
83.04888	0.4
85.02821	0.6
87.00780	0.3
88.98672	0.4
89.02325	1.2
95.04895	0.2
101.02322	1.3
109.06466	0.4
113.02303	0.8
119.03417	0.3
131.71117	0.1
141.09189	0.2
149.09654	0.2
155.10672	0.3
161.04404	0.6
165.12766	0.3
167.10687	0.4
167.14319	0.6
171.10168	0.7
179.05515	0.2
181.12305	0.2
183.13817	6.4
184.14127	0.3
193.12262	1.7
195.13870	0.2
209.11806	0.6
211.13326	100.0
212.13675	5.5
221.11781	0.9
223.13329	1.2
235.08186	1.6
239.12845	0.3
253.09230	3.6
287.16647	0.2
289.18118	1.0
305.17590	0.4
307.19104	0.2
387.25491	0.6
400.33719	0.2
405.26648	0.2
429.21243	2.1
447.22321	11.1
448.22552	0.9
597.32690	0.3
623.34204	3.3
624.34302	0.8
641.35425	2.6
642.35571	0.6
765.40796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07580	0.1
58.31018	0.1
59.01246	0.3
61.42561	0.1
61.98700	1.0
62.32513	0.1
64.52367	0.1
71.01251	0.3
71.57425	0.2
72.99165	0.2
75.00737	0.6
78.95775	3.9
79.95606	2.8
83.24434	0.1
95.97510	0.1
96.95885	100.0
96.96767	4.9
97.95820	0.4
98.02356	0.2
101.02319	0.2
105.54993	0.1
131.04921	0.1
149.05994	1.1
163.11177	0.1
171.10132	0.3
197.11758	0.2
207.10178	0.2
209.11783	0.5
211.13303	0.4
217.48831	0.1
219.98552	0.1
223.13322	0.4
225.11240	0.3
229.42200	0.1
253.09351	0.2
265.07578	0.5
305.17569	0.2
307.08646	0.2
309.21106	0.1
352.33530	0.1
471.20685	0.2
497.16861	0.2
553.20270	0.1
555.52686	0.1
610.69989	0.2
749.38098	0.3
767.38025	0.5
774.78241	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90942	2.5
55.39280	2.4
55.40530	2.8
56.64872	2.3
59.01241	5.1
61.98698	7.5
71.01232	5.5
71.57800	2.6
71.58221	3.8
72.99161	5.3
75.00697	2.7
77.20667	2.4
78.26437	2.5
83.04912	3.4
88.98699	6.5
89.02330	4.3
95.01241	2.9
96.95874	5.4
119.04938	3.5
125.02351	19.0
146.03528	2.5
163.11211	5.0
168.09192	2.7
169.01288	18.2
171.10136	4.0
181.94478	2.6
209.11758	100.0
210.12091	6.3
211.13261	5.3
227.12788	15.5
253.09286	4.3
283.04221	2.6
299.09097	3.2
313.05536	3.6
487.28268	3.1
495.49060	2.7
765.16895	16.3
765.34436	9.2
766.16754	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	765.406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.6
59.01247	20.7
61.98698	2.6
69.03325	4.1
71.00938	1.0
71.01258	11.2
71.04888	2.6
72.99192	1.6
73.02819	1.3
73.15861	0.8
75.00746	2.2
76.81799	1.0
81.03324	1.5
83.01254	1.9
83.04895	3.4
85.02820	6.4
85.16843	0.7
87.00752	2.7
87.04367	0.9
89.02320	3.8
89.09534	0.9
91.40676	0.9
93.03338	2.0
95.01256	2.5
95.04920	2.8
96.95946	1.1
97.02836	1.7
97.06435	1.3
99.00747	2.3
101.02322	7.4
106.04124	2.0
107.04888	4.0
108.02170	0.9
108.95766	0.9
109.06469	5.8
111.08051	0.9
113.02331	6.7
118.92541	0.9
119.03394	1.5
125.02351	1.6
125.09637	0.9
135.08025	1.2
135.11687	1.4
139.03900	0.9
141.01604	6.5
145.04953	1.1
149.09615	1.6
151.07524	1.9
151.11197	0.9
161.04436	2.8
167.10724	4.9
171.10161	2.7
177.12743	7.1
179.10721	1.5
179.14336	4.7
184.82990	0.9
189.12781	1.6
191.14287	3.2
195.13828	22.5
197.11765	1.4
203.10658	3.7
203.14334	1.2
205.12270	12.0
207.13702	2.0
209.11632	0.9
209.15367	2.9
211.13303	4.1
219.13954	1.4
221.11789	9.3
221.15338	2.3
223.13339	100.0
224.13721	4.9
229.12238	3.7
229.31438	1.2
233.11783	1.0
235.08228	7.5
235.13412	10.9
237.14919	7.4
239.12827	11.1
243.17691	2.0
247.13338	18.8
248.13593	1.4
253.09204	12.3
253.14394	1.4
261.18579	5.8
265.14383	7.5
279.19702	1.4
287.16455	7.1
289.18091	14.1
290.18460	1.5
291.19662	1.1
293.64597	0.9
305.17569	29.0
306.18011	1.8
307.19284	2.1
309.20862	1.0
323.18591	2.1
427.23026	1.1
434.77045	1.0
457.20941	2.7
459.22473	4.9
471.22205	2.7
483.22311	3.0
501.23016	1.2
529.32196	1.2
541.26538	2.6
621.32623	2.0
624.42603	1.0
645.31268	1.5
660.64008	0.9
677.35468	1.5
689.35492	1.1
707.36395	5.9
747.39465	3.3
748.21887	1.2
748.39032	1.3
765.40649	15.2
766.40540	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	765.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	3.0
57.03329	3.2
59.01249	40.9
61.98700	23.2
67.01786	1.8
69.03327	3.3
69.28592	11.3
69.29004	4.8
71.01249	33.3
72.99185	5.4
73.02824	4.4
74.84915	1.7
75.00764	3.6
78.95773	2.7
80.02537	2.2
81.03342	3.2
83.01276	6.6
85.02833	5.7
87.00748	8.6
88.98674	16.6
89.02311	28.1
95.01263	3.4
95.04922	2.9
96.95912	3.2
97.02833	6.4
97.06477	5.6
99.00726	2.2
101.02316	27.7
105.51199	1.8
109.02765	1.7
113.02319	11.2
119.03387	8.8
123.04400	6.1
123.08038	2.3
125.02351	11.0
125.09591	10.5
137.09604	3.7
143.03386	3.8
161.04472	4.6
161.09654	2.1
163.11192	9.9
165.12787	4.1
171.10152	2.4
179.05513	5.7
181.12270	3.0
185.11769	9.4
191.14297	9.4
207.10179	3.7
209.11772	40.1
211.13356	7.1
225.11230	7.2
227.12868	5.8
235.08208	8.5
237.11369	3.0
245.19102	15.4
246.19337	2.1
253.09143	2.9
263.07690	1.6
263.20111	3.8
276.75995	1.7
289.18079	80.1
290.18414	5.9
290.48901	1.8
305.08960	2.1
307.19141	100.0
308.19446	8.6
358.31476	1.9
397.13507	56.1
398.13889	3.5
415.14606	47.8
416.14813	4.2
517.71368	2.1
607.26019	5.6
705.33606	9.7
706.33734	2.0
765.33044	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	764.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70609	0.1
59.01249	0.2
61.98700	100.0
62.98377	0.3
70.11087	0.4
70.11501	0.3
71.01250	0.2
72.99169	0.2
73.47017	0.1
75.00726	0.3
78.95773	0.4
81.45451	0.1
83.04927	0.1
88.98696	0.4
89.02302	0.2
101.02294	0.1
109.06508	0.1
111.08028	0.1
113.02267	0.1
113.88235	0.1
129.63928	0.1
164.96861	0.1
169.93198	0.1
171.10158	0.2
197.11827	0.2
209.11783	0.9
210.12189	0.4
211.13396	0.9
223.13470	0.4
224.13689	0.1
253.09332	0.2
289.18204	0.2
484.78522	0.2
528.40778	0.1
679.43903	0.1
764.43988	0.2
765.34784	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86662	1.4
63.02267	3.8
65.00195	4.5
78.19655	1.4
80.65699	1.3
83.01266	5.0
95.01271	4.6
96.11977	1.4
107.01266	9.2
109.02831	38.9
111.00753	2.8
121.02748	1.6
123.00774	1.8
124.01615	2.4
125.02348	5.4
135.00798	4.1
137.02333	2.2
139.00291	5.0
146.82292	1.4
149.02310	1.9
151.00279	40.1
152.01030	9.1
153.01836	14.3
156.01079	1.4
163.00264	36.0
163.01616	2.4
164.00888	2.6
166.99762	2.7
169.01343	4.1
175.03746	1.8
178.99770	39.1
180.00258	3.2
181.01447	3.0
183.04347	2.0
187.03987	2.5
190.99794	25.3
193.01260	2.1
199.04036	2.7
203.03448	1.5
206.99280	24.0
208.00069	8.8
211.03975	4.2
217.05074	1.8
227.03467	10.8
231.02988	4.6
243.03017	3.8
245.04543	4.8
255.02960	18.6
256.03421	2.6
258.01617	1.9
271.02499	20.3
272.03003	2.7
273.04013	5.5
283.02353	2.0
299.01990	16.5
300.02716	33.8
301.03461	26.3
315.01236	2.6
316.02032	3.6
317.02985	100.0
318.03287	7.9
351.25250	1.6
447.09253	51.6
448.09628	7.6
463.08878	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	765.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65446	0.2
59.01256	1.4
60.99174	18.4
61.98683	0.7
69.03330	0.3
69.86151	0.9
69.86557	0.6
71.01268	1.6
72.99174	0.3
74.65934	0.3
83.01291	0.3
87.00753	5.1
88.00275	5.5
88.01086	0.6
88.98676	100.0
89.02311	33.5
89.99030	1.0
90.02647	0.5
99.00715	0.3
101.02336	0.6
103.91911	1.6
104.92673	0.9
111.36406	0.3
113.02304	0.5
114.94745	0.7
122.89307	0.8
130.94263	0.5
148.90906	2.6
156.95842	0.4
172.95404	0.3
184.95256	0.5
209.11765	0.4
211.13324	1.3
221.11714	0.5
223.13390	0.8
235.08250	0.3
237.14983	0.3
239.12688	0.4
246.83762	0.3
277.21664	1.5
305.17529	0.4
397.13547	2.0
409.00919	0.4
415.14511	0.9
469.06210	0.7
483.04291	0.8
487.03448	0.4
501.05743	0.4
729.28394	1.4
729.40009	0.3
730.27539	0.6
765.25470	1.2
765.39087	0.5
766.26093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02264	4.4
64.13822	0.6
65.00192	10.8
69.24837	7.4
77.26382	0.7
83.01257	6.3
107.01266	21.3
109.02808	1.0
125.02348	1.5
151.00266	95.7
152.00685	2.2
153.01903	1.3
163.00301	1.3
169.01340	5.1
178.99770	100.0
180.00089	2.4
180.43820	0.7
187.03903	1.4
199.03906	1.6
206.99222	0.8
210.46544	0.8
215.03543	0.7
218.92509	0.7
231.02916	1.4
243.03030	1.4
255.03003	1.5
259.02493	2.4
271.02432	6.7
272.02988	0.8
287.01941	3.8
299.01944	3.3
300.02634	3.3
301.03485	2.6
315.01425	30.3
316.01938	2.0
317.03012	1.6
329.81393	0.7
445.07706	1.0
447.09479	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	763.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89656	0.1
59.01253	0.2
61.98697	0.3
69.59682	0.1
71.01233	0.2
78.95770	4.0
79.95607	2.9
87.00747	0.4
96.95887	100.0
96.96770	4.5
97.95807	0.3
98.19783	0.3
111.00637	0.2
111.46394	0.1
127.96178	0.1
168.04231	0.1
171.10162	0.4
183.13771	0.2
195.13820	0.2
197.11774	0.2
209.11827	0.7
211.13341	1.2
212.13692	0.2
223.13387	0.4
227.12854	0.2
277.21912	0.2
295.22733	0.3
296.23029	0.2
311.22656	0.2
312.22525	0.1
762.45618	0.3
763.46545	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29131	0.2
59.01245	0.5
60.99178	17.1
71.01257	0.5
71.13197	0.4
71.54339	0.2
72.99162	0.6
82.81505	0.2
83.04893	0.3
87.00757	2.0
87.43292	0.2
88.00269	2.1
88.98678	100.0
89.02316	5.8
89.99012	0.9
101.02319	0.2
125.02284	0.3
130.48795	0.2
155.62367	0.2
171.10173	1.3
187.49901	0.3
209.11786	5.2
209.13753	0.4
210.12070	0.3
211.13359	1.7
227.12828	0.9
253.09296	0.4
379.12338	0.3
397.13370	0.9
409.54977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45602	1.0
59.01250	5.5
61.98698	1.1
69.03321	2.1
71.01247	3.0
71.04868	1.0
72.99191	1.2
73.02796	1.3
78.95785	1.6
81.03351	1.3
83.04895	4.4
85.02813	1.3
87.00749	1.2
88.98668	2.6
89.02307	2.4
95.04868	1.2
101.02303	2.8
106.25743	0.9
161.04437	1.4
163.11139	2.1
165.12724	1.4
167.10715	2.5
170.86259	1.0
171.10095	2.4
179.10696	1.4
179.14331	2.3
195.13843	7.6
205.12274	7.6
209.11769	100.0
210.12181	5.1
211.13359	1.4
223.13344	80.7
224.13680	4.4
227.12834	16.5
228.13159	1.2
235.08179	2.6
253.09290	7.4
254.09735	1.1
261.14926	3.0
441.21188	1.7
445.20847	3.9
459.22263	10.1
460.22592	1.5
593.43243	1.2
633.33044	1.8
651.33594	3.6
761.33051	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	761.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	11.2
59.42460	9.8
61.98698	27.1
98.19827	28.2
119.97222	12.4
179.55913	10.6
185.11803	34.9
211.13292	47.1
223.97430	11.6
240.05574	12.1
277.21777	100.0
417.03369	11.1
433.82434	12.1
761.42120	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12159	19.4
64.82366	18.9
72.86491	21.6
73.21101	22.9
78.95784	60.3
82.01870	22.2
83.66884	29.7
100.99092	21.0
126.60802	21.4
185.11755	67.3
201.50398	20.8
211.13335	70.8
218.62657	22.0
277.21652	100.0
279.23428	47.3
382.18967	26.7
579.20325	23.1
666.88489	24.4
761.43292	51.7
781.41449	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4559
Annotation	Rolloamide A
Peak:m/z	Relative Intensity
53.07612	0.4
54.06018	0.4
56.35995	0.3
59.01242	1.1
61.98698	1.1
62.40126	0.4
69.05334	0.5
71.01236	0.5
78.94163	0.4
78.95777	16.3
79.95605	3.2
80.02534	1.6
81.03334	1.7
83.04892	6.3
84.02031	1.0
88.98647	1.3
89.02337	0.6
95.04910	0.7
96.95886	100.0
96.96768	4.3
113.09601	0.8
135.08020	0.6
152.99504	0.9
163.11192	4.9
165.12776	2.6
168.04231	4.0
170.15732	0.5
171.10210	0.8
181.12221	1.0
191.10657	0.9
195.13841	5.5
197.11774	0.4
209.11763	70.7
210.12102	3.4
211.13365	3.7
224.06828	2.4
227.12839	22.3
228.13176	0.7
259.15436	1.3
277.21741	5.1
295.22775	23.1
296.23181	2.4
311.22156	0.9
466.22211	0.5
472.58484	0.6
484.23029	0.4
502.28818	0.6
511.72415	0.5
520.30438	2.4
635.68744	0.5
637.57465	0.5
730.42810	5.8
731.42419	1.3
762.45581	34.9
763.12738	1.1
763.46210	6.6
785.72040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1571
Annotation	Quercetin 3-(2''-galoylrutinoside)
Peak:m/z	Relative Intensity
56.67133	1.0
57.02040	1.3
57.03313	1.5
61.27684	1.2
63.02270	1.3
65.00185	7.7
69.03335	1.5
69.54416	3.8
69.54832	4.4
71.01250	1.9
79.20552	1.1
83.01234	3.3
93.03290	1.3
95.01218	2.7
97.02798	1.4
107.01266	19.4
109.02830	2.3
111.00780	2.1
120.82851	1.1
121.02856	5.8
123.00771	7.6
123.04411	1.1
124.01550	2.0
125.01433	2.5
125.02333	42.4
126.02625	1.6
133.02768	1.6
137.02339	2.7
139.00264	2.3
141.01801	2.5
144.69197	1.2
149.02327	1.5
151.00259	51.9
151.03917	1.5
152.00635	1.4
153.01894	1.4
159.04404	1.2
161.02295	2.2
163.00264	2.2
165.01886	2.0
166.99771	2.2
168.00505	4.2
169.01328	54.1
170.01665	2.1
175.00273	3.6
175.03889	1.4
177.01848	5.5
178.99805	7.9
187.03957	1.3
193.01312	2.1
199.03830	2.6
203.03403	1.5
211.02409	5.1
227.03384	4.0
243.03008	6.4
244.03442	1.1
245.04433	1.5
255.02855	5.3
256.03635	2.5
257.04575	2.0
271.02414	34.6
272.02881	3.8
273.03952	1.4
284.03275	1.4
285.04047	7.2
299.01993	20.9
299.99387	2.1
300.02710	29.8
301.03510	54.3
302.03897	3.4
313.02338	1.5
313.05692	26.5
314.06134	1.8
343.04425	1.4
407.07556	1.5
421.07419	2.1
447.09161	4.7
465.06705	11.6
614.09454	2.3
615.09772	46.0
616.10046	5.4
761.15631	100.0
762.15833	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	761.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	46.6
61.98709	100.0
71.45912	21.0
78.95769	68.7
96.95906	17.5
107.81650	14.7
126.27490	11.7
146.77539	13.6
151.39488	11.6
163.90440	11.2
171.10234	22.0
197.11777	64.8
209.11798	87.4
210.12144	31.1
211.13315	42.2
214.37744	11.6
227.12854	23.6
233.11377	13.4
291.19595	17.8
293.21201	42.2
294.21356	29.5
309.20755	32.7
311.22214	19.6
433.20554	21.2
752.14795	14.9
761.42163	29.5
762.45300	22.6
794.52332	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	761.3881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78207	5.2
59.01233	9.8
61.98704	30.2
71.56819	4.7
74.35586	4.7
78.95765	27.6
83.04861	11.1
95.04904	5.9
129.16425	5.4
163.11169	8.2
171.10129	9.5
197.11749	12.4
198.11835	6.3
209.11755	100.0
210.12068	29.7
211.13361	12.3
227.12813	26.3
228.13217	6.9
233.11588	8.7
270.98425	5.9
286.53027	5.3
291.58179	6.2
291.96320	5.1
293.21201	34.0
294.21594	15.7
309.20621	11.6
317.22714	5.7
322.63959	6.5
508.90192	5.7
527.28424	6.1
529.36761	5.1
544.45258	6.0
579.04919	6.1
684.77319	5.8
760.44702	8.3
761.45386	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.3
69.99149	12.6
78.95766	55.3
91.48693	2.7
95.64081	2.8
96.96800	4.1
98.19892	3.6
106.16042	3.0
152.99474	58.4
171.00508	5.9
177.68022	2.9
195.13826	28.5
253.21638	30.2
255.23277	11.4
277.21649	18.7
293.21054	3.4
295.22772	74.7
296.23123	5.4
318.69528	3.7
431.22177	4.0
505.25476	3.5
516.46112	3.1
523.18896	4.8
523.26721	100.0
524.27136	8.4
759.48114	55.5
760.48468	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	761.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10437	3.6
57.03323	10.5
59.90570	4.0
66.51057	3.7
71.58235	4.5
83.01233	11.0
90.33301	3.6
95.01259	7.7
109.02814	19.4
111.00729	19.7
118.09393	3.4
123.00736	11.1
123.04418	4.4
125.02330	100.0
126.02679	5.4
133.02834	9.2
137.02338	20.3
138.50531	3.3
139.00246	16.1
141.01884	6.5
145.02867	7.6
147.04462	4.1
149.02319	10.4
150.03149	4.8
151.00281	6.4
151.03917	10.0
153.01854	16.1
154.99768	5.0
159.04355	5.8
161.02335	21.7
162.02965	4.7
163.00229	7.2
163.03915	8.5
164.00989	5.2
165.01810	16.0
167.03265	4.3
168.00542	4.2
169.01329	49.9
175.03883	12.4
177.01852	76.5
178.02283	5.7
182.99307	7.0
187.03870	7.5
188.23051	5.0
189.05507	6.5
191.03375	8.1
193.01350	7.6
199.03957	6.3
201.00276	4.8
203.03516	6.7
210.22194	4.7
215.03325	4.9
217.05008	12.6
219.03046	7.8
227.03497	9.6
229.04964	5.9
231.02888	5.3
241.05040	4.5
243.02887	16.7
245.04500	7.0
253.04955	6.1
255.02893	11.8
255.06496	4.4
256.03598	7.3
257.04379	5.2
259.02423	11.2
259.06125	6.6
260.97104	4.2
269.04538	7.7
271.02573	6.1
271.06094	5.1
285.03918	23.8
287.05466	8.0
289.07162	13.4
295.09579	5.5
301.03265	4.7
303.05035	11.0
347.81802	4.4
389.06815	4.7
407.07510	19.7
421.05634	15.4
422.05994	5.8
423.06921	12.1
439.06473	9.0
441.08377	7.6
507.80200	4.1
559.12164	5.0
615.09760	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	761.1567
Annotation	Quercetin 3-(2''-galoylrutinoside)
Peak:m/z	Relative Intensity
55.87042	0.7
59.01257	1.6
63.02259	1.8
65.00183	6.3
69.03355	0.9
71.01242	2.8
71.57550	0.9
77.16517	0.7
78.08529	0.7
83.01249	4.6
93.03342	1.4
95.01235	0.9
96.95897	2.8
97.09653	0.7
101.02312	0.9
107.01262	14.4
109.02834	1.4
111.00720	1.5
121.02820	10.1
123.00777	4.8
125.02324	30.6
139.03909	1.0
140.01004	1.0
141.01868	0.7
144.71046	0.7
148.01450	0.8
149.02318	1.2
151.00266	55.0
152.00641	1.4
161.02335	1.4
163.00226	1.5
163.03923	1.0
166.99783	1.0
168.00537	2.5
169.01326	46.8
170.01642	1.1
178.99765	26.3
185.05934	0.9
193.01270	1.3
206.58183	0.9
211.02333	1.5
223.02347	0.8
227.03445	1.6
229.04948	1.4
231.28938	0.8
241.03485	1.6
243.02934	2.6
245.04324	1.4
255.02962	8.2
256.03494	1.3
271.02444	15.1
272.02884	1.3
273.04004	3.2
283.02246	1.0
285.03680	1.0
299.01938	2.5
299.99423	1.6
300.02731	29.8
301.03494	100.0
301.71582	0.9
302.03827	6.5
313.05637	30.5
314.06055	1.4
447.09296	14.9
448.09756	1.1
459.11572	1.2
503.76843	0.8
615.09851	94.1
616.10181	14.1
675.57861	1.0
699.52094	0.9
761.15656	34.4
762.15930	6.6
775.97095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17715	2.0
56.91621	1.8
69.48940	11.1
69.49343	4.5
71.01247	2.8
81.03326	5.2
83.01264	4.8
93.03336	4.5
95.04897	2.9
97.02833	5.7
99.04400	3.5
101.83028	2.1
107.04888	1.9
109.02819	5.8
111.04402	2.6
113.02352	3.1
119.04898	15.1
121.02831	4.7
123.04414	11.8
125.02314	10.9
131.09819	2.0
135.04440	5.2
137.02339	8.5
137.05930	5.0
139.03902	6.5
147.04469	3.9
149.05978	2.8
151.03865	2.9
163.03911	2.7
164.04657	2.7
165.01880	3.7
165.05464	5.9
165.08665	2.1
166.02626	3.3
167.03381	17.6
179.03435	9.5
189.05508	3.6
197.04512	4.5
207.02966	3.5
209.04462	19.7
219.03053	3.8
220.03796	2.3
223.06281	2.2
229.08641	4.0
239.05556	7.0
435.12805	2.7
477.14020	11.6
489.13895	4.2
507.15179	4.9
519.15021	100.0
520.15137	9.6
527.00830	2.9
531.15601	3.0
549.16138	83.7
550.16522	8.0
561.15918	3.2
579.17017	19.4
580.17657	3.2
589.59918	2.7
591.17053	2.5
621.18304	13.8
639.19281	20.2
651.19794	5.3
669.20319	2.6
759.23627	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	759.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01256	14.8
78.95772	38.7
80.54512	12.3
80.96399	13.3
85.78931	12.6
87.45993	12.7
92.37561	10.9
96.09544	10.4
120.70281	11.9
123.04676	13.7
138.24440	12.0
146.78439	10.5
151.40157	11.2
152.99422	25.5
158.09074	12.6
165.85593	11.9
171.10136	16.6
185.11790	11.7
199.13322	13.5
209.11752	64.8
220.83275	11.2
227.12860	79.0
235.08160	13.1
253.09161	13.9
253.21701	41.1
277.21725	100.0
279.23425	12.6
463.21747	33.9
723.43091	22.8
759.41754	21.3
791.77032	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	759.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81594	1.3
59.01253	8.8
61.98701	9.5
69.03332	1.5
71.01243	3.7
71.28439	1.9
72.99165	2.3
78.95753	2.2
82.95280	6.0
83.02408	1.8
83.04908	1.3
84.00782	1.6
84.94992	18.1
89.02321	2.4
97.02795	1.3
101.02313	3.1
108.61758	1.0
111.07979	1.7
113.02362	1.5
116.92762	1.8
116.97121	1.1
142.36246	1.1
161.04411	2.4
163.11115	1.3
165.12660	1.7
169.12175	1.2
171.10176	100.0
172.10510	4.2
185.11708	1.8
197.11763	14.0
209.11769	12.9
210.11992	5.5
211.13446	12.3
212.13634	2.8
223.13373	3.8
224.13617	1.2
227.12859	4.0
235.08192	6.4
253.09164	11.9
263.20148	1.7
263.66599	1.2
273.18674	1.5
291.19635	16.2
292.19949	1.8
293.20993	2.0
309.20688	30.7
310.21066	3.6
311.22159	6.2
312.22620	5.3
313.22818	2.8
327.21487	1.3
407.18909	1.7
545.29724	2.5
712.08997	1.6
759.41815	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.0
59.01251	10.9
60.56515	1.1
61.98690	2.0
62.16374	1.2
66.42358	1.1
67.85876	1.0
71.01250	100.0
72.01579	1.3
78.95768	16.2
85.02848	1.4
87.00742	1.0
89.02322	3.3
96.96841	1.3
98.20649	2.3
101.02332	3.8
109.06464	1.6
113.02333	2.1
125.02383	1.6
125.09640	2.1
127.11208	1.5
136.52539	1.1
145.04944	1.6
152.99449	9.1
160.20009	1.2
161.04462	2.3
163.11220	1.7
171.10173	50.3
172.10478	2.4
181.08669	1.2
181.12306	2.4
183.13852	1.3
197.11804	3.0
199.09618	6.1
199.13338	2.6
199.38344	1.1
201.11230	6.3
203.97029	1.1
207.10167	9.2
208.10577	1.4
211.13319	2.7
225.11206	7.2
229.58725	1.3
235.08180	4.1
253.09317	8.3
255.22963	1.3
277.21713	96.7
278.08725	1.2
278.22028	11.3
291.19623	2.9
293.21201	2.1
300.10211	1.4
311.22171	2.2
385.55646	1.3
445.19858	2.4
447.21533	3.6
541.82153	1.2
623.36230	1.3
721.41675	3.6
749.33600	1.2
757.43060	14.2
758.43976	4.9
781.43176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49796	1.5
59.01249	12.4
61.98703	2.4
67.70678	1.5
71.01250	96.7
71.56165	1.7
72.01550	1.7
73.02811	2.6
78.95781	16.0
83.01240	1.6
85.02829	2.0
87.00745	2.3
89.02310	2.8
96.96842	1.7
97.02811	1.9
99.00732	2.4
101.02332	4.8
109.06475	10.4
113.02322	3.7
125.05965	1.6
125.09625	1.9
127.11166	3.0
137.09749	1.8
152.99481	6.5
161.04491	2.0
163.11206	4.5
165.86371	1.6
171.10175	100.0
172.10553	4.9
179.05464	1.8
181.12227	2.7
197.11780	2.9
199.09674	20.5
199.13412	2.3
201.11234	22.9
207.10210	26.6
209.11899	3.2
225.11241	21.1
235.08182	3.4
243.12321	2.2
253.09204	13.3
277.21725	81.2
278.22110	7.1
335.30551	1.7
435.18567	2.7
447.21518	3.4
461.20190	8.6
721.41705	4.6
739.42719	6.1
757.43170	28.3
758.43823	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	757.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	9.5
61.98708	2.0
64.35752	1.1
71.01250	68.8
71.56349	1.4
71.56751	1.4
73.02795	1.8
78.95777	14.2
81.43426	1.1
85.02819	3.1
87.00733	1.6
89.02299	1.2
89.20557	1.0
89.23278	1.1
93.62339	1.4
96.96844	1.8
101.02300	5.0
109.06452	2.6
113.02311	2.3
125.09596	2.3
125.36195	1.1
127.11151	2.9
137.09680	1.4
152.99467	5.8
163.11201	2.8
171.10179	38.5
172.10466	2.4
181.12320	2.3
197.11778	3.1
199.09711	7.3
199.13252	1.7
201.11263	6.2
207.10201	11.5
209.11803	1.3
211.13304	2.5
225.11281	6.6
235.08098	4.7
253.09184	7.0
277.21698	100.0
278.22079	9.9
279.23236	3.3
309.20697	1.8
311.22162	1.3
416.55893	1.5
447.21460	2.3
721.41766	2.5
739.42584	3.2
757.43494	14.0
758.44080	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	757.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00185	1.2
55.01752	1.1
59.01247	8.1
61.98699	1.2
71.01253	100.0
71.65901	0.9
72.01574	1.0
73.02812	1.7
78.95776	8.7
85.02802	1.3
87.00739	1.3
89.02309	1.3
97.41962	0.9
99.00744	1.1
101.02309	4.2
109.06471	4.2
112.98541	0.9
113.02345	1.6
114.93286	2.6
115.00246	2.8
125.09613	2.7
127.11150	2.4
152.99501	5.4
161.04475	1.2
163.11211	2.0
164.18909	0.9
165.05482	0.9
168.84100	0.8
171.10184	68.2
172.10495	3.8
181.12277	2.0
185.11815	1.5
197.11761	1.7
199.09697	8.8
199.13338	2.0
201.11275	11.1
207.10164	11.2
209.11705	1.3
211.13400	1.4
215.12801	1.5
225.11246	8.8
235.08195	3.6
243.12430	1.2
253.09212	8.4
277.21719	80.9
278.22043	7.0
293.21201	2.1
304.67542	0.9
311.22223	1.7
335.00742	1.0
387.53952	0.9
399.73792	1.0
445.19849	1.9
447.21762	2.0
461.20062	1.5
721.41821	2.3
722.42639	1.2
757.43390	11.2
758.43909	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	757.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48460	8.0
59.01233	9.9
61.98701	15.8
70.22107	10.3
70.22438	36.3
71.01262	10.6
73.96696	9.9
78.95771	100.0
79.88934	9.8
79.95558	8.5
109.06480	14.8
113.02251	10.6
142.17694	9.3
152.99490	47.0
207.10208	67.0
209.11726	16.3
225.11218	26.5
235.08157	9.8
239.60280	8.5
253.09259	14.1
255.23212	15.2
277.21722	70.0
279.23328	12.5
281.24738	10.9
293.21265	11.1
311.22266	15.6
447.21198	13.6
454.66995	9.9
493.54596	9.4
721.41882	41.1
757.42297	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.3
59.01251	17.2
61.98677	0.8
71.01254	6.0
71.14388	1.8
73.02843	0.8
78.95773	4.8
80.02538	0.7
81.03305	1.0
83.01309	1.1
85.02841	1.9
87.00738	0.9
87.97964	0.8
89.02309	2.1
95.04933	0.9
96.95889	1.2
97.02798	1.0
97.06467	2.7
101.02324	3.4
113.02316	2.4
125.09618	2.1
127.11166	1.5
135.08015	1.0
143.03506	0.8
152.99471	2.9
161.04488	1.5
163.11185	2.9
165.12733	1.0
171.10175	100.0
172.10570	3.9
173.98262	1.0
181.12329	1.1
183.13834	2.3
185.11732	4.2
191.14400	2.6
197.11772	1.7
198.12129	0.8
199.13324	2.0
200.13623	1.3
201.11197	1.4
207.10228	2.5
209.11771	12.0
210.12120	3.1
211.13387	9.8
212.13516	1.0
223.13426	0.8
225.11267	2.5
227.12804	4.3
228.13242	0.9
235.08185	3.2
237.11247	1.3
243.15491	0.7
245.19032	5.3
253.09297	11.7
254.09641	1.5
263.20172	2.4
271.16937	1.1
289.18076	30.7
290.18460	2.5
291.19513	3.9
292.20013	1.6
293.21204	5.8
294.21539	2.4
295.22159	1.4
307.19159	24.6
308.19446	2.8
309.20560	2.8
310.20877	1.1
311.21884	1.8
327.21780	3.1
327.73038	0.9
407.19046	1.8
446.96048	0.7
525.27130	0.9
543.28259	1.1
757.43256	6.1
758.43921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48286	0.9
59.01248	9.7
68.69766	0.8
71.01250	100.0
71.57610	1.0
73.02829	1.5
78.95772	15.3
83.01237	1.3
85.02816	2.1
87.00755	1.0
89.02317	3.3
96.96826	1.2
97.02792	1.3
99.00771	1.2
101.02322	4.5
109.06471	3.8
111.04321	1.3
113.02298	1.5
119.03349	1.7
122.42049	1.0
125.09592	2.4
127.11137	3.3
135.22931	0.9
152.99493	7.7
161.04474	2.2
163.11131	3.7
171.10175	92.4
172.10521	4.3
172.63013	1.0
181.12248	2.0
193.50888	1.1
197.11746	3.1
199.09660	9.9
199.13300	2.2
201.11259	14.4
207.10179	16.5
209.11763	2.8
211.13324	2.6
212.13571	1.1
215.12732	1.8
225.11224	11.0
235.08212	2.0
243.12378	1.5
245.11562	1.6
253.09294	10.8
277.08896	1.1
277.21710	62.3
278.22141	7.0
293.21124	2.0
309.20599	1.4
311.22256	3.7
435.18585	1.7
445.19904	2.7
447.21576	2.7
461.20007	3.4
596.84467	1.1
721.41785	2.6
739.42401	2.0
746.67578	1.0
757.43298	17.3
758.43445	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	757.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15565	0.3
55.01741	0.4
57.03319	1.5
58.00486	0.4
59.01247	5.7
61.98715	0.5
69.03326	1.2
71.01246	5.0
71.34505	0.8
73.02802	1.6
78.95752	0.5
81.03343	0.3
82.95293	0.7
83.01264	0.7
83.04898	1.0
84.94988	0.6
85.02821	6.1
87.00764	1.9
88.98610	0.3
89.02303	3.2
95.01273	0.7
95.04865	0.6
96.95889	7.4
97.02840	1.5
97.06459	2.1
99.00782	0.4
101.02322	4.7
102.43137	0.3
105.07986	0.3
109.06438	0.4
111.08045	0.4
113.02315	3.1
113.09698	0.3
114.93279	0.6
119.03381	1.5
119.08537	0.5
123.08015	0.4
125.02348	1.1
125.09599	0.6
127.11170	0.9
133.04971	0.6
137.09636	1.8
143.03387	0.7
145.04961	1.0
155.10706	0.8
161.04424	2.4
163.11169	0.7
165.12741	0.8
167.14340	0.9
171.10173	17.5
172.10529	1.0
172.55823	0.3
179.05583	0.7
181.12292	0.4
182.63319	0.3
183.13834	7.6
184.14145	0.4
185.11722	1.9
193.12224	2.5
197.11749	1.8
198.12163	0.3
199.13464	0.4
201.11287	0.9
209.11761	8.6
210.12141	3.5
211.13338	100.0
212.13683	7.7
213.13939	0.5
221.11713	1.1
223.13274	0.5
227.12822	2.8
228.13156	1.0
229.14421	5.4
235.08177	11.8
239.12802	0.7
253.09251	18.5
254.09525	1.2
289.18118	0.5
291.19644	4.9
292.20023	2.0
293.20721	0.9
309.20712	10.0
310.21027	2.1
311.21912	1.2
327.21753	54.8
328.22141	5.8
341.23285	0.7
394.85468	0.3
404.43134	0.3
447.22287	6.3
448.22638	0.8
470.80414	0.4
521.34851	2.0
522.34827	0.6
545.29803	1.9
563.30615	3.3
757.42310	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	1.7
59.01246	6.4
61.98705	2.6
69.14700	1.8
71.01250	22.7
73.02821	1.7
78.95775	3.3
81.03295	2.5
82.95280	5.1
83.01241	1.8
83.02381	2.2
83.04897	5.1
87.00742	3.2
88.98678	2.0
89.02307	3.9
95.04890	2.1
96.95883	14.0
96.96815	1.7
97.02840	3.8
98.95463	4.3
99.00756	8.5
101.02328	5.0
109.06471	7.9
110.32249	1.5
111.75323	1.5
113.02354	2.9
117.03381	1.4
120.71063	1.6
125.02299	3.5
125.09627	2.4
163.11180	9.3
165.12729	3.1
169.01378	2.6
171.10194	7.4
180.48946	1.6
181.12268	8.4
197.11760	2.6
199.13376	8.4
201.11282	3.1
207.10178	29.8
207.11928	2.7
208.10590	2.6
209.11765	100.0
210.12059	5.5
211.13344	2.7
225.11269	49.0
226.11598	2.7
227.12836	20.6
229.34105	2.3
235.08176	2.7
243.12338	12.0
253.09244	11.2
417.22830	2.7
443.03516	1.6
443.19244	1.6
460.96323	1.6
461.20264	12.0
479.21356	10.4
631.55676	1.6
635.30658	5.1
653.30542	4.7
671.32922	9.3
672.33276	2.2
689.34064	16.2
699.10181	1.8
721.36646	7.5
757.33905	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	757.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	11.3
61.98687	6.8
62.11982	1.6
71.01254	7.0
71.10944	1.9
78.95763	3.5
79.95618	3.2
82.95305	2.5
83.04916	3.7
83.37270	1.8
85.02847	5.2
87.00758	2.1
89.02330	3.4
92.57709	2.0
96.95889	100.0
96.96871	4.6
97.95841	2.7
98.19736	4.0
98.95465	38.2
98.96277	5.8
99.00751	6.3
101.02323	5.2
113.02346	2.3
119.03396	1.8
125.02365	2.8
128.78362	1.8
157.46201	1.8
163.11183	2.7
167.10585	2.1
169.01407	1.7
169.12277	4.0
171.10208	9.1
172.13312	2.0
183.13850	7.5
185.11786	3.0
197.11827	8.5
209.11757	39.2
210.12093	12.5
211.13365	81.8
212.13680	4.5
213.11159	3.0
225.11159	2.4
227.12892	8.6
229.14374	3.3
235.08171	6.4
253.09262	17.5
291.19580	5.8
292.19781	2.5
307.19083	2.0
309.20718	10.9
310.20953	6.2
327.21716	34.1
341.23386	2.3
390.55359	1.7
401.24811	1.7
438.51514	2.0
447.22266	6.9
521.34576	2.6
639.34033	3.2
757.39105	17.8
758.39728	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	757.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98720	9.3
63.24026	7.2
70.13557	36.4
74.30802	7.4
76.00648	7.8
78.53678	7.2
78.95764	100.0
78.96152	9.8
81.90446	7.8
90.54919	6.9
101.74181	6.6
152.99438	47.8
157.31480	8.9
165.63647	8.5
207.10226	11.4
209.11606	15.1
225.11282	34.5
277.21606	23.8
291.19583	13.0
293.21149	17.2
309.20419	9.0
311.22385	14.3
445.20010	13.3
447.21399	12.0
461.20294	12.3
548.02606	8.7
573.43494	8.7
711.89740	8.7
739.42334	9.9
757.40735	38.2
775.81232	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	757.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32979	4.0
67.43654	4.7
71.01235	8.1
73.02300	3.8
78.95776	100.0
84.44118	3.8
92.94410	4.1
96.96848	7.8
98.20551	10.0
104.37640	4.2
120.72712	4.0
140.07375	4.5
151.20917	4.2
152.99484	47.4
171.10158	6.2
192.03903	5.3
207.10081	4.5
209.11729	10.5
211.13307	12.1
225.11261	11.8
261.47513	4.5
267.66727	5.4
277.21658	22.8
279.22986	4.5
291.19757	9.4
293.21176	12.2
309.20609	6.8
311.22278	7.8
445.19922	10.2
447.21649	16.5
463.20947	8.4
477.71054	4.9
721.41968	8.3
739.42249	5.9
757.42834	37.1
758.42493	7.1
776.83685	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	755.4589
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	8.8
71.01250	3.5
72.37897	1.2
77.38134	1.0
78.95771	3.4
85.02844	1.4
87.00739	5.2
89.02310	1.7
101.02340	2.1
113.02309	2.3
127.11195	2.1
150.29985	1.1
152.99455	2.1
162.20316	1.1
162.85106	1.0
171.10229	1.2
181.12292	2.4
188.96912	1.1
197.11728	1.6
199.13319	100.0
200.13664	4.9
201.11082	1.3
203.64476	1.1
209.11702	3.9
235.08153	3.6
239.99388	1.4
253.09233	14.7
255.23373	2.2
265.62759	1.2
277.21701	76.9
278.22067	6.3
309.20694	1.5
435.22296	3.7
459.34882	3.2
506.40253	1.2
737.41229	2.5
755.41833	2.0
775.76184	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.7
59.01244	9.7
61.98697	5.9
70.05170	1.9
71.01249	20.5
71.15453	3.5
81.03326	3.4
83.02397	2.4
83.04900	5.0
85.02798	3.1
85.47245	1.7
89.02316	5.7
96.95866	12.7
97.02835	3.3
97.08774	2.0
97.85710	1.8
99.00741	8.5
101.02320	6.5
106.40027	2.2
109.06470	8.3
113.02364	2.3
119.03458	2.1
125.02341	3.6
125.09636	4.5
142.02467	1.9
151.03946	2.0
155.04196	1.8
161.09706	2.4
163.11200	11.6
165.12816	1.9
169.01285	2.9
171.10162	13.4
171.94545	1.6
181.12262	10.3
182.12656	2.0
185.11681	3.4
197.11754	2.3
199.13341	5.2
201.11208	3.2
207.10226	27.6
207.29698	1.8
209.11763	100.0
210.12082	12.8
211.13553	10.0
219.15103	2.2
225.11267	48.8
225.13544	2.3
226.11490	2.1
227.12798	21.0
228.13188	1.8
235.08119	5.4
243.12289	12.8
253.09232	16.1
255.06712	1.9
301.59589	2.0
327.21777	8.9
328.22104	6.6
445.20612	2.9
461.20255	9.8
479.21381	7.6
511.23224	2.6
512.46692	1.8
605.87878	1.9
635.31000	4.7
635.88568	2.1
653.31378	7.3
671.33331	8.6
672.33575	3.1
689.33954	19.5
690.34235	3.6
721.36163	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	755.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.6
58.00459	0.5
59.01247	4.5
62.50529	0.3
69.03309	0.6
71.01247	4.0
72.99181	0.4
73.02820	0.9
77.17795	0.3
80.02546	1.2
81.03335	1.2
83.01260	0.6
83.04881	4.1
84.02008	0.7
85.02832	0.9
87.00739	0.7
89.02307	2.3
91.03924	0.4
91.97837	0.3
93.03329	0.5
95.04887	0.8
97.02834	1.0
97.06467	0.5
99.04361	0.3
101.02325	3.4
109.06408	0.7
111.08029	5.7
113.02306	1.8
119.03330	0.5
125.02377	0.3
125.05940	0.5
125.09604	0.6
127.07494	0.7
135.08038	0.5
151.11130	0.8
153.09123	0.7
153.12773	0.7
156.62367	0.3
161.04463	1.1
163.11189	3.9
165.12764	2.6
169.12297	2.1
171.10182	1.6
177.12794	0.3
179.05527	0.5
181.12213	1.5
183.13814	0.7
185.11708	0.4
191.10640	1.1
193.12326	0.5
197.11757	27.6
198.12067	1.2
199.13316	2.1
209.11761	100.0
210.12103	4.3
211.13324	6.8
225.11252	0.5
227.12843	12.3
227.15117	0.6
228.13217	0.9
235.08206	3.0
236.34380	0.3
247.20555	0.6
253.09262	15.2
254.09528	0.7
263.20178	1.7
265.18079	0.6
273.18518	1.0
291.19638	15.4
292.19977	1.2
293.21313	0.3
307.19135	1.2
309.20691	45.3
310.21072	3.1
325.20123	0.7
389.60355	0.3
445.20660	0.8
501.32086	0.6
521.86102	0.3
545.29688	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.9
57.03309	1.5
57.08834	0.7
58.00461	0.8
59.01245	9.1
66.87922	0.7
69.03329	1.5
70.75135	0.7
71.01252	8.8
71.20779	1.6
71.52930	0.7
71.77814	0.7
73.02822	1.8
80.02556	0.7
81.03364	0.9
83.01260	1.5
83.04900	2.2
85.02817	2.2
87.00740	1.5
89.02322	5.0
95.01244	0.9
95.04922	1.1
97.02837	2.5
97.06449	1.5
97.76691	0.9
99.00747	1.4
101.02313	6.9
102.02560	0.8
109.06481	1.8
111.08051	8.1
113.02346	3.5
119.03387	0.8
135.08064	1.2
145.04936	1.1
151.11172	0.9
153.12758	1.5
161.04474	2.7
163.09702	0.6
163.11185	2.9
165.12766	12.4
168.84869	0.7
169.12207	4.2
171.10170	6.1
181.12236	1.8
183.13826	100.0
184.14153	4.4
185.11787	2.0
191.10637	1.1
197.11761	32.9
198.12097	1.8
199.13353	5.3
201.11269	1.0
207.10172	1.4
209.11758	23.7
210.12114	6.6
211.13380	9.2
213.16280	0.8
221.44521	0.9
223.13409	0.9
225.11288	3.1
227.12810	15.0
228.13226	1.2
235.08157	5.8
245.19041	1.0
247.20627	0.8
253.09235	13.5
254.09642	1.5
263.20081	2.0
265.18185	0.8
289.18033	2.8
290.18427	1.6
291.19620	13.5
292.19949	1.1
293.21170	6.2
307.19049	2.5
308.19382	1.9
309.20654	26.4
310.21136	1.9
327.21750	1.5
337.50485	0.9
445.20636	2.7
463.21841	6.3
545.29645	1.7
737.41217	1.4
755.42181	82.0
756.42450	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	755.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16659	0.7
59.01245	3.2
60.02480	0.7
70.59296	1.8
71.01254	4.8
75.00734	0.8
78.95361	0.6
78.95785	2.8
80.02548	0.9
81.03347	0.7
83.04900	4.5
85.02818	1.2
89.02302	1.9
91.64766	0.7
95.04960	0.8
101.02326	2.2
107.24916	0.8
109.06479	0.9
112.26001	0.7
113.02322	2.1
119.03396	1.2
129.51959	0.7
137.56520	0.7
147.96616	0.8
152.99451	0.9
161.04439	1.2
163.11182	2.5
165.12732	1.0
209.11765	100.0
210.12131	6.4
211.13269	1.0
227.12839	9.4
228.13275	1.3
235.08165	1.3
241.65262	0.8
253.09293	7.5
277.21710	56.4
278.22018	3.1
293.21130	1.4
309.20642	1.4
361.32599	0.9
382.59467	0.9
445.20673	1.6
513.30554	0.9
547.39319	0.7
737.40723	2.2
755.42542	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.5
58.40632	0.3
59.01242	4.2
61.22113	0.3
67.61093	0.3
69.03339	0.5
70.88402	0.7
70.88747	0.3
71.01248	3.5
73.02819	0.9
80.02554	1.4
81.03322	1.5
83.01255	0.5
83.04897	5.0
84.02039	0.8
85.02802	0.8
87.00739	0.7
89.02322	2.0
95.01277	0.3
95.04892	0.7
97.02834	2.0
97.06430	0.6
99.00819	0.3
101.02306	3.1
101.92110	0.2
109.06465	0.7
110.52934	0.3
111.08029	4.8
113.02334	2.1
119.03384	0.6
123.08075	0.4
125.05961	0.5
125.09592	0.6
127.07556	0.3
130.29630	0.3
135.08080	0.8
135.11743	0.3
137.09621	0.5
138.10324	0.3
143.03349	0.4
147.11728	0.3
149.97533	0.3
151.11188	0.4
153.12749	0.7
161.04419	1.5
163.11185	4.4
163.43127	0.4
164.11584	0.3
165.12766	3.6
169.12247	2.3
171.10175	2.9
179.05608	0.4
179.10628	0.3
181.12265	1.6
183.13831	0.8
185.11832	0.3
191.10643	1.1
193.12234	0.4
197.11757	24.0
198.12108	0.9
199.13348	1.9
201.11264	0.3
207.10159	0.4
209.11760	100.0
210.12106	4.9
211.13327	5.8
212.13672	0.4
223.13377	0.4
225.11252	0.8
227.12828	14.8
228.13159	0.7
235.08153	2.7
247.20642	0.8
253.09258	13.6
263.20184	0.8
265.17932	0.6
273.18607	0.8
275.20068	0.4
291.19653	19.1
292.19968	1.5
293.21149	1.6
307.19266	0.8
309.20688	43.1
310.21085	3.2
314.61938	0.3
325.20117	0.6
445.20648	0.9
481.56442	0.3
501.32037	0.4
545.29633	0.9
552.68921	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.3
59.01243	6.2
63.92644	0.3
68.39577	0.3
69.03337	0.5
70.33651	1.1
71.01252	4.0
71.01624	0.7
71.04900	0.4
72.99183	0.4
73.02817	0.7
80.02541	1.3
81.03333	1.0
83.01265	1.1
83.04893	4.3
84.02050	0.9
85.02823	0.8
87.00760	0.9
88.47189	0.4
89.02305	3.1
95.01306	0.4
95.04905	0.8
97.06490	0.8
101.02313	3.8
109.06490	1.2
111.08040	3.4
112.08354	0.4
113.02325	1.4
115.23821	0.4
119.03400	1.0
125.05953	0.6
127.07492	0.7
135.08064	0.4
143.03348	0.6
151.11166	0.5
153.12769	0.7
161.04436	1.7
163.11201	4.5
164.11525	0.6
165.12753	3.0
169.12221	2.0
171.10194	3.0
179.05524	0.7
181.12230	2.1
183.13783	1.3
184.45493	0.4
191.10696	1.0
193.12326	0.5
195.13905	0.8
197.11760	21.0
198.12120	1.0
199.13316	2.4
201.11238	0.8
207.10181	0.8
209.11761	100.0
210.12094	5.5
211.13316	7.6
221.15396	0.7
225.11288	1.5
227.12828	14.5
228.13158	1.3
235.08180	4.0
247.20631	1.0
253.09248	15.0
254.09634	0.9
263.20142	1.1
273.18549	0.9
284.64020	0.4
285.31409	0.3
289.18240	0.4
291.19650	13.9
292.19925	1.7
293.21161	2.8
307.19156	0.8
309.20691	45.7
310.21030	4.2
320.09222	0.4
325.20200	1.3
358.42517	0.4
445.20764	1.1
463.21863	0.5
527.28516	0.5
545.29620	1.4
666.91748	0.4
737.41064	1.0
755.41663	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88900	0.6
57.03314	0.6
59.01249	17.7
60.32177	0.5
61.98706	0.7
69.03290	1.0
71.01243	5.7
71.19619	1.3
72.99181	1.8
75.00735	3.9
78.95776	0.7
85.02814	5.0
87.00726	2.0
89.02328	1.6
95.01297	0.6
99.00745	2.2
101.02311	3.0
113.02332	6.3
117.01756	1.2
119.03297	0.6
141.09180	0.7
152.99593	0.7
153.12720	0.8
161.04430	1.2
166.15988	0.6
169.12216	3.2
175.02385	1.1
183.13812	1.7
197.11752	76.0
198.12057	4.0
207.10332	0.8
211.13319	12.1
212.13554	0.7
235.08127	4.6
253.09213	8.1
255.23251	0.9
267.52393	0.6
277.21692	100.0
278.22055	10.2
278.25024	1.0
336.73514	0.6
415.19574	0.8
426.40665	0.6
433.20728	1.6
486.23407	0.8
513.30939	1.0
534.24652	0.8
721.41595	10.4
722.41913	2.2
753.43970	11.1
754.44019	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	753.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48024	0.7
59.01232	2.6
61.10814	0.9
61.98696	1.2
71.58047	1.1
71.58418	1.0
72.85590	0.9
72.99177	5.7
75.00742	100.0
76.00269	1.1
81.03325	2.9
83.04898	8.6
84.14024	0.7
89.85933	0.8
98.02351	1.1
101.72409	0.8
118.67614	0.8
122.28155	0.9
136.81110	0.8
145.02910	1.2
169.01228	0.9
224.17564	1.7
225.16016	2.8
281.08044	0.8
287.51785	1.0
300.02548	1.3
447.09451	1.8
450.34476	1.4
487.01590	1.2
675.47778	3.3
677.49323	4.3
678.50574	1.7
693.49097	39.9
694.49493	5.7
753.48926	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	755.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.3
66.11234	2.7
69.07849	2.7
71.56966	3.2
72.99174	16.5
86.22671	2.7
87.00734	4.2
93.66208	2.4
96.95888	7.3
103.00249	5.2
118.87885	2.4
125.02335	3.2
161.98363	2.5
162.03123	4.1
163.03926	4.5
169.01344	3.6
172.05228	6.0
174.03151	2.6
179.03412	4.9
191.03358	3.6
201.09158	13.2
201.10887	3.3
201.94597	2.5
205.08623	3.2
208.82430	3.3
208.84564	2.6
215.10838	2.5
217.08617	4.4
218.09474	2.4
219.10246	7.1
229.08649	10.6
231.10231	4.8
249.11183	2.9
259.09747	4.7
277.10715	4.8
367.10318	100.0
368.10699	6.6
403.19736	5.3
447.09146	2.8
603.15161	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	755.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
67.87312	30.3
71.04939	75.7
78.95773	57.0
79.87296	33.0
118.34498	29.5
122.32848	34.6
221.13229	31.2
223.13322	100.0
235.22945	35.6
277.21747	92.9
279.18213	34.0
395.21960	35.2
430.08322	44.6
481.85767	39.2
755.43475	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.422
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.9
58.00465	0.6
59.00984	0.5
59.01250	5.1
61.98686	0.5
69.03323	0.7
71.01248	3.7
71.04874	0.4
71.13626	0.6
72.99183	0.5
73.02806	1.0
78.95774	0.3
80.02538	1.1
81.03336	1.0
83.01270	0.6
83.04894	4.0
84.02027	0.8
85.02814	0.8
87.00746	0.9
89.02300	2.9
95.04922	0.4
96.95880	0.4
97.02834	1.3
97.06494	0.6
99.00751	0.4
101.02316	3.3
109.06472	0.8
111.08045	2.1
113.02325	1.7
119.03429	0.8
123.08044	0.5
125.06001	0.5
125.09605	0.3
127.07546	0.4
127.11160	0.4
130.82257	0.3
135.08076	0.7
137.09619	0.7
151.11160	0.4
153.12747	0.4
161.04453	1.5
163.11200	4.6
165.12743	3.9
169.12239	1.0
171.10181	6.5
173.81190	0.3
177.64214	0.3
179.05545	0.5
179.14346	0.7
181.12297	2.0
183.13802	1.0
185.11761	0.9
191.10695	1.0
193.12204	0.4
193.15909	0.5
195.13861	0.9
197.09941	0.6
197.11763	9.2
198.12054	0.6
199.13370	2.8
201.11250	0.8
207.10204	1.1
209.11761	100.0
210.10258	0.6
210.12108	5.2
211.13324	5.8
212.13687	0.4
221.11713	0.3
223.13301	1.0
225.11298	1.6
225.14581	0.3
227.12830	18.0
228.13199	1.3
235.08208	2.9
247.20599	1.9
251.16435	0.4
253.09245	12.9
254.09676	0.5
263.20120	0.7
273.18588	0.9
275.20227	0.5
282.70477	0.3
291.19662	22.9
292.19995	1.5
293.21161	2.9
307.19092	0.8
309.20700	39.6
310.21036	3.3
311.20123	0.7
320.97964	0.3
325.20169	0.8
329.21210	1.2
347.22211	1.0
445.20715	1.1
463.21826	1.0
501.32553	0.4
527.29150	0.4
545.29730	0.8
597.28253	0.4
737.41394	0.7
755.41650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51231	0.3
55.01758	0.5
57.03310	1.1
59.01253	5.8
61.98693	1.0
69.03324	0.7
71.01250	4.9
71.04881	0.4
72.85538	0.3
72.99183	0.4
73.02824	0.6
80.02545	1.3
81.03321	2.2
83.01263	1.8
83.04893	4.7
84.02028	0.9
85.02812	1.6
87.00755	1.5
89.02336	2.6
93.03327	0.4
95.01250	0.7
95.04895	1.0
97.02824	1.9
97.06458	2.6
99.00777	0.5
101.02319	4.1
106.04159	0.4
107.04865	0.5
109.06474	3.7
110.03609	0.5
111.08038	1.1
113.02330	2.5
118.55684	0.3
119.03431	0.4
121.06460	0.6
123.04400	1.4
123.08039	0.6
125.02347	0.4
125.05952	0.7
125.09604	3.7
131.03461	0.3
135.08026	2.1
137.09636	1.8
142.02602	0.3
143.03389	0.4
145.04955	0.6
149.05928	0.3
151.11209	0.4
160.83846	0.3
161.04475	1.4
161.09563	1.0
163.11189	9.2
163.12485	0.6
164.11519	0.5
165.12779	3.5
169.12173	1.8
169.98843	0.3
171.10185	2.1
177.12773	0.5
179.05380	0.4
179.10699	0.9
181.12277	1.9
185.11766	3.5
186.07278	0.3
189.12848	0.3
191.10640	1.4
191.14310	3.4
193.12215	0.5
195.13899	0.4
197.11769	5.0
199.13266	0.7
202.41252	0.3
207.10179	9.3
208.10654	0.6
209.11763	100.0
210.12086	5.3
211.13312	3.7
217.15828	0.6
223.13324	0.3
223.20119	0.3
225.11256	5.8
226.11664	0.5
227.12836	12.6
228.13133	0.9
235.08228	3.3
237.11263	1.6
243.17522	0.6
245.19083	7.0
246.19409	0.7
247.13391	0.4
253.09256	9.9
263.20099	1.6
271.16980	1.3
287.16666	0.4
289.18088	29.2
290.18408	2.1
291.19644	2.4
293.21146	1.5
305.17551	0.6
307.19147	25.3
308.19485	2.1
309.20798	5.1
323.18542	0.3
327.19717	0.9
345.20914	0.7
401.23349	0.9
419.24509	0.7
443.19342	0.4
445.20779	0.9
461.20438	0.8
481.29883	0.4
499.30597	1.0
517.31683	0.5
525.27563	0.4
543.28125	0.6
637.32361	1.3
655.33069	0.5
717.38770	0.3
735.39349	1.4
753.28241	0.3
753.40619	7.5
754.40985	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	753.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80561	0.4
55.01764	0.7
57.03326	1.5
59.00979	0.8
59.01250	8.1
61.98703	1.0
69.03330	0.8
71.01252	6.4
71.04888	0.8
71.06917	1.0
72.99178	0.8
73.02829	1.0
75.00751	3.3
80.02545	1.3
81.03333	2.8
83.01260	2.1
83.04903	5.7
84.02052	0.9
85.02826	2.7
87.00760	1.8
89.02325	3.0
93.03329	0.6
95.01252	0.6
95.04911	1.9
96.95879	1.0
97.02832	1.8
97.06458	2.7
99.00774	1.6
101.02325	5.2
109.02788	0.5
109.06463	2.9
110.03616	0.6
111.04390	0.5
111.08041	1.9
113.02325	3.1
119.03437	0.6
119.08560	0.4
121.06482	0.9
123.04433	1.2
123.08060	1.2
125.06041	0.7
125.09598	3.6
131.03407	0.5
133.09247	0.4
135.08044	1.1
136.91162	0.4
137.05951	0.5
137.09598	1.5
142.02618	0.5
143.03389	0.5
145.05008	0.6
149.09621	0.6
151.11182	1.7
160.56985	0.5
161.04477	1.9
161.09575	1.2
163.11195	7.6
164.11531	0.5
165.12750	4.1
169.12152	0.7
171.10153	2.1
177.12839	0.6
179.10684	2.0
181.12273	2.6
183.13808	0.6
185.11790	3.3
191.10721	1.6
191.14349	3.0
195.13838	1.4
197.11774	15.8
198.12094	0.7
199.13309	0.9
207.10223	8.7
209.11768	100.0
210.12109	4.9
211.13356	3.5
223.09784	0.6
223.13356	1.1
225.11252	5.8
226.11568	0.5
227.12840	12.8
228.13174	0.5
235.08189	2.9
237.11287	1.9
239.46519	0.5
241.10724	0.6
245.19067	6.3
247.13370	0.9
253.09265	10.6
254.09706	0.8
263.20117	4.0
289.18100	29.5
290.18420	2.5
291.19638	1.9
293.21240	2.6
307.19150	27.7
308.19601	2.4
309.20700	5.9
345.20380	0.5
401.23166	0.6
445.20871	1.2
461.20322	0.8
463.21759	0.5
481.54526	0.5
499.30457	0.6
543.28113	1.2
551.46997	0.4
637.32556	1.3
717.38495	0.8
735.40106	1.6
736.94867	0.6
753.40588	23.2
754.40869	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.4
57.03307	4.4
59.00986	1.9
59.01248	23.7
60.63533	1.4
61.98673	5.4
68.99658	2.1
69.03306	4.4
71.01257	17.8
71.04851	1.2
72.99185	2.9
73.02807	3.7
75.00723	4.3
78.95753	5.7
80.21120	1.3
81.03329	2.7
83.01244	2.4
83.04889	4.0
84.02026	1.7
85.02804	6.7
87.00735	4.7
87.17152	1.4
89.02307	6.5
95.01263	3.2
95.04909	2.9
97.02821	2.5
97.06454	6.6
99.00723	1.6
100.23090	1.2
101.02318	14.2
106.61962	1.3
108.07936	1.3
109.02782	1.6
109.06480	8.3
111.04377	4.5
111.08019	6.1
113.02327	6.5
116.92768	2.0
123.00699	1.8
123.04408	1.5
123.08044	2.6
125.02347	1.9
125.09600	4.2
133.04756	1.4
139.07454	1.2
145.04935	1.9
149.09576	2.2
151.11124	7.7
152.99435	2.0
161.04433	5.8
161.09622	3.9
163.11189	6.8
165.12762	18.7
167.10596	1.8
169.12166	1.8
171.10182	15.9
177.09071	1.9
177.12672	2.6
179.10654	4.7
181.12285	9.2
183.13821	100.0
184.14125	4.1
185.11658	2.7
191.10594	2.5
195.10147	3.1
195.13882	7.2
195.15356	1.6
197.11749	10.1
199.13316	4.8
205.08640	2.4
205.12245	2.9
207.10196	15.8
209.11768	33.3
210.12041	3.4
211.13344	13.5
212.13571	1.8
221.11716	4.3
222.12048	2.9
223.09866	7.7
223.13344	11.7
224.13658	5.2
225.11259	14.6
225.14752	2.0
226.11514	2.1
227.12863	20.1
235.08083	8.3
239.12851	3.5
245.18959	5.9
253.09261	19.3
254.09630	1.6
263.20163	5.0
264.20480	2.2
275.20123	3.1
277.21616	2.7
279.19479	1.4
289.18082	14.3
291.19629	12.1
292.19968	2.8
293.21219	25.0
294.21497	6.4
295.22424	1.7
307.19174	23.6
307.22665	2.6
309.20691	21.5
310.21017	7.5
311.21777	4.9
327.21701	1.8
401.23523	2.4
419.24026	3.2
443.19266	1.5
445.21078	6.4
461.20203	3.3
463.21790	6.0
477.83551	1.4
517.35205	3.2
535.36414	2.3
543.28156	2.7
547.30548	1.9
637.32404	7.9
655.32953	7.5
656.33234	1.9
735.39197	7.3
753.40723	78.7
754.40912	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	753.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.4
59.01248	7.2
61.98705	5.2
71.01256	6.0
71.04900	1.6
72.99181	0.5
73.02835	0.7
78.95766	0.7
80.02545	2.1
81.03324	2.5
83.01265	0.7
83.04899	5.5
84.02060	0.9
85.02821	2.1
87.00759	1.3
89.02330	3.9
95.04890	1.9
96.95883	3.0
97.02833	1.4
97.06475	0.9
98.03568	0.6
98.19821	0.9
101.02338	4.6
104.72652	0.5
106.04099	0.7
108.08820	0.5
109.06471	9.7
111.04402	2.8
111.08057	1.2
113.02335	2.6
119.03366	0.8
120.05643	0.6
121.06499	0.8
123.08001	1.5
125.02318	0.6
125.09617	1.4
127.07560	1.4
135.08072	1.8
137.09590	0.8
143.10680	0.9
145.06491	1.4
149.09662	1.1
151.11162	1.0
161.04443	1.9
163.11201	5.8
165.12749	2.3
167.10712	1.6
171.10161	7.8
172.10500	0.6
179.05467	0.8
179.10674	0.9
181.12225	1.8
185.11745	1.5
189.09128	0.7
191.10667	1.1
195.13835	2.5
197.11787	1.6
199.13423	0.6
207.10201	5.8
209.11763	100.0
210.12109	5.5
211.13322	2.3
223.13301	0.8
225.11256	7.8
227.12845	13.2
228.12984	0.5
235.08189	3.3
235.13298	1.0
237.14867	1.6
245.19081	3.2
249.14789	0.7
251.16628	0.7
253.09280	12.6
269.15698	0.5
271.17105	1.9
273.18884	0.6
287.16492	2.2
289.18088	80.9
290.18478	6.1
291.19653	2.2
299.20340	0.7
307.19153	5.1
309.20810	4.5
310.21091	0.7
327.19519	3.3
345.20773	3.8
443.19016	0.9
445.20715	1.4
461.20209	1.6
499.30701	2.1
517.31873	1.4
525.27032	1.7
581.29480	1.0
677.35309	1.2
717.38751	1.6
735.39807	6.1
736.40076	1.7
753.40814	4.4
754.41083	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	753.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.7
57.03307	2.9
59.01247	16.2
68.72045	0.9
69.03305	3.0
71.00905	0.9
71.01252	15.9
71.04869	0.9
72.99182	1.9
73.02789	2.8
75.00745	4.7
78.95759	3.9
80.02531	1.2
81.03315	1.9
83.01232	3.5
83.04868	3.4
85.02815	8.7
87.00726	4.2
89.02295	5.6
93.03347	1.3
95.01232	3.1
95.04852	1.6
95.22041	1.0
96.95850	1.6
97.02823	2.9
97.06475	4.6
98.20544	2.6
98.85004	0.9
99.00727	3.3
101.02325	8.8
107.04925	1.0
109.06447	3.5
111.04349	1.7
111.08001	4.2
113.01759	0.8
113.02334	10.2
115.00172	1.2
119.03378	1.0
122.21870	1.2
123.04379	2.1
123.08005	2.1
125.02249	1.4
125.09657	5.3
135.08003	1.1
137.05919	1.1
137.09572	2.5
145.04893	1.5
151.11201	1.4
152.99480	2.9
161.04379	2.6
161.09581	1.2
163.11165	8.3
165.12773	13.5
166.13022	1.5
167.10658	1.5
169.12239	1.7
171.10196	6.2
177.12802	1.3
179.05391	1.8
179.10660	1.8
181.12187	2.5
183.13820	100.0
184.14125	6.1
185.11765	5.2
186.63724	1.0
191.10591	1.9
191.14304	3.9
193.12234	1.6
195.13863	2.1
197.11754	9.5
198.11995	2.3
199.13391	1.7
205.08577	1.1
207.10225	8.2
209.11758	41.4
210.12106	2.0
211.13315	20.9
212.13615	1.0
223.09666	2.1
223.13295	11.8
224.13670	6.6
225.11189	6.6
225.13644	2.1
227.10732	1.3
227.12817	17.9
235.08186	7.0
245.19054	8.9
247.13371	1.0
251.12779	1.6
253.09239	15.7
254.09584	2.4
261.18497	1.1
263.20004	2.5
271.17068	1.4
273.18753	1.6
275.19885	1.0
280.06293	1.0
288.36185	1.1
289.18051	21.5
290.18332	1.8
291.19675	6.4
292.19885	2.0
293.21201	5.8
307.19131	19.8
308.19403	1.9
309.20676	9.8
310.20987	6.9
311.21201	4.2
329.21237	1.8
347.22260	1.2
365.23166	3.0
366.23434	1.3
445.20709	6.6
461.20361	2.9
463.21771	4.7
491.34238	1.1
517.35504	9.7
524.48395	1.0
535.36145	3.8
637.32001	3.1
655.33203	6.0
656.33893	2.5
726.58801	1.2
735.39697	5.0
753.40765	82.9
754.40967	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	3.7
59.01247	21.2
60.78278	2.0
61.98706	5.3
69.03322	4.4
71.01251	13.8
71.04924	2.3
71.56042	1.9
71.56466	3.4
73.02836	4.8
75.30296	1.7
78.95766	5.8
81.03333	4.0
83.04889	6.6
84.79358	2.1
85.02811	7.4
87.00737	2.0
89.02319	9.1
95.04903	4.5
97.02827	3.7
97.06460	2.6
101.02326	11.4
109.06446	2.8
111.04372	2.1
111.08019	6.4
113.02338	9.5
123.08048	1.9
125.09580	2.5
149.09625	2.9
161.04433	5.4
167.10693	3.8
168.66399	2.3
171.10153	5.2
177.12721	8.2
179.10620	2.8
179.14340	3.7
183.13823	3.5
193.12213	3.0
195.13843	25.2
197.11743	6.2
203.10716	2.7
203.17928	2.6
205.12267	7.9
207.10141	3.5
209.11765	5.9
211.13345	8.4
221.11763	64.0
222.12090	4.2
223.13341	85.0
224.13661	10.6
225.11397	3.3
225.13870	3.6
235.08186	10.0
239.12837	100.0
240.13116	6.9
245.19240	2.2
253.09232	29.9
254.09677	2.9
275.20096	5.7
289.18185	2.6
291.19635	55.2
292.20020	4.3
293.21213	91.4
294.21558	9.1
307.19083	3.6
308.19632	3.0
309.20572	10.6
457.20886	5.8
475.21606	12.9
751.42700	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	751.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.6
57.03323	1.3
58.00474	0.8
59.01248	7.0
62.05391	0.2
69.03318	2.7
70.80938	0.6
71.01249	5.4
71.04877	0.9
72.99165	0.2
73.02821	1.1
81.03323	0.3
83.01266	0.6
83.04879	1.2
85.02831	1.1
85.06434	0.3
87.00756	0.7
89.02309	3.9
93.03305	0.3
93.06975	0.3
95.04898	0.3
97.02835	0.3
97.06465	0.5
99.00802	0.3
99.57932	0.2
101.02316	5.9
109.06468	1.3
111.08042	9.3
113.02323	2.5
119.03410	1.3
123.08028	0.3
125.09624	0.6
127.07542	1.0
135.11717	0.2
141.09126	0.4
142.61360	0.2
143.03383	0.4
145.05002	0.3
147.92886	0.2
149.09613	0.6
151.11189	0.8
153.09125	0.5
153.12773	0.9
155.10710	0.2
161.04457	2.4
161.13226	0.3
163.11143	0.4
167.10683	2.7
169.12257	3.8
170.12598	0.3
171.10211	0.5
177.12762	1.0
179.05472	0.8
179.10719	1.6
179.14325	2.7
181.12238	0.9
183.13792	0.5
187.11220	0.3
193.12250	0.4
195.13837	9.6
196.14160	0.6
197.11765	46.4
198.12090	2.2
199.13287	2.7
205.12286	9.5
206.12572	0.5
207.10197	0.7
209.11729	0.7
211.13338	6.5
221.11777	1.8
223.13348	100.0
224.13687	6.4
227.12816	1.0
235.08214	4.4
239.12849	1.0
253.09265	22.2
254.09593	0.9
263.20123	3.7
265.18082	0.8
273.18457	0.8
291.19647	17.2
292.19995	1.5
293.21359	1.7
309.20697	63.6
310.21048	5.1
433.20688	0.7
441.21286	0.5
459.22369	8.1
460.22586	1.1
495.46008	0.3
515.33722	1.3
527.28320	0.9
538.05194	0.3
545.29547	2.2
615.71466	0.3
751.43164	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	753.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.6
59.01230	4.2
61.98708	5.7
69.03303	2.8
71.01271	3.4
71.16058	2.4
72.99180	2.0
78.91714	1.9
78.95793	1.7
80.96398	2.2
83.01252	2.2
89.02322	1.8
93.03319	3.7
95.01225	1.6
95.04947	1.5
96.95894	23.0
97.02834	5.7
101.02301	2.1
108.02074	1.9
109.02843	8.4
117.03328	2.3
119.04890	6.3
121.02835	1.8
123.00740	2.3
123.04398	5.8
125.02331	82.0
137.02351	9.2
145.02850	4.1
149.02342	5.2
151.03905	7.3
159.04408	2.1
161.02328	4.3
161.05988	5.9
163.03909	2.1
165.01804	5.3
166.99698	3.3
169.01326	100.0
170.01637	2.6
171.04428	1.7
179.03474	1.9
185.06004	1.7
187.03851	3.6
193.01328	4.3
197.11778	2.5
202.06207	1.9
203.07054	5.8
205.04872	4.9
209.11714	11.8
210.12086	3.3
211.13423	2.6
213.05360	1.7
229.04788	2.0
245.08125	8.1
247.05983	1.7
255.06573	5.1
265.07495	2.2
267.06549	2.3
271.06155	5.9
281.05029	1.7
281.08084	6.3
289.07111	30.0
290.07559	1.7
303.05109	3.5
307.08832	1.8
309.20868	3.3
311.12878	5.0
401.10275	2.1
415.14603	2.3
419.11456	11.7
420.11728	2.3
437.15994	3.3
441.08234	6.6
481.14963	6.1
482.15469	1.7
571.12268	2.9
601.20734	27.1
602.20752	4.1
753.20142	2.4
753.31921	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	751.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22728	2.8
59.01254	24.4
61.98701	86.7
65.30544	2.3
69.30714	2.5
70.34719	3.1
71.01247	23.0
71.57703	3.3
75.00736	4.7
78.95760	4.5
80.96393	3.1
83.01240	3.4
83.04893	3.0
83.26849	3.3
85.02811	4.4
87.00751	8.6
89.02299	17.7
94.97971	2.4
96.95889	6.5
97.02828	5.2
101.02331	17.7
101.59408	2.2
109.06445	2.9
113.02341	8.3
124.11105	2.6
125.02324	10.2
129.24405	2.6
143.10672	15.4
161.04449	3.4
171.10100	5.2
179.05415	2.6
185.11731	6.6
195.13860	7.1
199.13208	3.4
207.10126	6.2
209.09872	4.9
209.11780	77.1
210.12207	5.5
211.13364	27.5
212.13655	6.5
223.13318	8.7
225.11247	4.7
227.12848	8.6
235.08139	7.8
253.09323	5.7
275.20175	5.8
287.16333	6.0
289.17923	3.8
293.21237	100.0
294.21536	8.3
305.17545	4.6
379.12180	4.2
397.13522	40.3
415.14526	35.4
447.08350	2.6
462.40527	3.0
623.22290	2.9
644.16199	3.4
647.81989	2.9
691.35138	3.2
733.36963	3.3
734.39093	2.9
751.38794	3.3
766.99438	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	751.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.6
57.03322	1.5
59.01252	8.2
69.03339	3.4
71.01253	6.3
71.04887	1.2
71.19455	0.5
71.19991	1.1
73.02834	0.9
83.01250	0.6
83.04900	2.1
85.02831	2.3
85.06425	0.5
85.93012	0.5
87.00726	1.6
89.02325	4.4
93.03374	0.7
94.43766	0.5
95.04924	1.3
97.02820	0.6
97.06466	1.7
99.00826	0.6
101.02316	6.1
109.06489	1.3
111.08039	0.7
113.02299	3.5
113.09606	1.6
115.07508	1.1
119.03377	1.3
125.09628	0.7
128.25549	0.6
131.55046	0.5
139.11218	1.2
141.09100	1.6
145.04961	1.2
145.35918	0.5
149.09677	0.6
161.04507	2.7
162.20654	0.5
165.12755	2.4
167.10703	3.9
167.14305	1.7
171.10216	0.8
177.12770	1.5
179.05475	1.0
179.10703	1.6
179.14357	4.7
181.12245	2.9
183.13864	1.2
193.12265	1.1
193.15985	0.7
195.13841	17.0
205.12277	10.9
206.12627	0.7
211.13312	3.3
221.11816	7.9
221.15305	3.1
222.12221	0.8
223.13338	100.0
224.13666	5.7
235.08159	5.9
236.08875	0.6
239.12885	4.1
240.13646	0.8
241.14485	0.9
247.20638	3.2
253.09250	15.1
255.15927	2.8
263.20218	0.7
265.21701	0.9
267.14664	0.7
273.18582	2.5
275.20148	0.8
277.18011	1.5
281.21201	1.3
291.19656	30.4
292.19992	3.1
293.21198	11.2
309.20694	82.6
310.21054	5.3
459.22336	9.0
460.22552	1.0
497.32648	1.7
515.33423	0.9
527.28619	4.1
545.29724	10.9
546.29944	0.9
571.36475	0.6
609.32721	1.4
733.41309	2.0
734.42499	0.7
751.42670	6.1
752.43274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80326	0.2
55.01756	0.5
57.03327	1.4
58.00471	0.7
59.01248	7.1
60.24177	0.2
66.57628	0.2
67.01760	0.2
69.03315	2.6
70.43226	0.5
70.43619	0.6
71.01247	5.2
71.04884	0.7
71.23444	0.2
71.31865	0.2
72.99171	0.3
73.02804	0.9
80.02484	0.2
81.03326	0.4
83.01263	0.8
83.04871	0.5
85.02823	1.3
85.06461	0.4
87.00755	0.8
88.08657	0.3
89.02313	3.4
93.03337	0.3
93.06969	0.2
95.01233	0.3
95.04933	0.5
97.02815	1.1
97.06451	0.5
99.00750	0.3
101.02318	4.6
109.06483	1.3
111.08041	7.9
112.08379	0.2
113.02321	2.7
115.03873	0.2
119.03391	0.9
125.02345	0.3
125.09615	0.6
127.07552	0.5
131.03397	0.3
133.04979	0.2
135.11682	0.3
137.09526	0.3
141.09088	0.3
143.03410	0.5
145.04950	0.6
149.09624	0.6
151.11166	0.5
153.09097	0.5
153.12753	0.8
161.04457	2.3
161.09700	0.2
161.13284	0.5
163.11104	0.3
165.12743	0.7
167.10684	3.9
169.12241	3.6
171.10168	0.7
177.12764	0.9
179.05559	0.7
179.10728	1.8
179.14317	3.7
180.14697	0.2
181.12263	0.5
193.12360	0.3
195.13821	10.5
196.14221	0.6
197.11755	41.9
198.12132	1.6
199.13315	2.7
205.12263	10.5
206.12662	0.6
209.11812	0.5
211.13342	5.9
221.11745	0.5
223.13333	100.0
224.13669	5.9
227.12862	1.5
235.08176	4.1
247.20703	0.7
249.15012	0.3
253.09261	16.0
254.09593	0.6
263.20108	2.3
265.18085	1.2
273.18689	0.8
291.19659	16.1
292.19977	1.7
309.20691	47.6
310.21069	4.2
348.72473	0.2
433.20645	1.0
441.21222	0.5
459.22324	8.9
460.22858	1.4
515.33942	0.9
527.28455	0.7
545.29645	1.9
546.29718	0.3
733.41144	0.3
751.42181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.9
59.01247	8.3
61.98680	2.8
71.01258	10.8
72.99177	3.7
73.02798	1.2
75.00743	13.7
80.02517	1.0
80.14941	0.7
81.03322	1.9
82.91667	0.7
83.01260	1.8
83.04888	6.4
84.02019	2.1
85.02821	14.7
85.46455	0.6
87.00739	3.1
89.02306	2.3
95.01256	2.9
95.04903	1.5
96.95863	1.5
97.11373	0.7
99.00755	6.2
101.02268	1.6
103.00262	1.9
111.96922	0.6
113.02331	13.8
115.00276	0.8
117.01830	1.5
123.04414	0.9
125.02356	2.2
125.05976	1.1
125.09660	0.7
135.08044	1.5
159.10152	1.0
163.11186	5.4
165.12785	3.5
169.01299	0.9
175.02379	2.0
181.12207	1.6
191.10683	2.0
209.00084	0.7
209.11766	100.0
210.12123	6.6
227.12833	11.2
228.13303	0.9
249.06030	1.3
253.09241	2.2
477.19736	1.3
638.07941	0.7
669.30725	0.9
687.32275	18.3
688.33008	2.1
701.17236	0.8
719.34912	31.4
720.34961	5.4
751.37683	26.0
752.38080	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	749.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.2
58.00466	0.5
59.01248	7.8
63.23970	0.5
69.03333	2.2
71.01257	6.0
71.04891	2.5
72.99176	5.6
73.02823	1.4
78.95752	0.6
81.03337	1.4
82.95293	2.0
83.01249	1.0
83.02356	0.4
83.04883	1.2
85.02830	1.4
87.00749	1.0
89.02312	3.6
91.93019	0.4
95.01256	0.7
95.04890	1.4
96.95903	1.0
97.06459	0.6
101.02322	5.0
106.04164	0.7
109.06478	7.7
111.04404	3.3
111.08050	1.6
113.02309	2.7
119.03371	1.1
122.82736	0.4
123.08048	1.1
125.09662	0.6
127.07555	1.0
135.08054	0.8
137.09604	0.6
141.09137	0.5
143.10678	1.1
145.04953	0.8
145.06468	1.5
149.09616	1.6
151.11243	0.5
161.04433	2.5
161.09714	0.6
161.13255	0.5
163.11243	0.6
167.10677	4.3
171.10158	0.6
177.12775	1.5
179.05540	0.8
179.10754	2.0
179.14348	3.7
181.12132	0.5
185.11800	0.4
195.12030	0.7
195.13835	13.9
196.14171	0.5
205.12268	9.7
209.11797	1.9
221.11774	0.6
223.13344	100.0
224.13696	6.0
229.43642	0.4
235.08229	4.3
235.13327	1.2
237.11237	1.0
237.14931	1.9
245.19118	4.6
249.14827	0.4
251.16533	0.4
253.09229	12.3
254.09492	0.5
271.17041	1.3
273.14951	0.7
275.16455	1.2
287.16605	1.1
289.18082	91.9
290.18436	8.7
293.21240	1.1
307.19162	5.7
327.26627	0.4
348.64465	0.4
393.27719	0.7
437.27261	2.0
441.21152	0.6
455.28009	1.0
459.22418	8.0
460.22849	1.4
471.05811	0.5
477.29984	0.7
495.30783	1.2
507.25531	0.5
513.32367	1.2
525.26947	2.4
526.27100	0.5
598.40790	0.4
621.32538	1.0
673.36279	1.6
731.40173	2.6
749.40906	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	3.0
59.01242	15.8
67.01778	2.4
68.99691	2.5
71.01255	33.6
71.27192	2.3
71.27545	2.9
72.99182	9.2
73.02824	2.4
74.89820	1.9
75.00739	29.5
76.34492	1.8
85.02812	29.1
87.00734	9.2
89.02323	2.5
93.68327	1.9
95.01264	5.2
99.00755	20.8
101.02335	2.1
103.00268	2.7
109.06472	2.8
113.02325	35.7
115.00262	2.7
117.01823	2.9
129.01794	3.5
153.09171	1.8
157.01320	5.7
163.11133	3.4
171.10164	18.2
175.02415	5.4
192.24197	1.9
199.09724	5.5
201.11288	5.0
207.10178	7.3
224.39906	1.9
225.11250	9.0
237.22038	1.9
249.06172	3.7
255.23264	100.0
256.23642	8.7
437.50577	1.8
471.34085	2.1
487.29370	3.7
505.30136	7.3
617.56970	2.2
639.40070	2.6
659.40106	28.2
660.40533	5.1
687.39490	18.6
688.39520	4.9
713.41101	48.0
714.41919	13.0
731.42322	29.5
732.42322	5.1
749.42365	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	749.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43407	0.5
57.03318	1.7
57.71926	0.5
59.01252	9.4
59.80395	0.5
69.03345	2.7
71.01248	7.1
71.04885	0.8
71.56290	0.5
71.56734	0.9
72.99184	0.8
73.02818	1.5
73.37828	0.5
78.95770	0.5
80.02573	0.7
81.03339	1.5
83.01250	2.2
83.04900	1.2
84.02085	0.5
85.02830	1.6
85.06464	0.6
86.49801	0.5
87.00754	1.5
89.02319	4.3
93.03300	0.7
95.01274	1.0
95.04903	1.5
97.02828	1.9
97.06453	2.6
99.00745	0.8
101.02308	4.5
109.06487	1.5
113.02325	3.4
119.03345	1.2
121.06482	0.8
123.04408	1.5
123.08008	0.6
125.09613	5.2
135.08017	1.2
137.09618	2.2
145.04961	0.9
149.05927	0.6
149.09621	1.3
160.08867	0.6
161.04462	2.7
161.09639	0.9
163.11153	3.2
165.12799	1.0
167.10658	4.6
171.10136	0.7
177.12779	1.2
179.10686	1.9
179.14304	4.1
185.11757	6.7
191.10744	1.1
191.14319	4.5
195.13846	13.1
205.12285	12.5
206.12625	0.8
207.10239	2.7
209.11745	10.6
211.13330	0.8
217.15891	0.8
219.13794	1.0
221.11993	0.6
223.13344	100.0
224.13739	5.1
225.11316	2.0
235.08127	3.3
237.11217	2.5
245.15347	1.3
245.19077	8.1
246.19318	0.6
253.09251	12.7
263.16553	0.7
263.20132	1.9
271.17026	1.5
279.23145	0.9
289.18094	37.7
290.18478	2.2
291.19873	0.6
307.19147	33.2
308.19455	1.6
396.38577	0.6
397.24002	2.0
415.25031	3.4
459.22314	4.9
477.29709	0.7
495.30887	2.0
513.32458	3.2
525.26819	1.3
531.33099	1.7
633.32794	8.0
634.33142	1.3
651.33405	2.6
713.39136	2.3
731.40863	1.5
749.40942	4.8
750.41852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.8
57.03334	2.2
59.01252	9.3
61.98697	1.1
67.01754	0.7
69.03325	1.2
69.24303	0.4
71.01247	11.5
72.99177	4.5
73.02812	1.0
75.00748	12.8
76.52493	0.5
85.02818	13.8
87.00744	4.8
89.02299	2.2
95.01258	4.3
98.20532	1.4
99.00754	8.3
99.95775	0.5
103.00258	1.3
112.34118	0.5
113.02326	19.4
115.00235	1.3
117.01802	2.0
121.10114	0.5
129.01819	1.2
131.03389	0.5
157.01248	0.6
167.10660	1.7
175.02393	3.0
179.10738	0.7
179.14322	2.0
187.70712	0.5
193.03336	0.6
195.13832	7.4
196.14352	0.5
197.15358	1.3
205.07060	0.6
205.12283	3.6
223.13333	24.0
224.13698	0.9
249.06145	2.3
275.20078	1.7
279.23206	1.1
280.23459	0.5
293.21207	14.5
294.21518	1.2
390.15439	0.7
455.19299	1.4
473.20248	2.6
525.27008	1.3
543.27911	2.2
680.34509	0.5
731.40533	1.7
749.41107	100.0
750.41400	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	749.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	6.8
61.98701	12.1
70.58300	2.4
71.01239	7.0
72.99165	1.8
75.00740	2.7
75.66318	1.1
77.94430	1.3
79.95645	2.3
80.96390	2.6
83.04896	3.9
85.02811	2.2
88.98681	3.1
89.02319	4.5
96.95889	4.0
101.02316	5.2
113.02303	2.1
125.02316	3.3
128.46645	1.4
140.21565	1.4
149.02254	1.4
161.04498	1.3
162.19691	1.4
163.11186	4.4
165.12729	1.9
169.01259	1.7
183.13814	6.1
185.11772	1.6
188.97211	1.2
193.12270	1.9
197.11649	1.6
209.11757	96.7
210.12105	4.0
211.13332	100.0
212.13657	3.6
227.12833	18.1
235.08215	3.6
253.09200	8.2
291.19778	7.3
397.13416	4.8
415.14499	1.5
429.21436	1.4
445.20755	3.0
447.22232	7.0
621.33344	1.9
639.33295	1.5
770.18304	1.4
778.82220	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	749.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.2
59.01252	6.4
60.99174	1.5
61.98703	16.5
71.01240	5.6
72.99184	2.9
75.00758	2.5
80.98216	1.0
83.01256	1.3
83.04899	5.6
83.25654	0.9
85.02825	1.4
87.00763	1.4
88.98680	5.3
89.02314	2.7
89.18313	0.9
96.95881	3.7
98.19740	1.7
101.02322	3.7
108.13196	0.9
111.51026	1.1
113.02335	2.7
115.27504	1.2
125.02326	4.5
151.03818	1.1
161.04494	1.8
163.11157	2.6
165.12802	1.9
169.01323	3.6
170.70142	1.1
171.10228	2.7
183.13808	6.5
197.11760	1.1
199.13239	1.2
200.17204	1.1
209.11769	97.5
210.12109	5.2
211.13335	100.0
212.13699	6.8
225.11171	1.2
227.12830	16.3
228.13301	1.2
235.08315	3.1
253.09290	9.3
291.19495	2.3
332.47568	1.2
403.24713	1.4
429.21332	1.2
445.20728	4.5
447.22266	7.8
470.37796	1.1
490.49527	1.1
621.32867	1.7
639.33752	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	748.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.7
60.01572	0.1
61.98698	100.0
62.64563	0.1
62.98396	0.1
69.03338	0.1
71.01254	0.2
72.99190	0.1
75.00761	0.5
78.95813	0.2
79.93925	0.1
80.22732	0.1
87.00755	0.1
89.02300	0.1
91.95781	0.1
98.19763	0.2
101.02304	0.1
113.02295	0.2
116.20588	0.1
124.76796	0.1
125.02341	0.1
145.22511	0.1
165.09125	0.1
171.10141	0.1
183.13849	0.2
195.13901	0.4
196.14197	0.1
197.11690	0.1
205.12321	0.2
206.12602	0.2
209.11719	0.1
211.13332	2.2
212.13651	1.6
213.13933	0.8
214.14299	0.1
223.13339	2.3
224.13658	1.4
225.13866	0.6
226.14146	0.2
253.09294	0.2
277.21808	0.1
283.90741	0.1
288.91068	0.1
289.18253	0.2
295.22812	0.3
307.19281	0.2
392.99606	0.1
448.22754	0.2
449.23038	0.2
459.22287	0.1
461.22717	0.2
462.23471	0.2
583.79205	0.1
656.37183	0.2
730.42834	0.1
748.43311	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	747.3808
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.5
59.01249	12.2
61.98703	6.9
69.03330	2.6
70.59431	5.3
71.01254	8.0
72.99162	2.1
73.02803	1.8
75.00742	8.5
78.95790	3.7
81.03323	1.9
83.04893	4.3
87.00759	2.1
88.98673	2.4
89.02303	5.4
94.61423	1.6
97.02811	2.3
99.00762	4.2
101.02341	5.5
109.06460	1.7
113.02325	3.0
119.03329	1.9
125.02372	3.5
125.09646	1.5
128.19946	1.6
135.07922	2.1
152.04333	1.7
163.11188	6.6
165.12820	3.0
167.10689	2.2
171.10176	6.0
179.05602	1.6
179.14316	3.5
181.12245	5.8
183.13837	3.1
195.13792	7.7
197.11778	4.9
201.11276	3.6
205.12300	7.2
207.10211	23.8
209.11765	100.0
210.12100	6.3
211.13332	62.0
211.15369	3.3
212.13644	2.5
223.13335	86.5
224.13811	4.4
225.11284	40.1
227.12813	20.4
235.08182	6.3
239.12869	1.6
243.12315	3.2
253.09161	12.1
261.14893	1.5
293.21222	2.3
309.20724	1.6
327.21448	1.6
443.19171	1.8
445.20645	4.0
459.22449	13.3
461.20453	16.4
462.20560	1.6
502.38968	2.3
633.33038	3.7
637.32037	6.1
651.33954	4.3
655.33331	18.6
656.34314	2.8
747.42859	3.6
748.40198	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	747.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37511	0.8
57.03309	3.3
59.01245	13.7
64.49823	0.7
68.99701	1.2
69.03313	0.9
71.01250	18.5
71.19327	1.2
71.19646	1.0
72.99168	6.8
73.02790	1.3
75.00745	21.7
80.02555	1.7
81.03326	1.3
83.01258	1.6
84.02039	1.7
85.02817	23.5
86.17819	0.9
87.00745	8.0
89.02306	2.8
95.01265	5.6
99.00751	13.5
101.02309	0.9
103.00240	3.3
113.02327	26.6
115.00248	2.3
117.01813	3.5
129.01805	2.0
156.30153	0.9
157.01262	1.0
163.11156	2.7
165.12753	2.0
175.02420	4.3
205.07176	1.1
209.11758	38.7
210.12158	1.9
227.12802	2.9
228.50255	0.8
249.06099	2.7
255.23270	90.6
256.23593	6.1
413.43219	0.9
459.18686	0.9
477.19315	0.9
505.30255	3.7
697.41663	2.0
715.42682	100.0
716.42969	20.3
747.45325	69.2
748.45630	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	747.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91698	0.7
55.01737	0.7
59.01245	17.3
60.77970	0.7
69.61819	5.1
71.01248	11.9
72.99187	1.8
73.02814	1.4
85.02811	4.5
87.00764	2.0
89.02311	9.8
89.30872	0.7
93.03311	4.7
95.01247	1.4
96.95908	1.0
98.20515	1.4
99.00739	0.8
99.64704	0.7
101.02316	7.5
108.02051	1.1
109.02833	2.0
113.02301	4.3
118.09733	0.6
119.03394	5.8
119.04868	0.7
121.02838	7.9
122.03625	15.6
123.00772	0.9
123.04404	1.3
124.01559	1.2
125.02357	1.6
132.02046	1.4
133.02814	2.9
134.03653	2.4
135.04417	2.6
136.01555	2.8
137.02318	1.6
138.03120	0.8
143.03363	0.8
145.02841	1.5
145.09930	0.7
146.03662	0.7
147.04297	1.1
149.02333	25.3
149.05981	2.7
150.03117	100.0
151.00397	0.8
151.03618	3.1
161.02344	1.2
161.04466	1.5
162.03102	1.0
163.03882	2.8
164.04738	4.8
165.05470	98.8
166.02657	0.8
166.05858	4.3
166.07033	0.8
169.01306	1.8
174.03145	0.9
175.03853	3.4
176.04648	0.8
177.01805	0.7
177.05438	1.6
179.05548	3.0
180.04239	7.3
187.03877	0.9
189.05521	1.5
190.06264	3.4
191.07167	3.2
192.04034	0.7
193.04977	1.6
194.05824	2.3
195.06549	70.0
196.06905	2.8
205.08653	3.1
207.06516	1.2
208.07300	2.0
218.44766	0.8
219.06522	0.9
220.07188	0.8
290.76636	0.7
311.09348	1.4
344.12543	1.9
345.13272	1.3
356.12555	1.0
359.14938	18.8
360.15396	1.1
371.14893	4.6
372.15201	1.2
374.13516	1.1
389.15741	1.4
447.09433	1.0
461.15823	0.7
506.17731	1.2
507.20212	1.7
519.19879	1.1
521.20374	5.9
533.20331	4.3
537.21130	8.3
538.21759	0.9
551.21497	3.6
585.23376	16.3
586.23322	3.3
681.25067	5.1
699.26508	39.4
700.26691	6.2
747.28644	16.3
748.28906	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	747.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48706	0.8
57.48809	0.8
58.00477	1.5
59.01249	20.6
61.98690	0.9
69.36165	4.2
69.36590	4.0
71.01253	19.2
72.99176	1.6
73.02804	1.6
74.22581	0.9
78.95733	1.3
83.01250	2.0
85.02821	4.0
87.00769	2.2
89.02316	19.5
93.03340	3.8
95.01232	1.4
96.95899	2.1
98.20634	1.9
101.02323	11.5
109.02840	1.8
113.02329	6.9
118.97964	2.0
119.03390	12.1
120.01157	4.0
121.02865	7.2
122.03638	13.6
123.04475	1.3
125.02316	3.1
131.03430	1.0
133.02797	2.1
134.03590	2.0
135.04417	2.3
136.01561	1.9
137.02336	1.7
143.03433	1.9
145.02896	2.7
149.01204	2.0
149.02341	23.4
149.05984	2.2
150.03127	100.0
151.03534	4.3
161.04472	2.2
162.03136	1.4
163.03929	1.2
164.04686	3.9
165.05484	78.7
166.05890	5.1
167.15179	0.9
169.01300	2.1
173.05986	1.2
175.03987	1.4
177.01782	1.2
177.05574	1.4
179.05504	6.2
180.04245	6.2
187.03986	1.3
190.06219	1.0
191.07086	1.1
194.05931	1.0
195.06561	36.1
196.06909	2.6
205.05013	1.6
219.06548	1.2
227.33148	1.0
235.09775	0.8
243.02840	0.9
285.04245	1.8
311.09244	2.2
345.13467	1.2
357.13593	1.1
359.14877	2.3
371.14908	8.6
372.15356	1.1
462.64966	1.0
506.17783	1.1
507.20062	2.2
521.20380	9.1
522.20581	1.5
533.20203	9.5
537.21143	4.3
551.21155	8.3
576.14203	1.2
681.24884	1.9
699.26495	33.3
700.27179	4.7
747.16272	1.9
747.28619	10.6
748.29340	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	747.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
61.98679	1.1
68.01290	2.7
69.00805	1.5
71.01257	1.4
71.57459	1.0
71.57860	1.6
72.38301	1.0
85.02838	1.1
86.38510	1.0
93.03342	3.6
96.95899	2.1
109.02840	3.6
110.03187	1.1
121.02832	13.3
122.03631	11.8
123.00762	1.6
123.04377	2.2
124.01537	1.6
125.02324	2.8
132.02054	3.0
133.02837	4.6
134.03619	1.2
135.04376	5.7
136.01547	3.0
137.02347	3.4
139.00154	1.2
145.02873	2.4
147.04399	2.3
149.02341	34.2
149.05981	3.7
150.03125	100.0
151.03639	4.5
161.06020	1.3
162.03043	1.2
163.03958	6.5
164.04715	8.7
165.05475	94.6
166.05838	4.1
169.01283	2.6
174.03253	1.3
175.03880	9.8
175.07472	1.3
176.04681	1.8
177.05426	2.2
179.03387	2.0
179.07024	2.9
180.04192	11.6
181.04910	2.0
188.04718	2.1
189.05492	4.7
190.06259	13.4
191.03535	1.3
191.07060	8.2
193.04987	7.1
193.06509	1.2
194.05754	6.9
195.06551	59.4
196.06831	1.7
203.07094	1.7
205.08635	10.3
207.06569	4.9
208.07344	6.5
223.09662	1.1
265.83002	1.2
301.03558	1.6
344.12704	3.3
345.13239	5.1
357.13382	4.5
358.14407	1.7
359.14954	57.8
360.15237	3.8
375.14615	1.6
389.15884	5.7
447.09286	1.8
507.19861	3.3
537.21240	69.9
538.21588	8.5
555.22162	1.8
567.22443	1.6
585.23358	53.2
586.23651	8.6
745.30035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.76072	0.8
69.92229	1.5
69.92621	1.8
78.95771	21.1
79.17346	0.7
80.02523	1.4
81.03313	2.5
83.04900	7.9
84.02025	1.3
95.04900	1.1
103.96027	0.7
107.39076	0.8
125.05984	1.2
135.07974	0.9
152.99347	1.0
153.06464	0.7
163.11212	5.4
163.74786	0.8
165.12796	4.6
168.04221	5.0
185.92978	0.9
191.10712	1.9
209.11766	100.0
210.12079	5.0
224.06798	2.5
227.12834	30.7
228.13202	1.4
259.15500	0.9
277.21814	1.7
279.23273	55.3
280.23602	4.9
281.24808	1.3
385.41437	0.9
504.31244	4.2
714.43439	7.9
715.43994	2.1
746.45984	34.9
747.46674	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	747.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19529	1.0
63.02267	1.5
65.00196	1.4
69.92033	3.9
69.92446	2.2
70.83454	1.1
107.01281	2.0
109.02824	2.3
133.02815	2.5
151.00301	2.2
171.04451	3.2
175.03879	1.6
197.02489	1.2
199.03922	6.2
201.01825	2.3
209.75748	1.2
215.03520	2.4
222.16797	1.1
227.03404	3.5
243.02840	5.0
255.02866	2.0
271.02460	49.7
272.02795	3.9
299.01941	100.0
300.02539	13.7
301.03226	1.3
427.89462	1.1
437.64029	1.2
524.53528	1.1
739.22961	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02262	3.8
65.00194	7.5
69.35998	9.6
83.01232	5.3
93.03337	2.1
95.01240	1.0
98.60844	0.8
107.01266	12.1
109.02785	1.1
111.36211	1.0
121.02843	9.3
125.02343	2.5
145.02829	2.1
149.02292	1.9
149.45432	0.9
151.00272	39.3
163.00330	1.0
164.32889	1.0
169.01398	4.4
175.03969	1.1
178.99771	16.7
193.01260	0.9
205.04872	1.1
212.49980	0.9
228.23482	1.0
239.13052	1.0
241.04958	3.7
243.06787	0.9
245.04498	1.2
269.04523	6.1
273.04041	2.8
285.04034	1.1
298.04776	5.5
299.05594	3.9
301.03516	100.0
302.03909	6.4
312.06192	1.0
445.11404	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	747.2875
Annotation	Alangisesquin D
Peak:m/z	Relative Intensity
57.03318	1.0
59.01251	21.8
61.98691	1.4
69.28812	8.3
71.01251	15.9
72.99166	2.1
73.02821	1.3
78.95797	1.1
82.15261	0.9
82.62712	0.8
85.02799	4.1
85.99966	0.8
87.00735	2.3
89.02320	16.6
93.03344	4.3
95.01245	1.5
96.95899	2.4
99.00763	1.3
101.02328	11.7
105.03365	0.9
108.02003	1.1
109.02856	1.1
110.87940	0.8
113.02340	7.0
119.03385	9.2
120.01122	3.0
121.02869	7.3
122.03625	14.7
123.04405	1.2
124.01578	1.3
125.02374	2.0
131.03394	0.9
133.02846	2.8
134.03603	1.7
135.04451	1.2
136.01543	2.9
137.02341	1.8
143.03392	1.5
145.02893	1.2
147.04453	1.0
149.02348	22.1
149.04445	1.4
149.05963	1.7
150.03131	100.0
151.00261	1.1
151.03665	3.2
160.09157	0.8
161.04454	2.7
161.05846	1.1
163.03870	1.2
164.04655	3.5
165.05484	89.5
166.05836	3.4
169.01331	1.5
179.05516	7.9
180.04222	6.6
182.05345	0.9
187.04044	1.2
190.08542	0.9
195.06551	42.2
196.06868	2.7
201.20872	0.8
255.02911	1.2
270.13702	0.9
283.09717	0.9
285.03857	1.1
291.11417	0.9
311.09375	1.6
313.10870	1.1
326.11414	1.6
355.11743	0.9
356.12704	1.4
357.13159	1.3
358.14032	1.0
359.14990	2.7
371.14944	8.0
389.16040	0.9
503.15677	1.7
506.17920	1.8
507.20062	1.9
507.64325	0.9
521.20190	14.0
522.20514	1.7
527.24988	1.0
533.20355	16.8
534.20099	1.6
537.21094	5.7
551.21326	8.7
585.23029	1.3
681.25525	3.5
699.26526	37.5
700.26556	6.2
729.28613	1.0
747.28424	13.8
748.29071	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	746.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29478	0.8
54.31776	0.7
55.19081	0.6
59.01251	1.3
71.04185	0.7
78.77428	0.7
78.95776	12.1
81.03351	1.1
83.04900	1.5
98.20576	1.5
133.32268	0.6
153.77513	0.8
163.11148	0.9
168.04231	4.4
173.39153	0.7
209.11760	26.9
210.12120	1.2
218.83383	0.7
219.08752	0.7
224.06743	1.7
227.12799	8.6
263.20062	0.8
279.23285	100.0
280.23593	9.8
466.22549	0.9
484.23083	2.8
555.79730	0.7
714.43665	5.2
715.43622	1.0
746.46088	26.1
747.46387	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	745.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68330	0.5
59.01244	1.4
60.66321	0.6
70.86102	0.5
71.01257	1.3
71.58267	0.6
78.95798	0.7
84.21912	0.5
85.02805	0.9
87.07876	0.6
89.02312	1.1
93.03336	2.7
95.01239	0.8
96.95901	1.6
104.43463	0.5
104.82895	0.5
107.01303	0.6
108.02059	0.8
109.02847	0.8
111.30357	0.5
113.02310	0.6
119.04874	0.5
121.02831	4.3
122.03622	11.4
123.00751	1.4
123.04399	0.8
124.01522	0.9
125.02330	4.9
130.39398	0.5
133.02835	1.4
134.03633	0.9
135.04391	0.9
136.01535	10.9
137.02327	1.6
139.96852	0.4
145.02812	1.1
147.04453	0.7
148.01778	0.5
149.02333	17.7
150.03125	83.4
151.00287	3.6
151.03926	11.8
152.04378	0.9
160.05136	0.6
162.03136	0.9
163.03946	0.8
164.04697	3.8
165.05478	100.0
166.02623	8.5
166.05818	4.9
167.03329	0.6
169.01355	5.9
174.26245	0.5
175.03860	1.2
177.01878	0.8
177.05440	1.3
179.03410	0.6
180.04207	5.5
181.04988	10.4
190.06265	1.7
191.07283	0.6
193.05000	0.6
195.06549	96.1
196.06865	5.0
205.05168	0.6
209.11823	0.5
221.08136	0.7
229.04913	0.8
255.02869	1.0
284.03162	1.1
285.04062	4.5
309.07413	0.8
341.10599	0.7
342.11142	1.1
357.09549	2.9
357.13428	7.8
358.13751	0.7
372.12177	1.3
373.12711	1.2
387.14453	26.4
388.14685	1.7
431.09790	1.1
509.28159	0.7
535.20038	3.6
553.20441	1.1
565.20544	1.1
581.09387	1.7
583.21863	18.0
584.21887	2.3
597.07831	0.6
599.10553	2.2
686.98712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	3.7
65.00185	1.2
69.03316	1.6
69.47265	6.7
71.01247	3.6
78.95763	1.0
83.01247	2.8
85.02825	2.0
89.02316	3.4
93.03331	4.6
95.01261	2.1
96.95892	1.8
101.02320	1.9
107.01246	6.2
109.02844	2.3
111.00742	2.1
112.95909	0.9
113.02316	1.7
119.03377	1.8
121.02855	17.2
122.03645	15.6
123.00774	5.2
123.04428	1.3
124.01530	2.4
125.02335	23.5
133.02817	2.8
134.03651	1.9
135.04410	9.0
136.01563	23.3
137.02292	4.5
139.00255	1.5
140.01048	2.2
143.03273	1.3
145.02817	2.5
147.04385	1.5
149.02341	38.2
149.05986	1.3
150.03123	100.0
151.00266	23.8
151.03920	29.6
152.01010	1.9
153.01791	1.1
161.02403	1.9
162.03113	1.5
163.00348	1.1
163.03905	4.5
164.00978	1.0
164.04750	6.8
165.05475	99.3
166.02629	17.5
166.05815	5.6
166.99767	1.1
167.03340	3.0
167.04742	0.9
168.00499	2.6
169.01321	27.2
170.01659	1.0
172.05193	1.8
175.03922	6.0
177.01886	1.9
177.05481	1.2
178.99789	7.8
180.04187	6.1
181.04962	18.3
187.03856	1.8
187.07617	1.1
189.05498	4.4
190.06250	7.9
195.06551	72.1
196.06824	3.5
205.05048	2.2
205.08646	1.4
206.05634	1.2
214.94774	1.1
221.08055	1.3
243.02899	1.3
255.02936	6.8
256.03415	1.5
266.05850	1.5
271.02502	7.0
272.02908	1.5
282.05228	1.8
284.03156	2.7
285.04025	9.8
289.07281	1.2
297.06070	14.0
299.02014	1.7
300.02740	18.1
301.03494	45.3
301.06915	2.2
302.03848	4.6
309.07898	1.4
315.08340	2.0
329.10306	3.5
340.13098	1.0
342.11041	2.0
356.12753	2.4
357.09634	5.2
357.13409	11.3
369.13315	2.2
372.12119	2.4
373.12619	2.7
386.13412	2.9
387.14444	58.1
388.14801	5.7
431.09631	2.0
447.09262	10.9
448.09637	2.7
449.09830	1.3
505.18582	4.7
506.18710	1.2
535.19684	72.5
536.20032	10.8
553.20618	2.6
565.20697	3.0
581.09418	2.4
583.21796	42.1
584.22125	8.6
599.10364	39.1
600.10632	7.0
745.16083	13.8
746.16302	2.4
758.83661	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.8
59.26028	1.2
76.85081	1.0
78.95773	18.9
80.02573	1.7
81.03334	1.7
83.04894	8.3
84.02029	2.0
97.06497	1.0
104.99407	1.1
113.17515	1.2
152.99495	1.1
163.11156	6.7
165.12766	4.5
168.04201	5.0
191.10649	1.5
209.11774	100.0
210.12100	5.9
224.06860	3.6
227.12846	28.6
259.15424	1.4
259.40857	1.1
277.21698	44.1
278.21967	2.8
466.21786	1.3
502.29349	4.6
593.04413	1.3
712.42065	7.1
713.42365	1.4
744.44678	30.8
745.43854	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	745.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22069	1.3
57.03311	8.6
69.03328	1.4
69.57279	11.5
71.31609	1.2
72.99197	1.7
73.24725	1.2
75.17871	1.3
81.03317	1.8
83.01269	6.0
93.03329	2.2
95.01254	3.2
95.04933	1.9
97.02851	3.5
98.20552	1.8
99.00745	3.4
108.02097	2.4
108.98455	1.6
109.02840	16.2
111.00744	16.2
119.04927	1.7
121.02837	5.0
123.00764	9.9
123.04350	7.5
124.01540	2.5
125.02333	100.0
126.02687	4.7
133.02885	4.3
135.04424	6.1
137.02342	26.1
139.00259	20.7
139.03928	3.2
140.00989	2.0
141.01852	8.2
141.02812	1.7
145.02852	5.3
147.04384	2.9
148.01605	1.6
149.02347	11.4
151.00272	4.5
151.03918	13.8
153.01828	5.7
154.02184	1.7
159.04443	6.4
161.02350	27.9
161.05988	3.6
162.03091	2.3
163.00253	5.1
163.03908	5.5
164.01047	4.2
165.01816	8.2
166.99763	21.6
167.03377	2.5
169.01338	20.6
171.04446	1.6
174.03294	1.7
175.03886	11.6
176.01089	2.1
177.01840	27.5
178.02312	1.9
179.03419	4.1
182.99271	4.1
183.04552	1.9
183.99974	2.1
185.00861	14.6
185.06032	4.0
187.03922	6.3
188.04634	1.7
189.01877	3.0
189.05461	1.7
191.03392	3.0
193.01382	3.0
199.03918	3.9
201.01884	2.8
201.05524	4.5
203.03476	3.2
203.07098	5.5
205.01401	2.2
205.04874	4.1
213.05452	3.1
215.03456	2.8
215.07014	1.7
217.05029	6.2
219.06529	2.7
225.05344	2.0
227.03439	6.3
227.07072	3.6
229.05112	3.5
231.02917	1.7
241.05075	2.1
243.02904	7.7
243.06656	2.0
244.03343	2.4
245.04472	4.6
245.08183	4.8
253.05090	3.1
255.02893	8.6
256.03662	4.5
257.04413	4.4
259.02411	3.4
261.03830	2.9
267.03107	1.9
269.04462	5.6
271.02463	4.6
271.06097	16.3
272.02878	2.5
273.03986	3.8
281.04645	6.4
283.02600	2.8
283.05643	1.6
285.04025	12.6
286.04529	2.6
287.05612	12.0
289.07202	33.6
290.07431	2.1
297.04016	1.7
299.05661	3.5
301.03433	1.7
301.07007	1.9
303.04971	9.1
304.05292	2.3
305.06592	14.7
306.06662	1.7
327.05090	1.9
339.08972	2.4
389.06598	6.4
405.06033	5.5
407.07693	39.6
408.07977	5.0
423.07147	30.0
424.07764	5.0
425.08740	3.7
431.07620	2.3
433.09244	4.1
441.08209	12.4
447.06909	1.6
449.08740	5.0
451.10190	4.0
457.07767	7.2
467.09708	6.1
557.10645	3.0
559.11963	4.8
575.11395	6.3
577.12750	1.6
593.12854	7.8
745.14569	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	744.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74823	0.6
59.01249	1.5
61.98697	2.5
78.95771	16.6
83.04893	2.8
88.41735	0.6
98.19744	1.1
152.99518	1.6
154.32108	0.6
163.11140	1.8
165.12712	0.8
168.04224	5.1
177.04866	0.6
209.11766	32.5
210.12151	1.4
216.07526	0.6
221.72601	0.6
224.06888	2.1
227.12848	7.1
235.90968	0.7
277.21707	100.0
278.22012	7.6
354.03384	0.6
434.19550	1.3
452.20950	1.0
466.21967	1.0
484.22943	2.5
572.14117	0.7
712.41815	6.0
713.42615	1.5
744.44550	24.7
745.45148	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	743.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	12.1
61.98709	3.1
69.72973	1.1
71.01250	3.5
71.14048	2.8
71.70382	1.1
78.95779	3.5
81.54370	1.0
81.72813	1.4
89.02309	2.3
89.22990	1.3
101.02333	2.7
113.02303	1.7
133.04926	1.4
133.51723	1.3
141.01646	1.8
171.10179	100.0
172.10539	3.4
195.13841	4.4
209.11815	7.5
210.12039	4.3
211.13376	14.4
212.47079	1.3
223.13359	2.8
235.08195	4.3
253.09271	11.7
275.20038	6.4
277.21735	1.8
292.10123	1.3
293.21210	44.1
293.24457	2.2
294.21564	3.4
295.22672	6.0
296.23065	4.1
297.23318	1.6
311.22141	1.4
346.81433	1.3
357.50571	1.4
407.19107	4.3
436.20792	1.3
641.68768	1.3
711.38782	1.6
744.44080	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	743.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80386	22.8
59.19845	27.4
71.19071	60.7
78.95766	86.2
95.27459	22.1
125.51775	27.0
152.99489	62.8
189.28877	29.8
211.13277	79.3
255.23233	54.2
277.21695	76.3
279.23178	100.0
281.25082	27.3
491.49634	30.3
507.27344	85.7
743.47852	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06482	0.6
59.01245	1.0
63.02259	1.3
63.27756	0.6
65.00186	2.7
69.03300	0.9
69.36591	3.2
69.37023	2.8
71.01250	1.7
78.95778	0.8
83.01256	1.5
85.02855	1.0
87.04411	1.5
93.03363	0.8
95.01252	1.0
98.20607	1.2
107.01283	5.3
109.02831	2.0
115.03856	0.9
117.03373	0.7
119.05013	0.6
121.02857	4.7
123.00758	3.0
124.01514	0.6
125.02330	11.9
131.04878	0.7
137.02354	0.8
143.03410	3.1
145.02861	1.6
148.01685	0.8
149.02357	1.0
151.00262	23.2
154.50668	0.6
163.00278	2.2
163.03926	1.1
164.00955	0.9
165.05466	1.0
166.02615	0.7
166.99786	2.0
169.01326	15.7
171.10147	2.0
175.03915	1.3
177.01942	0.6
178.99788	11.4
189.01990	0.7
191.49516	0.7
195.06592	0.7
201.11249	1.5
203.03401	1.0
209.11783	3.7
211.04050	1.3
225.11351	0.9
227.03433	1.9
227.12781	0.9
229.04965	1.0
233.04478	1.5
237.03969	1.7
239.03340	0.9
239.05565	1.4
243.02948	4.7
245.04514	1.8
254.02228	1.3
255.02962	18.5
256.03430	1.2
257.04742	1.0
271.02469	31.3
272.02927	3.7
273.03979	1.8
283.02441	1.4
295.04559	6.2
299.01868	3.2
300.02731	68.3
301.03510	84.8
302.03922	5.1
304.57419	0.7
389.55396	0.7
445.07941	0.9
447.09293	100.0
448.09579	10.5
573.13013	0.7
579.16162	0.7
591.13745	0.8
597.08832	14.8
597.17377	1.3
598.09131	2.7
599.10461	0.7
725.32184	0.7
743.14740	6.6
743.46014	0.8
744.15125	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60569	0.6
58.00204	0.6
58.00473	0.9
59.01245	5.3
62.95895	0.5
69.03304	0.5
71.01250	5.2
71.19940	1.2
72.99149	0.9
73.02818	1.3
78.95736	0.9
80.02506	0.7
81.03323	1.1
83.04901	3.4
84.02048	0.8
85.02830	1.1
87.00732	1.4
89.02324	2.6
94.96239	0.5
95.04935	0.6
101.02314	3.4
113.02330	3.2
121.09129	0.6
125.09567	1.1
127.11162	2.0
135.08067	0.7
152.99475	1.0
155.10635	1.1
161.04427	2.1
163.11194	3.3
165.09174	0.8
165.12729	1.1
171.10161	4.1
172.10503	1.5
185.11752	0.8
191.10680	0.7
197.35663	0.5
199.09654	1.0
201.11243	42.1
202.11578	2.4
207.10158	0.9
209.11752	88.7
210.12077	5.2
211.13286	2.6
212.13751	0.6
225.11224	1.8
227.12827	10.0
228.13251	1.0
235.08188	6.5
253.09235	13.7
254.09685	1.0
277.21692	100.0
278.22015	10.1
279.22388	0.9
291.20044	0.8
293.21030	1.0
295.22876	1.0
295.42532	0.7
382.25580	0.5
419.19373	0.6
437.20010	1.0
445.20532	0.7
461.32901	0.7
487.91742	0.6
495.72809	0.5
505.25821	0.7
741.42511	0.7
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
53.51446	0.2
55.01760	0.2
57.01027	0.2
57.03319	0.3
58.00469	0.5
59.01250	3.6
65.69510	0.2
69.03329	0.9
71.01249	3.7
73.02824	0.8
81.03304	0.2
83.01260	0.5
83.04887	0.5
85.02827	0.9
87.00738	0.7
89.02313	2.5
92.06099	0.2
95.01267	0.5
97.02833	1.0
97.06493	0.3
99.00761	0.2
101.02313	2.9
109.06414	0.3
111.00782	0.3
111.08032	5.4
113.02313	1.9
119.03391	0.7
125.09653	0.3
127.07508	0.3
137.09616	0.5
143.03374	0.3
145.05013	0.3
151.11189	0.4
153.12737	0.8
161.04474	1.7
163.11214	0.3
165.12779	1.1
167.10669	0.4
167.14287	1.0
169.12263	2.0
171.10187	0.8
179.05479	0.6
181.12283	0.9
183.13824	6.7
184.14156	0.3
185.11702	0.7
186.12172	0.2
193.12245	2.1
193.15829	0.2
195.13802	0.8
197.11754	27.7
198.12080	1.2
199.13324	3.2
200.13853	0.2
200.43436	0.2
207.10233	0.2
209.11757	2.9
211.13322	100.0
212.13666	4.4
212.15614	0.4
218.71368	0.2
223.13368	0.6
227.12842	4.5
235.08206	3.7
247.20694	0.5
253.09259	13.3
254.09550	0.4
263.20074	1.4
265.18164	0.7
273.18567	0.8
275.20184	0.2
291.19650	16.8
292.19946	1.3
293.21188	5.5
294.21539	0.5
309.20688	41.8
310.21085	2.8
366.96576	0.2
433.20792	0.7
447.22232	3.8
448.22620	0.3
463.21744	0.7
485.32852	0.3
503.33813	0.7
527.28632	0.6
545.29663	1.4
739.42590	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.9
55.39931	1.2
57.03312	1.6
59.01247	12.1
70.61967	2.9
71.01252	11.1
71.04878	3.4
73.02811	2.8
78.95764	6.8
81.75163	1.1
83.01261	1.2
83.04863	1.5
85.02827	3.5
87.00761	1.8
89.02305	3.3
95.04884	1.1
97.02812	3.5
97.06461	2.7
99.00754	12.7
101.02317	6.3
109.06462	2.1
111.08038	1.3
113.02330	3.0
113.18274	1.2
123.08050	1.8
125.09619	8.2
145.04971	1.1
147.06497	0.9
152.99471	3.1
153.12660	1.1
160.28459	1.1
161.04465	1.7
161.09618	1.5
163.11201	7.9
169.12050	1.1
171.10175	23.3
172.10626	0.9
181.12263	13.1
182.12628	1.1
185.11691	1.5
187.59787	0.9
195.13763	2.7
197.11755	3.1
197.78770	0.9
199.11490	1.1
199.13329	16.9
201.11206	5.0
207.10187	31.1
208.10475	1.5
209.11723	3.9
211.13322	8.5
225.11256	58.1
226.11575	2.8
227.12871	6.1
233.22594	1.0
235.08217	5.8
243.12314	7.5
253.09267	9.6
275.20230	1.7
277.21710	100.0
278.22162	7.8
291.19724	6.7
293.21207	14.5
309.20779	2.0
443.19284	4.4
461.20230	8.8
479.20871	1.1
721.41461	7.3
739.42633	92.8
740.43097	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	740.4925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.0
60.01591	0.4
61.01682	0.4
61.98699	100.0
69.49769	0.1
71.01276	0.1
71.07362	0.3
81.03325	1.4
82.03672	0.4
83.04892	4.0
84.05212	1.2
96.95857	0.2
119.79543	0.2
125.02319	0.7
125.07115	0.2
126.05518	0.2
129.16405	0.1
137.02383	0.2
163.03830	0.2
169.01302	0.6
224.17664	0.4
225.16052	1.7
225.18016	0.3
226.16347	1.7
227.16644	0.6
228.17009	0.2
244.19456	0.2
284.15619	0.2
289.07236	0.2
447.09189	0.2
451.33386	0.2
452.33118	0.8
453.33530	1.3
454.33606	0.6
596.45215	0.2
662.49915	0.3
677.49677	0.6
678.50000	3.4
679.50232	12.5
680.50513	20.1
681.50635	0.9
740.49207	1.2
741.49615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	2.2
62.68028	1.2
65.23174	1.5
69.25682	1.2
71.38162	1.8
71.38509	2.4
79.91836	1.1
83.04896	1.9
180.39488	1.5
209.11765	100.0
210.12106	6.8
223.21715	1.2
223.80167	1.4
227.12840	25.4
235.08163	2.6
253.09193	4.4
328.88266	1.3
445.20871	7.6
446.21039	1.5
741.34497	19.9
742.35022	4.2
746.83057	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	741.382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65265	4.2
54.76407	3.9
57.03326	5.8
59.01249	24.8
63.44735	4.0
64.20266	4.1
69.03331	4.4
71.01253	21.7
73.02835	6.6
78.95779	7.5
83.01278	4.4
85.02814	6.3
86.11605	4.5
89.02310	7.6
94.53194	3.9
96.95885	7.7
97.06496	4.0
98.19757	9.1
101.02322	15.6
111.08065	4.7
113.02328	10.1
114.36669	4.0
123.15934	4.3
143.41811	3.8
143.82898	4.5
151.11179	12.0
169.12238	79.4
171.10123	22.0
183.13806	6.3
185.11784	20.8
195.13777	4.7
197.11772	36.5
198.12103	5.8
199.13313	11.1
208.83769	4.0
209.11740	18.5
210.12099	8.3
211.13376	69.2
212.13661	18.5
213.11278	20.5
213.13918	4.4
223.13272	6.9
227.12895	8.1
228.13184	6.1
235.08209	8.3
253.09317	20.6
254.09547	5.0
291.19638	26.4
293.21036	8.4
294.21542	5.2
309.20749	29.7
310.20996	6.9
311.21716	6.2
369.88254	5.5
447.22336	8.5
505.35068	6.9
527.82300	4.3
641.35315	5.9
723.39014	6.1
741.40717	100.0
742.40753	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	741.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.0
59.01247	6.4
59.01511	1.2
61.98714	1.1
69.03304	1.3
71.01246	6.5
71.56905	1.0
73.02826	1.1
78.95805	1.4
81.03318	0.9
83.01250	1.5
83.04890	1.4
85.02803	2.3
87.00741	1.8
89.02325	4.5
90.32882	0.7
94.96386	0.7
95.04919	1.5
96.95896	1.0
97.02811	1.4
97.06455	5.5
101.02317	6.3
109.06508	0.8
111.08047	3.2
113.02329	4.0
119.03375	0.8
125.09605	2.1
136.63377	0.7
137.09590	0.8
149.09692	0.9
151.11186	19.4
161.04507	1.9
163.11087	0.9
165.12686	1.5
169.12253	95.2
170.12628	4.1
171.10158	3.3
181.12180	1.1
183.13770	1.6
185.11713	2.2
195.10141	1.2
197.11766	18.1
198.12120	1.1
199.13321	2.1
200.13570	0.9
209.11780	5.5
210.12051	2.0
211.13344	12.3
212.13678	4.3
213.11263	12.1
223.13255	1.2
227.12920	4.2
228.13162	1.6
235.08206	2.4
247.20529	1.2
253.09309	6.5
254.09564	0.9
273.18527	0.8
291.19653	8.1
292.19809	1.0
293.21082	3.2
294.21524	2.8
295.22626	1.3
301.45700	0.8
309.20648	11.4
310.21100	2.8
311.21695	2.1
390.07840	0.9
431.19193	3.7
431.62045	0.8
447.22104	0.8
449.20178	5.5
626.41302	0.9
741.40637	100.0
742.41040	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01735	0.2
57.03318	0.5
58.00473	0.3
59.01248	4.9
69.03329	0.6
69.23243	2.1
70.48389	0.2
71.01250	4.1
72.99184	0.3
73.02819	0.8
81.03346	0.4
83.01275	0.4
83.04900	0.8
85.02832	0.9
87.00751	0.6
89.02310	2.5
95.01276	0.3
96.82490	0.2
97.02827	1.3
97.06461	0.4
98.19778	0.4
99.00735	0.4
101.02315	3.6
109.06476	0.3
111.08037	4.0
113.02344	1.9
113.09562	0.2
119.03395	0.6
119.08524	0.3
125.02338	0.3
125.09607	0.5
127.07489	0.4
131.03439	0.2
137.09619	0.6
143.03436	0.4
145.05008	0.4
151.11188	0.6
153.12781	0.5
161.04424	1.6
163.11235	0.5
165.12778	1.6
167.10689	0.7
167.14311	0.8
169.12256	2.1
171.10172	1.4
179.05510	0.6
179.10799	0.3
181.12248	0.9
183.13828	7.0
184.14244	0.2
185.11786	1.0
193.12238	2.0
195.13837	0.7
197.11760	19.3
198.12125	0.9
199.13310	3.0
207.10257	0.5
209.11778	4.8
210.12146	1.0
211.13330	100.0
212.13647	4.4
213.14871	0.5
223.13327	0.5
225.11395	0.2
227.12849	4.2
228.13194	0.4
235.08185	3.2
237.14963	0.3
247.20616	0.9
253.09251	12.8
254.09445	0.4
263.20090	1.1
265.18094	0.5
273.18539	0.9
275.20053	0.4
282.21442	0.2
289.18073	0.4
291.19647	18.3
292.20035	1.7
293.21213	5.1
294.21594	0.4
309.20691	41.4
310.21054	2.6
361.90634	0.2
433.20679	0.5
445.20697	0.2
447.22272	3.9
463.21991	0.4
503.33801	1.0
527.28461	0.6
545.29865	1.2
647.22070	0.2
739.41583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.4
57.03315	0.5
59.01249	5.5
61.98696	0.3
64.22208	0.3
66.35507	0.3
69.03326	0.3
71.01261	4.2
72.99162	0.6
73.02817	0.6
73.58957	0.3
73.92626	0.3
80.02544	1.1
81.03326	1.2
83.01266	0.6
83.04901	4.6
84.02039	1.2
85.02814	1.1
87.00748	0.8
89.02322	2.7
95.01260	0.4
95.04912	0.8
96.95882	0.6
101.02327	3.5
106.52603	0.3
109.06463	0.4
111.08049	0.7
113.02298	2.1
119.03374	0.7
121.10146	0.8
125.02388	0.4
125.05978	0.7
125.09582	0.5
135.08084	0.6
140.07829	0.3
143.03387	0.5
145.04901	0.4
154.43045	0.3
161.04417	1.6
163.11185	3.4
165.12770	2.6
167.10640	0.5
169.12248	0.8
171.10196	2.6
179.05525	0.5
179.14340	0.7
181.12265	0.8
183.13808	1.4
185.11771	0.6
191.10670	1.1
195.13828	5.6
196.14343	0.5
197.11748	1.8
198.40402	0.3
199.13277	1.7
205.12306	0.4
205.15843	0.5
209.11766	100.0
210.12102	4.9
211.13335	14.1
212.13739	1.0
223.13338	4.6
227.12839	13.2
228.13385	1.1
231.21127	0.5
235.08232	2.6
253.09253	16.8
254.09683	0.4
256.13162	1.1
275.20135	8.7
276.20364	0.4
291.19647	2.8
292.20117	0.3
293.21216	74.0
294.21579	5.8
309.20679	4.3
310.20874	0.5
445.20740	1.1
463.21231	0.3
485.33014	0.4
503.33490	0.8
529.30334	0.4
586.35156	0.3
739.41302	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.7
59.01243	5.7
61.98690	0.6
69.03304	0.5
70.62524	0.9
71.01242	4.3
73.02808	0.9
79.58389	0.3
80.02545	1.1
81.03311	1.2
83.01241	0.5
83.04885	3.5
84.02043	0.6
84.75629	0.3
85.02813	0.8
87.00727	0.8
89.02311	3.4
95.04903	0.8
97.02858	0.3
101.02318	4.7
107.04921	0.4
109.06449	0.6
111.08048	1.8
113.02334	2.1
119.03383	0.8
125.05957	0.7
125.09591	0.4
143.03368	0.5
161.04486	2.3
163.11197	3.6
165.12744	2.2
167.14313	0.4
169.12247	1.1
171.10149	2.2
179.05551	0.4
179.14362	0.9
181.12192	1.2
183.13803	2.1
185.11786	0.7
191.10677	1.2
193.12289	0.5
194.66002	0.3
195.13837	5.3
197.11755	5.4
199.13393	1.6
205.12259	0.8
209.11757	100.0
210.12096	5.3
210.13939	0.5
211.13319	35.1
212.13646	1.7
223.13353	4.4
227.12822	13.0
228.13300	1.4
235.08157	3.6
235.16907	0.4
247.20644	0.4
251.16571	0.4
253.09241	19.9
254.09528	0.6
256.13223	0.9
265.21927	0.4
275.20145	6.9
277.75302	0.4
291.19650	5.7
293.21204	74.1
294.21454	5.8
309.20685	13.3
310.20953	1.0
445.20657	1.1
447.22153	1.0
463.21536	0.6
463.55524	0.3
503.33682	0.5
513.60175	0.4
525.40564	0.4
529.29999	0.7
571.72681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13090	0.2
56.44543	0.2
59.01239	0.8
61.98694	0.9
67.19481	0.2
71.01270	1.0
71.20992	0.4
78.95776	4.5
79.95602	2.9
80.85526	0.2
80.91566	0.2
80.96408	0.3
82.95953	0.2
83.04891	0.3
85.02869	0.2
89.02303	0.4
90.28902	0.2
96.95885	100.0
96.96776	5.4
97.95833	0.3
101.02293	0.3
113.02346	0.2
125.02320	0.6
131.72969	0.2
148.05083	0.2
154.89871	0.2
183.13884	0.3
185.11705	0.3
197.11792	0.8
209.11769	3.3
210.12141	0.8
211.13345	4.2
212.13734	0.3
219.09933	0.2
227.03322	0.2
227.12833	0.5
233.11682	0.3
235.08336	0.4
253.09254	0.8
255.02971	0.2
265.07611	0.2
267.09079	1.0
291.03967	0.4
291.19565	1.1
292.20053	0.9
293.21106	0.8
309.10205	1.0
309.20721	0.9
311.08249	0.2
371.78781	0.2
461.22260	0.6
467.15866	0.5
485.16986	2.1
503.34048	0.3
739.32953	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	738.355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37771	0.1
55.01760	0.1
57.03309	0.2
58.00465	0.1
58.69840	0.1
59.01245	1.9
60.01581	0.2
61.01691	0.1
61.98698	100.0
62.98400	0.1
67.80685	0.1
69.03355	0.1
71.01244	1.8
71.04907	0.1
72.01582	0.3
72.17136	0.1
72.99188	0.2
73.02813	0.3
80.85751	0.1
82.95280	0.4
83.01290	0.2
83.04866	0.3
85.02828	0.3
87.00773	0.3
89.02310	1.3
91.02772	0.2
93.03352	0.2
95.00522	0.1
95.01226	0.1
95.04917	0.1
97.02824	0.4
101.02319	1.1
102.02657	0.2
103.02784	0.1
109.06465	0.3
113.02306	0.6
119.03425	0.3
123.00779	0.1
125.02357	0.4
143.03401	0.1
161.04501	0.3
163.11221	0.2
171.10262	0.2
179.05563	0.3
183.13956	0.3
193.12221	0.1
195.13896	0.2
197.11758	0.2
199.13315	0.2
207.10219	0.3
209.11765	2.4
210.12189	0.2
211.13324	3.8
212.13666	0.8
223.13367	0.1
225.11295	0.3
226.11697	0.1
227.12831	1.3
235.08186	0.7
236.08601	0.3
253.09239	1.0
254.09566	0.2
263.07211	0.1
275.20236	0.4
277.21716	1.3
278.22064	1.5
279.22324	1.0
280.22650	0.3
287.07742	0.1
289.18079	1.6
289.21063	0.2
290.18317	0.9
291.19672	0.5
292.20032	0.1
293.21204	1.5
294.21527	0.2
299.01959	0.1
307.19016	0.2
309.20737	0.3
363.58414	0.1
378.52802	0.1
397.13345	0.8
398.13928	1.2
399.13956	2.0
400.14233	0.9
415.14645	0.3
416.15070	0.5
417.15195	0.9
418.15427	0.3
634.22113	0.1
640.51508	0.1
739.29926	0.3
739.42902	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02834	0.2
59.01250	18.6
70.35300	0.2
70.35651	0.6
71.66163	0.2
81.03328	5.8
83.04892	17.3
84.05215	0.3
98.62064	0.2
100.07584	0.4
107.06017	0.4
107.06694	0.2
108.04421	0.5
117.45589	0.2
125.07128	1.2
126.05477	0.5
143.08142	0.3
151.77887	0.2
157.13377	0.2
159.98085	0.2
195.12993	0.2
207.14999	1.5
222.16132	0.2
224.17651	2.8
225.16031	16.8
226.16315	0.6
242.18683	0.9
268.16479	0.3
275.58878	0.2
281.60428	0.2
290.22324	0.3
309.21677	1.0
324.26392	0.6
333.22812	1.0
339.27618	0.2
341.29330	1.1
342.29547	0.2
350.24597	0.2
351.24182	0.4
367.27124	1.7
385.28033	0.4
407.33890	0.4
433.32022	1.5
450.34436	1.9
451.32886	11.1
452.33157	1.2
468.35464	0.2
476.32053	0.2
550.43341	1.4
559.39862	0.7
565.44397	0.6
566.45874	0.2
567.45789	0.2
593.43579	0.7
659.48615	2.5
660.49097	0.5
677.49664	100.0
678.49982	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	737.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17400	0.4
57.03313	1.6
59.01245	10.4
59.92551	0.5
61.98683	1.4
69.03336	0.7
71.01250	7.2
71.04884	0.9
72.99159	0.8
73.02815	1.3
80.02552	0.8
81.03333	2.1
83.01246	1.2
83.04884	4.8
85.02814	2.1
87.00752	1.3
89.02311	3.5
95.01247	0.6
95.04898	1.3
97.02834	2.4
97.06444	0.6
99.00727	1.0
101.02316	5.8
107.04913	0.7
109.06463	9.9
110.42153	0.5
111.08045	7.8
113.02309	2.8
113.09654	0.5
119.03361	1.2
119.31602	0.5
121.06475	1.0
123.04391	0.9
124.51213	0.5
125.09599	0.9
135.08046	1.9
137.09608	0.8
142.02589	1.0
145.04929	1.0
161.04500	2.5
161.09628	0.8
163.11194	10.8
164.11447	0.6
165.12767	2.2
167.10675	1.2
169.12212	0.5
171.10167	2.5
177.12762	1.9
179.05472	0.6
179.10707	1.7
179.14340	1.4
181.12273	2.2
189.09142	1.2
191.10692	1.5
195.13841	8.4
196.24844	0.5
197.11778	2.5
199.13309	0.7
201.11320	0.5
207.10190	35.7
208.10509	2.0
209.11758	95.3
210.12074	4.2
211.13324	5.4
212.13673	0.6
223.13387	3.3
225.11267	12.9
226.11566	0.6
227.12820	14.5
228.13356	0.6
235.08209	5.5
247.20688	2.8
253.09247	19.7
263.20023	0.9
273.18671	1.8
275.20111	4.8
289.18082	1.1
291.19647	100.0
292.20007	6.7
293.21204	41.9
294.21625	3.1
309.20807	2.5
314.52820	0.6
329.21249	0.8
443.19244	2.0
445.20657	1.5
461.20096	4.0
462.20560	0.7
483.31424	0.7
501.32446	0.8
509.27658	0.7
527.28723	6.6
719.40277	1.9
737.41113	14.8
738.41760	2.9
759.01898	0.6
769.25275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53694	0.2
57.03321	0.9
57.32106	0.2
58.00466	0.4
59.01251	6.1
59.27712	0.3
61.98700	11.8
62.98408	0.2
63.74034	0.3
69.03320	0.9
71.01249	5.1
71.01610	0.4
71.04884	1.2
71.12454	0.6
72.01568	0.3
72.99182	0.4
73.02825	0.6
81.03314	0.9
82.95290	2.9
83.01260	0.8
83.02364	0.6
83.04907	1.4
85.02813	1.4
85.99971	0.3
87.00723	1.2
89.02314	3.4
93.03347	0.3
95.01244	0.5
95.04897	1.2
97.02827	0.7
97.06444	0.7
98.03629	0.3
99.00777	0.3
101.02320	4.5
104.43049	0.3
106.04114	0.5
107.04871	0.3
108.86462	0.2
109.02839	0.3
109.06470	5.7
111.00723	0.3
111.04386	1.5
111.08033	1.4
113.02316	2.7
119.03374	0.9
120.05668	0.2
121.06456	0.5
121.10102	0.3
123.04432	0.6
123.08047	0.8
125.02284	0.6
127.07529	0.9
135.08076	0.4
137.09627	0.6
139.19968	0.3
143.03386	0.4
143.10664	0.6
145.04932	0.4
145.06497	1.1
149.02376	0.2
149.09579	0.7
151.11163	0.6
161.04436	1.9
163.11171	1.3
165.12759	0.5
167.10629	1.4
167.14189	0.6
171.10147	0.5
177.12738	0.4
179.05544	1.2
179.10707	0.7
181.12244	0.9
183.13821	7.0
185.11736	0.7
189.09157	0.4
191.14275	0.5
193.12251	2.1
195.13837	2.6
196.14148	0.3
197.11673	0.8
199.13330	0.6
205.12193	0.3
207.10141	2.0
208.10612	0.3
209.11755	4.0
210.12039	0.3
211.13329	100.0
212.13661	5.6
223.13322	0.7
225.11273	9.6
226.11546	0.6
227.12814	1.2
235.08168	4.3
235.13333	0.7
236.08328	0.4
237.14886	1.2
245.19060	3.0
246.19237	0.3
251.16583	0.5
253.09233	10.3
254.09717	0.5
263.16519	1.1
263.20209	0.4
270.56540	0.3
271.16971	0.9
273.15042	0.4
275.20087	0.4
277.21680	0.6
281.17648	0.4
287.16470	1.1
289.18082	68.8
290.18427	5.8
291.19632	3.2
292.20013	0.5
293.21210	4.8
294.21667	0.6
307.19135	4.6
308.19449	0.3
309.20697	1.1
381.28122	0.6
398.13849	0.3
425.26917	2.0
426.27328	0.3
429.21356	0.5
443.18948	0.7
443.28085	1.1
445.20807	0.3
447.22327	3.1
448.22580	0.6
461.20224	1.8
462.20850	0.4
463.21814	0.3
465.29843	0.5
474.53876	0.3
483.31055	2.4
501.32373	1.4
507.25797	0.5
525.27130	1.9
526.27533	0.4
543.27704	0.3
661.35992	1.8
662.35919	0.5
710.95941	0.3
719.39728	1.7
720.40613	0.6
737.40796	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	737.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86205	1.1
57.03323	1.6
58.00467	1.4
59.01245	10.7
61.98690	3.8
65.77188	0.9
69.03326	2.1
70.43536	3.3
71.01260	9.2
71.04887	1.0
72.99179	2.1
75.00748	9.0
78.95768	6.0
83.01256	1.9
83.04903	2.8
85.02824	9.1
87.00751	3.8
89.02307	2.8
94.62273	1.0
95.01257	1.9
96.78823	1.1
97.02801	1.6
99.00729	5.1
100.46169	1.0
101.02327	4.9
101.85059	1.1
103.78686	1.0
109.06424	2.0
111.04404	1.4
113.02329	9.9
125.06039	1.1
125.09585	2.5
151.11157	1.3
152.99486	3.7
158.64061	1.0
161.09561	1.6
163.11194	2.0
169.12274	8.0
171.10178	3.7
175.02213	1.5
179.10696	3.6
195.76962	1.1
197.11755	27.7
198.12038	1.7
207.10185	1.7
209.11769	12.4
211.13300	7.4
221.11736	1.4
223.09700	4.4
227.12859	1.8
235.08131	1.4
241.10815	1.1
253.09232	4.0
277.21707	56.4
278.22015	6.1
291.19623	1.2
293.21179	3.9
307.19034	1.4
527.28436	1.5
719.40582	2.9
737.41113	100.0
738.41394	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	737.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.1
57.39404	0.3
58.00455	0.4
59.01249	7.1
61.98689	1.6
68.99682	0.4
69.03321	3.3
71.01246	6.9
71.04885	2.0
71.19875	0.8
72.99189	0.8
73.02827	1.3
75.00737	1.0
78.95773	0.8
80.30701	0.4
83.01257	0.8
83.04884	0.8
85.02813	2.5
85.65402	0.4
87.00747	1.3
89.02309	3.2
89.78369	0.3
93.23319	0.4
95.01264	0.9
97.02799	0.6
97.06474	1.3
99.00744	1.1
101.02314	4.0
109.06490	0.7
111.04406	0.7
113.02319	3.1
119.03393	0.8
123.08040	1.3
125.09569	2.0
129.51154	0.3
133.06490	0.4
134.83806	0.4
137.09637	0.4
137.12125	0.3
143.03358	0.5
149.09500	0.5
151.11147	2.3
152.99478	0.8
153.12724	1.9
161.04449	1.0
161.09621	3.3
162.09889	0.3
163.11209	0.6
169.12219	2.1
171.10161	1.0
179.05591	0.3
179.10670	7.6
188.80542	0.3
195.10240	0.6
197.11746	92.5
198.12112	5.0
205.08597	1.3
207.10172	1.1
209.11763	3.1
211.13361	0.7
221.11900	0.4
223.09740	3.8
225.11237	0.5
227.12794	0.8
235.08177	0.7
241.10802	4.2
253.09212	3.8
277.21695	35.1
278.22064	3.6
291.19513	0.6
293.21198	1.0
315.14236	0.4
433.20889	0.5
459.18524	1.2
477.19867	3.1
719.40228	1.1
737.41101	100.0
738.41412	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	4.2
61.98700	18.9
70.93208	1.3
70.93539	1.3
71.01249	3.8
72.99179	0.9
75.00741	1.4
78.95765	1.0
79.95595	1.4
80.96390	2.1
81.03318	1.3
83.04883	4.3
84.02052	1.3
85.02826	1.3
87.00764	2.2
89.02307	1.5
96.95890	2.2
99.00756	1.5
101.02316	1.9
109.06512	1.0
113.02318	2.5
125.02311	1.7
126.89405	1.1
163.11209	3.4
165.12730	2.9
169.12245	1.4
171.10170	2.0
171.41217	0.9
199.13300	1.0
209.11760	100.0
210.12154	6.8
211.13248	1.5
225.11327	1.0
227.12810	13.2
228.13191	1.2
234.32768	0.9
235.08206	1.3
253.09132	5.7
259.15161	1.0
283.02518	1.8
330.67822	1.0
343.91718	1.0
445.20685	2.9
687.32062	2.0
719.34436	2.7
737.30817	4.0
738.31683	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	8.7
61.81285	6.0
61.98699	77.5
70.63462	17.1
71.01247	10.3
80.96392	25.1
94.97930	10.1
96.95871	12.2
100.36698	6.2
106.97879	6.0
123.98130	5.3
125.02422	6.6
144.42575	7.2
163.11287	7.9
169.45273	7.4
171.10217	8.9
193.56175	6.7
197.11769	21.7
209.11737	100.0
211.13333	27.1
214.05255	7.0
223.13301	62.4
227.12825	23.1
235.08168	7.6
253.09271	10.2
272.68396	6.0
291.19754	20.1
309.20721	10.7
374.71780	7.1
449.98056	7.6
459.22186	10.5
521.76678	6.1
526.53210	7.8
581.13470	6.6
651.33960	12.3
737.34406	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.0
60.86267	0.5
61.98695	5.2
63.96109	0.5
65.84795	0.4
71.01248	3.2
71.57573	0.5
71.57955	0.4
73.02821	0.8
78.95775	4.9
78.98447	2.0
79.95603	7.2
80.96387	19.7
85.02831	1.2
87.00753	1.3
87.71512	0.4
94.97956	4.6
96.95885	100.0
96.96775	5.5
97.02813	0.8
97.95834	0.5
101.02314	1.1
113.02293	0.4
122.97438	1.0
125.02299	2.0
134.97455	1.3
148.99011	2.1
152.98491	1.4
164.98546	3.7
183.13863	2.2
197.11777	1.8
198.12105	0.4
206.99593	0.9
209.11745	3.9
210.12057	0.9
211.13480	2.4
223.13419	0.4
225.00681	6.5
225.11160	0.5
227.12796	0.5
253.09149	0.6
336.74191	0.4
422.53937	0.5
441.19666	0.6
459.20560	0.5
509.17050	0.6
673.32336	0.6
705.35559	0.7
719.29938	0.8
720.28247	0.5
737.30322	19.6
738.30176	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	737.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.6
61.98693	3.3
63.96090	1.5
69.03301	0.9
70.89795	0.7
70.90128	1.1
71.01250	9.5
72.99191	0.9
73.02808	1.6
73.94132	0.6
78.98458	7.5
79.95597	13.5
80.96387	79.4
81.03315	1.1
83.04875	0.6
85.02811	3.0
87.00752	3.5
89.02296	0.7
90.28268	0.6
94.48147	0.6
94.97958	19.4
94.98566	1.0
95.01260	0.7
96.95873	2.9
97.02834	2.0
99.00772	1.2
101.02309	3.4
106.97976	4.4
111.13354	0.6
113.02309	1.3
122.97480	4.9
125.02322	5.3
127.03926	1.1
134.97455	5.7
136.99020	1.6
137.02284	0.7
139.17296	0.6
143.03407	0.7
145.02870	1.2
146.90634	0.7
148.99025	7.8
152.98520	8.0
163.11124	0.7
164.98538	18.3
169.12251	1.2
171.10135	4.1
172.61472	0.6
191.10626	0.6
197.11763	2.6
201.11113	0.7
206.99594	4.5
209.11745	10.7
211.07349	0.6
225.00684	31.0
227.12885	1.3
297.56454	0.6
300.02625	0.7
414.33264	0.7
445.31543	0.7
509.16986	5.0
529.78741	0.7
583.46649	0.7
726.60217	0.6
737.30548	100.0
738.30853	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	736.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.1
59.13848	0.1
59.29550	0.1
61.82063	0.1
61.98698	100.0
62.98396	0.2
69.60120	0.1
70.91963	0.2
71.01251	0.3
73.40929	0.1
78.95779	0.1
80.96381	0.1
84.67346	0.1
85.75031	0.1
96.95927	0.1
99.00761	0.2
125.02385	0.1
144.62083	0.1
169.01390	0.1
171.10144	0.2
197.11789	0.2
207.10101	0.1
209.11711	0.7
210.12209	0.2
225.11269	0.2
249.06696	0.1
320.33618	0.1
509.78674	0.1
710.54321	0.1
736.36841	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	735.431
Annotation	Nonactin
Peak:m/z	Relative Intensity
57.22700	2.3
59.01243	11.9
61.98677	4.5
64.03999	1.9
65.95232	2.3
71.01264	15.7
71.55569	3.1
71.55909	2.3
73.02824	2.4
78.95776	4.4
83.04910	4.1
88.33002	2.1
89.02304	4.6
101.02305	5.2
113.02290	4.2
152.99477	5.4
157.89229	2.1
171.10193	8.1
177.12755	13.9
187.76938	2.3
195.13838	100.0
196.14183	2.7
209.11714	2.8
221.11758	12.1
235.08243	4.1
239.12827	14.2
253.09244	8.2
255.23308	16.5
277.21710	51.2
278.22165	3.4
281.24902	2.5
344.33765	2.5
409.09906	2.3
457.20847	2.8
475.21915	11.5
496.56259	2.7
499.19678	4.0
530.65747	2.5
626.81006	2.5
672.91614	2.5
678.50354	2.7
702.69025	2.5
735.43335	74.5
736.43817	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	735.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.3
57.03315	0.7
58.00480	0.3
59.01246	6.4
69.03323	1.6
71.01249	4.0
71.01611	0.4
71.04881	0.7
72.99184	0.4
73.02828	0.8
81.03338	0.3
83.01276	0.3
83.04884	0.4
85.02828	1.0
85.06460	0.6
87.00743	0.6
89.02308	2.6
93.03305	0.4
95.01259	0.3
95.04896	0.5
97.06468	0.4
101.02312	3.4
109.06459	0.6
110.03643	0.2
111.08037	0.6
113.02314	2.3
119.03373	0.8
121.10098	0.3
125.09592	0.3
125.38891	0.2
135.11632	0.4
141.09113	0.4
145.05019	0.5
147.69087	0.2
149.09618	0.5
161.04433	1.9
161.13309	0.4
167.10680	3.1
171.10159	0.3
177.12753	0.6
179.05536	0.6
179.10683	1.4
179.14302	3.8
187.11221	0.3
195.13824	15.1
196.14297	1.4
205.12262	10.7
205.15955	0.2
206.12599	0.7
211.13315	0.3
217.27202	0.2
223.13326	100.0
224.13666	6.9
225.14848	0.9
228.13637	0.4
231.21086	0.4
235.08165	3.5
253.09241	17.0
254.09503	0.7
256.13046	0.6
265.21643	0.5
275.20148	4.7
276.20410	0.4
293.21191	79.4
294.21515	6.8
294.24207	0.1
357.93347	0.2
441.21268	0.6
459.22324	11.3
460.22528	1.1
492.21811	0.3
499.34378	0.5
500.34528	0.3
529.30072	1.3
581.89465	0.2
666.35455	0.3
698.34827	0.2
735.42969	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08617	0.2
57.03320	0.6
58.34219	0.2
59.01244	5.4
59.20834	0.2
60.81803	0.2
69.03324	1.9
69.46386	0.2
71.01242	3.6
71.04884	0.8
72.99194	0.3
73.02808	0.7
78.95747	0.2
83.01254	0.4
83.04890	0.5
85.02807	1.0
85.06458	0.6
87.00744	0.9
89.02304	2.7
95.04898	0.5
97.02812	0.2
97.06474	0.2
98.19736	0.4
98.89767	0.2
99.00758	0.2
101.02312	3.5
101.02917	0.4
101.65105	0.2
103.88323	0.2
108.05682	0.2
109.06467	0.7
111.08050	0.7
112.78814	0.2
113.02319	2.0
113.09575	0.4
119.03384	0.8
125.02358	0.2
125.09615	0.5
131.03357	0.3
133.77341	0.2
141.09123	0.4
143.03413	0.3
149.09648	0.6
161.03159	0.3
161.04419	2.0
161.13264	0.3
167.10670	2.9
168.10904	0.2
171.10158	0.6
177.12726	0.8
177.16461	0.2
179.05522	0.7
179.10722	1.1
179.14313	4.0
183.13785	0.6
193.12234	0.2
195.13817	17.0
196.14281	1.2
205.12251	9.5
205.15350	0.4
206.12608	0.6
209.11671	0.3
211.13321	0.8
223.13326	100.0
224.13666	6.0
225.14880	0.8
228.13620	0.4
231.21045	0.4
235.08159	3.6
239.12851	0.3
249.39613	0.2
253.09230	17.3
254.09540	0.6
256.13202	0.9
265.08777	0.2
265.21622	0.3
275.20139	5.9
276.20404	0.6
293.21191	85.1
294.21518	8.2
334.45999	0.2
412.54459	0.2
441.21133	0.6
441.62054	0.2
459.22311	8.5
460.22470	0.9
472.74646	0.2
492.22122	0.3
499.34195	0.5
529.30328	1.2
580.92285	0.2
698.35095	0.4
735.43201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	6.6
59.01240	2.3
60.05550	0.9
69.30659	2.4
69.31071	6.9
72.99154	2.8
73.38176	0.9
80.65745	1.2
83.01250	1.5
96.95886	1.0
104.90533	0.9
109.02842	2.6
121.02829	2.9
123.04350	1.6
125.02330	49.3
126.02677	1.2
132.02052	3.9
133.02840	2.7
137.02330	1.4
148.01537	6.0
149.02350	4.3
150.03117	1.7
151.00266	5.3
151.03899	1.2
155.04955	1.0
160.01549	6.6
161.02338	16.6
161.22650	1.1
163.00240	2.5
164.01056	1.6
165.01880	1.5
165.05438	1.1
174.03130	1.4
175.03838	1.3
175.07536	1.7
175.23302	1.1
177.01913	1.5
178.99771	1.7
187.03952	1.7
199.03923	12.1
201.01871	1.6
201.05489	1.4
205.08687	1.4
211.03946	1.2
214.02782	1.3
217.08612	1.3
225.01945	2.1
226.02678	1.6
227.03471	3.1
229.08679	1.5
230.02020	1.1
239.03438	1.3
243.02940	90.1
244.03293	6.8
245.04506	5.7
251.03520	1.6
254.02193	1.4
255.02960	6.8
267.02951	1.8
269.00909	7.0
269.04639	1.9
271.02457	19.4
272.02988	1.6
282.01572	1.6
283.02463	10.2
284.02985	1.3
287.05566	5.1
295.02402	1.4
299.01978	3.3
300.02728	23.2
301.03461	25.0
302.03662	1.7
311.01944	1.5
312.02597	1.6
339.07169	2.4
340.01892	1.1
347.05502	1.4
367.10330	10.4
392.05182	3.3
393.06223	2.2
445.05646	1.5
447.09265	47.2
448.09656	5.1
455.73251	1.0
462.05756	1.6
463.06644	2.2
583.10907	100.0
584.11304	15.2
609.12347	17.2
610.12866	1.6
696.31201	1.2
697.97791	1.1
735.15515	16.9
736.15894	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	733.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.7
57.03326	4.0
59.01245	17.9
61.98679	1.0
66.99561	0.8
68.13420	0.8
71.00884	1.6
71.01250	19.1
71.11620	1.9
72.99168	7.1
73.02806	1.8
74.53262	0.7
74.62721	0.7
75.00741	21.2
81.03334	1.0
83.01266	1.8
83.04895	1.5
84.02016	0.9
85.02821	22.9
85.03345	1.5
87.00737	8.0
89.02307	3.1
95.01262	6.6
99.00753	12.9
101.02308	1.2
103.00233	1.6
108.42035	0.9
113.02322	20.4
115.00265	2.0
117.01804	2.4
125.09611	2.6
127.11188	1.2
129.01811	1.9
133.78658	0.8
157.01355	1.1
163.11195	1.7
165.09138	1.0
171.10149	1.8
175.02390	3.5
183.82993	0.8
199.09517	1.0
201.11250	19.0
202.11589	1.0
205.07208	1.3
209.11755	22.7
227.12830	1.9
249.06046	2.3
255.23248	90.6
256.23636	7.3
371.95792	0.8
393.49103	0.9
505.30649	1.7
669.06030	0.9
689.41089	13.2
690.41278	2.0
704.41125	0.9
715.29755	1.9
715.42670	58.1
716.43152	11.1
733.43701	100.0
734.43976	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	733.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44247	0.4
57.03318	1.4
59.01252	6.5
59.06158	0.5
59.12048	0.4
69.03334	2.2
69.48488	2.1
69.48902	1.2
71.01259	3.8
71.04895	0.9
73.02814	0.9
78.95783	0.9
81.03307	0.5
83.04852	0.6
85.02825	0.8
85.06446	0.5
87.00771	0.6
89.02317	3.4
95.04911	1.1
101.02332	3.3
109.06469	0.9
111.08035	9.3
113.02352	1.5
113.09589	0.6
119.03375	0.9
125.09603	0.5
137.09612	0.6
141.09009	0.4
145.04773	0.6
149.09601	1.4
150.45268	0.5
154.23520	0.4
156.74391	0.6
159.11700	0.5
161.04453	1.3
167.10695	4.6
177.12770	3.0
179.10672	3.1
179.14307	3.3
180.14597	0.6
195.12039	0.8
195.13831	14.7
198.43826	0.5
205.12276	9.7
223.13341	84.4
224.13687	4.2
235.08182	4.1
237.14952	1.1
247.20532	2.2
253.09261	10.0
255.23308	0.5
273.18680	1.7
277.18039	0.8
291.19647	100.0
292.19995	6.2
373.65170	0.5
435.32584	0.6
441.21576	0.9
459.22369	7.8
460.22858	0.7
479.31720	0.6
497.32867	1.4
509.27579	1.3
527.28589	7.2
528.29004	0.9
715.40906	0.8
733.41718	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	733.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40217	0.1
53.68798	0.2
59.01247	8.2
61.98711	0.2
69.03303	0.3
71.01251	1.4
71.04812	0.3
71.05157	0.3
73.02819	0.2
83.21308	0.2
85.02835	0.4
87.00742	0.2
89.02327	0.9
95.01253	0.2
101.02309	1.1
107.72639	0.2
113.02317	0.8
119.03357	0.2
126.06137	0.2
129.01877	0.2
143.03418	0.2
155.10687	0.3
161.04483	0.6
165.12794	0.2
167.10631	0.2
167.14331	0.4
179.05501	0.2
179.44278	0.2
183.13818	5.9
184.14189	0.3
193.12280	1.6
207.10298	0.2
211.13332	100.0
211.38818	0.2
212.13675	6.1
235.08168	1.5
253.09259	3.8
292.80301	0.2
294.09467	0.2
387.25327	0.3
405.26285	0.3
429.21426	1.5
447.22339	9.6
448.22577	1.2
597.32935	0.3
623.34259	2.0
624.34973	0.2
641.35419	1.4
642.36292	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15953	1.6
53.81452	1.6
54.54105	1.4
59.01238	2.6
61.98692	2.8
71.01244	3.0
78.63074	1.6
83.04891	5.1
85.02815	2.0
87.66213	1.5
89.02294	2.8
96.95860	1.9
98.20613	2.6
98.99757	1.6
101.02289	3.0
108.87110	1.5
113.02296	2.4
125.02288	3.1
163.11197	4.9
169.01312	1.9
171.10243	3.7
197.11702	3.4
209.11766	100.0
210.12086	6.4
211.13396	1.6
227.12848	16.4
243.10106	1.6
253.09154	4.5
269.07260	2.1
612.22174	2.0
701.30353	2.7
733.33728	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	733.365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.3
63.51785	1.5
71.01229	4.0
71.13666	4.3
78.95742	2.0
83.04892	3.1
85.02855	1.6
89.02319	3.8
94.04152	1.6
96.95927	2.0
101.02327	1.9
125.02312	3.1
139.03685	1.7
163.11185	3.2
165.12766	3.0
169.01392	1.9
171.10136	4.3
176.16557	1.9
199.13289	5.6
206.58331	1.8
209.11768	100.0
210.12132	5.8
211.13252	2.1
227.12880	21.5
246.11946	1.6
246.84164	1.7
247.13243	2.0
249.11002	2.3
253.09184	6.5
269.07352	2.7
287.08524	2.6
313.04697	2.4
445.20721	1.6
453.19720	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	44.7
61.98689	6.9
65.03828	2.5
68.69612	2.0
70.58644	7.1
71.01251	60.7
72.65358	2.1
78.91754	33.3
78.95782	10.5
81.03280	2.6
83.04893	4.8
89.02315	6.0
97.02828	3.6
99.00753	3.1
101.02307	7.3
109.06462	18.6
111.08046	4.2
113.02303	4.4
134.71992	2.3
144.94995	2.5
152.99484	2.8
163.11218	10.8
165.12733	3.8
171.10144	9.9
179.10629	3.2
181.12236	5.2
183.13795	8.0
185.11716	4.4
189.09172	2.3
199.13243	4.0
201.11243	6.0
207.10190	42.7
209.11745	31.8
210.12079	3.3
211.13321	100.0
212.13760	4.6
221.11732	3.9
223.13242	11.1
225.11240	32.8
227.12849	17.5
235.08174	6.3
253.09291	12.4
290.99988	2.9
291.19690	13.2
293.21173	8.1
294.21475	6.5
295.22690	2.9
373.23758	3.8
383.22232	4.0
401.23343	8.9
419.24365	3.8
428.86261	2.3
461.20221	8.2
527.28162	2.4
577.70813	2.5
637.32166	7.0
653.19391	2.6
655.33185	14.6
656.33887	4.8
673.34650	2.7
733.41492	11.8
734.40729	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	732.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87399	0.1
52.02071	0.1
59.01244	0.5
61.98700	100.0
62.98414	0.2
66.71208	0.2
70.86799	0.3
70.87131	0.2
71.01241	0.3
72.99197	0.4
75.00743	0.4
76.32215	0.2
88.98684	0.4
96.95895	0.3
101.02328	0.2
108.39249	0.1
125.02370	0.4
129.66270	0.1
135.77948	0.2
137.62669	0.2
159.16490	0.2
171.10222	0.8
183.13846	0.2
185.11769	0.4
195.14044	0.1
209.11826	1.3
210.12152	0.3
211.13377	1.4
221.59427	0.2
223.13310	1.0
224.13684	0.4
240.35947	0.2
253.09378	0.3
275.18143	0.2
298.75037	0.2
341.23404	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13394	1.9
56.31316	2.2
57.03311	2.1
59.01249	2.2
62.14839	2.0
63.02263	5.8
65.00185	11.4
71.58469	2.2
83.01263	7.2
93.03305	13.8
100.79381	2.1
107.01271	20.4
108.43557	2.3
117.03387	2.6
119.40459	1.9
121.02835	2.9
124.01572	2.5
125.02305	11.0
135.00780	2.4
135.04395	4.5
140.83302	2.0
151.00264	52.2
152.01079	13.8
153.01877	2.9
158.78833	2.3
159.04454	2.0
161.02322	4.0
163.00262	6.6
167.96207	2.1
169.01331	9.3
178.99768	29.5
183.04434	2.9
187.03862	2.9
201.05540	3.5
206.99319	22.5
208.00060	9.0
211.04044	2.4
215.03447	2.9
227.03421	6.2
228.03853	2.1
229.04962	5.5
245.04510	43.3
246.04854	3.1
255.02911	14.6
257.04495	6.1
273.04056	64.7
283.02432	13.6
284.03195	10.6
285.04141	10.4
300.02835	4.4
301.03528	100.0
302.03845	9.7
342.51541	2.2
431.09692	8.6
432.10516	2.5
447.09308	9.1
461.05011	2.3
689.44226	2.3
708.26294	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	731.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12455	0.7
54.75526	0.7
55.62339	0.7
57.03314	1.4
59.01249	6.5
59.73679	0.7
61.98694	1.7
69.03333	1.8
71.01241	4.1
78.95772	10.2
81.03323	0.9
81.47614	0.7
83.04896	1.9
85.02846	1.1
87.00755	1.2
88.98668	4.8
89.02338	3.3
101.02329	2.6
108.53127	0.8
109.02850	1.0
113.02323	1.5
113.09608	1.4
123.04417	1.2
125.02354	5.4
137.02328	1.6
151.03911	1.7
152.04356	1.0
152.99484	1.4
161.04443	2.0
163.11215	1.0
165.12729	1.1
167.10672	2.7
168.04260	2.3
171.10124	1.3
177.12781	1.0
179.05556	1.0
179.10631	1.0
179.14378	3.1
183.13821	5.0
193.12231	1.6
195.13818	13.2
196.14165	2.5
205.12285	7.4
209.11763	14.1
210.12117	5.6
211.13330	100.0
212.13750	5.5
212.47270	0.8
223.13341	79.9
224.13669	5.0
227.12842	2.7
228.13135	1.2
229.37207	0.8
235.08153	4.4
253.09273	6.4
277.21667	5.9
278.22079	4.1
289.07150	3.3
293.21292	1.3
295.22778	31.5
296.23141	22.7
297.23413	1.6
350.48111	0.8
399.25534	1.4
417.26614	1.7
429.21072	1.5
441.21155	3.2
447.22372	10.4
452.20355	1.5
459.22360	15.4
460.22421	1.3
483.83817	0.9
609.31842	0.9
635.34521	5.1
653.35370	6.8
654.35822	1.1
730.42694	2.5
731.43262	24.1
732.43256	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	731.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	18.3
60.08530	0.8
61.98711	4.9
62.39150	0.9
62.46719	0.7
65.43734	0.7
69.03310	2.8
70.07615	0.7
71.01247	3.6
71.56958	1.0
78.95770	2.0
80.96395	1.4
82.96836	0.7
85.02813	0.9
87.00750	1.1
89.02313	2.3
90.14852	0.7
101.02348	2.4
113.02312	1.1
125.02307	1.0
125.09613	0.8
141.09123	1.0
151.03960	1.3
153.12743	1.5
153.88730	0.9
161.04422	1.5
167.10654	2.2
169.12233	6.0
171.10161	2.2
179.10657	1.4
179.14307	2.2
195.13792	6.1
197.11751	100.0
198.12015	4.5
205.12268	6.3
209.11746	6.8
211.13307	10.1
223.13329	64.3
224.13687	3.6
227.12862	1.0
228.13170	0.9
235.08202	4.8
253.09285	7.5
268.34644	0.7
293.21408	1.4
385.23727	0.9
403.24646	1.4
415.20013	1.0
433.20709	9.9
441.21255	2.4
445.20917	0.9
447.22162	1.2
459.22269	8.3
621.32727	3.6
639.33795	4.9
640.34705	0.8
664.45111	1.0
731.32635	3.2
732.41437	0.9
744.30719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.3
59.01250	13.0
61.98703	37.0
62.37661	1.4
69.03329	2.8
71.01249	6.9
71.56604	2.8
72.99188	1.9
75.00744	4.9
78.95786	2.3
83.04902	1.8
87.00768	2.0
88.98678	12.9
89.02319	5.7
94.23711	1.4
95.01260	1.6
95.74970	1.3
96.04698	1.4
96.95887	3.4
101.02322	5.9
109.06496	1.7
113.02322	5.5
125.02292	2.7
125.09564	1.9
130.37065	1.5
131.54668	1.4
132.35849	1.3
167.10687	3.0
171.10176	34.0
172.10490	1.9
179.10641	2.1
179.14363	3.7
183.13782	5.2
185.11739	64.5
186.12109	3.0
193.12328	3.0
195.13835	11.7
197.11740	6.3
201.11232	7.2
205.12257	10.3
207.10117	2.3
209.11729	7.2
211.13330	93.5
212.13678	4.7
223.13330	100.0
224.13588	6.8
235.08221	7.0
247.09192	1.6
253.09236	18.2
311.22232	3.3
328.72635	1.5
341.23209	15.0
342.23672	2.1
417.26123	1.6
421.20642	3.0
441.21146	3.4
447.22522	9.9
459.22501	11.5
627.33649	4.9
635.34174	3.4
653.35229	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	731.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.8
63.02264	2.1
69.03324	1.6
71.01237	2.2
71.58701	1.3
72.99167	0.8
78.65556	0.7
83.01243	3.2
85.02815	3.8
95.01245	1.0
96.95881	2.0
97.02841	1.4
107.01261	12.7
109.02814	1.2
111.00784	2.0
113.02316	2.8
121.02847	8.2
123.00748	7.8
124.01567	2.6
125.02333	32.1
126.02602	1.0
136.98676	1.0
137.02324	1.0
139.00241	2.3
140.01060	1.8
141.01859	0.8
148.01575	1.2
149.02313	1.4
151.00262	41.3
152.00536	0.9
161.02313	0.8
163.00275	1.8
163.03926	0.9
164.00941	1.2
166.99644	0.9
167.83147	0.8
168.00548	4.5
169.01326	36.1
170.01686	0.9
175.03911	1.1
178.99771	16.8
179.03389	1.5
193.01334	1.2
211.04030	1.0
223.02354	1.7
229.05078	1.4
239.03328	1.0
243.02844	3.6
245.04588	1.8
254.02109	1.0
255.02927	10.8
271.02463	22.2
272.02942	1.5
273.03986	1.3
282.03958	0.8
283.04602	58.5
284.05002	3.5
299.01920	2.5
300.02716	48.6
301.03491	100.0
302.03842	6.7
315.07178	0.9
394.91605	0.8
429.10455	2.9
433.07825	3.2
447.09299	53.1
448.09604	6.0
585.08789	72.8
586.09235	8.9
599.10541	1.6
731.14441	21.0
732.14752	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	729.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64605	1.3
53.67574	1.2
57.03328	2.0
59.01253	7.6
60.03351	1.0
69.03308	2.0
70.78793	1.1
71.01263	6.7
71.06051	2.8
72.77359	1.2
73.02832	1.4
80.02524	1.3
83.04881	5.7
85.02827	1.6
87.00758	2.2
89.02315	5.3
101.02320	4.3
109.06398	1.5
111.08013	2.3
113.02348	1.4
114.66091	1.1
125.09594	2.1
127.11169	1.4
161.04482	1.9
163.11159	3.6
165.12782	2.3
167.10667	3.5
171.10135	2.9
179.05449	1.6
179.14264	2.9
195.13882	9.7
197.11804	6.2
199.13342	2.1
201.11238	34.4
202.11487	2.8
205.12234	7.9
209.11755	99.0
210.12143	4.7
211.13362	3.1
223.13339	100.0
224.13670	4.2
227.12790	17.7
228.13138	1.5
235.08185	4.8
251.69431	1.2
253.09262	17.0
260.89313	1.2
291.19510	3.9
309.20715	14.5
373.84122	1.4
393.92593	1.5
445.20798	1.5
459.22427	13.3
633.33099	2.4
651.33435	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	729.1457
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
57.03323	12.4
65.62779	0.9
81.03342	1.9
83.01249	5.8
93.03339	2.5
95.04934	1.0
97.02840	3.3
98.20557	1.7
107.01321	1.3
107.04890	1.3
109.02832	17.3
114.16148	0.8
116.82483	0.8
117.03319	1.0
118.40337	0.8
118.56753	0.8
121.02849	3.0
123.00772	2.8
123.04401	10.8
125.02333	100.0
126.02688	1.9
131.04938	1.9
133.02864	5.0
135.04422	3.5
137.02336	20.6
139.03938	2.0
145.02875	5.1
146.03629	1.2
147.04417	2.4
149.02347	4.1
150.03169	1.3
151.03909	13.9
159.04440	6.3
161.02345	22.9
161.05986	5.6
162.03067	1.9
163.00308	1.6
163.03900	4.1
164.01054	3.2
165.01833	4.5
166.99725	1.0
169.01321	25.2
174.03032	1.0
175.03935	11.5
176.01099	1.2
177.01855	11.2
177.05443	1.1
179.03458	5.2
183.04497	1.7
185.05988	3.1
187.03958	7.1
188.04628	2.7
189.01837	1.0
193.01332	2.0
197.06013	0.8
199.03908	3.7
200.04466	0.9
201.01857	1.1
201.05508	3.0
203.03439	1.9
203.07062	8.1
205.01404	1.3
205.04967	5.5
211.03951	2.2
213.05513	2.3
217.05038	3.0
219.02924	1.2
220.08119	1.0
221.08072	1.7
225.05504	1.6
227.03473	3.9
227.07094	2.8
228.04164	2.0
229.05052	3.0
229.36533	0.9
237.05466	1.2
241.05042	1.9
243.02966	9.4
245.04523	8.6
245.08174	10.6
247.06075	1.1
253.05093	3.9
255.02950	12.9
256.03699	6.6
257.04517	3.6
265.05130	1.9
269.04654	4.4
271.06091	9.9
273.04034	2.3
281.04559	2.7
283.02509	3.0
285.03989	6.3
287.05637	6.7
289.07181	53.3
290.07535	3.9
297.04037	3.1
299.05594	2.7
303.05127	4.4
339.08713	2.5
363.08743	2.3
381.09607	3.4
389.06778	7.6
407.07697	99.0
408.08041	11.8
425.08737	5.9
433.09283	4.7
440.55817	1.0
441.08264	10.7
451.10260	18.1
452.10568	1.7
541.11218	1.7
559.09631	6.2
577.13794	7.0
603.11768	3.0
729.14539	6.4
730.15082	1.8
751.01886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1459
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
57.03322	11.7
69.03320	1.1
77.41963	0.6
78.86794	0.6
81.03329	2.0
83.01249	5.5
89.03857	0.8
93.03302	1.2
95.01257	1.0
95.04912	0.9
97.02823	3.2
97.79800	0.5
108.02071	1.0
109.02827	15.5
111.00733	0.8
121.02842	2.2
123.00768	1.5
123.04398	9.5
124.01546	0.8
125.02329	100.0
126.02670	3.6
131.04919	1.0
133.02831	4.6
135.04407	3.8
137.02335	18.1
138.02751	0.7
139.03911	2.1
143.04924	0.6
145.02855	5.4
146.03612	1.1
147.04443	1.1
149.02338	4.1
150.03076	0.9
151.03909	10.5
157.06395	0.6
159.04431	5.3
161.02347	20.0
161.05951	4.5
162.03006	2.2
163.00273	2.5
163.03952	3.1
164.01047	3.6
165.01871	3.4
167.03398	1.1
169.01329	22.5
169.36220	0.6
170.01665	0.9
173.05988	0.9
174.03195	0.7
175.03911	10.1
175.07536	1.3
176.00945	1.0
177.01848	9.9
177.05527	0.9
179.03470	4.2
183.04468	0.7
185.06003	3.4
187.03935	6.2
188.04672	1.6
193.01338	2.9
199.03929	2.0
199.07637	1.1
201.01918	1.0
201.05508	2.7
203.03418	2.1
203.07053	8.4
205.01401	1.6
205.04977	6.3
209.05977	1.8
211.03967	2.3
213.05492	1.5
214.02702	0.6
215.03409	0.7
217.04964	3.5
219.02893	1.9
221.08163	1.7
225.05563	1.8
227.03477	2.8
227.07121	2.1
228.04219	1.6
229.04935	3.4
230.05659	0.9
241.05046	1.2
243.02950	8.2
243.06572	0.8
244.03438	0.6
245.04492	5.6
245.08144	10.6
253.05011	2.7
255.02939	11.1
256.03711	5.6
257.04483	2.7
269.04596	4.6
271.06107	10.3
273.04102	1.7
281.04590	2.9
283.02603	2.6
284.03333	1.1
285.04013	4.6
286.04462	1.0
287.05630	6.2
289.07172	48.5
290.07428	4.1
297.03955	1.8
297.07462	0.8
299.05643	2.3
303.05118	2.4
304.05435	0.9
321.07736	1.1
329.06567	0.8
339.08670	2.4
363.08774	1.3
381.09781	1.7
389.06595	6.4
390.07047	0.8
407.07669	68.5
408.08066	8.6
409.09027	0.9
425.08679	5.6
426.09055	1.0
433.09030	4.6
441.08203	10.7
442.08673	1.9
451.10315	14.1
452.10773	0.8
559.12659	4.0
577.13824	6.2
603.11609	1.9
729.14526	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	728.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93014	0.1
54.06025	0.1
56.76711	0.1
59.01248	0.9
60.01595	0.1
61.98699	100.0
63.06362	0.1
66.90517	0.1
68.59943	0.1
69.03335	0.2
69.87196	0.1
71.01260	0.3
75.00759	0.1
78.95784	0.3
79.80191	0.1
89.02347	0.2
91.68938	0.1
94.76305	0.1
98.20540	0.3
121.61362	0.1
168.11072	0.1
180.14659	0.1
195.13876	0.5
196.14223	0.3
197.11775	0.5
197.14409	0.1
198.03127	0.1
198.12128	0.4
199.12262	0.2
205.12344	0.3
206.12694	0.2
207.13040	0.1
209.11838	0.3
211.13361	0.2
223.13344	3.9
223.85091	0.1
224.13687	3.1
225.13927	1.4
226.14253	0.3
253.09174	0.2
254.09578	0.1
260.26312	0.1
264.41379	0.1
293.21191	0.1
309.20663	0.2
368.35104	0.1
460.22934	0.2
461.22995	0.5
462.23245	0.4
650.35931	0.1
711.03235	0.1
728.42212	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77053	0.3
59.01247	21.0
71.01239	2.3
71.96249	0.4
73.02838	0.4
78.87693	0.4
87.00791	0.7
89.02319	1.7
95.01242	0.5
98.20623	0.8
100.44516	0.3
101.02303	2.5
113.02304	1.4
118.99760	0.4
123.19460	0.4
125.09648	0.8
127.11156	1.3
138.05067	0.4
152.99472	0.5
161.04491	0.7
171.10167	90.6
172.10536	3.8
179.05496	0.4
209.11707	2.9
210.12039	1.0
235.08162	3.3
253.09250	8.8
254.09642	0.5
255.23196	0.8
275.19965	0.4
277.21698	100.0
278.22046	8.5
279.23270	1.5
280.23563	1.9
281.24591	1.5
295.18765	0.4
301.36249	0.4
407.19302	0.8
513.30664	1.2
589.57642	0.4
686.60193	0.4
727.40552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71319	0.3
57.05056	0.3
59.01247	15.8
71.01233	1.4
71.69184	0.3
72.29141	0.3
83.01208	0.3
85.02840	0.5
87.00755	0.4
89.02325	1.0
98.86906	0.3
101.02316	1.4
113.02336	0.7
119.03392	0.4
125.09602	0.8
127.11153	1.5
161.04456	0.8
171.10173	100.0
172.10526	3.8
179.05502	0.4
209.11722	0.3
229.53366	0.4
235.08223	2.0
253.09222	6.5
254.09692	0.3
255.23297	0.3
277.21704	50.5
278.22089	3.9
405.84790	0.3
407.19327	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59720	1.7
57.03314	1.9
59.01246	17.0
69.03333	3.3
70.60147	3.5
70.60552	3.0
71.01266	5.1
71.04895	2.4
72.65115	1.5
73.02819	2.5
77.69275	1.5
77.70542	1.6
78.95800	1.7
81.03352	1.4
82.95255	1.6
83.01293	1.8
83.04902	1.9
85.02827	3.7
87.00726	2.1
88.98666	1.8
89.02328	4.4
96.95902	6.6
97.02833	7.7
97.06490	2.4
99.00755	11.6
101.02338	5.0
109.06487	3.9
113.02283	3.0
115.09892	1.6
125.02306	2.3
125.09583	3.2
127.11185	1.7
137.09633	2.3
142.02647	2.5
155.11832	1.5
161.04478	1.7
163.11234	9.5
167.10670	2.2
171.10178	4.8
178.88455	1.7
179.10736	3.2
179.14346	3.1
181.12271	17.7
182.12692	1.6
185.11752	2.8
195.13838	10.3
197.11763	6.8
198.58400	1.7
199.09726	13.1
201.11229	17.0
205.12244	8.7
207.10207	50.7
208.10608	1.8
209.11613	3.3
209.16631	1.6
211.13348	6.3
223.13341	93.7
224.13660	4.1
225.11256	100.0
226.11603	7.6
227.12698	1.7
235.08177	3.6
243.12360	11.0
253.06825	2.3
253.09253	11.6
289.17859	3.8
291.19519	2.0
307.19055	3.0
309.20703	7.0
310.20776	2.2
310.88507	1.6
349.46872	1.5
431.24521	1.9
435.18719	2.5
443.19107	3.6
459.22488	3.8
461.20322	34.1
461.26978	2.0
462.20728	5.3
502.24905	1.7
597.29071	2.6
623.31036	2.3
644.08105	1.7
649.32208	4.7
667.33331	31.7
668.33649	5.2
727.38171	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	727.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	8.9
59.01250	36.9
67.01746	2.5
68.99684	2.8
69.03322	9.2
69.90616	9.8
71.01247	18.9
72.99179	5.6
73.02824	14.5
78.95760	2.5
81.03317	6.0
83.01263	7.9
83.04887	3.0
85.02823	76.3
86.03161	2.6
87.00748	100.0
88.01054	2.4
92.21330	2.3
93.03340	7.7
95.01266	24.9
96.96828	3.0
97.02824	34.9
99.00717	5.0
99.04408	8.8
101.02324	2.6
103.03900	12.0
109.02817	14.3
109.94767	2.4
111.00743	13.9
113.02317	30.2
113.71682	2.5
115.00266	11.2
118.84677	2.4
121.02864	3.2
125.02294	3.9
127.03883	18.4
129.01758	3.3
139.00258	17.4
145.04959	8.0
155.03381	5.2
157.01318	9.7
165.05438	3.8
169.04890	3.6
171.03020	2.6
173.04417	4.0
175.02393	50.9
199.02391	40.7
217.03453	19.0
255.05099	8.8
275.49838	2.6
303.07159	16.8
321.08200	7.0
345.08112	10.8
387.09302	17.0
405.10187	5.3
521.11578	9.7
563.11908	4.2
623.14667	8.4
667.17542	5.7
709.18463	12.5
710.18530	2.8
727.19812	16.8
728.19000	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	727.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	5.0
59.01251	2.8
71.01222	2.3
71.58127	2.0
72.99178	24.4
73.08946	1.2
75.00723	2.0
79.01679	1.0
85.07990	1.1
87.00752	2.4
93.03339	11.4
93.31069	1.1
96.95882	11.0
99.00736	1.9
99.02468	0.9
103.00305	1.7
103.84468	0.9
107.04889	8.7
116.92724	5.9
117.03345	15.7
119.03421	1.0
119.04903	16.2
121.02775	1.7
125.02320	1.9
131.04848	2.2
133.02824	2.7
135.04407	4.1
145.02846	100.0
146.03174	4.9
147.04408	5.7
149.05989	6.6
151.00226	1.5
163.03905	20.5
165.05476	92.9
166.05836	4.6
175.03893	1.7
179.03447	9.9
179.05026	1.3
181.04944	2.4
193.04973	16.5
209.04448	6.1
210.06752	3.9
211.07585	53.2
212.07906	3.5
219.02907	4.5
223.07576	17.1
224.07945	1.5
237.04022	6.4
255.05067	65.9
256.05417	3.5
265.08847	3.0
288.56281	1.2
301.03442	2.1
309.07693	3.7
311.09247	14.2
325.09137	3.7
401.08746	2.6
417.10248	1.9
431.14807	2.3
447.09570	5.0
475.13397	1.1
510.68954	1.2
529.11115	2.2
547.12769	1.7
565.13538	20.7
566.13538	3.3
727.18518	21.4
728.19080	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	727.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38647	0.5
52.64391	0.5
59.01241	2.1
63.02268	3.4
65.00186	2.6
67.01734	0.7
68.99683	1.5
69.40580	2.5
69.41002	3.6
78.95770	0.9
79.01749	0.8
83.01254	3.8
85.02821	2.0
87.00735	0.5
87.04390	4.6
89.02328	0.8
93.03313	1.5
95.01256	3.6
96.95910	4.7
97.02840	1.4
107.01267	8.1
109.02829	0.8
111.00754	1.9
115.03876	2.6
123.00780	10.2
123.04422	0.9
124.01591	1.5
125.02336	20.0
132.02057	0.8
135.00688	1.0
136.98715	1.0
137.02327	0.9
139.00279	2.3
140.01033	2.6
141.01776	1.2
143.03380	8.1
145.02835	1.8
151.00267	15.3
151.03827	0.7
153.01825	0.7
157.06418	0.7
159.04388	1.0
163.00237	2.2
163.03964	1.1
164.01015	1.3
165.01845	0.7
166.99715	3.1
168.00572	3.4
169.01329	21.6
169.31599	0.7
175.04047	0.9
185.05852	1.5
187.03960	1.6
197.05981	1.0
201.11247	4.6
207.02971	0.8
209.09872	1.1
209.11771	17.1
211.03944	1.4
213.05475	2.8
227.03403	6.4
227.12933	4.3
228.03886	0.7
229.05016	9.2
235.08206	0.8
237.03934	2.2
239.03465	1.5
241.05005	1.8
253.09224	1.5
255.02966	19.1
256.03506	2.0
257.04504	12.2
267.02872	1.0
277.03479	0.7
283.02414	2.3
284.03253	25.9
285.04016	100.0
286.04395	7.2
295.04581	4.1
326.73636	0.8
353.06628	1.2
411.07452	0.8
429.08188	1.0
431.09802	28.3
432.10098	2.4
437.04984	1.3
445.20700	2.1
453.28030	0.7
504.34000	1.4
537.48486	0.6
581.09308	60.9
582.09564	7.7
583.10809	1.1
673.33997	0.9
727.14917	11.2
727.33093	4.1
728.15643	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	726.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79337	0.6
53.71634	0.6
53.82771	0.5
57.03312	0.6
59.01252	2.8
61.98672	1.0
62.75061	0.5
65.90371	0.5
66.69810	0.5
71.01247	2.4
71.04900	0.5
71.58528	0.9
76.01322	0.5
78.95776	13.3
80.02551	2.0
81.03326	2.4
83.04900	7.8
84.02022	1.6
85.02838	0.5
87.00768	0.7
88.98684	1.0
89.02313	1.6
95.04919	0.9
96.27347	0.6
96.95908	1.3
96.96764	0.7
101.02318	0.7
109.06409	0.7
113.02339	0.9
119.03381	0.8
119.63232	0.5
120.37165	0.6
121.02839	0.7
125.02366	1.2
125.05949	0.8
135.08078	0.7
145.02847	0.7
152.99519	0.6
163.11177	5.3
165.12755	4.3
168.04213	3.3
171.10216	1.4
179.03340	0.5
179.05374	0.5
181.12268	1.1
191.10695	1.6
209.11766	100.0
210.12135	5.1
224.06947	2.3
227.12834	22.1
228.13211	0.9
259.15509	1.1
329.13855	1.1
353.02658	0.6
462.21332	0.6
466.22055	0.8
484.23077	1.9
662.33643	0.9
694.35632	8.3
695.35504	0.8
726.38440	30.4
727.39178	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	725.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	2.5
59.01246	10.0
69.03304	0.9
71.01245	7.2
72.99189	0.9
73.02814	1.2
73.75689	0.6
78.95789	0.8
83.01244	2.1
83.04893	1.2
85.02821	1.6
87.00728	1.3
89.02303	4.4
93.56889	0.7
95.01266	0.8
95.04922	1.0
97.06457	4.9
101.02327	6.5
104.12715	0.7
107.01278	1.1
109.02853	1.3
113.02345	3.2
119.03376	0.9
123.04362	0.8
125.02324	12.2
137.02365	0.9
139.00397	0.7
145.05017	1.2
151.03899	1.0
151.11186	13.7
152.11537	0.8
161.02336	1.2
161.04488	1.5
161.05859	0.6
164.00984	0.9
169.01329	7.7
169.12254	74.8
170.12555	3.3
170.68710	0.8
171.10191	2.4
195.10159	1.8
195.13847	4.6
197.11775	6.9
205.12238	1.0
209.09860	1.3
209.11755	18.1
210.12109	1.0
211.13356	1.5
213.11232	11.1
214.11655	0.7
223.13417	6.2
227.12898	3.4
229.85530	0.8
235.08171	1.9
245.04620	0.7
251.20085	2.8
253.09233	6.6
256.13269	0.8
261.18558	1.8
271.05917	0.9
275.20184	2.4
277.21527	1.1
279.19666	16.1
279.22855	1.6
280.20013	1.1
289.07086	2.5
291.19742	1.2
293.21219	18.8
294.21481	1.2
303.05280	1.0
303.93475	0.6
309.20630	3.9
431.18991	1.5
441.08237	1.9
449.20172	4.8
459.22278	0.6
725.41125	100.0
726.41400	16.4
759.81281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77619	0.2
57.03322	1.1
58.00470	0.4
59.01252	11.7
68.99655	0.2
69.03329	2.4
71.01256	4.4
71.04887	0.5
72.99181	0.3
73.02817	1.3
81.03321	0.3
83.01291	0.6
83.04868	0.6
83.30248	0.2
85.02824	1.0
85.06495	0.4
87.00748	1.2
89.02328	3.2
89.08480	0.3
91.03850	0.3
95.01279	0.4
95.04887	0.4
97.02831	1.1
97.06490	0.5
98.20557	0.7
99.00763	0.4
101.02321	4.0
107.04881	0.3
109.06490	0.6
111.00809	0.2
111.08032	3.7
113.02328	1.9
119.03399	0.8
123.08027	0.5
125.02344	0.6
125.09621	0.7
127.07563	0.4
135.11647	0.4
137.09584	0.5
141.09105	0.4
143.03487	0.3
145.04926	0.4
149.09628	0.6
151.11206	0.6
153.09128	0.7
153.12798	1.2
154.53142	0.3
159.40230	0.3
161.04480	2.0
161.13232	0.4
163.11201	0.5
165.12755	0.9
167.10706	2.5
169.12254	7.4
171.10223	1.5
177.12859	0.5
179.05519	0.8
179.10695	1.8
179.14320	3.1
181.12231	0.5
185.11716	0.3
193.12115	0.3
195.13847	7.4
196.14207	0.3
197.11768	100.0
198.12093	5.1
199.09715	0.3
199.13333	1.2
205.12283	6.9
206.12650	0.6
209.11752	1.2
211.13351	3.6
212.13809	0.3
216.57834	0.3
223.13350	70.7
224.13669	5.2
227.12875	1.3
235.08215	4.7
247.20630	0.7
253.09270	13.4
254.09644	0.5
263.20212	0.8
265.18094	0.4
266.45541	0.3
273.18695	0.6
279.19507	0.3
291.19650	11.9
292.19934	1.0
293.21240	0.9
309.20706	29.9
310.21069	2.6
411.25424	0.6
429.26462	0.6
433.20721	3.4
434.21436	0.4
441.21329	1.2
459.22336	9.1
460.22510	1.6
489.32043	0.5
527.27893	0.3
545.29846	0.6
546.08545	0.3
621.32764	0.3
647.34668	0.9
665.35474	1.2
666.36621	0.5
725.39789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77619	0.2
57.03322	1.1
58.00470	0.4
59.01252	11.7
68.99655	0.2
69.03329	2.4
71.01256	4.4
71.04887	0.5
72.99181	0.3
73.02817	1.3
81.03321	0.3
83.01291	0.6
83.04868	0.6
83.30248	0.2
85.02824	1.0
85.06495	0.4
87.00748	1.2
89.02328	3.2
89.08480	0.3
91.03850	0.3
95.01279	0.4
95.04887	0.4
97.02831	1.1
97.06490	0.5
98.20557	0.7
99.00763	0.4
101.02321	4.0
107.04881	0.3
109.06490	0.6
111.00809	0.2
111.08032	3.7
113.02328	1.9
119.03399	0.8
123.08027	0.5
125.02344	0.6
125.09621	0.7
127.07563	0.4
135.11647	0.4
137.09584	0.5
141.09105	0.4
143.03487	0.3
145.04926	0.4
149.09628	0.6
151.11206	0.6
153.09128	0.7
153.12798	1.2
154.53142	0.3
159.40230	0.3
161.04480	2.0
161.13232	0.4
163.11201	0.5
165.12755	0.9
167.10706	2.5
169.12254	7.4
171.10223	1.5
177.12859	0.5
179.05519	0.8
179.10695	1.8
179.14320	3.1
181.12231	0.5
185.11716	0.3
193.12115	0.3
195.13847	7.4
196.14207	0.3
197.11768	100.0
198.12093	5.1
199.09715	0.3
199.13333	1.2
205.12283	6.9
206.12650	0.6
209.11752	1.2
211.13351	3.6
212.13809	0.3
216.57834	0.3
223.13350	70.7
224.13669	5.2
227.12875	1.3
235.08215	4.7
247.20630	0.7
253.09270	13.4
254.09644	0.5
263.20212	0.8
265.18094	0.4
266.45541	0.3
273.18695	0.6
279.19507	0.3
291.19650	11.9
292.19934	1.0
293.21240	0.9
309.20706	29.9
310.21069	2.6
411.25424	0.6
429.26462	0.6
433.20721	3.4
434.21436	0.4
441.21329	1.2
459.22336	9.1
460.22510	1.6
489.32043	0.5
527.27893	0.3
545.29846	0.6
546.08545	0.3
621.32764	0.3
647.34668	0.9
665.35474	1.2
666.36621	0.5
725.39789	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	9.0
68.02431	3.5
69.27467	3.0
70.44807	10.3
70.45145	3.1
70.83151	2.8
71.01254	5.7
82.74819	3.3
83.04912	4.1
89.02319	6.0
96.95919	4.4
170.60757	4.1
171.10149	4.3
197.11925	3.5
209.11769	100.0
209.13768	6.1
210.12082	6.6
211.13310	90.0
212.13586	3.4
223.13367	3.7
227.12891	21.9
253.09358	8.8
272.04587	3.7
321.83673	3.5
353.47958	3.3
445.20834	10.8
446.20721	3.3
447.22055	5.5
452.39761	4.3
589.25452	4.5
604.05536	3.7
635.83801	3.5
639.34113	6.6
725.34766	31.5
726.36279	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	725.352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58318	6.5
59.01253	14.2
96.95883	8.3
98.20558	12.4
101.20243	6.7
119.55657	6.5
125.02387	7.2
163.11169	6.8
163.37827	6.2
171.10144	6.8
182.90436	7.2
197.11578	7.4
209.11765	100.0
211.13338	97.9
227.12787	15.8
235.08131	9.9
427.80267	6.7
447.22226	11.7
456.40210	7.1
501.67764	7.2
609.55652	6.5
725.35724	37.6
726.35773	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	725.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.1
59.01242	2.0
67.21107	0.5
71.01244	3.3
71.72335	0.6
73.60060	0.6
75.70170	0.6
78.95766	1.5
79.01756	4.2
79.95618	0.6
85.02816	1.1
89.02299	1.6
93.03345	2.8
96.95899	0.6
97.02794	0.6
101.02318	0.7
111.04414	2.7
113.02328	0.9
113.05968	0.7
119.04905	16.7
120.05221	0.9
122.03611	1.6
123.04488	0.7
123.08091	0.7
125.02349	4.0
125.06029	1.2
135.04430	8.8
136.05103	0.9
137.05986	0.9
138.06738	1.4
139.07523	2.8
145.02808	1.1
150.03119	0.5
151.03889	1.6
151.07545	5.6
152.04610	0.7
152.08336	3.0
152.99515	0.9
153.09122	1.1
161.02371	1.1
161.09647	0.7
163.03867	0.7
163.07523	1.2
165.05473	1.0
167.06924	0.8
167.72713	0.6
169.01355	1.6
171.10106	0.8
179.03409	16.5
180.03680	0.9
193.04935	1.4
197.04436	1.4
201.12759	1.7
203.10678	1.0
204.11473	4.3
205.04976	2.2
219.13808	6.0
263.12857	5.3
289.07040	0.9
299.09219	100.0
300.02515	0.9
300.09543	9.0
301.03381	0.8
327.21683	0.7
360.10510	0.6
374.77423	0.6
447.09210	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78333	0.2
55.01733	0.3
56.68193	0.2
58.00450	0.3
59.01250	4.3
68.85184	0.2
71.01244	2.7
73.02805	0.9
75.00755	0.2
80.02541	0.8
81.03320	0.9
83.01262	0.6
83.04890	3.3
84.02036	0.6
85.02819	0.7
87.00753	0.9
87.24471	0.2
89.02319	1.7
95.01272	0.3
95.04899	0.5
97.06467	0.4
98.19759	0.4
99.00768	0.2
101.02321	3.1
105.82034	0.2
109.06459	0.2
113.02330	1.9
119.03381	0.6
125.05910	0.2
133.04936	0.3
135.07991	0.3
145.04951	0.8
157.04778	0.3
161.04471	1.2
163.11169	2.4
165.12767	1.5
171.10118	0.3
181.12234	0.5
191.10719	0.6
209.11757	74.4
210.12094	4.5
211.13370	0.3
225.11206	0.3
227.12830	10.0
228.13205	0.5
231.42046	0.2
233.22531	0.3
235.08177	5.3
236.08533	0.3
253.09232	9.1
254.09535	0.4
275.20169	0.4
277.21695	100.0
278.18985	0.5
278.22058	9.4
352.79129	0.2
445.20621	0.3
739.37811	0.2
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	Unknow
Peak:m/z	Relative Intensity
52.52281	0.3
58.00454	0.5
59.01248	5.7
63.94281	0.3
69.03336	0.5
71.01256	4.4
71.04871	0.7
73.02818	1.0
74.75813	0.3
80.02581	0.3
81.03349	0.4
83.01270	0.8
83.04897	1.3
84.02049	0.3
85.02821	1.0
87.00734	0.7
89.02324	3.3
101.02309	3.6
111.08044	0.5
113.02343	2.6
119.03388	0.9
120.74812	0.3
121.10136	0.3
135.08046	0.4
143.03400	0.6
145.05002	0.4
155.14252	0.3
161.04433	2.0
163.11188	1.5
165.12781	0.6
167.10652	0.5
167.14333	0.6
179.05504	0.7
181.12259	0.9
183.13823	6.1
184.14108	0.6
191.10614	0.5
193.12283	1.7
195.13826	4.6
196.14326	0.5
199.13324	4.6
199.80075	0.3
205.12352	0.3
209.11761	33.2
210.12123	2.0
211.13324	100.0
212.13664	5.2
223.13315	3.7
224.13876	0.4
227.12836	17.4
228.13219	1.3
235.08174	4.5
245.13965	0.5
253.09259	16.7
254.09653	1.0
256.13171	0.6
269.76215	0.3
275.20172	4.6
276.20425	0.6
277.18591	0.8
277.21701	33.5
278.22043	4.1
293.21207	58.5
294.21542	5.2
325.10846	0.3
345.11612	0.3
445.20728	0.9
447.22348	4.6
448.22562	0.5
463.21838	3.1
464.21921	0.4
469.32916	0.5
529.30072	0.6
723.42834	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.3
57.03325	0.2
58.00490	0.2
59.01246	3.5
60.86198	0.1
70.44023	0.3
70.44391	0.2
71.01250	2.7
71.04890	0.1
73.02818	0.5
77.77801	0.1
78.95778	0.1
80.02540	1.0
81.03319	1.0
83.01260	0.5
83.04896	4.9
84.02039	0.6
85.02829	0.5
87.00732	0.6
89.02319	1.7
93.03311	0.2
95.01263	0.3
95.04901	0.8
97.02815	0.1
97.06464	0.2
98.20397	0.1
99.00809	0.2
101.02317	1.9
102.11127	0.1
105.94645	0.1
109.06469	0.3
111.00813	0.1
111.07984	0.2
113.02328	1.5
113.06029	0.1
119.03378	0.4
123.53777	0.1
123.66659	0.1
125.02317	0.1
125.05978	0.4
125.09569	0.3
127.11184	0.1
129.01921	0.1
135.08054	0.6
143.03410	0.2
145.04933	0.1
147.11761	0.1
152.99527	0.1
153.12701	0.1
161.04472	0.8
162.23918	0.1
163.11191	3.5
164.11572	0.1
165.12761	2.5
179.05550	0.3
181.12273	0.4
185.11754	0.2
191.10698	1.0
199.13313	0.4
205.19586	0.1
209.11763	100.0
210.12102	6.5
211.13385	0.6
225.11186	0.2
227.12834	10.9
228.13147	0.8
233.22699	0.2
235.08167	1.5
243.37479	0.1
253.09261	7.7
254.09637	0.4
259.20517	0.2
275.20142	0.2
277.21710	50.9
278.22052	4.8
293.21173	0.3
445.20764	0.8
463.21616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52806	0.2
55.01758	0.3
55.65997	0.2
57.03305	0.2
59.01249	3.7
61.98668	0.2
67.54726	0.2
69.03304	0.5
70.32790	0.6
70.33182	0.4
71.01246	3.2
73.02810	0.6
81.03331	0.4
83.01283	0.4
83.04887	1.1
85.02820	0.8
87.00745	0.6
89.01795	0.3
89.02306	2.4
95.04873	0.3
98.20390	0.3
101.02311	3.1
111.08025	0.3
113.02345	1.4
114.77392	0.2
119.03391	0.6
121.34435	0.2
143.03322	0.3
145.04951	0.5
148.14337	0.2
161.04465	1.4
163.11212	0.5
165.12741	0.7
167.10658	0.4
167.14296	0.5
179.05573	0.6
179.14349	0.3
181.12151	0.4
183.13818	6.1
191.87296	0.2
193.12247	1.5
195.13814	4.8
196.14476	0.7
205.12259	0.3
205.16132	0.2
209.11766	14.4
210.12106	1.0
211.13321	100.0
212.13663	6.2
220.18619	0.2
223.13338	2.7
227.12802	1.8
228.13448	0.3
231.21040	0.5
235.08192	3.5
240.15767	0.2
249.83568	0.2
253.09245	13.9
254.09566	0.5
256.13263	0.7
265.21762	0.3
275.20105	4.4
276.20428	0.5
276.65802	0.3
277.21707	8.7
278.22003	1.0
293.21201	57.3
294.21521	4.9
447.22345	5.0
448.22528	0.7
469.32709	0.2
487.34219	0.3
516.71039	0.2
529.29877	0.5
723.41449	0.2
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	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
57.03321	0.3
59.01248	4.7
69.03323	0.6
71.01250	3.5
71.05641	0.4
72.99195	0.2
73.02808	0.7
80.02556	0.2
81.03339	0.4
82.47809	0.2
82.91680	0.2
83.01250	0.6
83.04897	1.2
85.02827	0.8
85.03281	0.2
85.45548	0.2
87.00758	0.6
89.02312	2.4
94.21265	0.2
95.01260	0.4
95.04913	0.4
97.06464	0.3
99.00753	0.2
101.02311	3.6
104.27951	0.2
104.58474	0.2
111.08042	0.2
113.02328	1.8
119.03394	0.8
131.03404	0.2
132.11888	0.2
135.08026	0.2
141.27621	0.2
143.03474	0.2
145.04977	0.4
161.04417	1.6
163.11180	0.8
164.13377	0.2
164.15208	0.2
165.12740	0.8
167.10664	0.5
167.14296	0.5
171.10182	0.3
174.58014	0.2
179.05501	0.5
179.14301	0.8
181.12321	0.2
183.13835	6.7
184.14096	0.4
188.54448	0.2
193.12251	1.8
195.13841	5.6
196.14360	0.6
205.12300	0.4
209.11771	18.4
210.12119	0.9
211.13329	100.0
212.13684	6.5
212.15294	0.1
223.13333	3.6
225.11203	0.3
227.12827	1.6
228.13582	0.4
231.21208	0.3
235.08206	3.1
235.16899	0.3
253.09259	13.0
253.94681	0.2
254.09628	0.5
256.13089	0.7
265.21695	0.4
275.20139	5.4
276.20483	0.3
277.21695	9.5
278.22049	0.8
282.38028	0.2
293.21213	57.5
294.21539	4.7
319.52399	0.2
359.76337	0.2
447.22369	3.7
448.22433	0.4
487.34030	0.8
529.30139	0.7
723.43085	0.3
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
55.01764	0.3
56.75361	0.1
57.03311	0.2
59.00954	0.2
59.01250	3.8
70.13683	0.3
70.14104	0.6
71.01250	3.5
72.99189	0.2
73.02809	0.9
78.95779	0.5
80.02539	1.1
81.03318	1.0
83.01270	0.6
83.04890	4.6
84.02047	0.7
85.02814	0.8
87.00746	0.5
89.02310	2.2
92.42286	0.2
93.03323	0.2
95.01297	0.2
95.04913	0.7
97.02816	0.4
97.06443	0.2
99.00675	0.2
101.02308	2.5
107.04919	0.2
109.06490	0.4
113.02331	2.1
119.03376	0.6
125.05990	0.5
125.09632	0.3
127.07578	0.2
135.08081	0.4
143.03406	0.4
145.05002	0.3
150.81526	0.2
152.99487	0.6
161.04459	1.3
163.11192	3.7
164.11517	0.3
165.12759	2.0
171.10194	0.2
178.96777	0.2
179.05499	0.4
181.12271	0.6
191.10800	0.8
207.10213	0.3
208.10509	0.2
209.11765	100.0
210.12105	5.9
211.13351	0.3
227.12828	11.3
228.13206	0.6
235.08182	2.6
236.08405	0.2
241.89130	0.2
253.09256	8.4
254.09700	0.4
255.23207	0.2
259.20737	0.2
275.20175	0.3
277.21698	70.3
278.22064	6.0
293.20908	0.2
445.20746	0.7
463.21399	0.2
469.14835	0.5
672.09155	0.2
705.35852	0.4
723.43066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.6
70.84643	0.7
71.04119	0.9
71.04448	1.2
78.95772	36.2
80.02547	2.4
80.06423	0.6
81.03336	2.1
83.04888	7.0
84.02052	1.5
95.04905	0.7
96.96832	2.6
109.06451	0.7
118.98013	0.8
125.05971	1.1
125.74403	0.6
135.08041	1.1
149.93573	0.7
152.99480	41.2
153.99872	0.9
163.11165	5.4
165.12788	3.6
171.00522	4.5
173.41077	0.7
181.12137	0.7
191.10594	1.5
199.13283	1.3
209.11757	100.0
210.12117	4.7
227.03200	4.8
227.12805	12.9
245.04350	0.9
245.82674	0.8
253.21693	18.1
254.22115	0.8
277.21811	4.1
293.21259	0.7
337.63937	0.7
363.12164	2.6
395.14636	1.9
437.15741	3.8
455.16840	8.0
469.18405	1.4
487.19476	65.9
488.19849	5.0
593.50824	0.7
630.03528	0.7
691.38068	4.6
723.40912	51.1
724.40967	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	723.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04518	0.7
59.01253	2.5
60.97645	0.6
62.96278	0.7
67.41454	0.6
68.50898	0.6
68.79987	0.6
71.01265	2.2
71.04842	1.8
78.95771	41.5
80.02552	1.6
81.03351	2.2
83.01256	0.9
83.04897	8.2
84.02064	1.0
89.02319	1.1
95.04890	1.0
96.96844	2.5
101.02341	1.7
109.06454	3.3
125.05946	1.0
135.08121	0.8
150.97887	1.1
152.99480	48.6
153.26604	0.7
161.04404	1.1
163.11182	6.8
165.12735	4.5
169.12286	1.6
171.00534	5.9
171.10184	1.0
181.12282	1.2
183.13832	3.6
186.41241	0.6
191.10728	1.1
195.13742	0.8
199.13292	3.6
207.10252	5.1
208.10542	2.4
209.11768	100.0
210.12108	6.0
211.13289	0.8
217.88855	0.7
225.11346	3.3
226.11591	1.5
227.03290	4.3
227.12820	20.2
228.13148	1.0
235.08170	2.2
245.04276	1.6
253.09244	4.1
253.21672	18.1
254.22086	1.3
255.23106	0.9
277.21698	29.4
278.22046	4.8
279.22998	2.8
293.21234	3.4
363.12283	3.4
395.14703	2.1
429.20474	3.6
430.21204	0.7
437.15750	2.5
445.20441	0.9
448.43231	0.8
455.16870	8.0
461.20132	1.5
487.19485	64.4
488.19897	5.0
684.43567	0.7
691.38403	5.4
705.37036	0.9
723.41028	54.9
724.41150	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	723.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	17.0
59.01251	1.5
62.11344	0.6
68.54125	0.7
69.46628	2.2
69.47051	4.5
71.01258	1.5
77.26073	0.7
81.03304	1.0
83.01274	3.7
89.02319	0.9
92.11520	0.7
93.03358	1.0
95.04899	1.0
97.02789	1.2
107.04885	0.8
109.02840	9.7
117.03349	2.0
119.04901	2.7
121.02878	2.1
123.00709	1.0
123.04381	6.1
125.02336	100.0
126.02660	2.3
131.04941	1.0
133.02853	3.3
135.04422	2.7
137.02344	19.8
139.03925	1.5
145.02864	6.8
149.02362	2.8
151.03902	4.9
159.04424	4.0
159.75571	0.8
161.02356	25.5
161.06001	2.6
162.03062	1.3
163.00334	2.0
163.03897	3.9
164.01083	3.5
165.01826	4.1
175.03947	6.8
177.01862	7.7
177.05493	0.8
179.03488	2.5
185.05963	1.2
186.87648	0.7
187.03978	4.4
188.04553	1.1
199.03984	0.8
201.05521	2.5
203.07071	3.9
205.01396	1.3
205.05048	3.1
209.11752	0.9
211.03951	1.1
213.05545	0.9
214.02698	0.8
217.05026	1.3
219.02835	1.0
219.06628	0.7
225.05530	1.3
227.03560	1.7
227.07196	1.3
229.04953	3.7
236.04477	0.8
237.05530	0.8
241.05084	0.9
243.02963	2.9
245.04633	3.6
245.08185	5.8
253.05121	1.6
255.02910	4.3
256.03806	1.5
257.04388	1.4
269.04581	2.0
271.06018	6.0
273.04047	5.5
281.04596	2.0
283.02258	1.2
283.05988	1.1
285.04089	2.5
287.05649	7.3
289.07178	27.6
290.07516	2.1
299.05621	6.7
339.08618	1.1
381.09814	1.6
389.06589	1.1
407.07712	33.5
408.08173	3.1
425.08795	8.3
426.09125	1.0
433.09341	2.0
435.11081	1.9
451.10385	9.9
452.10544	0.9
553.11206	2.5
559.12439	2.2
571.12518	4.6
577.13739	4.9
578.13629	1.0
597.14136	1.7
723.18030	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	723.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	13.8
59.01204	0.7
65.00168	0.6
71.01258	0.7
71.07419	1.6
81.03333	1.8
83.01240	4.1
93.03313	1.5
95.04912	1.2
96.95874	4.4
97.02837	2.0
98.95495	0.6
107.04873	1.4
109.02830	12.1
109.03502	1.1
110.03175	0.6
111.70248	0.6
112.30608	0.7
117.03354	1.7
119.04919	2.1
121.02839	2.2
122.03539	0.8
123.04414	6.7
125.02334	100.0
126.02666	2.5
131.04884	1.1
133.02849	4.1
135.04422	3.1
137.02342	18.9
138.94698	0.6
139.03908	1.6
145.02838	6.5
146.03630	0.9
147.04408	0.8
149.02368	4.4
150.03166	0.8
151.03914	7.1
159.04427	5.5
161.02341	27.4
161.03690	1.3
161.05986	3.5
162.03023	2.0
163.00262	1.7
163.03893	4.1
164.01118	2.8
165.01877	5.1
167.03384	1.2
173.05937	1.2
174.03111	0.8
175.03920	8.5
175.07558	0.9
177.01843	12.3
177.05414	1.3
179.03409	3.6
183.02939	0.6
183.04480	1.5
185.06000	1.7
187.03929	4.9
188.04662	2.1
190.02657	0.7
193.04970	0.8
199.03911	2.1
199.07462	0.7
200.04419	0.6
201.05478	1.9
202.06252	0.9
203.03476	1.5
203.07069	6.4
205.01369	1.7
205.05017	3.8
211.03986	2.2
212.04665	0.8
213.05446	1.2
215.03529	0.8
217.04991	2.7
219.02910	1.5
221.08240	0.8
225.05540	1.3
227.03442	3.6
227.07089	3.4
228.04225	1.3
229.04916	3.2
229.55420	0.6
230.02211	0.9
231.02809	0.7
237.05582	0.7
239.03624	0.6
243.02927	7.1
243.06648	1.0
245.04579	5.3
245.08179	9.8
247.06046	0.8
253.05035	2.5
253.08691	1.7
255.02943	9.8
256.03690	4.8
257.04532	2.4
258.04779	0.6
265.05103	0.6
267.03107	0.8
269.04483	3.4
271.02991	1.2
271.06076	11.0
273.04160	2.8
281.04517	3.9
282.01630	0.8
283.02499	2.6
284.03183	1.1
285.04077	3.0
287.05615	7.6
288.02899	0.7
288.05945	0.8
289.07172	42.9
290.07593	2.8
297.04047	2.3
297.07480	0.7
299.05600	2.0
300.02780	1.4
301.03479	1.9
303.75299	0.7
321.07626	1.2
339.08679	2.4
363.08899	1.0
381.09924	3.1
389.06766	5.0
407.07690	91.4
408.08047	10.0
425.08798	8.6
433.09253	5.5
435.10861	6.6
447.09473	3.2
451.10339	11.7
452.10675	1.1
509.12387	1.0
553.11304	7.9
554.11835	0.9
559.12427	4.3
571.12537	5.5
572.12543	1.1
577.13586	7.9
578.13757	1.4
597.13977	2.1
723.17291	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	723.141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97769	5.1
57.73917	6.4
60.47643	6.0
64.60947	4.8
69.60736	38.5
72.99179	24.4
91.05429	6.5
96.95892	13.4
108.17970	6.4
119.10789	5.0
125.02325	100.0
149.05995	52.3
150.24971	5.0
163.03928	12.3
169.01338	82.0
177.05522	15.6
191.76669	6.3
196.16243	5.7
221.31839	6.2
239.05624	84.0
250.87329	5.2
287.07733	12.5
313.05594	11.7
331.06644	30.0
386.04160	6.2
439.08749	85.2
440.09308	8.6
483.07828	78.2
498.79950	5.6
516.76129	6.6
599.14990	7.7
715.07098	6.8
749.57281	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	723.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89098	1.1
57.03318	13.3
67.04816	1.1
70.45191	3.7
76.32584	0.8
81.03339	1.4
82.47246	0.9
83.01262	3.9
93.03330	1.4
96.95869	1.8
97.02834	1.6
109.02833	11.9
119.04910	2.7
121.02828	1.3
123.04414	6.6
125.02332	100.0
126.02684	2.3
129.11847	1.0
133.02841	4.1
134.03476	1.1
135.04395	2.9
137.02339	17.5
139.03905	1.5
143.04926	1.0
145.02852	7.0
149.02354	3.5
151.03900	9.1
159.04390	3.7
161.02341	25.6
161.05981	4.0
162.03035	2.0
163.00223	2.3
163.03880	4.1
164.01059	2.3
165.01819	4.0
174.03160	1.0
175.03877	9.8
175.07458	1.1
177.01848	14.0
179.03369	4.3
185.06026	2.1
187.03900	6.3
188.04578	1.8
189.05582	1.0
193.05013	1.4
201.05536	2.2
202.06149	1.5
203.07115	5.1
204.03891	1.0
204.07347	1.2
205.01389	2.0
205.05048	6.1
211.03949	1.0
217.05017	2.8
219.02893	1.2
225.05542	1.4
227.03392	2.3
227.07054	2.8
228.04062	1.1
229.04991	3.3
231.02895	1.5
237.05634	1.5
243.02916	5.3
243.06439	1.3
245.04538	6.3
245.08157	8.7
253.05103	1.8
253.08694	1.3
255.03017	8.3
256.03610	3.3
257.04395	1.8
269.04489	2.3
271.06100	8.8
273.03976	3.9
281.04477	3.2
283.02448	2.8
285.04004	4.1
287.05600	9.3
289.07172	36.0
290.07458	2.8
297.04050	2.0
297.07593	1.7
299.05566	4.6
339.08676	3.3
381.09711	2.3
387.76578	1.0
389.06595	3.6
407.07684	58.8
408.07898	6.9
425.08844	8.6
433.09323	2.9
435.10709	2.3
451.10294	12.8
452.10828	1.4
553.11493	3.2
559.12573	3.2
571.12372	6.1
577.13434	11.5
578.13428	2.0
597.13696	1.5
723.17786	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4608
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36640	0.5
70.42691	0.8
70.43047	1.9
73.26682	0.6
78.95773	20.0
80.02541	2.0
81.03329	1.1
83.04888	7.6
84.02031	1.9
95.04917	1.0
96.96859	1.1
107.69268	0.5
109.06486	0.6
113.15272	0.5
125.05929	0.8
130.14993	0.5
135.08064	0.8
152.99486	8.2
163.11208	6.5
165.12753	3.8
168.04227	4.5
171.00592	0.9
191.10698	1.0
209.11758	100.0
210.12079	5.4
224.06866	2.8
227.12831	32.2
228.13121	1.6
253.21703	2.5
255.23254	53.3
256.23572	3.6
259.15421	1.3
277.21634	0.8
455.17010	1.2
480.30789	4.5
484.23074	0.7
487.19446	11.2
690.43469	8.8
691.36737	0.7
691.44250	0.6
722.46094	38.6
723.41992	9.2
727.09814	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93561	0.4
55.01759	0.5
57.03315	0.6
57.09461	0.5
58.00455	0.5
59.01248	9.8
60.44728	0.4
69.03316	0.8
71.01251	7.2
72.99182	0.7
73.02810	1.7
75.10012	0.4
77.58472	0.4
78.51740	0.4
78.95768	0.6
80.02583	0.6
81.03316	1.6
83.01243	1.4
83.04883	1.4
85.02824	1.4
87.00764	1.2
89.02307	4.8
90.45401	0.4
91.76834	0.4
93.03289	0.6
95.01268	1.7
95.04886	3.8
97.02814	4.3
97.06483	0.7
99.04395	0.7
101.02317	5.0
107.04924	0.8
109.02861	0.4
109.06476	7.1
110.03642	2.4
111.04388	1.1
111.08041	0.8
113.02325	3.1
119.03388	1.9
121.06450	0.9
123.08070	0.6
125.02323	0.4
125.09674	0.6
131.03438	0.6
133.04973	0.4
135.08014	0.7
143.03438	0.7
145.04915	0.6
145.10138	1.0
147.77254	0.5
151.11121	0.7
160.29387	0.5
161.04462	1.7
161.09612	1.7
163.07515	0.6
163.09821	0.6
163.11189	9.5
164.11604	0.5
169.12247	1.1
171.21437	0.4
173.35031	0.6
179.05547	2.0
179.10692	2.0
181.12222	1.6
189.09145	5.0
197.11725	1.9
206.91508	0.5
207.10187	30.8
208.10483	1.8
209.11845	2.1
211.13324	2.7
225.11264	100.0
226.11604	4.4
235.08220	4.5
253.09245	9.7
275.20050	1.0
277.21710	56.0
278.22064	3.7
279.19666	0.5
291.19666	1.7
293.21246	1.1
299.15106	0.7
443.19211	7.3
444.19492	0.6
461.20288	19.7
462.20328	1.2
480.77118	0.6
485.32523	1.0
721.41589	10.3
722.41968	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	721.3655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25807	0.8
58.00449	1.0
59.01244	9.1
61.98687	4.2
63.83782	1.0
68.77386	0.8
70.13240	2.2
70.13632	1.7
71.01254	58.4
71.04893	1.2
72.99211	1.3
75.00732	5.9
75.51412	0.9
78.95775	3.4
79.05386	1.0
79.95606	1.4
80.02500	1.2
80.96395	5.6
81.03334	2.7
83.01259	1.7
83.04890	7.2
84.02036	1.5
85.02805	2.9
87.00751	1.8
87.53193	1.0
89.02297	3.8
94.97975	1.1
95.01288	1.0
95.04918	2.9
96.95872	2.0
97.02809	4.6
99.00743	4.5
101.02335	5.7
103.00238	1.9
109.06464	9.4
113.02332	3.4
123.04449	1.0
125.02316	2.7
125.09613	2.8
127.11171	1.4
135.08049	2.7
136.05113	1.1
145.02917	0.9
149.02400	1.0
152.99620	1.1
161.04440	1.3
163.11186	11.7
165.12799	2.1
169.12257	1.0
171.10173	16.7
180.45543	1.0
181.12259	7.4
183.13771	1.2
185.11693	1.9
191.10732	1.6
197.11752	4.9
199.13306	6.2
201.11273	7.4
207.10205	28.6
207.12155	1.4
208.10555	1.4
209.11763	100.0
210.12090	8.8
211.13239	5.0
215.12898	1.6
225.00673	1.8
225.11272	26.8
226.11624	1.2
227.12851	11.6
228.13017	1.0
235.08136	2.4
243.12325	3.4
253.09235	10.8
273.17038	8.8
274.17377	7.0
275.17599	2.5
290.34674	1.0
394.20276	0.9
399.21991	1.6
417.23206	1.4
461.20364	6.1
479.21310	2.6
538.23285	1.0
554.93060	1.1
653.31195	1.4
657.30792	1.1
671.32904	3.9
689.33954	10.7
690.34045	1.7
721.37225	13.2
722.36133	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55066	1.0
52.26772	0.8
57.03316	1.7
59.01252	8.7
61.98700	10.7
66.77573	0.8
69.45972	8.2
71.01253	69.8
71.04896	1.8
72.99191	1.7
73.02820	2.4
73.09158	1.0
73.68430	0.9
75.00771	1.5
78.95782	1.7
80.02548	1.8
80.96379	2.0
81.03335	2.8
83.01244	1.2
83.04890	5.3
84.02030	2.0
85.02846	3.0
87.00753	1.8
89.02306	3.8
95.04898	1.7
96.95874	1.6
97.02820	3.7
97.06455	2.7
98.20473	2.3
99.00751	4.3
100.65375	1.0
101.02338	5.0
103.00183	1.1
109.06455	10.9
113.02313	3.4
125.02337	3.0
125.09600	3.7
130.98846	1.0
135.08063	3.1
136.05278	1.0
145.02815	1.0
161.04424	2.0
161.09566	1.3
163.11182	13.6
165.12791	3.1
171.10175	19.0
172.10530	1.1
175.02376	1.5
181.12248	5.4
185.11714	3.5
189.09181	1.4
197.11717	1.5
199.09526	1.3
199.13312	10.0
201.11232	9.8
207.10201	33.7
207.12180	1.6
209.11763	100.0
210.12082	5.6
211.13342	4.2
215.12856	1.7
220.77228	0.9
225.11261	28.7
226.11594	1.2
227.12813	11.5
235.08099	2.7
243.12393	5.0
249.01479	1.1
253.09264	9.9
399.21759	1.7
417.22571	1.8
461.20303	5.2
462.20480	1.6
653.31622	2.8
671.32648	4.2
672.33173	2.0
689.33807	11.4
690.34210	2.3
721.36951	12.8
722.36682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97179	0.7
55.01779	0.8
57.03317	1.8
59.01243	6.0
61.98698	1.4
71.01247	4.8
71.04877	4.0
71.41064	0.7
71.58337	1.6
72.99152	0.9
75.72757	0.6
80.02541	1.3
80.96389	1.2
81.03320	1.2
83.01247	0.9
83.04923	4.6
85.02836	1.7
87.00763	1.8
89.02299	3.2
95.04893	1.7
96.95890	1.4
97.02826	3.5
97.06465	2.9
98.20525	0.8
99.00751	17.4
101.02331	3.9
109.06463	1.9
110.03544	0.7
113.02338	1.4
119.04908	0.8
123.08040	1.6
125.02316	1.6
125.06010	0.7
125.09600	6.1
135.08040	1.1
136.05156	0.9
142.02571	1.0
145.02863	1.7
153.12730	1.3
163.11206	15.4
165.12663	1.4
169.01297	1.1
169.12216	1.2
171.10176	11.5
181.12253	18.6
182.12576	0.9
197.11772	2.4
199.13326	9.3
201.88785	0.9
207.10193	27.1
208.10565	1.0
209.11771	51.5
210.12134	2.7
225.11264	41.2
226.11562	1.9
227.12819	4.4
239.16948	0.9
243.12340	22.4
253.09222	3.1
461.20416	2.9
479.21326	6.0
512.22400	0.9
569.12823	1.4
671.32849	2.3
689.33844	100.0
690.34302	12.3
721.36658	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	721.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	16.8
61.98696	29.8
64.51594	4.6
69.95554	4.4
71.01253	35.2
73.02837	5.6
78.95772	16.5
81.50964	5.0
87.00739	4.5
89.02277	6.2
98.19643	8.4
101.02322	9.3
113.02371	5.5
125.02303	6.5
137.02455	5.6
142.69270	5.1
144.14909	5.2
183.13837	6.9
196.59888	4.6
197.11757	10.8
207.10269	6.9
207.21866	5.3
209.11761	43.9
211.13319	100.0
223.13373	19.2
225.11227	8.9
227.12805	6.5
253.09210	12.1
275.20035	8.5
277.21719	7.1
291.19598	38.1
292.20285	6.8
293.21094	12.8
309.20828	7.0
397.13916	6.6
447.22202	7.2
527.28705	8.9
565.92352	5.4
572.02673	5.5
721.36206	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	721.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82733	14.4
61.98695	22.4
64.92233	13.7
71.01254	25.0
120.96515	15.9
130.46956	16.9
173.35904	16.5
193.04579	18.7
209.11653	16.4
211.13385	100.0
223.13365	65.6
223.35672	18.0
291.19614	47.3
407.57404	19.3
459.22830	21.2
559.14343	17.3
721.35608	55.0
742.43903	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	721.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	17.7
61.98703	100.0
63.82274	2.7
71.01250	34.0
71.57104	3.0
72.99174	3.0
73.02837	3.7
75.00737	3.7
75.79688	2.6
78.91752	14.5
78.95784	9.5
83.04913	4.9
89.02335	4.4
96.95879	5.1
97.02804	5.6
99.00736	5.1
99.17072	2.6
101.02328	9.8
101.51833	2.6
109.06471	26.5
113.02369	5.3
135.08046	3.9
145.05013	3.6
152.99542	3.1
161.04475	2.8
163.11223	16.3
171.10225	7.2
181.12302	4.4
185.11768	4.4
189.09178	3.7
195.13814	7.0
199.13351	11.7
205.12328	8.4
207.10204	83.4
208.10498	5.2
209.11763	21.9
211.13347	29.4
223.13335	78.5
224.13580	5.6
225.11287	52.5
226.11554	6.0
227.12747	4.0
235.08136	6.6
246.53493	3.2
253.09229	18.0
291.19629	3.9
387.21463	4.2
395.22327	6.0
413.23297	5.9
431.24545	3.7
457.15012	3.4
461.20114	20.5
565.55353	3.3
649.32446	8.5
667.33392	12.7
668.34137	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	721.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55029	1.1
59.01248	2.0
62.51359	1.0
62.78996	1.2
71.01269	4.2
71.58517	1.9
72.99186	1.3
79.01761	2.5
83.01253	1.8
85.02813	2.1
92.16044	1.1
95.01257	3.5
96.95910	6.6
97.02869	1.0
99.00721	1.4
101.02319	2.6
107.01284	12.2
109.02825	1.7
111.00753	3.5
113.02310	1.9
121.02862	1.5
122.03629	1.7
123.00764	19.7
123.04399	1.6
124.01569	2.7
125.02334	74.5
126.02663	1.8
126.90253	1.2
127.00292	1.5
136.98691	2.2
137.02374	2.6
139.00253	5.4
139.03902	2.7
140.01054	5.3
141.01869	2.4
145.02789	1.2
146.03654	2.1
149.02296	6.9
150.03136	13.3
151.00287	10.4
151.03925	6.8
155.18471	1.1
162.03133	2.4
163.03943	1.6
164.04701	3.7
165.05417	7.5
166.99718	2.5
168.00566	9.3
169.01335	86.5
170.01717	3.0
177.05583	1.1
181.05003	11.5
182.05769	5.0
183.02908	13.3
193.90567	1.4
195.06557	2.8
196.07333	7.4
197.08109	3.2
211.02469	2.9
211.09593	2.0
225.04057	2.0
255.05212	1.3
283.02496	1.2
284.06689	1.3
301.03711	1.8
313.05670	28.0
314.06137	1.8
327.07156	7.7
344.12643	1.4
447.09430	4.4
451.10895	1.2
491.11548	1.5
493.13919	2.4
509.12973	19.1
510.13382	3.3
523.14740	4.1
569.11151	1.6
569.19006	3.5
639.23834	1.3
644.33472	1.2
685.40167	1.4
721.23486	100.0
722.24023	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	721.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55029	1.1
59.01248	2.0
62.51359	1.0
62.78996	1.2
71.01269	4.2
71.58517	1.9
72.99186	1.3
79.01761	2.5
83.01253	1.8
85.02813	2.1
92.16044	1.1
95.01257	3.5
96.95910	6.6
97.02869	1.0
99.00721	1.4
101.02319	2.6
107.01284	12.2
109.02825	1.7
111.00753	3.5
113.02310	1.9
121.02862	1.5
122.03629	1.7
123.00764	19.7
123.04399	1.6
124.01569	2.7
125.02334	74.5
126.02663	1.8
126.90253	1.2
127.00292	1.5
136.98691	2.2
137.02374	2.6
139.00253	5.4
139.03902	2.7
140.01054	5.3
141.01869	2.4
145.02789	1.2
146.03654	2.1
149.02296	6.9
150.03136	13.3
151.00287	10.4
151.03925	6.8
155.18471	1.1
162.03133	2.4
163.03943	1.6
164.04701	3.7
165.05417	7.5
166.99718	2.5
168.00566	9.3
169.01335	86.5
170.01717	3.0
177.05583	1.1
181.05003	11.5
182.05769	5.0
183.02908	13.3
193.90567	1.4
195.06557	2.8
196.07333	7.4
197.08109	3.2
211.02469	2.9
211.09593	2.0
225.04057	2.0
255.05212	1.3
283.02496	1.2
284.06689	1.3
301.03711	1.8
313.05670	28.0
314.06137	1.8
327.07156	7.7
344.12643	1.4
447.09430	4.4
451.10895	1.2
491.11548	1.5
493.13919	2.4
509.12973	19.1
510.13382	3.3
523.14740	4.1
569.11151	1.6
569.19006	3.5
639.23834	1.3
644.33472	1.2
685.40167	1.4
721.23486	100.0
722.24023	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	720.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.6
61.16082	0.2
61.64769	0.2
61.98701	100.0
62.98381	0.3
69.53399	0.4
69.53808	1.7
71.01265	0.7
78.95782	0.3
92.40276	0.2
96.95941	0.2
98.20512	0.5
99.00726	0.3
123.26608	0.2
125.02347	0.4
154.98671	0.2
171.10252	0.3
183.13866	0.4
207.10312	0.4
207.21239	0.2
209.11812	1.9
210.12190	0.4
211.13373	3.7
212.13710	0.8
217.00229	0.3
225.11368	0.6
227.12805	0.3
239.13118	0.2
362.84406	0.2
422.66321	0.2
440.22519	0.3
620.72223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.5
57.03315	0.3
59.01250	3.9
61.98708	2.5
71.01253	3.8
72.99180	0.5
73.02814	0.6
75.00774	0.7
78.95741	0.4
80.02547	0.9
80.96400	0.6
81.03327	1.3
83.01254	2.0
83.04887	4.2
84.02049	1.8
85.02824	1.1
87.00764	0.4
89.02309	2.1
95.01280	0.4
95.04892	0.7
96.95870	0.4
97.02834	0.6
98.20663	0.7
99.00730	0.4
101.02319	2.6
109.02831	0.4
109.06451	0.5
113.02328	2.0
119.03376	0.7
125.02298	0.4
125.06005	0.4
125.09606	3.1
127.11147	0.6
130.73885	0.4
135.08025	1.1
145.05016	0.4
147.11691	0.7
158.63136	0.4
161.04443	1.4
163.11177	4.2
164.11540	0.3
165.12781	2.6
171.10170	2.5
179.05521	0.6
181.12274	0.9
182.13010	0.4
191.10661	3.0
197.11734	0.7
199.13297	0.4
201.11253	0.4
209.11768	100.0
210.12119	4.3
211.13271	1.3
213.14861	0.5
223.13336	0.8
226.12059	0.8
227.12830	12.0
228.13167	0.7
234.56244	0.3
235.08165	2.8
241.14389	1.1
243.16017	0.6
253.06651	0.7
253.09261	11.7
254.09511	0.4
273.17062	82.4
274.17419	4.8
353.16553	0.3
355.18716	0.4
378.67233	0.3
445.20929	1.1
465.28549	1.9
509.25854	0.8
573.30054	0.4
590.30890	0.4
687.31836	1.0
719.35114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.2
61.69233	0.3
61.98701	1.8
69.03312	0.4
71.01255	1.6
72.99177	0.4
78.95771	0.7
87.00751	0.4
89.02319	0.9
97.02757	0.4
101.02328	1.3
134.33218	0.4
161.04468	0.7
164.45915	0.4
167.14253	0.5
183.13846	4.9
193.12251	1.5
193.69350	0.4
206.50554	0.4
209.11775	1.3
211.13333	100.0
212.13689	4.0
218.46867	0.4
229.29437	0.5
235.08174	1.7
253.09291	3.4
289.18393	0.4
299.47849	0.4
328.41681	0.5
387.25388	0.4
429.21100	1.8
447.22348	11.5
448.22681	0.8
527.43079	0.4
623.34375	2.0
641.35120	1.4
719.41010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79343	0.9
59.01259	5.7
61.79121	0.9
61.98701	14.8
70.94950	1.1
71.01243	4.0
71.57321	1.2
72.42267	0.9
75.00755	1.0
78.95761	2.0
80.96386	2.2
87.00752	0.8
89.02294	0.9
101.02299	1.9
110.66253	0.9
113.02311	1.2
142.17557	0.8
152.99440	1.6
171.10126	1.1
183.13838	5.7
185.11742	25.9
191.10660	1.1
193.12242	1.7
197.11775	3.6
199.13414	1.9
209.11774	7.3
210.12041	2.2
211.13324	100.0
212.13710	5.1
225.11240	1.3
229.14261	1.3
235.08151	2.8
253.09267	4.0
303.35782	0.9
324.42609	1.1
392.54535	0.9
421.20813	1.2
429.21161	2.6
447.22446	8.6
597.32977	0.9
623.34406	1.7
624.34937	0.9
687.35779	1.8
719.29065	3.5
719.40363	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	719.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09661	0.8
59.01245	14.1
61.49408	0.7
61.98700	17.9
61.99006	1.5
69.03322	1.4
70.84265	0.9
71.01236	4.9
72.99175	0.9
73.02821	0.8
75.00748	2.6
78.95762	1.4
80.96378	2.1
83.04932	0.9
85.02834	3.7
87.00764	1.3
88.16039	0.8
89.02306	2.3
89.85865	0.7
98.20662	1.6
99.00774	1.5
101.02336	2.3
113.02331	3.9
142.54187	1.0
152.99469	1.0
153.12729	1.1
161.04462	1.3
169.12228	5.9
183.13829	7.1
192.16046	0.8
193.12325	1.9
197.11758	90.4
198.12109	3.1
207.10182	1.0
209.11757	4.2
211.13329	100.0
212.13733	5.0
227.12924	1.1
229.43427	0.9
231.35483	0.8
235.08209	2.6
253.09349	5.6
273.17053	1.6
274.16327	0.8
286.02472	0.8
291.19803	1.1
415.19476	1.0
429.21228	1.3
433.20752	7.8
447.22305	8.2
609.32733	3.5
627.34326	1.4
655.33673	2.2
687.36334	6.2
719.40204	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	719.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03305	2.1
59.00989	0.7
59.01254	10.1
61.98689	2.2
68.99663	0.6
69.03323	1.0
71.00893	0.8
71.01257	13.3
71.04865	0.7
71.58310	0.9
72.99168	4.2
73.02807	1.1
75.00745	13.6
77.45033	0.5
80.02536	2.1
80.96399	1.0
81.03314	2.2
83.01225	1.3
83.04899	8.5
84.02024	1.7
85.02338	0.9
85.02827	14.8
87.00740	4.8
89.02319	2.7
94.37339	0.6
95.01262	3.0
95.04920	0.9
96.95879	1.6
97.06487	0.6
99.00757	7.6
101.02291	1.2
103.00237	1.9
113.02330	13.9
115.00239	1.7
116.55123	0.5
117.01786	2.2
125.02365	0.9
125.06001	0.7
125.09563	0.7
129.01822	1.2
135.08006	0.7
147.11751	0.9
163.11179	5.7
165.12761	3.1
171.10168	1.0
175.02409	2.2
179.10735	0.7
181.12227	1.2
191.10730	1.5
197.11765	4.2
199.13411	0.8
209.11768	100.0
210.12105	5.3
225.11301	0.8
225.47026	0.6
227.12842	9.3
228.13210	0.6
249.06128	1.8
253.09232	2.4
255.23274	0.6
445.20779	0.7
459.19217	0.8
477.19739	1.8
634.39917	0.7
687.32281	45.0
688.32581	7.0
718.46338	0.6
719.35101	43.7
720.35321	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	719.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.3
57.03313	1.2
59.01252	7.2
61.98701	6.4
69.03331	5.1
69.53847	4.0
71.01254	6.9
71.04877	2.2
73.02824	1.3
75.00745	1.0
77.93692	0.5
78.95750	1.0
80.02544	1.4
80.96363	0.6
81.03329	2.4
83.01246	1.2
83.04900	6.4
84.02055	1.4
85.02817	2.2
87.00758	1.3
89.02322	3.7
95.01306	1.0
95.04877	1.8
96.95879	2.7
97.02847	1.6
97.06499	0.9
98.20488	1.2
99.00727	1.7
101.02330	4.5
109.06524	0.6
113.02310	3.2
119.03349	0.8
123.08038	0.8
125.05968	0.7
125.09595	2.9
125.90495	0.7
131.03419	0.6
132.29990	0.6
135.08052	1.2
149.09610	0.6
151.11194	2.7
153.12764	1.6
156.97488	0.6
161.04428	1.4
161.09647	4.7
163.11203	5.2
165.12732	2.7
171.10123	1.0
179.10690	9.8
181.12303	0.8
185.11716	0.8
191.10608	0.8
197.11765	82.1
198.12103	3.9
199.13278	0.7
209.11761	85.1
210.12076	3.3
211.13396	0.7
223.09663	1.9
225.11307	0.7
227.12830	6.6
235.08183	1.0
241.10800	4.7
253.09312	4.2
295.24121	0.6
346.20139	0.6
477.19745	2.7
669.31354	1.0
687.32300	100.0
688.32800	14.7
719.35144	20.6
720.35236	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	719.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.8
59.01253	7.4
61.98696	1.0
63.18605	0.9
69.03309	1.2
71.01258	7.5
72.99158	1.5
73.02816	1.1
80.02557	2.1
80.96365	1.5
81.03338	2.0
83.01249	1.3
83.04882	8.9
84.02014	1.0
85.02810	2.3
87.00756	1.9
89.02316	5.3
95.01243	0.9
95.04899	1.4
96.95878	1.3
97.02823	1.2
97.96893	0.8
98.19823	1.8
99.00739	1.3
101.02314	6.0
107.43868	0.7
109.02839	0.8
113.02308	4.1
119.03371	1.2
125.02341	1.2
125.09586	1.0
130.68910	0.7
135.08054	0.9
141.09006	0.9
143.17865	0.8
151.03764	0.9
151.11162	1.9
153.12743	1.4
161.04486	1.6
163.11191	6.6
165.12737	3.1
169.01280	0.9
169.12250	33.7
170.12604	0.9
171.10132	2.2
179.10561	1.0
181.12230	1.3
191.10654	2.1
197.11757	63.5
198.12064	2.5
209.11761	100.0
210.12126	5.2
218.54535	0.8
227.12848	11.0
235.08186	0.8
246.38313	0.7
253.09221	5.9
277.52518	0.8
295.87170	0.8
433.20801	1.0
647.66693	0.9
664.09509	0.9
687.32263	66.6
688.32654	10.1
719.35114	54.7
720.35333	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	719.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61491	1.0
51.09841	1.3
54.91096	1.1
57.03315	1.8
59.01255	2.0
60.83776	1.0
61.16274	1.1
65.03819	1.0
67.01755	1.0
69.03296	1.7
71.01260	5.6
71.58178	1.0
71.58702	1.1
72.99172	1.4
75.70721	1.1
79.01786	1.5
82.14676	1.1
83.01261	1.4
85.02817	1.1
89.02300	1.6
89.88716	1.0
93.03387	1.1
95.01263	2.9
96.95876	1.4
97.02791	1.6
101.02338	3.0
107.01250	13.5
107.04915	1.1
109.02847	2.5
111.00763	3.5
113.02301	1.7
119.04911	2.3
121.02809	2.6
122.03599	3.5
123.00748	13.9
123.04351	2.3
124.01572	2.3
125.02332	85.3
126.02702	3.3
133.02861	3.1
136.01547	2.4
136.98726	2.2
137.02312	2.6
139.00272	6.5
139.03925	2.9
140.01031	4.7
141.01842	1.5
144.47566	1.2
145.02817	1.5
146.03653	3.7
147.04369	1.8
149.02347	5.8
149.05972	2.0
150.03128	20.0
151.00279	11.0
151.03938	9.6
161.02327	9.2
161.05951	3.2
162.03108	4.6
163.03815	3.3
164.04695	2.9
165.01857	1.3
165.05463	18.2
166.05838	1.0
166.99783	2.5
168.00560	8.4
169.01326	100.0
170.01688	3.0
174.15173	1.0
175.03862	1.4
175.07465	1.3
176.04659	6.3
177.02008	1.4
177.05367	3.6
179.03401	15.6
179.07025	2.9
180.04202	8.7
181.01282	1.2
181.05046	1.2
183.02924	12.5
191.07074	2.3
193.01216	1.4
194.05739	12.6
195.06580	10.3
209.08138	7.7
211.02368	2.3
241.03503	2.5
243.02869	1.2
253.03496	1.9
305.18918	1.2
313.05658	34.2
314.06036	2.3
327.07095	6.9
329.13815	1.4
330.14130	1.8
347.14984	1.6
361.16525	3.8
387.22845	1.2
407.07840	1.3
477.18640	2.2
478.19446	2.6
479.19717	4.2
491.11926	2.9
493.13351	2.9
509.13055	56.9
509.21436	5.2
510.13254	7.6
523.14728	6.8
524.14789	1.3
525.21271	1.4
526.21326	1.7
527.21985	2.7
557.23834	3.5
719.21936	85.1
720.22070	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	719.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12123	1.0
57.03301	3.4
59.01245	2.3
67.01741	1.3
69.03318	1.1
71.01254	5.5
71.58141	1.3
72.99158	1.4
78.95763	2.1
79.01747	1.7
81.03327	1.3
83.01246	1.4
85.02824	2.5
95.01238	4.2
96.95866	1.4
97.02809	2.4
100.70242	1.0
101.02312	1.8
107.01258	15.8
109.02824	1.5
109.99959	1.1
111.00733	4.9
113.02298	1.6
121.02831	2.4
122.03622	2.6
122.99912	1.4
123.00764	20.6
123.04391	5.1
124.01604	1.9
125.02326	90.7
125.91879	1.0
126.02655	1.7
133.02840	2.7
136.01537	1.0
136.98663	2.8
137.02304	4.0
139.00252	4.5
139.03923	2.5
140.01033	5.8
141.01782	2.0
146.03615	2.5
147.04378	1.4
149.02361	8.1
150.03117	19.4
151.00252	11.2
151.03893	10.5
152.99513	1.1
161.02351	11.1
161.05972	2.2
162.03104	4.7
163.03859	3.1
164.00858	1.1
164.04626	3.0
165.05487	16.5
166.05768	2.4
166.99771	2.4
168.00526	10.1
169.01326	100.0
170.01656	5.2
173.05998	1.1
175.03767	1.1
176.04793	5.1
177.01840	1.3
177.05402	3.3
179.03415	16.4
179.07048	2.2
180.04138	6.9
183.02893	12.1
184.79866	1.0
191.07137	1.6
194.05750	14.0
195.02859	1.2
195.06555	11.7
209.08122	7.0
211.02319	2.4
223.02208	1.6
255.02850	1.2
255.05162	1.2
255.23265	2.3
267.69385	1.0
312.04559	1.3
313.05637	29.2
314.06094	1.5
327.07236	6.5
329.13828	1.5
361.16599	2.8
392.82416	1.1
407.07553	1.4
447.52353	1.2
458.31107	1.1
477.18973	1.4
478.19553	3.9
479.12061	1.4
479.19653	4.9
493.13516	3.1
509.13007	50.0
509.21320	4.3
510.13525	7.1
523.14606	6.0
526.21393	3.0
527.21478	2.1
557.23975	2.5
605.56622	1.2
719.21887	83.5
720.22198	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	717.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	5.1
61.98706	9.0
66.08346	1.0
69.37367	8.3
71.01249	3.3
73.02826	1.1
81.03341	2.1
83.04893	3.0
89.02355	2.1
98.66518	0.8
101.02308	2.9
113.02344	1.2
119.03392	1.0
123.70696	0.8
124.90816	0.9
151.63910	1.0
163.11214	1.6
165.12784	2.1
171.10129	2.5
172.10481	1.0
179.81978	0.9
183.13821	7.1
193.12262	1.9
209.11763	72.0
210.12057	4.4
211.13330	100.0
212.13655	5.7
227.12834	12.3
235.08253	4.8
253.09201	7.9
271.15604	1.9
280.25455	0.9
399.50693	1.1
445.20523	1.5
447.22302	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	717.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39611	1.2
51.58138	1.1
59.01249	100.0
60.07078	1.2
70.79945	1.4
70.80273	2.1
78.95773	4.8
140.01045	1.3
152.82109	1.2
183.00107	1.1
193.80016	1.2
209.11725	5.9
275.20078	1.3
277.21698	10.3
278.22031	4.2
286.45944	1.2
438.10153	1.7
457.19034	2.0
459.16876	2.6
495.12338	1.3
496.13748	16.4
497.14450	11.0
498.15631	2.5
510.15396	4.8
511.16092	9.0
512.16888	2.4
513.17719	5.3
539.18915	1.5
544.16144	5.3
567.18884	9.2
568.19104	2.8
570.17932	2.3
571.18329	10.0
589.19470	2.2
597.19446	2.3
598.20929	1.8
599.21436	31.7
600.21710	7.4
602.16559	2.5
630.19824	2.8
631.19147	2.1
657.22101	19.1
658.22662	2.6
686.50665	1.5
716.41382	1.9
717.24194	69.8
718.24377	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	717.241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60776	1.1
53.75431	1.5
59.01249	100.0
61.98692	7.2
71.12142	1.7
71.12465	1.6
74.03239	1.2
78.95770	2.9
106.63846	1.3
123.00827	1.5
125.02342	1.2
152.99507	1.5
162.12614	1.1
166.36394	1.3
171.10249	1.6
194.21837	1.4
209.11765	1.4
422.29367	1.4
438.09692	1.2
453.12167	2.9
457.19016	1.9
467.13348	1.3
481.11035	2.6
496.13831	14.4
497.14478	6.0
498.14459	1.4
507.91086	1.5
510.15555	4.8
511.16257	6.4
512.16779	3.5
513.17957	3.1
538.14740	1.4
544.15985	3.6
545.16333	1.3
567.19073	9.0
568.19012	1.7
570.17517	3.5
571.18042	5.6
589.19476	3.6
597.20331	2.5
598.20520	3.3
599.21393	25.0
600.21490	5.7
602.16309	2.0
625.19568	2.6
630.19647	2.3
631.20599	1.6
634.00092	1.3
657.21857	17.0
658.22284	3.2
717.24097	70.5
718.24298	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	717.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97501	1.5
53.85663	1.6
57.48625	1.7
59.01243	6.0
59.48323	1.6
70.35207	7.2
71.01263	2.1
72.99185	11.6
77.03349	1.6
87.00737	1.6
96.95879	2.2
103.00243	31.3
119.04912	100.0
120.05212	2.4
121.02823	4.3
122.03616	4.1
146.03636	5.1
146.99269	2.9
147.04439	4.3
149.02361	5.8
150.03140	23.4
159.04457	4.3
160.05191	6.5
161.02293	2.1
161.05939	2.2
163.03905	48.0
163.05185	3.5
164.04662	2.6
165.05487	22.0
172.05124	2.1
173.05994	4.5
174.03127	7.6
175.03894	6.6
175.07553	3.2
177.05466	2.3
180.04170	2.6
183.04430	7.7
185.05974	3.9
187.03990	4.7
188.04691	16.1
189.05513	17.1
190.06198	3.7
191.03429	1.8
195.06490	14.1
198.03300	2.0
199.03929	4.3
200.04782	2.9
201.05473	2.9
203.03398	2.8
211.03934	15.2
211.13387	3.3
212.04704	4.2
213.05527	5.0
214.02727	3.5
215.03468	4.1
217.05005	46.5
218.05498	2.8
227.03506	17.6
228.04250	4.4
229.04985	10.6
231.06686	2.2
233.04506	3.6
239.03400	6.0
241.05042	5.6
242.02353	2.5
242.94363	1.8
243.02966	4.3
245.04530	4.3
255.02875	9.5
257.04453	6.6
261.04062	3.7
271.02457	4.8
271.13416	5.5
273.04105	4.1
283.02408	8.1
283.13452	5.7
285.04034	5.4
289.14435	2.9
297.00580	2.7
299.02039	4.4
300.02664	1.9
301.03555	16.4
301.14490	5.9
315.15988	10.8
317.03052	3.5
325.14487	3.1
329.02780	2.6
329.13980	10.9
333.17047	2.9
337.14496	2.5
343.15408	2.9
355.15430	2.4
356.26227	1.8
377.08447	1.9
405.08234	13.9
447.08984	8.3
451.93063	1.9
461.22021	2.1
477.19135	16.9
505.88010	1.9
507.20413	2.3
525.21454	16.7
555.22705	3.6
569.13184	9.2
611.14777	2.2
627.13684	5.6
627.26392	4.9
641.11469	3.0
643.13214	2.8
664.37146	2.1
717.13068	69.1
717.26099	49.6
718.13464	10.2
718.25568	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	717.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	14.0
69.65204	4.0
69.65614	7.6
71.01252	6.0
72.99177	4.2
89.02313	7.7
93.03342	1.6
101.02323	5.3
103.00246	24.3
107.41324	1.7
107.91443	1.5
109.02838	2.0
113.02272	2.2
119.03426	3.7
119.04908	100.0
120.05208	2.2
121.02842	2.0
123.04384	1.8
125.02383	2.1
139.03853	1.7
146.03580	2.9
150.03181	3.5
159.04430	5.3
162.03172	2.7
163.03902	30.6
164.04549	1.9
165.05482	4.8
171.04448	4.4
173.02341	2.0
173.05984	2.2
174.03098	6.1
175.03868	4.2
183.04466	8.2
185.05943	1.9
187.03955	5.2
188.04686	8.9
189.05501	20.3
191.03471	3.4
195.06535	2.4
199.03943	5.1
199.78250	1.7
201.05519	3.9
203.03380	1.8
211.03922	16.9
211.13319	3.3
213.01820	2.9
213.05463	4.3
214.02631	1.8
215.03371	10.6
216.92975	1.7
217.05005	36.9
217.09312	2.0
218.28746	1.6
226.02734	2.5
227.03430	16.5
228.04256	2.9
229.05016	11.3
233.04520	4.8
239.03445	6.8
241.05025	7.3
242.02188	2.2
243.02997	8.7
245.04449	5.0
255.02820	8.3
257.04623	6.8
261.03906	4.2
267.02945	4.8
273.03976	5.0
283.02393	9.3
285.03986	8.0
298.71439	2.3
299.01852	5.7
301.03494	15.7
302.03650	2.7
306.23495	1.9
311.01944	1.9
315.15979	1.9
317.03079	4.0
329.03159	2.2
377.08994	2.1
401.17160	2.0
405.08157	10.6
433.20737	1.9
489.19034	2.5
502.61130	2.0
569.12939	8.1
611.13641	2.4
627.13635	3.2
641.11560	1.9
643.13666	2.0
697.36584	2.0
717.13031	75.2
717.26196	14.5
718.13507	9.1
729.42444	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	716.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	0.6
61.98699	100.0
71.56783	0.2
72.76347	0.1
75.00730	0.2
78.95798	0.3
79.92839	0.1
87.00733	0.1
89.02304	0.2
101.02357	0.2
150.69919	0.1
163.78317	0.1
171.10178	1.2
172.10536	0.2
189.54803	0.1
197.11787	0.3
209.11795	0.6
211.13344	1.1
212.13661	0.9
213.14001	0.4
223.13437	0.8
224.13750	0.6
225.14034	0.2
253.09305	0.2
289.18277	0.4
295.22827	0.1
297.16141	0.2
325.94501	0.1
356.37494	0.2
716.39331	0.3
717.40454	0.3
735.46295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37707	0.1
56.66346	0.1
59.01238	0.8
61.98699	100.0
62.98382	0.2
62.99120	0.1
64.82085	0.1
71.01228	0.1
71.12493	0.2
71.12829	0.1
75.00719	0.2
75.10580	0.1
77.90454	0.1
78.81617	0.1
82.57857	0.1
82.71996	0.1
88.61790	0.1
89.02309	0.2
101.02349	0.1
171.10242	0.6
183.13841	0.2
185.11726	0.1
195.13898	0.2
196.14240	0.1
205.12259	0.1
206.12564	0.2
209.11751	0.1
211.13318	2.4
212.13652	1.8
213.13902	0.8
214.14153	0.3
223.13330	1.5
224.13695	1.3
225.13893	0.5
226.14391	0.1
253.09349	0.1
449.22403	0.1
460.22488	0.1
461.23135	0.2
462.23285	0.2
624.34906	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	715.427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72237	0.5
53.02888	0.4
55.01745	1.1
57.03318	2.1
57.32970	0.4
58.00461	0.5
59.01245	11.6
59.51770	0.4
67.01749	0.5
67.34518	0.5
71.01251	13.5
72.99179	5.3
73.02822	1.2
75.00739	15.3
76.23179	0.4
81.03318	1.2
83.01242	1.0
83.04894	2.4
84.02026	0.6
85.02821	15.9
87.00747	5.6
89.02304	3.6
91.95306	0.5
95.01257	4.2
95.04923	0.5
97.02840	0.5
99.00163	0.7
99.00758	9.8
101.02264	0.8
103.00244	1.9
104.58919	0.5
111.00735	0.5
113.02323	18.9
114.02666	0.7
115.00256	1.6
115.15478	0.4
116.08846	0.5
117.01836	2.4
125.09617	0.6
129.01833	1.0
157.01305	1.1
158.84528	0.6
163.11185	2.2
165.12753	1.3
175.02380	3.5
181.12296	0.7
191.10675	0.7
193.03474	0.7
205.07089	0.6
209.11757	24.4
210.12146	1.2
227.12804	3.1
249.06071	2.1
255.23248	66.1
256.23575	6.0
342.16327	0.5
369.46771	0.5
459.18515	1.4
487.29288	0.6
492.60159	0.5
505.30139	3.7
598.10370	0.6
673.63135	0.5
697.41528	1.6
715.42682	100.0
716.42993	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	715.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79019	0.9
57.03311	1.7
59.01253	10.4
61.98684	2.6
65.59106	1.0
69.03304	1.5
70.71714	1.0
71.01248	10.1
71.94759	0.9
72.99181	5.4
73.30855	0.8
75.00748	9.3
79.96313	0.9
80.02557	1.0
81.03332	2.0
83.01267	1.9
83.04900	5.1
84.02011	1.3
85.02814	11.6
87.00755	4.2
89.02303	3.8
95.01240	2.8
98.19798	1.9
99.00761	4.6
101.02325	3.5
113.02333	11.7
115.00264	0.9
117.01788	1.3
119.03321	1.0
125.09611	2.0
135.08028	1.5
163.11168	4.0
165.12770	2.2
166.37039	1.1
167.10652	1.8
171.10176	9.8
175.02335	1.4
179.14323	1.9
194.28162	0.9
195.13873	7.2
197.11633	1.4
205.12283	5.5
209.11761	100.0
210.12119	5.2
211.13397	4.8
223.13339	51.7
224.13707	1.9
227.12830	13.6
233.11322	1.1
235.08080	2.2
249.11250	1.0
253.09264	6.2
267.07407	1.6
269.09125	1.5
285.08569	1.0
325.20093	2.2
445.20615	1.7
455.18997	1.0
459.22351	3.3
473.20157	2.1
598.64050	1.1
665.31580	1.5
683.32843	34.5
684.33472	5.3
715.35468	24.1
716.35944	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	715.151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42331	0.5
56.22052	0.5
56.78235	0.6
59.01242	1.0
63.02257	4.3
65.00183	2.2
67.01744	1.2
68.99670	0.6
69.03341	1.1
69.25540	7.1
71.01250	3.1
72.99147	1.0
73.02824	0.7
76.35957	0.6
79.01734	1.4
83.01243	3.5
85.02810	5.3
85.62939	0.6
87.00771	0.9
89.02324	0.8
93.03325	0.8
95.01251	2.5
96.95879	2.5
97.02824	1.3
99.31806	0.6
99.61704	0.6
101.02325	1.2
103.28498	0.6
107.01268	12.1
109.02810	1.1
111.00748	2.2
113.02315	4.5
119.03367	1.0
123.00756	10.7
123.04370	0.7
124.01508	1.8
125.02328	41.3
126.02670	1.0
132.02061	0.7
133.76057	0.7
136.98805	0.7
137.02347	1.4
139.00243	4.4
140.01031	2.7
141.01805	1.6
145.02806	1.5
149.02342	1.1
150.03102	1.5
151.00267	24.0
151.03816	1.0
160.01535	1.1
161.02380	1.1
163.00267	1.5
163.03951	0.9
164.01024	1.4
165.05429	1.8
166.99802	1.7
168.00542	4.5
169.01324	49.9
171.80846	0.7
175.03954	0.9
177.05481	0.7
179.03406	1.8
180.06470	0.6
185.05908	0.7
195.06500	1.4
206.11418	0.6
211.02274	1.1
213.05461	1.3
217.94499	0.6
223.02293	1.1
227.03426	3.4
229.04973	4.7
241.05003	1.8
255.02930	8.4
256.03448	1.4
257.04459	7.8
283.04691	16.0
284.03152	14.0
285.04016	48.8
286.04401	2.9
327.05270	0.9
337.09195	0.7
373.13058	0.7
399.07114	1.0
417.08090	3.8
418.08435	0.8
431.09842	3.6
569.09302	100.0
570.09656	12.9
583.11188	1.8
715.14941	16.6
716.15387	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	714.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46364	0.9
55.79913	0.9
59.01233	1.8
70.10107	3.1
70.10516	2.0
78.91159	1.1
78.95774	26.3
80.02512	1.5
81.03323	3.2
83.04890	9.3
84.02040	1.7
95.04926	1.2
98.20580	1.1
104.58768	1.2
109.06456	1.2
135.08034	1.3
152.99478	1.8
163.11159	5.0
165.12708	3.8
168.04230	5.5
172.23918	0.9
181.12173	1.2
191.10617	2.0
209.11761	100.0
209.60176	1.1
210.12149	6.6
224.06938	4.9
227.10707	1.8
227.12842	21.9
228.13297	1.3
253.21651	2.4
277.21713	1.9
279.23276	68.8
280.23575	6.0
434.19449	1.2
504.31128	5.5
714.43451	46.5
715.43842	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	713.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02256	0.4
53.64984	0.5
60.77933	0.4
69.04414	0.3
69.59320	0.5
71.13671	0.5
71.14014	0.6
71.64797	0.4
77.63391	0.3
78.41022	0.4
78.78506	0.4
88.98673	1.1
101.01450	0.4
103.24080	0.4
105.25102	0.5
113.43419	0.4
147.69577	0.4
214.32076	0.4
277.50351	0.4
317.26004	0.4
677.49548	4.0
678.50458	0.5
713.47321	100.0
714.47589	20.4
735.23706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89214	0.5
59.01227	1.0
71.11729	1.2
78.95775	15.4
80.39452	0.6
81.03334	0.7
81.88824	0.5
83.04892	2.0
133.44945	0.5
152.99454	1.0
163.11151	1.3
165.12689	0.8
168.04225	4.6
209.11760	21.4
210.12082	1.9
224.06845	2.3
227.12860	5.5
261.22256	0.5
261.25601	0.6
263.79938	0.5
278.56293	0.5
279.23273	100.0
280.23642	9.4
452.20502	3.6
566.25354	0.7
714.43500	27.4
715.43738	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	713.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.7
59.01251	8.2
71.01244	13.2
71.11244	3.2
72.99165	3.8
75.00749	15.0
85.02814	17.8
87.00736	5.6
89.02306	2.8
90.26797	1.5
95.01244	3.1
97.02800	1.9
99.00776	9.9
103.00211	1.9
113.02332	18.2
115.00275	2.2
126.94773	1.7
140.99768	1.7
175.02330	5.0
181.12193	4.9
183.13779	3.4
207.10164	13.3
225.11253	20.9
249.06146	2.8
255.23238	57.3
256.23581	4.8
267.23184	4.8
483.84619	1.8
505.30103	6.0
547.57471	1.8
669.42480	3.5
713.41101	100.0
714.41376	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	713.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.9
57.03308	1.5
58.00459	1.7
59.01249	36.4
59.09106	0.6
61.98696	1.4
68.99680	0.7
69.03326	1.7
71.01251	30.4
71.43190	1.1
71.43510	0.7
72.99175	2.9
73.02814	5.5
75.00718	0.7
80.96029	0.6
81.03323	1.2
82.18280	0.6
83.01257	3.4
85.02821	7.4
87.00742	6.6
89.02315	28.7
91.03895	1.2
92.82108	0.7
93.03352	0.6
95.01259	1.3
97.02821	5.3
99.00760	2.5
101.02317	22.7
108.97130	0.6
109.20583	0.6
113.02324	12.3
119.03383	9.2
120.00434	0.6
121.02840	0.9
125.02322	10.7
125.03221	0.8
131.03363	1.3
133.04984	1.2
139.62511	0.6
141.01819	0.7
143.03421	4.4
149.04544	0.8
160.87631	0.7
161.04477	5.0
179.05556	5.1
201.11259	1.8
221.06631	1.9
235.08202	11.0
253.09239	3.2
255.23265	76.7
256.23633	5.8
263.07834	1.1
287.07587	3.3
293.21170	1.8
305.08698	4.0
323.09821	1.0
397.13474	100.0
398.13718	7.5
415.14532	31.2
416.15005	2.1
592.58527	0.8
653.37720	2.9
654.38220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55960	0.8
57.03323	10.3
68.99680	0.8
69.03304	0.9
69.53148	6.7
71.01234	0.9
74.86621	0.7
79.01814	0.8
81.03324	2.0
83.01247	5.4
93.03360	1.7
95.04913	2.1
96.95869	1.4
97.02817	5.4
105.74495	0.8
107.04913	1.0
108.02045	1.3
109.02830	21.7
119.04848	0.9
121.02849	3.1
123.00809	1.2
123.04411	12.3
125.02336	100.0
126.02712	2.6
131.04893	0.9
133.02870	4.4
135.04401	3.8
137.02344	25.9
139.03870	2.7
145.02831	7.3
146.03647	0.8
149.02298	7.3
150.03075	1.2
151.03899	10.9
153.01852	5.2
157.06532	1.0
159.04411	6.6
160.05145	1.8
161.02339	17.3
161.05988	6.3
162.03041	2.5
163.00284	2.6
163.03941	2.7
164.01048	9.3
165.01865	5.3
167.03374	1.8
167.07996	1.0
169.01334	17.7
169.02768	1.1
173.06007	2.4
175.03925	8.5
175.07507	1.5
177.01865	10.7
179.03377	6.2
183.04492	2.0
184.05229	0.9
185.05948	4.6
187.03906	7.8
188.04701	3.0
189.01868	1.0
193.01404	1.7
199.03986	1.6
201.05519	3.2
202.06151	2.7
203.03593	1.1
203.07088	10.4
205.01372	3.0
205.05019	8.7
209.06049	1.5
211.03926	2.4
213.05620	1.1
215.06941	0.9
217.05005	2.7
219.03020	1.2
221.08235	1.6
225.05484	1.2
227.03477	1.9
227.07098	3.5
228.04178	1.4
229.04994	3.2
237.05573	1.2
241.04980	1.3
243.02934	4.4
243.06693	1.2
245.04497	2.4
245.08134	18.3
246.08533	1.7
247.06100	1.2
253.05081	4.0
255.02968	8.5
256.03650	3.6
267.06616	1.1
269.04507	1.8
271.06113	17.9
272.06522	0.9
273.04044	1.5
273.07672	2.0
281.04523	2.8
283.02469	1.9
284.03296	1.2
285.04059	4.2
287.05606	5.9
289.07178	93.7
290.07568	5.2
297.04230	2.0
299.05591	1.8
303.05035	1.4
321.07901	1.4
329.06671	1.4
339.08524	1.3
346.94196	0.9
381.09787	2.1
389.06705	2.8
391.08121	1.4
407.07675	63.4
408.07910	6.9
409.09354	1.2
417.09763	2.0
425.08734	7.0
426.09192	1.5
433.09116	2.6
435.10977	7.6
441.08301	10.3
451.10226	10.3
543.13251	2.4
559.12329	1.5
561.14502	5.8
562.14215	1.2
577.13702	6.3
587.12067	3.3
713.14740	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	712.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28182	0.9
59.01249	1.5
64.16753	0.9
66.26294	1.0
71.01266	1.0
71.56404	1.2
78.95775	23.5
80.02529	2.4
81.03316	2.3
83.04904	8.3
95.04907	1.1
104.73315	1.1
108.67432	0.9
109.51167	0.9
125.02304	1.0
135.08090	1.0
152.99536	2.3
163.11189	6.0
165.12701	3.7
168.04199	5.7
168.49687	1.1
181.12218	1.1
191.10609	1.9
199.13541	0.9
207.82410	1.1
209.11763	100.0
210.12064	5.2
224.06900	4.5
227.12831	20.8
277.21701	54.7
278.22025	2.7
304.43713	1.0
321.60962	1.0
322.48047	1.0
434.19312	1.1
502.29117	5.1
507.84579	1.1
706.15070	1.0
712.41846	38.2
713.42279	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	712.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97068	0.5
59.01260	1.3
59.37289	0.5
67.33107	0.5
71.01259	0.7
71.56561	0.7
78.95774	16.5
81.03329	1.2
83.04881	2.9
85.59418	0.5
96.96884	0.5
118.88173	0.5
125.02341	0.5
130.73627	0.5
152.99547	0.6
163.11160	1.2
165.12769	0.9
165.55432	0.5
168.04222	4.3
197.11708	2.2
198.12029	0.8
209.11769	26.1
210.12083	1.4
224.06856	2.1
227.12794	5.9
277.21710	100.0
278.22052	7.8
295.22845	0.7
335.81656	0.6
434.19577	1.5
452.20447	3.5
502.29419	0.5
619.19171	0.6
712.41907	28.0
713.42194	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	711.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.0
59.01249	24.7
61.98697	0.7
62.61166	0.6
63.62982	0.5
69.03322	1.8
71.01244	3.2
73.02811	0.8
75.00748	1.5
78.95776	1.9
83.04870	0.6
85.02804	0.9
87.00745	1.6
89.02309	2.1
101.02290	3.3
101.68923	0.6
108.62673	0.6
113.02338	1.9
116.92744	1.4
119.03399	1.1
125.02316	1.5
125.09587	0.8
133.57236	0.5
143.03383	0.6
149.09479	0.5
161.04428	1.7
167.10678	2.0
179.05513	0.6
179.10735	0.9
179.14320	2.3
187.10680	0.5
189.95229	0.6
195.13843	6.8
196.14201	0.7
197.11777	1.9
198.12015	0.9
205.12260	6.6
209.11766	100.0
210.12120	6.1
211.13255	0.6
223.13341	80.9
224.13663	4.8
235.08180	6.6
253.09265	8.7
293.21201	1.2
294.21338	0.7
295.22629	0.7
384.44965	0.6
441.21323	4.8
445.20657	3.9
459.22293	9.6
460.22522	1.0
651.33740	3.1
711.39581	1.2
712.41003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80631	0.3
57.03304	0.7
59.01251	3.5
69.03323	1.8
70.09748	1.6
71.01252	2.6
71.04874	0.8
73.02824	0.4
74.10487	0.3
83.01266	0.4
83.04885	0.5
85.02833	0.5
85.06467	0.4
87.00780	0.5
89.02317	2.0
95.04891	0.4
97.02850	0.3
97.06478	0.4
97.59046	0.3
101.02309	2.3
103.00193	0.3
109.06448	0.3
111.10892	0.3
113.02328	1.3
119.03418	0.6
125.09602	0.6
138.27821	0.3
145.04889	0.3
149.09576	0.4
161.04440	0.9
167.10678	2.2
177.12695	0.7
179.05534	0.7
179.10663	0.6
179.14308	2.7
185.11751	0.8
195.13835	8.6
196.14235	0.5
205.12280	8.3
206.12535	0.4
209.11755	0.8
211.13330	0.3
223.13339	100.0
224.13684	5.3
235.08192	2.9
253.09293	4.8
253.21667	0.6
265.14484	0.4
265.18121	0.4
288.95654	0.3
397.13504	1.4
411.25491	1.0
415.14221	0.4
420.86774	0.3
429.26453	1.0
441.21249	2.1
459.22327	15.6
460.22382	1.7
621.33228	0.5
647.34406	2.2
665.35150	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	711.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47875	2.3
59.01251	21.3
71.00913	3.3
71.01254	18.8
71.05178	4.1
71.05543	2.1
85.02809	3.7
87.00785	3.9
88.33079	1.9
89.02312	23.0
94.81740	2.0
97.02824	2.5
101.02334	14.6
113.02344	8.0
119.03431	5.7
125.02335	7.8
143.03345	3.7
161.04492	4.3
179.05469	4.5
195.13817	3.8
205.12311	3.4
223.13341	56.8
224.13661	3.1
227.49123	2.5
235.08221	12.9
253.09221	3.5
253.21724	10.8
277.21744	41.7
277.24472	1.8
278.22052	3.5
336.61139	2.6
397.13510	100.0
398.13739	8.3
415.14502	33.5
416.15094	3.7
459.22278	6.1
618.00378	3.1
675.35907	6.4
711.33698	28.0
712.34442	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	711.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05102	1.3
59.01241	4.4
65.00172	1.9
68.82584	1.1
71.01244	3.8
71.56950	1.2
71.78797	1.2
77.29250	1.3
83.01248	2.1
89.02309	4.9
101.02241	1.5
107.01275	3.4
107.30984	1.3
109.02796	1.5
119.03432	1.6
120.29346	1.5
121.02820	2.6
125.02317	5.1
151.00276	12.0
151.81776	1.2
159.04361	2.3
163.00186	1.7
169.01279	1.8
178.99760	8.8
179.05486	2.7
227.03459	5.4
227.33661	1.4
243.02910	10.7
254.02180	3.5
255.02942	28.9
256.03235	1.4
271.02448	56.9
272.02731	4.8
299.02060	3.4
300.02722	100.0
301.03424	45.6
302.03772	3.3
369.13113	1.3
463.08713	8.2
505.02783	2.8
505.09833	30.5
506.10031	3.2
555.41229	1.4
579.13513	2.3
663.12799	1.5
667.15155	39.3
668.15454	6.0
711.11334	3.5
711.22083	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	2.2
59.01252	5.5
70.06404	2.0
71.01250	6.4
72.99177	1.0
73.02817	2.1
75.00699	0.9
78.95777	2.8
81.03327	0.8
83.01267	0.9
83.04889	1.2
85.02825	2.9
87.00757	2.5
89.02325	3.1
89.11537	0.6
93.35683	0.6
95.01252	0.7
95.04895	1.8
97.02800	0.7
97.06464	9.1
99.00764	0.8
101.02323	6.4
113.02338	3.5
125.09607	1.0
132.04433	0.7
133.10107	1.4
145.04936	0.7
149.09569	1.0
151.11186	21.7
152.11543	1.2
152.99495	3.1
161.04475	1.2
169.12253	62.9
170.12518	3.2
171.10223	0.7
177.91934	0.8
195.10245	3.7
199.13312	3.6
199.67281	0.6
211.13358	2.2
212.13702	0.9
213.11314	9.5
214.11691	0.8
227.12811	1.0
235.08195	2.5
253.09225	4.6
255.23254	2.9
275.20166	0.8
277.21701	77.6
278.22067	7.1
334.79102	0.8
431.19235	3.7
449.20435	4.4
455.16559	1.2
463.80484	0.8
691.38489	1.8
709.41620	100.0
710.41864	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.8
58.00458	0.5
59.01250	6.1
65.32259	0.4
69.03328	0.6
71.01255	6.2
71.12273	0.9
72.99168	0.6
73.02425	0.3
73.02823	1.4
78.95784	1.6
83.01270	0.7
83.04923	0.5
85.02825	1.8
87.00739	1.0
89.02320	5.4
95.04920	0.7
97.06478	3.7
101.02332	4.5
113.02320	3.0
119.03416	0.8
133.10251	0.4
149.09657	0.6
151.11182	13.2
152.11517	1.0
152.99484	2.5
161.04495	1.0
169.12250	100.0
170.12584	4.6
171.10208	0.6
195.10191	1.9
199.13187	0.8
211.13284	1.4
213.11272	12.9
225.11159	0.5
227.12866	0.6
235.08215	1.1
253.09265	3.8
255.23254	1.6
265.16583	0.4
277.21713	24.6
278.22107	2.5
306.66055	0.5
395.30069	0.5
405.21161	0.5
431.19165	2.3
449.20264	9.0
450.20709	0.7
455.16690	1.1
547.36572	0.5
691.37921	1.4
709.41638	83.1
710.41901	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	709.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
59.01251	3.4
61.98698	0.2
68.93036	0.2
69.03325	0.7
71.01251	3.5
72.99171	0.3
73.02849	0.6
73.85347	0.2
78.95775	0.6
83.01263	0.5
83.04888	0.4
85.02837	0.7
85.06482	0.2
87.00753	0.6
89.02314	2.3
95.01278	0.3
97.02852	0.2
97.06480	0.2
99.00729	0.4
101.02329	3.0
103.91908	0.3
111.08121	0.3
113.02334	1.5
113.09642	0.3
119.03398	0.8
125.02356	0.7
125.44234	0.2
141.09123	0.4
143.03369	0.3
145.04898	0.2
152.99440	0.3
153.09085	0.6
153.12724	1.2
161.04454	1.3
169.01297	0.4
169.12257	6.0
170.12515	0.3
171.10146	0.4
179.05553	0.3
179.10651	0.8
179.14314	0.4
181.12340	0.2
195.13843	5.4
196.14226	0.3
197.11763	100.0
198.12088	5.0
199.13322	0.2
205.12302	0.4
205.15831	0.3
209.11743	0.6
211.13333	1.2
215.63930	0.2
223.13354	4.0
228.13622	0.3
231.21082	0.3
235.08194	3.0
253.09264	13.4
254.09546	0.5
256.13193	0.7
263.20148	0.3
265.21921	0.4
267.19702	0.6
275.20148	4.3
276.20520	0.5
279.19617	0.4
293.21216	59.4
294.21548	5.1
390.89017	0.2
433.20761	4.1
434.21286	0.4
439.06564	0.3
473.32590	1.0
492.22101	0.4
529.29956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	4.2
69.03310	0.7
69.17887	0.4
71.01245	2.8
73.02807	0.5
76.86190	0.4
78.95785	0.7
83.01254	0.5
85.02810	0.8
87.00774	0.7
89.02323	2.2
90.40324	0.4
98.20537	1.0
101.02319	2.9
102.90582	0.4
106.02207	0.4
113.02322	1.9
119.03370	1.0
119.20686	0.4
119.56181	0.4
119.95287	0.5
123.08096	0.4
125.02302	1.1
141.71812	0.4
146.01852	0.4
152.99442	0.7
153.09026	0.6
153.12746	1.5
161.04466	1.2
169.12254	5.8
171.10139	1.4
179.10712	0.7
195.13835	3.4
197.11766	100.0
198.12088	4.2
205.12468	0.5
209.11621	0.7
211.13284	1.5
223.13361	2.8
235.08203	3.3
253.09258	11.2
254.09566	1.0
256.13162	0.7
263.20123	0.5
275.20132	5.2
279.19669	1.1
279.23257	0.9
291.19604	0.6
293.21216	43.6
294.21521	4.0
332.00040	0.4
358.35611	0.4
378.74268	0.4
433.20776	4.6
434.22104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	15.5
71.06573	6.7
71.06909	12.5
91.53627	5.6
109.65302	5.9
134.21919	6.4
199.09726	19.9
207.10239	10.6
209.11673	8.6
211.13347	100.0
212.13637	7.2
225.11070	7.2
253.09196	6.0
326.00665	6.4
382.70303	6.0
447.22131	14.7
468.55542	8.4
709.35803	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3926
Annotation	Myrtucommulone H
Peak:m/z	Relative Intensity
59.01247	3.4
63.36850	2.1
78.95770	58.2
81.03296	1.9
83.04872	6.6
96.96834	7.3
98.19633	3.6
125.09585	4.1
127.11143	6.0
143.03432	1.7
143.67551	1.6
152.99478	76.0
153.00714	4.0
155.10669	2.8
163.11140	3.4
165.09100	2.3
165.12791	2.6
171.00520	9.2
171.10135	6.0
199.09695	2.7
201.11241	75.7
202.11491	3.5
209.11768	84.7
210.12042	3.5
211.13354	12.6
212.13617	7.4
215.02724	1.7
225.11201	3.1
227.03134	5.6
227.12930	11.0
253.21672	18.5
255.23256	7.5
277.21732	10.5
278.22009	6.5
279.22397	3.2
338.60321	2.1
348.06604	1.6
363.12054	2.9
373.01633	1.9
381.12814	5.4
400.52368	2.1
415.53033	2.0
416.24210	2.1
437.15588	3.9
455.16949	17.0
473.17902	65.8
474.17908	4.5
508.10275	2.1
576.04388	2.2
600.09259	1.9
691.37726	13.1
709.39160	100.0
710.39758	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	709.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	60.3
69.59924	5.4
71.01247	21.3
74.26296	5.3
78.95786	16.1
89.02285	5.4
96.95847	7.4
109.06483	6.8
113.69887	5.6
116.92751	6.6
145.47580	5.6
169.12285	8.7
171.10147	9.8
183.13814	26.8
197.11772	100.0
198.12160	6.4
199.09680	27.7
201.11119	5.8
207.10236	10.0
209.11771	37.1
211.13301	63.3
215.93610	6.7
223.13358	7.4
225.11369	6.7
227.12782	10.4
235.08127	10.9
253.09229	20.0
291.19687	7.9
293.21207	40.1
388.27765	7.1
433.20282	8.1
435.18335	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	709.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18612	0.7
51.39244	0.7
57.38229	0.8
59.01252	1.9
63.77502	0.8
83.04895	2.4
89.02326	1.1
94.78092	0.9
101.02307	1.1
107.55222	0.8
138.89909	0.8
163.11209	1.8
165.12810	1.6
182.43036	0.8
209.11760	100.0
210.12148	3.9
227.12814	26.6
228.13101	1.2
228.27632	0.7
235.08118	2.2
253.09251	6.9
445.20691	5.1
463.21933	1.0
636.90552	0.9
637.32385	1.8
709.32166	13.9
710.31891	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	709.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49330	1.1
59.01251	8.7
69.03316	1.3
71.01249	11.2
71.57109	1.7
72.99175	1.2
78.95770	7.8
81.43835	1.0
83.04905	2.6
87.00770	1.4
89.02322	4.1
96.95905	2.1
96.96867	1.4
97.02848	3.0
99.00820	1.9
101.02328	6.0
109.06494	9.2
113.02309	3.5
146.02986	1.2
150.64331	1.2
152.99506	3.5
161.04485	1.4
163.11188	4.3
165.12914	1.3
171.10139	2.8
183.13869	11.8
185.11739	2.4
193.12202	1.9
199.09700	1.6
207.10214	28.8
208.10532	1.5
209.11801	7.1
211.13324	100.0
212.13702	5.8
215.45529	1.3
223.13417	3.1
225.11292	15.6
227.12828	2.7
235.08180	5.1
237.19301	1.3
253.09273	9.5
343.31012	1.3
373.23758	2.6
375.21609	1.9
391.24893	2.2
401.23325	5.2
419.24478	2.8
443.18939	2.2
447.22433	3.9
461.20300	5.3
609.32745	1.3
637.32343	4.8
655.33441	11.0
656.33948	2.4
709.33472	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	708.4457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.3
70.85165	2.4
70.85503	1.9
71.01266	1.9
72.49523	1.1
73.73834	1.1
78.95768	30.8
78.96207	2.3
80.02528	2.3
81.03334	1.5
83.04873	8.1
85.02827	1.2
92.11514	1.1
95.04932	1.5
99.44081	1.0
109.06484	2.1
126.30885	1.4
130.29778	1.1
152.99496	6.2
154.02649	5.7
163.11191	6.8
165.12756	5.0
171.00616	1.1
171.10030	1.4
181.12199	1.7
183.13748	1.2
191.10757	2.2
199.13361	2.9
202.91566	1.3
207.10022	1.6
209.11749	100.0
210.05356	5.1
210.12079	3.2
211.13315	16.6
212.13602	6.4
223.13263	5.9
225.11290	2.3
227.12819	25.1
253.09384	2.2
255.23239	61.4
256.23529	3.3
277.21674	15.0
278.22095	8.1
360.03522	1.4
453.15396	2.1
454.15622	1.9
455.16568	1.5
466.29590	2.4
649.59222	1.3
676.42017	15.0
677.42242	1.4
690.36462	2.1
691.37939	3.1
708.44647	39.0
709.44324	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	708.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76767	1.1
59.01249	3.1
60.12757	1.1
62.62336	1.1
65.54176	1.1
71.01237	1.9
71.56149	1.7
78.95775	45.2
80.02567	1.6
81.03358	1.3
83.04902	7.5
83.87791	1.1
84.02074	1.9
96.96806	2.4
101.02370	1.2
109.06493	1.8
122.63441	1.4
125.09627	4.7
127.11150	8.5
135.08025	1.3
137.09612	1.4
139.11209	1.2
152.99487	34.1
155.10692	3.0
163.11188	5.9
165.09140	1.9
165.12817	4.0
168.04225	5.7
171.00598	4.3
171.10202	5.1
179.10594	1.1
181.12108	1.1
183.10243	1.4
185.11858	1.2
191.10774	1.5
197.48535	1.1
199.09700	2.7
201.11250	80.4
202.11659	2.4
207.10275	1.3
209.11761	100.0
210.12166	5.3
211.13332	19.4
212.13626	8.3
224.06938	4.1
225.11325	3.4
227.03183	2.5
227.12830	18.6
245.13841	5.5
253.09393	2.0
253.21703	7.2
255.23251	70.4
256.23706	4.4
277.21689	13.5
278.22031	9.7
342.37216	1.1
381.13284	1.6
452.20886	1.7
454.15561	1.7
455.16632	3.4
471.16550	2.0
472.16931	2.1
473.17938	21.4
480.31018	2.4
690.43781	12.8
691.38861	3.8
708.44885	59.3
709.38513	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88432	0.1
59.00954	0.1
59.01249	2.8
60.96046	0.2
69.03296	0.2
70.32382	0.6
71.01247	2.0
73.02802	0.5
75.50618	0.1
78.95788	0.2
81.03362	0.2
81.15814	0.1
83.01250	0.2
83.04888	0.2
85.02812	0.6
86.70341	0.1
87.00764	0.4
89.02322	2.1
95.01267	0.3
98.19857	0.2
99.00848	0.2
101.02312	2.0
113.02339	1.1
119.03387	0.5
143.03380	0.3
152.99500	0.2
155.10680	0.2
161.04413	0.9
165.12741	0.2
167.10675	0.4
167.14325	0.5
179.05473	0.4
181.12111	0.2
183.13818	6.3
184.14212	0.3
193.12283	1.3
211.13326	100.0
212.13670	5.6
225.11299	0.2
233.22687	0.3
235.08215	1.7
253.09236	6.5
254.09537	0.2
275.20120	0.4
277.21701	54.2
278.22055	4.7
312.33563	0.1
429.21292	0.7
447.22305	3.9
447.28079	0.3
448.22662	0.4
494.51840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82279	0.3
55.03748	0.3
59.01251	2.9
69.03326	0.4
69.64211	0.3
70.85446	0.6
70.85816	0.6
71.01250	3.3
83.04899	0.4
87.00743	0.8
87.11198	0.3
89.02307	1.6
89.06686	0.3
101.02322	2.7
113.02313	1.1
119.03371	0.3
152.99527	0.4
161.04463	1.3
167.14297	0.6
179.05608	0.4
183.13817	6.7
189.16484	0.4
193.12267	1.6
196.68253	0.3
211.13327	100.0
212.13651	5.1
235.08185	2.6
253.09248	7.6
277.21704	67.9
278.22025	5.9
325.58307	0.3
429.21353	0.7
447.22281	4.5
448.22989	0.5
635.08911	0.3
671.72906	0.3
697.88855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78697	0.2
54.28499	0.2
57.13308	0.2
58.00472	0.2
59.01247	3.0
69.03322	0.5
71.01248	2.8
72.99184	0.3
73.02824	0.9
78.95772	2.4
83.01265	0.3
83.04893	0.7
85.02830	0.7
87.00758	0.3
89.02306	1.6
90.70268	0.2
91.03899	0.2
95.04860	0.2
96.96846	0.2
99.00724	0.3
101.02312	2.3
106.06756	0.2
109.06484	0.4
111.25763	0.2
113.02327	1.4
119.03384	0.6
136.32988	0.2
143.03389	0.2
145.04968	0.3
152.99484	3.6
155.10667	0.3
161.04501	1.0
163.11232	0.3
167.10670	0.3
167.14326	0.7
171.00517	0.4
171.10175	0.8
179.05510	0.4
181.12251	0.3
183.13823	6.6
184.14133	0.3
193.12256	1.9
199.09666	0.3
207.10152	0.9
209.11757	1.4
210.12100	1.2
211.13327	100.0
212.13673	5.8
225.11244	1.9
226.11633	0.2
227.03133	0.2
233.22714	0.2
235.08260	1.6
253.09250	7.2
253.21675	0.7
254.09659	0.3
255.23248	0.5
263.63675	0.2
277.21698	53.7
278.22028	5.6
279.22266	0.6
379.11539	0.4
429.21625	0.5
447.22339	3.9
448.22537	0.7
453.15317	1.7
471.16266	2.2
472.16385	0.4
474.22150	0.2
689.36066	0.5
707.37408	2.2
708.38159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53613	0.3
59.01246	4.5
65.47132	0.3
71.01250	3.3
73.02824	0.7
73.63158	0.3
76.31067	0.3
78.95778	4.1
80.02533	0.3
83.01251	0.4
83.04910	0.7
85.02850	0.9
87.00771	0.4
89.02308	2.2
92.16138	0.3
95.01276	0.4
95.04873	0.4
101.02322	2.7
109.06464	0.7
113.02334	1.5
119.03412	0.4
145.04922	0.8
152.99487	4.3
153.26517	0.3
155.10670	0.4
161.04451	1.1
163.11186	0.9
167.10675	0.3
167.14240	0.5
171.00528	0.4
171.10208	1.1
181.12277	0.5
183.12361	0.4
183.13826	4.8
189.09138	0.4
193.12244	1.2
199.09709	0.9
205.19637	0.3
207.10202	1.6
209.11774	2.3
210.12065	1.3
211.13330	78.3
212.13675	4.2
225.11264	2.4
227.03156	0.4
233.22722	0.4
235.08189	5.0
243.12318	0.4
253.09256	9.6
253.21635	0.9
255.23236	0.6
277.21698	100.0
278.22052	9.5
279.22568	1.0
429.21024	1.0
435.13815	0.5
447.22141	1.1
453.15292	2.1
454.15735	0.4
471.16171	3.2
513.30280	0.8
570.13483	0.4
689.36438	1.6
690.36389	0.5
707.37762	3.6
708.37622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	7.8
59.01247	27.7
61.98700	3.3
68.99691	4.2
69.03319	4.4
70.85546	5.4
71.01252	11.1
78.95787	9.7
82.95290	12.0
83.01266	3.2
83.04893	5.4
85.02805	4.1
87.00767	3.8
89.02307	6.3
93.03341	3.0
96.95856	1.9
97.06465	2.6
99.00781	2.1
101.02312	8.1
106.04136	7.5
107.04898	5.6
109.06461	5.0
113.02325	4.9
113.72013	1.6
119.04842	2.3
138.03116	3.1
139.44086	1.6
149.09645	2.1
152.99449	3.1
159.11682	2.0
160.46509	1.8
161.04407	2.4
167.10672	6.6
177.12776	22.3
179.10768	2.3
179.14317	5.3
195.13823	42.9
197.11745	2.5
203.10715	19.8
203.14409	3.7
205.12292	12.3
209.11737	6.2
221.11763	19.6
223.13336	100.0
224.13661	6.1
229.12268	9.0
235.08229	8.5
237.14886	32.6
247.13338	52.9
248.13789	3.7
253.09206	10.5
265.14429	11.5
276.01880	1.9
293.21320	3.4
429.91910	1.9
457.20932	3.9
459.22278	8.7
465.21194	3.1
473.24054	2.8
483.22552	10.2
501.23639	6.0
626.53156	2.1
663.34491	2.8
689.35480	7.6
707.36432	68.8
708.36792	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	707.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22605	1.2
56.39197	1.2
57.03324	3.1
59.01250	29.2
61.98684	2.7
69.28673	9.8
69.29075	2.3
71.01252	30.5
71.01633	1.0
72.99182	2.9
73.02805	2.6
77.45242	1.1
78.95768	5.7
80.96349	1.7
83.01264	3.3
83.04869	1.6
85.02831	6.3
87.00760	6.2
89.02315	25.8
95.01256	2.3
95.04906	1.7
97.02820	4.0
98.19701	2.4
99.00742	2.3
101.02318	21.9
109.02900	1.4
111.08028	11.3
113.02353	9.3
119.03387	8.9
125.02327	8.9
143.03371	3.9
144.99478	1.0
152.99507	2.8
161.04446	5.0
167.10692	2.3
171.10153	1.9
177.12715	3.8
179.05519	4.5
179.10625	1.5
195.13857	6.7
196.64856	1.4
209.11792	2.0
211.13321	4.8
212.13678	1.9
221.06531	1.5
225.11075	1.4
235.08220	7.9
247.20517	2.2
258.89566	1.2
291.19644	100.0
292.19962	8.3
309.20605	1.5
397.13477	13.7
415.14630	12.5
507.86688	1.2
707.32697	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	707.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01729	0.7
55.80864	0.4
57.03302	2.0
58.00452	1.3
58.23096	0.6
59.01249	19.2
69.03320	1.7
71.01250	25.3
71.04875	1.1
72.01006	0.5
72.99177	1.5
73.02827	2.9
73.58775	0.6
74.99535	0.5
78.95782	1.2
81.03318	0.9
83.01237	1.9
83.04906	1.5
85.02808	3.1
85.46375	0.5
85.93548	0.5
87.00755	3.0
89.02308	15.4
95.01257	1.1
96.95889	1.3
97.02829	3.2
97.06441	0.8
99.00767	1.7
101.02321	12.7
109.06483	0.7
111.08024	0.8
113.02324	5.3
119.03386	4.3
121.02872	0.8
123.04329	0.6
123.08053	0.6
125.02327	5.7
125.09593	1.5
135.04376	1.0
137.09601	1.1
141.01846	0.8
141.12703	0.7
143.03424	2.7
149.09625	0.5
160.50652	0.6
161.04471	2.4
161.09561	0.5
163.11200	3.8
165.05463	0.6
165.09056	0.7
165.12753	5.1
169.01295	0.7
169.12161	0.7
170.12529	0.5
171.10182	10.9
179.05559	4.4
179.14369	1.2
179.93896	0.5
181.12279	2.2
183.13866	0.9
185.11765	2.9
193.15935	1.5
197.11765	4.5
199.09657	1.3
199.13373	1.2
201.11261	5.0
207.10214	2.2
209.11763	16.3
209.15263	1.2
210.12144	1.1
211.13371	1.6
213.11281	1.0
221.06509	0.8
223.13310	1.7
225.11279	3.1
225.14980	1.0
227.12939	2.6
228.13145	0.6
229.78278	0.6
233.15463	0.9
235.08261	4.7
247.20656	5.5
251.16475	1.5
253.09267	2.8
273.18536	3.4
291.19650	55.1
292.19986	4.1
305.08774	1.3
309.20697	100.0
310.21100	7.5
370.27634	0.5
397.13501	21.4
398.13940	1.5
415.14545	26.3
416.14752	2.7
689.34119	1.6
707.35553	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	707.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	29.1
61.98698	63.2
68.90540	8.1
69.52666	23.8
69.53091	47.2
71.01246	28.5
78.95779	28.6
79.25631	8.8
96.95861	10.1
101.02361	12.7
125.09533	9.2
134.93857	9.8
152.99500	15.6
164.11482	9.7
183.13812	32.9
185.11801	34.9
190.89793	10.1
197.11833	31.6
198.12073	19.4
199.73647	8.3
209.11617	18.1
211.13368	100.0
223.13307	63.8
225.11111	8.9
227.12881	13.0
235.08290	10.2
253.09280	17.8
360.43842	9.3
396.15039	11.7
447.22287	13.8
459.22189	15.9
500.88821	10.0
627.34229	11.8
653.35504	16.7
657.34814	34.4
707.34039	72.6
708.35657	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52412	0.1
52.09012	0.1
52.37875	0.1
59.94645	0.1
71.58170	0.1
71.58551	0.1
78.95768	0.5
79.95605	2.8
96.95885	100.0
97.95824	0.2
103.00234	0.1
107.01244	0.1
109.02789	0.1
111.50929	0.1
125.02282	0.4
126.90273	0.1
137.02260	0.1
151.00237	0.3
169.01295	0.1
178.99774	0.2
179.03543	0.1
255.02959	0.5
271.02289	0.7
283.02502	0.2
285.04041	0.1
299.01935	0.2
300.02698	2.0
301.03513	1.9
302.03885	0.2
447.09305	3.8
448.09698	0.3
567.09875	0.1
591.13641	0.5
690.11133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.5
57.03320	14.6
59.01234	0.9
65.00196	0.7
69.03328	0.5
71.01262	1.1
71.58199	0.8
73.98564	0.5
78.95779	0.5
81.03330	1.0
83.01254	3.9
89.02319	0.6
89.03818	1.0
93.03313	1.1
95.04886	0.7
96.95892	1.9
97.02824	1.2
107.04839	1.0
109.02841	7.1
111.00770	0.9
117.03367	0.9
119.04906	1.2
121.02831	1.0
121.11511	0.6
123.00735	0.6
123.04408	2.1
125.02332	100.0
126.02689	2.6
131.04909	1.2
133.02841	5.6
135.04398	2.7
137.02333	19.0
138.02704	0.9
139.03854	0.8
143.04900	0.7
145.02859	6.8
146.03688	1.3
147.04402	1.5
149.02345	3.6
149.05898	0.5
150.03111	2.0
151.03926	4.4
157.02895	0.6
159.04420	5.2
161.02348	27.9
161.05957	2.8
162.02971	1.4
163.00244	1.6
163.03888	3.6
164.01050	3.8
165.01848	3.7
169.01340	0.8
171.04375	0.7
173.02383	0.5
173.06033	0.7
174.03108	1.0
175.03905	10.2
176.01097	0.6
176.04274	0.9
177.01848	16.1
178.02234	0.8
179.03471	0.6
183.04431	1.7
183.08057	1.1
185.05978	3.4
186.06596	0.5
187.03926	4.9
188.04521	0.7
193.04987	0.6
197.05977	0.6
199.03932	3.4
199.07614	0.8
200.04422	0.5
201.01894	1.5
201.05501	3.5
201.11398	0.5
202.02531	0.6
203.03452	1.9
203.07065	2.0
205.04974	0.9
209.06056	1.4
209.11778	1.6
211.03946	1.9
213.01796	0.6
213.05527	1.2
214.02739	0.9
215.03360	0.8
217.04991	3.6
219.02951	2.9
225.05521	2.0
227.03499	1.8
227.07045	2.4
229.05057	4.2
237.05539	1.2
241.05011	2.4
243.02924	12.4
243.06650	1.4
244.03468	1.0
245.04463	4.5
245.08226	0.7
251.07156	0.8
253.05075	3.5
253.08968	0.6
255.02992	7.4
255.06082	0.6
255.06509	0.6
256.03757	1.6
257.04391	0.8
261.03848	0.7
267.03049	2.4
267.06622	1.0
269.04578	2.0
269.08197	5.8
271.06104	13.1
272.06522	0.9
273.04044	4.7
276.07910	0.6
277.08420	0.5
280.03918	0.7
281.04468	1.6
281.08301	0.5
282.01813	1.2
282.04926	0.6
283.02573	0.9
285.04059	2.6
287.05591	7.5
289.07208	2.2
291.06696	0.7
297.04126	1.2
297.07574	0.6
299.05536	4.6
309.07578	0.5
309.20267	0.6
311.05521	0.9
321.07635	1.8
329.07022	0.5
363.08768	2.0
375.12466	1.8
387.08752	4.3
388.08908	0.8
389.06622	13.2
390.07147	1.6
401.10483	0.7
407.07706	11.6
408.08130	1.0
419.11316	5.5
425.09033	1.9
431.11545	1.4
433.09067	4.8
434.09164	0.6
437.08768	0.7
447.09268	0.7
493.13226	0.7
511.13867	0.6
537.11835	13.3
538.12445	1.5
555.12970	9.3
556.13214	1.6
559.12323	1.5
581.14459	3.0
582.15570	0.6
707.17450	1.6
707.33893	0.9
709.19861	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89774	0.3
78.95756	0.2
79.95614	2.5
85.56546	0.1
96.95886	100.0
97.95826	0.4
103.00266	0.2
107.01245	0.1
112.12785	0.1
119.04982	0.2
121.02794	0.2
147.80835	0.1
151.00279	0.8
155.38268	0.2
169.01303	0.1
178.99750	0.4
220.41151	0.2
232.40088	0.2
255.02950	0.3
262.41476	0.2
271.02393	0.7
299.02069	0.3
300.02695	2.0
301.03519	2.5
302.03842	0.2
447.09317	3.4
448.09604	0.4
463.08630	0.2
555.20880	0.2
609.14594	0.5
610.14496	0.2
705.97711	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52412	0.1
52.09012	0.1
52.37875	0.1
59.94645	0.1
71.58170	0.1
71.58551	0.1
78.95768	0.5
79.95605	2.8
96.95885	100.0
97.95824	0.2
103.00234	0.1
107.01244	0.1
109.02789	0.1
111.50929	0.1
125.02282	0.4
126.90273	0.1
137.02260	0.1
151.00237	0.3
169.01295	0.1
178.99774	0.2
179.03543	0.1
255.02959	0.5
271.02289	0.7
283.02502	0.2
285.04041	0.1
299.01935	0.2
300.02698	2.0
301.03513	1.9
302.03885	0.2
447.09305	3.8
448.09698	0.3
567.09875	0.1
591.13641	0.5
690.11133	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54188	0.8
55.59587	0.8
57.52666	0.9
59.01243	2.5
71.01255	2.3
71.35400	0.9
71.35737	1.5
81.03336	0.9
83.04900	4.1
89.02299	2.0
95.52536	0.7
97.90680	1.0
101.02355	1.9
113.02318	1.2
114.56158	0.8
118.84415	0.8
121.22409	0.7
125.02354	0.7
156.39171	0.9
159.10112	0.9
163.11237	3.7
165.12778	1.7
171.10173	3.0
181.12218	1.2
191.10776	0.9
209.11768	100.0
210.12148	5.6
225.11259	1.0
227.12856	16.0
228.13203	1.3
235.08116	1.8
253.09270	6.7
445.20447	1.5
562.49060	0.9
682.79248	0.8
705.33594	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	705.37
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65922	0.5
53.60591	0.5
56.65652	0.6
57.59234	0.5
59.01250	8.3
61.98701	13.0
71.01248	6.5
71.44618	1.0
73.02810	2.0
74.46008	0.6
80.02545	1.6
80.96376	0.7
81.03336	2.0
83.01266	1.3
83.04882	6.2
84.02060	1.6
85.02831	1.6
87.00762	1.7
87.76094	0.6
89.02309	3.4
95.01252	0.8
95.04877	1.1
97.06483	0.9
99.61120	0.6
101.02324	6.6
107.04874	0.6
111.08055	1.1
113.02314	3.6
113.72897	0.7
119.03365	1.0
133.04996	0.9
142.49933	0.6
142.71669	0.6
145.04993	1.1
152.99486	0.6
158.13966	0.6
161.04443	2.4
163.11182	4.0
165.12755	11.6
166.13145	1.1
171.10208	0.8
179.05511	0.9
181.12373	1.0
183.13829	100.0
184.14148	4.9
187.51788	0.6
191.10771	0.7
209.11772	92.9
210.12155	6.2
211.13342	2.0
227.12820	15.8
228.13196	1.2
229.02721	0.6
235.08211	3.0
253.09296	7.8
317.95914	0.5
365.09650	0.7
445.20834	1.5
463.21808	4.3
530.15027	0.7
655.33203	1.9
673.34332	92.8
674.34753	14.2
705.37329	5.5
706.38055	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.9
57.03325	6.8
58.00467	2.8
59.01249	43.2
60.99093	1.1
61.98693	3.5
65.29985	1.0
67.38577	1.0
69.03324	3.9
71.01252	42.7
71.02544	1.3
71.34529	2.6
72.99174	4.2
73.02814	6.1
75.00727	1.6
78.95750	1.3
80.02567	2.1
80.96387	2.8
81.03310	3.9
83.01244	6.6
83.04888	2.8
85.02823	10.8
87.00751	9.9
89.02315	38.9
93.03295	1.4
95.01249	4.4
95.04916	1.8
96.95910	2.5
97.02827	10.3
97.06461	8.6
99.00755	7.0
101.02322	34.3
109.02770	2.6
109.06467	3.9
111.04417	2.4
111.08009	1.9
113.02326	17.1
116.92664	1.0
119.03403	10.5
119.04911	1.4
121.02810	1.1
123.04410	3.6
123.08076	2.3
125.02324	12.6
125.05889	1.4
125.09618	9.4
131.03375	1.6
135.08055	3.1
137.09621	2.8
141.12700	2.0
143.03387	4.9
149.04459	1.5
149.05977	1.1
151.11188	5.1
155.10684	2.0
161.04474	6.5
163.11194	12.4
165.12759	7.0
169.01392	1.1
169.12271	2.9
171.10120	9.5
177.12663	1.2
179.05539	8.0
179.10724	2.2
181.12292	8.0
183.13785	5.1
185.11754	7.2
191.10695	3.2
191.14336	7.5
193.12138	1.5
197.11763	3.9
199.13281	6.2
207.10190	13.0
208.10454	2.5
209.11771	42.1
210.12096	3.0
211.13341	19.8
215.12930	1.1
221.06584	2.3
223.13242	1.1
225.11285	21.7
226.11728	2.2
227.12862	12.1
235.08179	9.5
237.11252	5.9
243.12248	4.0
245.19058	15.0
253.09201	6.1
263.07645	2.2
263.20087	7.6
271.16992	2.4
278.33450	1.1
279.19693	1.4
281.21136	1.7
287.07614	1.7
289.18082	67.7
290.18399	6.1
297.56955	1.0
298.71619	1.2
307.19141	100.0
308.19363	9.7
323.09692	1.7
379.12039	1.9
397.08353	2.1
397.13486	43.8
398.13782	3.7
415.14551	37.3
415.19604	1.1
416.14948	2.3
607.26202	6.8
608.26630	2.2
643.29980	1.5
651.29803	2.2
655.32922	1.4
669.30298	1.8
673.34375	21.8
674.34369	4.6
687.32385	3.2
705.33734	11.4
706.34174	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	705.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35012	2.8
53.45803	2.8
58.77652	2.8
59.01249	6.1
61.98694	8.2
71.01249	13.0
78.95754	3.6
85.02795	3.1
89.09200	3.4
98.19708	6.7
125.09572	3.8
169.57936	3.4
171.10107	3.9
180.81621	3.0
195.13898	6.6
197.11621	5.2
205.12375	6.5
207.10182	4.7
209.11742	86.8
211.13318	10.0
223.13354	100.0
224.13646	7.3
225.11156	4.3
227.12834	23.9
235.08020	7.4
253.09213	10.0
270.62079	3.3
442.17096	3.6
459.22488	25.5
460.22360	6.0
651.33777	7.1
705.32373	33.2
706.33478	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	705.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.0
59.01251	2.5
65.00197	1.4
67.01762	1.3
68.99677	0.7
69.03314	0.7
69.70323	0.4
71.01249	3.0
71.07339	0.8
72.99164	1.2
77.31955	0.4
79.01756	0.5
81.03328	0.8
82.00470	0.6
83.01255	1.4
84.02022	0.4
85.02837	0.5
87.00772	1.0
89.02309	1.0
95.01231	2.0
96.95887	1.7
96.99217	0.4
97.02814	1.1
97.45759	0.4
99.00746	0.5
101.02322	1.2
104.17761	0.4
106.00533	0.5
107.01270	10.0
109.99955	2.0
111.00768	8.4
112.01134	0.4
112.24064	0.4
113.02342	1.2
121.02848	0.5
121.06486	1.0
123.00768	10.0
123.04389	0.7
124.01556	7.7
124.32135	0.4
125.02335	48.9
125.05953	0.6
126.02677	1.2
127.00249	3.2
130.29166	0.4
131.08537	0.5
136.98703	6.0
138.60756	0.4
139.00267	9.7
139.03912	0.5
140.01056	15.2
141.01802	1.3
144.05708	2.2
149.02383	0.4
149.05977	0.4
149.09605	0.8
151.00275	5.6
151.03903	4.8
151.07559	1.2
154.99782	1.3
159.08026	1.6
161.06003	0.6
163.03937	1.0
164.04573	0.5
165.05449	0.7
165.09035	0.5
166.99733	1.0
167.03378	0.5
168.00551	24.0
169.01332	60.5
170.01685	1.7
177.05467	0.6
177.09117	4.3
179.03409	0.5
179.07048	2.7
203.10730	1.3
207.02934	4.3
211.02419	12.2
212.02844	0.5
221.11824	1.7
223.06049	1.9
241.03517	1.0
253.03610	0.7
271.04578	10.8
272.04959	1.1
311.12900	0.8
313.05649	10.7
314.06088	0.6
329.13950	6.2
330.14413	0.8
331.06558	0.9
340.65515	0.5
347.14932	1.1
373.12958	2.5
384.54199	0.4
391.13962	5.3
392.13965	0.5
509.20117	1.3
535.18170	1.8
553.19226	66.9
554.19470	7.3
661.20758	0.9
705.20288	100.0
706.20593	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	704.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	0.8
61.98699	100.0
62.98407	0.1
69.39181	1.0
70.83439	0.1
71.01260	0.3
72.24696	0.1
78.95768	0.9
101.02354	0.2
137.58513	0.1
152.99518	0.4
171.10268	0.2
183.13857	0.5
184.14198	0.3
185.14444	0.1
202.72209	0.1
209.11787	0.4
211.13318	4.5
212.13657	3.9
213.13858	1.4
214.14265	0.3
253.09268	0.1
296.03000	0.1
337.88620	0.1
448.22818	0.1
449.22885	0.3
450.23441	0.3
493.18381	0.1
672.32379	0.1
683.26898	0.1
704.38458	0.2
706.34985	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	704.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35231	1.0
59.01263	1.6
60.14351	1.1
69.03313	4.6
71.01268	1.1
71.04874	2.2
71.56113	2.1
78.95774	54.5
96.96828	1.3
118.67153	0.9
123.07957	1.2
125.09567	1.5
151.11127	3.0
152.99481	14.0
153.12744	2.4
161.09598	3.3
168.04210	9.3
170.07413	1.0
179.10649	9.7
197.11758	62.3
198.12074	3.7
209.11732	6.1
223.09682	4.0
223.76230	0.9
224.06885	9.0
241.10767	40.4
242.11021	2.0
255.23267	28.2
256.23566	1.8
277.21692	10.4
312.18036	2.5
448.17419	6.8
469.14630	2.3
480.30817	2.9
704.41357	100.0
705.42688	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	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01178	15.8
51.20639	17.3
70.79922	17.3
71.56134	23.0
78.95773	100.0
82.43078	17.7
121.02899	18.3
128.08653	19.0
148.17732	19.0
152.99451	69.5
195.10173	29.0
209.11771	23.3
210.12035	21.7
221.11691	35.9
255.23248	78.9
467.16837	63.8
516.91309	21.8
519.90997	20.4
703.39453	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
59.78030	0.3
61.98701	100.0
65.98196	0.3
69.96561	0.3
70.60320	0.3
71.01263	1.7
71.57462	0.5
72.68375	0.3
78.95777	3.6
78.98465	0.5
79.95615	1.0
80.96388	6.2
83.55475	0.3
88.98713	0.4
89.02310	0.5
94.97966	0.7
98.66225	0.4
125.02373	0.5
152.98488	0.3
152.99559	2.0
163.11154	0.3
164.98512	0.5
169.12349	0.4
171.10266	0.4
190.90051	0.4
197.11757	1.0
207.10316	0.4
209.11826	2.2
211.13306	2.3
212.13745	0.8
215.28880	0.4
225.00725	0.9
225.11467	0.5
227.12822	0.4
673.33990	1.4
705.31250	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	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16802	28.3
57.35765	25.5
61.93683	29.2
70.94686	68.8
78.95756	73.3
152.99484	49.6
209.11812	45.1
221.11990	27.8
231.49841	29.6
240.53276	27.5
255.23233	100.0
256.23492	34.4
344.86713	27.4
467.16876	42.8
703.38348	55.7
704.39673	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.4
59.01252	11.4
61.98705	5.6
62.71529	0.9
68.64848	0.8
69.87125	4.1
69.87543	1.5
71.01255	11.1
71.46650	0.9
72.99184	2.3
74.41734	0.9
75.00743	8.8
78.95790	1.2
80.02560	1.1
81.03339	2.0
83.01260	1.3
83.04901	4.0
84.02030	1.3
85.02828	10.1
87.00751	4.3
89.02329	3.2
95.01256	3.2
95.04890	1.1
97.06483	1.0
98.43568	1.0
99.00780	5.8
101.02334	2.9
103.00294	1.3
113.02337	11.1
119.03423	1.2
125.02310	2.0
152.99585	1.6
161.04527	1.9
163.11165	4.1
165.12769	1.9
169.12198	0.9
171.10190	2.7
175.02490	1.3
181.12335	1.9
183.13884	5.0
193.12299	1.4
197.11778	13.6
199.13277	1.3
201.11270	1.2
207.10246	1.6
209.11771	100.0
210.12062	6.3
211.13332	65.4
211.15422	1.7
212.13681	3.2
223.13304	1.8
225.11290	2.3
227.12840	15.7
235.08112	1.8
253.09279	7.0
273.16995	1.2
295.44965	1.0
329.08691	0.9
347.38129	1.0
374.09103	0.9
433.20953	1.2
445.20615	1.0
461.20242	1.4
485.96051	1.1
554.97742	1.0
588.97266	1.0
653.32544	1.0
671.32843	30.7
672.33118	5.0
703.35522	22.2
704.36047	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	701.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.3
61.98682	2.7
69.03329	1.4
71.01251	3.2
71.04894	1.0
78.88572	0.7
78.95767	1.4
80.02553	0.8
81.03313	1.5
83.01256	1.1
83.04898	6.1
84.02033	1.0
85.02813	1.1
87.00750	1.4
89.02313	3.0
101.02314	4.7
106.55727	0.8
113.02373	1.9
129.53354	1.0
133.25847	0.8
161.04440	1.5
163.11183	2.9
165.12724	1.5
167.10681	2.7
169.12221	2.0
171.10144	6.1
179.10693	1.5
179.14268	3.3
183.13794	1.1
188.68272	0.8
195.13869	9.3
205.12256	9.2
209.11754	100.0
210.12100	4.6
211.13396	7.5
223.13338	91.7
224.13676	3.8
227.12837	17.0
228.13115	1.3
229.29021	0.9
235.08156	4.3
253.09239	8.8
261.14886	1.9
281.11008	0.9
359.54361	0.8
441.21368	1.7
445.20627	2.3
459.22217	10.6
633.32269	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
59.01258	2.2
67.69521	0.3
71.01250	3.0
73.02821	0.9
74.13341	0.4
80.02560	0.8
81.03327	0.6
83.01253	0.3
83.04894	2.9
84.02056	0.3
84.91264	0.3
85.02831	0.8
87.00753	0.9
89.02328	1.8
97.78788	0.3
99.00740	0.4
101.02326	3.1
111.40593	0.3
113.02331	1.0
119.03413	0.5
125.02356	0.3
135.08061	0.4
145.04987	0.7
151.28700	0.3
161.04440	1.1
163.11188	1.8
165.12758	1.2
181.12408	0.4
191.10760	0.6
209.11765	58.3
210.12154	2.8
227.12846	7.6
235.08168	5.9
253.09262	5.7
255.23259	100.0
256.23611	6.6
295.22882	0.4
342.12646	0.3
491.32535	0.7
574.33722	0.4
602.96179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96959	0.1
57.03312	0.1
59.01247	6.7
69.03308	0.3
71.01238	1.0
73.02814	0.3
78.95795	0.2
83.04877	0.2
85.02825	0.4
85.66238	0.1
87.00745	0.4
89.02313	1.0
92.10246	0.1
97.06453	0.2
98.20665	0.3
101.02337	1.1
113.02332	0.7
119.03383	0.2
145.04936	0.3
155.10696	0.2
161.04395	0.8
165.12817	0.2
167.10716	0.2
167.14282	0.5
179.05551	0.4
183.13821	5.4
184.14186	0.4
193.12265	1.5
211.13321	100.0
212.13670	5.1
235.08223	1.4
253.09238	4.4
308.78473	0.1
335.63760	0.1
387.25476	0.3
405.26440	0.3
429.21286	1.1
447.22321	7.6
448.22696	0.7
623.34473	1.1
641.35608	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97084	1.0
59.01249	100.0
70.62794	3.0
70.63123	1.2
78.95753	5.9
89.82735	1.2
94.24091	1.3
98.20389	1.1
147.27582	1.3
152.99493	2.2
182.30377	1.1
197.11714	1.2
209.11897	1.3
211.13365	2.7
216.99124	1.2
255.23264	5.7
277.21814	1.4
279.23474	1.1
391.22632	1.6
435.68057	1.2
437.12628	1.4
438.13174	4.5
451.14346	1.3
452.15134	2.1
481.15167	38.2
481.22147	2.4
482.15527	10.2
495.16797	9.8
496.17203	3.2
497.18344	4.2
514.14679	1.5
539.15955	2.2
540.16437	8.9
554.18005	2.9
555.18799	64.7
556.19275	10.4
567.18799	2.6
569.20679	1.7
572.15454	18.7
573.15631	3.1
586.16992	5.9
599.21362	1.5
627.21246	1.4
641.22571	26.3
642.22681	5.7
667.43817	1.6
700.41974	1.3
701.24707	47.8
702.24805	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	701.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57448	0.3
59.01250	100.0
67.48392	0.3
87.17549	0.3
120.40152	0.3
150.33812	0.3
282.67899	0.3
307.32855	0.3
437.12479	0.8
438.13382	4.0
439.13922	0.6
451.14157	0.9
452.15021	2.1
466.12314	0.5
467.13599	0.8
480.14380	0.4
481.15149	29.9
482.15601	5.2
495.16742	10.9
495.22247	0.3
496.17291	2.1
497.18372	5.2
498.18570	0.9
507.12762	0.4
509.14111	0.4
514.14850	2.2
523.15839	0.7
525.14392	0.7
539.15784	2.1
540.16437	7.4
541.16901	1.4
553.17365	0.7
554.17834	2.7
555.18842	45.7
556.19067	9.4
567.19061	0.9
572.15430	12.1
573.15961	2.0
586.17163	5.3
587.17041	1.1
599.21509	0.4
609.19800	1.2
627.20990	1.1
641.22504	21.8
642.22882	5.1
701.24622	47.3
702.24896	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	699.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81300	0.4
55.01736	0.6
59.01242	3.9
64.66767	0.4
67.31091	0.3
71.01250	2.3
71.56982	0.7
73.02822	0.7
78.50434	0.4
78.95803	1.0
79.84128	0.4
80.02541	0.6
81.03364	0.8
83.04885	2.7
84.02050	0.7
85.02815	1.3
87.00807	0.9
89.02326	2.6
96.42197	0.4
99.00725	0.4
101.02319	3.6
105.09435	0.5
109.06465	0.5
113.02328	1.3
119.03356	0.6
122.17236	0.4
135.08087	0.5
145.04976	0.8
161.04445	1.2
163.11223	2.0
165.12772	1.3
171.10120	0.6
172.79749	0.4
207.10297	0.5
209.11763	59.3
210.12073	3.4
225.11261	1.6
227.12802	7.6
235.08218	5.3
253.09270	8.0
253.21695	100.0
254.22037	7.1
255.23250	4.1
271.23019	0.5
489.30634	0.6
567.65155	0.4
699.42200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	0.5
59.01245	3.9
61.04358	0.2
69.03312	0.4
70.92097	0.3
70.92446	0.6
71.01246	3.3
73.02816	0.5
75.00742	0.5
78.95770	0.2
79.58689	0.2
83.01260	0.4
83.04931	0.3
85.02807	1.4
87.00758	0.6
89.02314	2.6
94.13927	0.2
95.01250	0.3
97.02829	1.0
99.00758	0.3
101.02322	2.5
111.08033	3.4
113.02328	2.0
119.03380	0.6
122.08169	0.2
123.08005	0.3
125.02296	0.5
125.09595	1.6
127.07549	0.3
127.11164	1.4
133.04906	0.3
137.09668	0.3
145.04967	0.5
151.11119	0.4
153.09111	0.8
153.12802	0.3
161.04427	1.0
163.11101	0.3
165.12756	0.8
167.10600	0.3
169.12283	1.4
171.10175	100.0
172.10497	3.8
179.05502	0.3
179.14246	0.3
181.12250	0.8
183.13890	0.4
185.11780	0.3
187.09680	0.4
193.12323	0.4
197.11761	15.9
198.12088	0.8
199.13303	1.0
209.11758	0.8
211.13341	3.8
223.13403	0.7
227.12819	1.0
235.08176	4.3
247.20596	0.4
253.09245	9.9
263.20126	1.0
265.18027	0.5
273.18594	0.6
291.19647	14.2
292.20062	1.3
309.20691	29.8
310.21082	2.3
385.24033	0.3
403.25201	0.4
407.19113	1.4
463.30594	0.5
527.28485	0.6
545.29620	1.0
639.33569	0.3
667.33368	0.7
668.33112	0.4
699.36639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.4
59.01249	3.7
61.61518	0.4
69.03331	0.6
70.68249	0.3
71.01255	3.5
73.02793	0.5
74.94807	0.3
78.95769	1.0
85.02827	1.1
87.00735	0.7
89.02302	2.7
97.02826	1.0
97.06460	0.5
98.20580	0.8
99.00738	0.5
101.02320	3.2
109.06457	0.5
111.08035	4.3
113.02374	1.9
119.03381	0.7
125.02323	0.6
125.09608	2.1
127.11186	1.9
137.00273	0.4
137.09604	0.4
151.11153	0.4
152.99478	0.5
153.09100	0.6
153.12776	0.6
161.04451	1.1
165.12798	0.7
169.12273	1.9
171.10185	100.0
172.10506	4.1
179.05493	0.6
181.12283	0.8
183.13821	0.7
197.11778	21.2
198.12094	1.0
199.13330	1.2
209.11812	0.9
211.13367	4.5
214.62735	0.4
223.13359	1.1
227.12726	0.8
235.08226	3.4
247.20592	0.4
249.14790	0.6
253.09251	12.7
254.09584	0.6
263.20169	1.2
273.18585	0.9
291.19638	16.1
292.20068	1.5
309.20697	31.9
310.21021	2.4
407.19174	1.3
475.07611	0.4
545.29761	0.9
700.38013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	2.2
59.01249	24.3
69.03327	3.1
71.01257	9.2
72.99174	2.6
73.02815	2.0
74.86745	0.7
75.00757	5.0
83.01247	1.6
83.04852	0.8
85.02833	5.4
87.00747	2.6
89.02322	5.9
95.01246	2.2
97.02837	1.4
99.00741	2.2
101.02330	4.6
111.08030	2.4
113.02338	8.7
115.07431	0.7
117.01852	1.1
118.47723	0.7
119.03414	1.1
125.02299	1.2
125.09601	1.6
127.11186	0.8
145.04984	1.0
153.09073	0.8
153.12776	1.5
161.04434	2.5
165.12732	1.5
167.10695	2.1
169.12233	7.2
171.10179	70.5
172.10504	1.5
175.02393	1.3
179.05495	1.5
179.10704	0.9
179.14259	2.9
181.12286	1.1
183.13872	1.6
185.11693	1.1
193.12328	1.1
195.13814	9.4
197.11761	100.0
198.12053	5.0
199.13307	0.9
205.12277	6.9
209.11763	7.4
210.12077	0.9
211.13336	21.7
212.13724	1.2
223.13336	76.1
224.13643	3.0
227.12578	1.1
235.08176	6.5
235.13426	1.0
237.14653	0.8
249.05923	1.1
253.09273	16.3
291.19620	13.5
292.20035	1.0
300.98621	0.7
309.20691	22.7
310.21164	1.5
320.27173	0.7
385.23880	3.8
403.24921	3.5
407.19446	1.1
433.20660	6.8
441.20996	1.4
459.22345	9.9
460.22916	1.0
621.32379	3.9
639.33441	4.4
667.33490	7.3
668.33167	2.0
699.35919	14.8
700.36707	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	699.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86035	0.9
54.89884	0.9
58.94629	1.0
59.01235	1.0
60.99168	3.6
71.01270	2.2
71.57670	1.3
78.95802	1.4
83.01247	1.3
88.98676	24.5
96.95896	8.0
97.25642	0.9
101.02304	1.0
106.03957	1.2
108.01978	1.8
109.02831	1.4
115.05482	1.2
119.04912	2.3
121.02844	4.6
123.00793	1.4
123.04388	1.8
125.02328	3.4
131.04926	1.1
135.04407	2.3
137.02315	1.4
145.02852	2.1
146.03636	1.9
147.04422	6.8
149.02373	2.4
149.05997	1.3
150.03151	5.7
151.03917	2.6
152.99521	1.1
158.03610	3.4
159.04414	10.4
160.05203	19.8
161.02353	1.2
161.05991	10.4
163.03908	6.8
164.04707	7.5
165.05324	1.0
169.01328	2.5
173.05960	5.2
175.07567	15.4
176.04735	1.3
177.05457	8.2
178.06235	2.9
226.06331	1.9
237.05377	1.2
238.06245	3.4
239.07030	3.7
241.08728	1.2
253.05070	2.3
254.05710	5.8
255.06480	4.4
264.07935	1.3
265.08731	1.8
266.05841	8.0
267.06592	16.0
268.07288	2.5
269.08176	20.0
270.08850	4.5
271.02557	1.1
281.08173	22.5
282.08862	6.8
283.09692	2.2
284.10483	3.8
285.11401	1.3
289.07156	0.9
294.09085	0.9
295.09677	1.1
296.06772	2.7
296.10403	2.1
300.02795	2.0
301.03470	2.1
302.08002	3.3
314.07816	5.3
316.09436	5.0
328.09473	2.3
334.60550	1.2
371.15225	1.5
401.15900	1.4
429.13412	4.6
432.15759	3.0
444.15735	8.0
447.09103	4.3
447.18207	8.5
459.18576	8.1
459.65295	1.0
462.16745	1.5
474.16849	4.2
477.11792	2.6
477.19135	74.5
478.19510	8.8
489.19177	100.0
490.19650	11.3
507.20190	45.6
508.20416	6.0
519.20258	33.3
520.20776	4.4
537.21021	5.4
681.24994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01590	0.6
61.98699	0.3
69.40468	1.6
71.01241	0.2
92.78712	0.2
98.20555	0.4
102.54568	0.2
104.68929	0.2
108.16413	0.2
110.51864	0.2
113.60832	0.2
121.02840	2.0
163.11218	0.2
171.10178	4.2
185.11818	0.3
191.03514	0.7
209.04477	1.5
209.11891	0.4
211.13483	0.4
217.00179	0.3
245.19215	0.2
253.09357	0.4
289.18085	1.7
307.19220	0.5
356.02563	0.2
374.99155	0.2
382.26169	0.2
382.36166	0.2
401.09067	0.2
593.13080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25401	1.6
59.01250	52.5
62.75574	1.6
71.01256	13.0
71.36671	3.2
72.40807	1.5
72.99167	1.9
73.02817	3.6
83.01273	2.8
85.02823	3.3
87.00738	6.4
89.02302	4.9
99.33887	1.8
101.02331	10.0
113.02307	6.5
125.02346	1.8
145.04968	2.9
147.69609	2.1
161.04399	3.2
171.10104	2.3
185.11746	2.6
201.37662	2.0
209.11810	1.9
211.13350	7.1
235.08061	8.1
239.16586	1.7
247.13148	2.0
254.12720	1.7
264.64185	1.9
291.19757	3.8
337.25403	3.3
355.26373	7.9
371.26022	4.6
381.24304	8.7
399.25345	38.4
400.25812	2.8
417.26404	23.0
418.27112	2.6
501.41721	1.8
529.91058	1.7
607.34619	3.0
617.33545	6.5
635.34296	100.0
636.34595	15.8
695.36536	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	695.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37172	1.9
59.01248	58.2
61.67007	2.0
61.98691	2.2
70.01543	1.9
71.01258	18.1
71.52320	3.0
73.02794	2.9
77.86098	2.3
83.01267	2.8
85.02823	4.3
87.00760	6.4
89.02337	7.5
97.28463	2.0
101.02332	11.4
111.08045	2.2
113.02351	5.6
121.98186	1.9
125.02293	2.4
130.72795	2.6
145.04941	2.3
161.04448	4.1
169.12320	2.4
171.10179	4.3
185.11739	2.7
205.12097	2.4
209.11748	2.5
211.13365	3.8
235.08145	4.3
249.15021	2.0
266.19608	2.1
291.19604	2.4
327.26907	5.1
337.25241	3.9
355.26245	8.1
363.23260	2.6
371.25980	5.8
381.24472	12.1
389.26840	2.4
399.25394	40.4
400.25916	4.5
417.26529	19.3
418.26733	2.1
531.54352	1.9
617.33325	5.7
628.65332	2.6
635.34320	100.0
636.34595	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	693.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23063	0.5
56.81080	0.5
65.75081	0.6
69.73149	3.1
71.01282	0.6
72.99177	0.6
96.95869	0.7
119.04906	83.9
120.05225	2.9
163.03906	100.0
163.67044	0.5
164.04251	5.0
179.90668	0.5
235.11838	0.7
239.05637	0.7
241.12590	0.5
265.24472	0.7
325.09250	15.0
326.09528	1.0
334.02228	0.5
350.52930	0.5
367.16016	1.9
661.94299	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66638	0.9
53.77777	1.0
59.01208	1.4
59.89230	0.8
64.97204	0.8
66.79240	0.9
70.57989	2.6
71.04916	1.0
78.82600	0.8
78.95770	42.1
81.03315	1.3
83.04887	7.2
89.54773	0.9
96.96827	5.0
144.60521	0.9
152.99478	61.2
163.11194	5.8
165.12796	4.4
168.04134	1.0
171.00569	4.3
181.12216	1.4
191.10710	1.3
199.13293	3.2
209.11761	97.2
210.12134	7.0
211.13255	3.8
227.03195	5.6
227.12820	23.8
245.04298	2.0
253.21695	24.0
254.22011	2.5
255.23227	3.4
277.21750	1.8
302.66238	0.9
363.12192	7.9
407.47623	1.2
413.20932	0.9
437.15787	7.3
455.16840	100.0
456.17099	7.3
497.74017	1.1
691.38141	62.9
692.38336	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	691.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01921	0.4
59.01246	3.3
62.77041	0.4
70.89370	0.4
71.01245	2.2
71.13837	0.8
74.26233	0.4
80.02538	0.8
81.03336	0.9
83.01273	0.5
83.04890	4.3
84.02005	0.6
85.02824	0.6
89.02337	1.5
93.03329	0.4
95.04902	0.6
96.90105	0.4
97.02790	0.4
101.02322	1.6
113.02305	0.8
120.65128	0.4
125.02341	1.2
125.06010	0.6
125.09621	0.9
127.11174	1.0
135.08034	0.8
161.04501	0.9
163.11192	2.8
165.09123	0.6
165.12746	1.7
171.10207	2.4
181.12233	0.7
183.10172	0.7
191.10684	0.8
201.11243	22.6
202.11610	1.3
209.11765	100.0
210.12093	6.2
211.12596	0.4
225.11256	0.7
227.12827	16.0
228.13150	1.3
235.08142	2.5
253.09296	8.2
254.09633	0.7
318.81564	0.4
369.55325	0.5
375.21896	0.5
437.20380	0.8
442.74268	0.4
445.20871	2.1
481.88495	0.5
497.89548	0.5
637.32367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.8
57.03297	2.1
59.01251	5.6
60.62325	0.6
62.74161	0.6
67.36043	0.7
69.03289	0.8
69.28122	4.8
69.28550	2.2
71.01251	8.9
73.02805	1.4
81.03323	1.5
83.01223	0.9
83.04894	4.2
84.02048	0.7
84.91930	0.7
85.02817	1.3
87.00765	0.9
89.02299	3.7
95.01258	0.8
97.06469	3.9
101.02289	3.9
109.06503	1.0
113.02310	1.8
114.04005	0.7
114.16521	0.7
119.03356	1.6
125.02298	1.3
151.11191	13.6
152.11522	0.8
161.04454	1.8
163.11183	4.2
165.12772	2.1
169.12248	78.1
170.12613	3.5
171.10179	3.9
183.13818	1.3
191.10782	1.2
195.10201	1.8
201.11232	0.9
207.10124	1.4
209.11760	50.8
210.12167	3.4
211.13380	4.6
213.11249	11.2
214.11647	0.8
227.12840	5.4
235.08202	1.6
253.09215	4.7
293.21219	1.7
431.19058	1.9
449.20294	6.1
637.32269	1.6
641.32263	1.6
655.32306	0.8
659.32794	100.0
660.33118	16.7
691.35376	8.0
692.36230	1.5
716.28912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.5
57.03315	0.6
58.00459	1.1
59.01248	17.3
69.03324	1.0
71.01252	16.1
71.37924	0.4
72.01591	0.3
72.99168	1.1
73.02814	1.9
75.00738	0.4
78.95750	0.2
81.03329	0.6
83.01245	1.4
85.02820	2.8
85.03292	0.3
85.99955	0.3
87.00748	3.0
89.02312	12.0
90.02675	0.2
91.03883	0.3
95.01249	1.4
95.04898	0.4
96.12671	0.2
97.02828	2.1
98.16314	0.2
99.00745	0.9
101.02319	9.9
111.00752	0.3
111.04371	0.3
111.08018	0.6
113.02330	4.9
113.03794	0.2
113.09564	0.4
115.03871	0.2
119.03382	3.4
125.02341	3.4
131.03368	0.5
139.03822	0.2
140.00516	0.2
141.01834	0.5
142.59567	0.2
143.03372	1.8
149.04483	0.2
151.03772	0.2
161.04491	1.9
167.10687	0.4
171.10165	1.3
177.12770	0.3
179.05521	3.4
179.14258	1.1
181.12210	0.4
183.13765	0.3
185.04439	0.3
195.13835	8.2
196.14371	0.8
199.13422	0.2
201.11308	0.4
205.12279	0.6
205.15823	0.4
209.11784	0.6
211.13319	1.9
212.42111	0.2
217.07214	0.2
221.06602	0.8
223.13324	5.2
224.13806	0.3
225.11311	0.4
225.14851	0.4
228.13550	0.7
231.21150	0.6
234.49066	0.2
235.08182	2.9
239.12912	0.2
245.06474	0.2
253.09239	1.2
256.13074	1.0
257.13586	0.2
260.23474	0.2
263.07715	0.6
265.21725	0.4
275.20154	4.3
276.20490	0.4
277.09256	0.2
287.07660	0.7
293.21213	100.0
294.21527	8.8
305.08810	0.8
323.09744	0.5
379.12674	0.2
390.37711	0.2
397.13498	20.4
398.13797	1.2
415.14545	23.5
416.14731	1.6
477.56805	0.2
605.01843	0.3
654.27252	0.3
691.35114	0.8
692.35352	0.3
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
56.19724	1.9
56.82424	1.6
56.92031	1.8
58.00460	2.6
59.01241	10.8
67.43341	2.0
69.34663	20.2
71.01257	15.3
72.99168	1.9
78.95767	4.4
80.02545	2.0
81.03331	2.2
83.04890	3.7
85.02820	2.2
87.00725	2.8
88.98674	9.6
89.02314	5.6
96.95898	12.4
98.20643	2.0
101.02330	7.0
113.02330	3.7
125.02345	8.3
127.11178	1.8
137.09724	1.8
145.02808	2.1
152.99484	2.7
161.04460	3.7
163.11185	4.0
165.12740	7.8
169.01288	2.8
169.12279	2.1
171.10167	9.5
179.95479	2.6
181.12253	2.8
183.13817	100.0
184.14188	5.2
185.11760	7.4
186.68526	1.9
197.11838	3.6
199.13275	1.9
201.11258	42.7
207.10228	5.9
209.11765	68.2
210.12018	4.5
211.13333	9.2
225.11237	5.9
227.12837	17.5
235.08235	3.0
253.09341	9.9
267.29141	1.9
289.07156	3.9
306.94009	2.2
463.21478	4.3
637.32190	4.7
647.32849	34.5
648.33228	6.4
655.32782	4.5
659.32770	4.1
673.34351	60.3
674.35083	11.4
691.35175	21.3
692.35803	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	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31967	0.6
55.97524	0.7
57.03323	0.7
59.01248	15.0
69.03316	1.5
70.63615	2.0
71.01250	16.7
72.99174	1.3
73.02805	2.4
75.00754	0.7
77.83320	0.7
78.58837	0.6
78.95775	8.7
83.01251	0.9
83.04881	1.7
85.02815	2.6
86.54524	0.6
87.00750	3.3
89.02307	12.4
95.01246	1.1
97.02801	2.4
101.02316	11.2
106.18688	0.7
108.26005	0.6
109.06429	0.6
113.02322	6.1
118.12905	0.6
119.03374	3.4
121.10065	0.9
125.02303	3.8
133.45108	0.7
136.52216	0.7
137.02219	1.0
143.03383	1.7
145.02780	0.7
150.39804	0.7
152.99477	3.7
161.04443	2.4
163.11163	0.7
171.10156	5.1
179.05502	3.2
179.14250	0.6
183.13780	1.0
185.11726	1.8
194.62132	0.7
195.13824	6.6
195.44472	0.8
196.14430	1.5
197.11778	1.5
199.09789	0.6
199.13321	1.1
201.11285	1.9
205.15910	1.0
207.10184	1.2
209.11751	13.9
210.12135	3.9
211.13309	7.2
212.13708	1.4
212.31499	0.7
213.13333	0.7
223.13362	7.7
224.13678	0.9
225.11282	1.5
227.12836	2.9
228.13260	1.7
235.08188	3.0
253.09227	2.1
256.13315	0.8
263.07654	1.0
275.20157	4.4
289.07101	0.7
291.19528	0.9
293.21207	100.0
294.21530	8.1
305.08777	0.7
323.09747	0.8
363.12271	1.1
390.98581	0.7
397.13449	21.3
398.13757	2.4
415.14548	23.3
416.14948	1.7
654.27966	0.8
673.34033	1.5
691.35358	6.9
692.35461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.31
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28213	2.1
57.74358	2.0
59.01251	23.1
59.78682	2.1
63.64000	2.1
67.00975	2.2
67.02544	2.2
71.01250	67.6
71.58031	3.1
71.58459	2.8
72.99172	2.0
73.02827	4.8
77.52882	2.2
78.95773	4.9
83.01289	3.2
85.02800	5.6
87.00751	4.5
87.04369	2.5
89.02338	13.3
96.95888	4.0
97.02828	3.3
101.02309	16.3
109.06453	7.9
113.02315	8.0
119.03389	4.5
124.59602	2.3
125.02361	12.5
125.09591	3.7
134.79282	2.1
143.03391	3.3
150.03159	5.5
150.13788	2.0
161.04434	5.0
161.05956	2.6
163.11232	4.8
169.01331	4.1
169.12236	4.1
171.10182	44.8
172.10561	3.1
179.05623	2.8
181.12199	3.8
183.13809	12.0
185.11763	9.8
197.11766	7.9
199.03970	4.7
199.09702	6.0
199.13309	7.2
201.11256	12.9
207.10204	26.7
209.11777	23.0
210.12086	3.5
211.13339	100.0
212.13678	6.8
225.11305	18.5
227.12811	10.0
235.08151	13.3
235.16977	13.1
243.12383	3.3
253.09332	12.7
275.20050	13.2
285.03976	2.7
293.21222	40.0
357.24265	2.6
373.23965	2.5
383.22101	6.4
397.13467	22.9
401.23392	15.8
402.23398	2.5
415.14487	17.0
419.24295	4.9
443.18930	2.8
447.22311	2.9
447.78586	2.4
461.20190	4.1
464.99323	2.6
619.31116	10.2
637.32288	51.5
638.32581	9.9
655.33405	23.2
659.32306	5.4
673.34247	9.1
691.19934	8.0
691.33777	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	691.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76864	3.7
51.88686	3.6
59.01236	9.2
61.98707	7.7
66.38213	4.2
71.01242	9.6
71.56947	5.9
71.57317	4.7
78.95766	38.3
83.04911	5.0
84.32278	3.6
88.79678	4.0
96.96828	5.4
152.99464	21.6
165.96458	4.5
171.10205	12.1
207.10197	6.7
209.11789	100.0
210.12122	10.2
211.13368	8.6
225.11302	5.0
227.12820	12.6
235.08185	6.9
249.11014	7.0
253.09326	4.3
254.70897	4.2
291.20050	6.8
293.21194	17.3
314.77615	5.0
342.08038	4.5
397.13098	5.9
415.14429	4.5
445.20432	6.2
518.28522	4.7
673.33789	6.9
691.32507	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	691.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70411	0.4
59.01254	1.2
65.00185	0.5
65.07445	0.4
66.27928	0.5
66.40810	0.5
67.01758	1.1
69.03323	1.4
71.01247	4.4
71.10703	0.8
71.11024	0.5
72.99176	0.7
73.02801	0.5
75.70983	0.4
79.01770	1.6
81.03329	0.8
81.04512	0.4
83.01259	0.7
85.02839	1.4
88.98701	0.5
93.03363	0.5
95.01257	2.2
96.95909	0.8
96.99209	0.6
97.02829	1.9
101.02316	2.1
107.01266	13.5
108.01592	0.5
109.02809	0.5
109.99984	0.5
111.00772	2.5
113.02328	1.5
121.02824	3.8
122.03619	1.1
123.00765	15.8
123.04427	1.4
124.01553	1.8
125.02333	68.4
126.02677	1.9
127.00292	1.4
135.04388	0.7
136.01515	0.7
136.98714	1.8
137.02350	1.2
139.00259	5.0
139.03912	1.7
140.01077	4.7
141.01825	1.9
146.03610	0.9
149.02339	10.6
149.05962	0.7
150.03134	9.9
150.99103	0.9
151.00270	11.6
151.03920	3.5
152.28351	0.4
153.01845	0.9
154.99773	0.5
161.04550	0.5
162.03058	1.0
163.03922	1.0
164.04672	2.7
165.01814	0.6
165.05481	6.5
166.06252	9.8
166.99792	1.0
167.03400	1.0
167.07024	2.2
168.00557	7.0
168.09834	0.4
169.01329	100.0
170.01700	3.7
177.05460	1.0
179.03418	0.8
179.06987	1.0
180.04187	0.7
181.04907	0.8
181.08589	2.8
183.02893	7.3
193.01443	0.7
195.02805	1.0
195.06516	1.1
207.02869	0.5
211.02420	2.1
223.02412	1.0
241.03430	1.7
253.03616	0.9
255.02788	0.6
270.72968	0.5
283.09616	0.7
284.03534	0.7
297.06174	0.6
312.04883	0.9
313.05643	30.8
314.05960	2.4
314.11514	3.8
315.12210	1.3
327.07288	3.4
329.13879	4.5
330.14136	0.6
491.11911	1.8
492.12277	0.5
493.13678	1.1
509.12973	10.5
510.13483	1.7
523.14655	0.6
601.11835	1.2
691.22345	99.2
692.22723	20.4
723.38171	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	18.2
67.01765	4.5
68.01271	2.9
68.99676	1.8
69.03308	2.0
70.91620	2.5
70.91965	4.3
71.01258	7.1
77.18056	1.9
79.01774	5.5
80.91581	2.3
83.01269	2.5
87.00764	3.1
89.02334	4.1
95.01277	5.3
96.95878	47.8
98.28773	1.7
98.95483	4.4
99.00737	3.1
101.02328	5.0
107.01282	6.9
108.02054	5.1
109.02863	2.7
111.00741	9.6
111.01892	5.7
113.02354	4.2
114.03909	1.8
119.03426	2.8
120.70689	1.7
122.58322	1.9
122.59221	1.8
123.00764	42.6
123.04459	3.2
125.02325	47.2
125.03230	2.8
126.02674	2.4
127.00208	4.3
136.98727	4.1
137.02367	4.7
139.00275	16.6
139.03943	2.3
140.01060	13.2
141.01848	4.3
147.04454	2.1
149.02425	3.7
150.03096	9.7
151.00244	14.7
151.03911	2.9
163.03934	2.5
163.11166	12.8
165.05498	8.8
166.99797	10.4
168.00534	28.0
169.01318	74.3
177.04018	5.4
181.08734	2.6
183.02940	6.1
211.02394	16.1
212.02689	2.4
225.04016	2.8
271.04724	6.3
285.06296	2.4
297.06104	3.0
300.02737	4.7
301.03683	3.5
313.05661	2.4
315.86203	2.6
329.05246	5.6
381.51981	1.9
387.16495	12.3
447.09332	5.7
493.13123	2.1
494.14365	25.4
495.14935	9.0
509.16565	4.0
539.17535	26.1
540.18481	4.0
549.16016	9.6
567.17218	2.7
643.20862	6.4
644.21124	2.3
655.20898	3.3
673.21143	19.4
674.21844	5.9
691.22150	100.0
692.22211	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	691.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38868	0.5
53.63758	0.3
53.73693	0.4
54.60088	0.4
55.01758	0.6
57.03331	3.0
59.01243	0.8
60.27831	0.4
60.29948	0.4
69.03322	0.9
71.01242	0.9
71.35008	0.5
80.02516	0.5
81.03345	2.9
83.01248	4.1
93.03345	2.2
95.01260	0.8
95.04896	3.8
97.02824	8.7
98.41728	0.4
99.04398	1.0
101.02303	0.5
107.04910	0.6
108.02041	1.6
109.02833	29.4
110.03216	0.8
111.04396	0.6
121.02831	3.8
122.03623	0.9
123.00783	0.5
123.04406	20.1
124.04728	0.8
125.02334	18.9
131.04900	0.5
135.04436	2.4
137.02335	12.3
137.05920	0.4
138.03175	0.9
139.03914	3.6
143.84299	0.5
145.02852	1.7
146.03616	1.3
147.04411	0.7
149.02350	5.5
150.03110	3.4
151.03917	9.6
153.01898	0.5
157.06531	0.8
159.04443	3.5
160.05193	1.8
161.02325	1.5
161.06007	5.7
162.03148	2.2
163.03909	1.4
164.01064	4.9
165.01848	5.7
166.02588	0.7
167.03375	1.7
173.05975	1.4
174.03134	0.9
175.03947	3.5
175.07574	2.3
177.05464	0.6
179.03419	6.3
185.05988	0.8
186.06908	0.5
187.03932	5.4
188.04718	5.1
199.07585	1.0
201.05562	1.0
202.06209	2.6
203.07066	15.3
204.07408	1.1
205.03270	0.8
205.05017	8.7
212.04671	0.8
217.08583	0.8
217.29056	0.4
221.08124	4.7
227.07115	2.9
230.05801	1.0
231.02921	0.9
245.08145	21.1
246.08528	1.0
247.06096	1.2
269.10159	0.6
271.06046	1.0
287.65967	0.5
289.07162	100.0
290.07513	6.5
401.14780	2.6
420.52267	0.4
595.78040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	18.2
67.01765	4.5
68.01271	2.9
68.99676	1.8
69.03308	2.0
70.91620	2.5
70.91965	4.3
71.01258	7.1
77.18056	1.9
79.01774	5.5
80.91581	2.3
83.01269	2.5
87.00764	3.1
89.02334	4.1
95.01277	5.3
96.95878	47.8
98.28773	1.7
98.95483	4.4
99.00737	3.1
101.02328	5.0
107.01282	6.9
108.02054	5.1
109.02863	2.7
111.00741	9.6
111.01892	5.7
113.02354	4.2
114.03909	1.8
119.03426	2.8
120.70689	1.7
122.58322	1.9
122.59221	1.8
123.00764	42.6
123.04459	3.2
125.02325	47.2
125.03230	2.8
126.02674	2.4
127.00208	4.3
136.98727	4.1
137.02367	4.7
139.00275	16.6
139.03943	2.3
140.01060	13.2
141.01848	4.3
147.04454	2.1
149.02425	3.7
150.03096	9.7
151.00244	14.7
151.03911	2.9
163.03934	2.5
163.11166	12.8
165.05498	8.8
166.99797	10.4
168.00534	28.0
169.01318	74.3
177.04018	5.4
181.08734	2.6
183.02940	6.1
211.02394	16.1
212.02689	2.4
225.04016	2.8
271.04724	6.3
285.06296	2.4
297.06104	3.0
300.02737	4.7
301.03683	3.5
313.05661	2.4
315.86203	2.6
329.05246	5.6
381.51981	1.9
387.16495	12.3
447.09332	5.7
493.13123	2.1
494.14365	25.4
495.14935	9.0
509.16565	4.0
539.17535	26.1
540.18481	4.0
549.16016	9.6
567.17218	2.7
643.20862	6.4
644.21124	2.3
655.20898	3.3
673.21143	19.4
674.21844	5.9
691.22150	100.0
692.22211	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	691.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
65.14758	0.2
71.58331	0.2
77.69201	0.2
78.95775	1.4
79.95605	2.9
85.99073	0.2
87.47267	0.2
96.95886	100.0
97.95818	0.3
125.02332	0.6
169.01331	0.4
177.01836	0.2
192.51994	0.1
225.85327	0.1
255.02899	1.1
283.02475	2.4
284.03134	0.5
285.03998	0.6
333.62851	0.1
446.08514	0.4
593.15228	3.3
594.15186	0.3
691.22198	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.2
59.00948	1.9
59.01248	35.9
63.93745	1.0
64.17812	1.1
67.01752	1.2
68.80276	1.2
69.03339	1.7
70.91145	2.6
71.01251	8.1
79.95614	1.9
85.02811	3.0
89.02324	9.4
95.01258	1.7
96.04023	1.2
96.95883	76.3
97.02799	1.7
98.95457	11.8
98.96169	2.1
101.02301	8.2
107.01254	6.1
111.00787	2.6
113.02316	5.0
119.03382	4.4
119.04864	1.5
123.00751	9.5
124.01566	2.7
125.02340	43.5
126.02651	1.3
136.98605	1.4
139.00186	3.5
140.01013	3.6
145.02901	1.5
151.00258	4.0
163.11185	4.6
165.11290	1.1
168.00563	5.9
169.01329	45.7
170.01773	1.4
207.10182	13.0
211.02394	2.6
271.04730	2.5
301.04236	1.5
313.05566	2.1
387.16580	38.3
388.16806	3.7
479.15576	4.8
505.45886	1.3
514.43085	1.3
521.15881	2.1
539.17529	43.5
540.18109	5.1
691.18713	100.0
692.19135	15.8
703.76514	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01210	0.5
55.01753	0.9
57.03322	0.8
59.01253	6.3
70.08780	0.5
70.45121	2.0
71.01250	6.9
78.95772	1.5
81.47218	0.5
83.01259	0.7
83.04889	0.6
85.02820	1.4
87.00754	1.0
89.02312	3.4
92.49979	0.5
95.01243	0.8
97.06487	0.5
101.02316	4.1
109.06466	0.7
111.08054	0.9
113.02328	2.9
119.03391	1.1
152.99503	1.2
161.04443	1.5
163.11180	1.1
165.12767	10.0
167.14331	0.8
167.38525	0.6
171.10159	2.5
179.05685	0.9
183.13823	100.0
184.14120	4.7
193.12254	2.3
199.13339	0.8
201.11302	0.7
207.10234	0.8
209.11745	6.8
211.13332	83.2
212.13617	5.2
215.12854	1.8
218.07394	0.5
225.11273	1.4
227.12830	6.0
235.08093	2.7
243.12372	0.6
253.09241	5.7
381.49493	0.7
445.20654	1.5
447.22385	1.6
463.21762	3.0
657.34857	75.0
658.35193	12.0
689.37500	8.3
690.37286	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	690.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19823	1.0
78.95773	24.5
80.02541	1.7
80.40836	0.4
81.03326	3.1
83.04890	9.3
84.02045	1.6
93.07184	0.4
95.04903	1.1
96.96816	0.6
107.87382	0.4
109.06436	0.6
123.29138	0.4
125.05947	1.1
130.08057	0.4
135.08038	0.8
147.11691	0.8
152.99492	9.6
163.11195	7.3
165.12746	3.7
168.04207	7.4
171.00601	0.9
181.12263	1.3
191.10710	1.4
199.13339	1.0
209.11765	100.0
210.12134	4.5
224.06862	4.5
225.11272	0.7
227.03093	0.7
227.12833	26.5
228.13205	1.3
253.21698	3.3
255.23267	65.1
256.23627	5.5
277.21744	0.7
277.72314	0.4
309.70096	0.5
363.12039	1.1
381.34744	0.6
434.19635	1.3
437.15622	1.0
452.20389	1.4
455.16861	12.7
462.29822	0.7
480.31088	5.9
517.27625	0.5
552.31885	0.5
577.81573	0.6
614.56830	0.5
690.43475	42.2
691.38879	5.9
691.42999	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	689.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	21.8
61.98679	11.9
65.54282	3.1
67.09041	2.9
70.58494	6.7
70.58871	5.5
71.01254	21.9
78.95768	20.6
83.37328	3.6
85.02805	6.8
87.00748	6.2
89.02294	12.3
101.02316	13.4
113.02275	5.5
125.02341	5.4
139.39191	3.6
149.92293	3.5
152.99477	9.0
179.05487	5.5
209.11774	22.2
211.13268	10.1
216.55556	4.2
228.08658	3.4
235.08183	5.0
255.23277	42.4
276.98651	3.9
282.56567	3.8
297.38068	4.0
305.08707	4.9
397.13467	100.0
398.13608	6.9
415.14606	30.5
555.04834	3.9
616.29272	3.7
653.37158	13.6
657.33337	4.0
689.35040	53.6
690.35461	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	689.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.4
56.16942	0.8
57.03303	2.4
58.00451	0.9
59.01245	9.4
63.20985	0.7
68.19248	0.8
71.01252	11.2
71.04883	3.2
71.44529	1.0
73.02799	2.4
79.66951	0.7
80.02549	0.9
81.03316	2.4
83.01244	1.1
83.04906	6.0
83.17309	0.8
84.02026	0.8
85.02819	3.0
87.00762	1.7
89.02303	4.8
95.01231	0.8
95.04899	2.7
95.72755	0.8
96.95870	1.5
97.02834	3.7
97.06461	2.7
99.00752	14.6
101.02314	6.6
109.06437	3.5
113.02307	3.0
123.08021	1.7
125.02353	1.7
125.09616	6.2
127.11143	1.7
135.08031	1.6
138.91493	0.9
143.03377	1.6
153.12752	1.5
161.04431	2.6
161.09642	1.1
163.11203	17.1
165.11488	0.7
165.12758	3.3
168.60432	0.8
169.12186	0.7
171.10168	42.6
172.10477	2.2
179.05605	1.3
179.10657	1.6
181.12251	19.9
182.12627	1.0
185.11734	1.4
189.09161	1.2
191.10735	1.3
197.11668	2.2
199.09755	0.8
199.13293	10.4
201.11263	6.9
202.11494	0.9
207.10181	32.2
208.10500	1.1
209.11757	100.0
210.12111	5.5
225.11269	52.2
225.13594	1.4
226.11588	2.7
227.12813	13.5
228.13290	1.0
235.08165	3.1
243.12329	21.4
244.12627	1.6
251.12878	1.2
253.09238	8.6
291.19525	1.4
317.15915	1.0
323.09787	2.4
407.19211	1.0
443.19110	1.2
445.21109	0.9
461.20261	6.1
462.20758	1.0
479.21173	9.0
671.32861	6.0
689.33850	79.7
690.34229	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	689.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.6
58.00484	1.0
59.01251	7.4
67.01762	0.7
71.01253	38.1
72.99191	0.7
73.02814	3.8
80.02528	1.1
81.03344	2.0
83.01258	1.2
83.04901	6.2
84.02050	0.9
85.02824	3.6
85.03290	0.6
87.00761	1.7
89.02322	3.4
95.01235	0.7
95.04928	1.3
97.02815	1.7
97.06474	0.7
99.00751	2.4
100.95491	0.7
101.02330	5.1
101.62799	0.6
109.06475	5.0
110.03632	1.0
113.02320	3.0
123.08029	1.0
125.02318	1.4
125.05915	0.7
125.09615	3.1
127.11150	2.4
135.08060	2.1
137.09608	0.8
139.07585	0.9
143.03389	1.7
145.04924	0.9
155.10669	0.8
161.04446	1.7
161.09633	1.2
163.11200	9.0
165.12753	3.2
171.10178	33.9
172.10513	1.4
179.05586	0.7
181.12234	5.5
183.13809	2.9
185.11736	1.9
189.09125	1.3
191.10686	0.7
197.11761	4.2
199.13409	4.4
201.11227	17.0
201.12965	1.3
202.11621	0.8
207.08333	1.1
207.10201	16.0
209.11766	100.0
210.12128	6.4
211.13304	2.3
215.12770	1.9
221.11633	0.8
223.13367	0.9
225.11266	32.3
226.11673	1.3
227.12837	14.2
228.13219	1.1
235.08266	3.6
243.12292	3.1
251.12851	2.4
253.09251	9.8
254.09470	0.9
263.12842	0.9
291.19635	1.1
295.10251	0.7
383.04626	0.9
391.24289	0.9
397.12988	0.9
399.21811	1.2
417.23022	0.9
443.19379	1.4
445.20758	1.1
461.20331	4.6
477.81519	0.8
479.21320	1.1
598.69550	0.8
635.30060	1.1
653.31689	2.9
671.32581	3.5
689.33929	16.9
690.34393	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	689.339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	1.0
58.00449	1.7
59.01248	6.2
65.16461	0.6
70.35032	2.8
71.01254	39.3
73.02831	3.3
80.02551	0.8
81.03328	2.1
82.84872	0.7
83.01227	0.9
83.04891	6.7
84.02022	0.8
85.02800	2.8
87.00748	2.2
89.02321	3.6
95.04878	2.3
97.02827	2.0
97.06457	1.1
99.00760	3.5
101.02328	3.5
107.04899	0.7
109.06463	4.6
111.04427	1.4
113.02314	2.6
125.09628	2.6
127.11167	1.4
135.08064	1.3
139.07520	1.3
142.02573	0.8
149.09555	0.8
151.11183	0.9
155.10666	2.0
161.04439	1.3
161.09563	0.8
163.11174	7.7
165.12732	2.9
171.10178	37.0
172.10437	1.6
179.10696	1.2
181.12190	4.4
183.10120	1.2
183.13814	1.1
185.11786	2.0
189.09148	1.2
191.10719	0.8
197.11761	3.2
199.09679	1.1
199.13322	3.0
201.11249	17.2
202.11601	0.9
207.10194	16.8
208.10469	1.1
209.11765	100.0
210.12079	6.1
211.13481	1.2
215.12852	2.1
221.11685	0.8
223.13533	1.0
224.11473	0.8
225.11263	28.4
226.11613	1.3
227.12833	13.1
228.13095	0.9
235.08153	3.5
243.12289	2.9
249.11287	0.8
251.12703	1.4
253.09238	9.6
399.21753	1.2
407.19180	1.5
417.22708	0.8
461.20212	4.4
479.21356	0.9
565.67743	0.9
635.30371	1.3
653.31818	2.8
671.33032	3.7
672.33679	1.0
689.33710	12.2
690.34387	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	689.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.2
59.01248	7.1
61.98694	2.5
71.01252	43.2
71.48707	1.3
73.02818	2.6
78.95776	26.8
80.02530	1.6
80.42742	0.8
81.03310	2.1
83.01244	1.1
83.04900	5.4
84.02042	1.8
85.02818	3.2
87.00748	1.6
89.02307	2.9
93.19498	0.8
95.01202	0.8
95.04874	1.3
95.90395	0.9
96.96848	1.9
97.02834	1.5
97.06445	1.0
99.00782	2.0
99.65022	1.0
101.02324	4.9
109.06490	4.9
112.53439	0.9
113.02302	3.2
119.03355	0.9
125.09604	2.6
125.92719	0.8
127.11183	1.9
135.08041	1.0
142.02527	1.0
143.03386	1.3
149.35034	0.9
152.99474	12.1
155.10698	1.6
161.04451	2.6
163.11215	9.7
165.12752	2.7
171.10182	37.1
172.10526	2.0
176.73618	1.1
181.12238	2.8
183.10168	0.8
183.13826	1.2
185.11784	1.6
189.09149	0.9
191.10704	1.0
195.13861	2.3
197.11751	2.9
199.13274	2.1
201.11264	17.7
207.10193	14.6
208.10625	1.1
209.11768	100.0
210.12123	6.4
211.13350	11.6
215.12846	2.5
223.13284	4.4
225.11273	25.7
226.11636	1.0
227.10767	0.9
227.12834	12.2
235.08107	3.1
243.12329	1.7
251.12875	2.4
253.09244	11.5
291.19580	1.4
293.21228	2.7
295.10245	0.9
347.12524	1.0
363.12091	1.3
379.15234	1.1
395.14645	1.1
417.22919	1.4
429.20386	4.5
445.20004	3.2
447.21545	1.3
461.20313	4.2
463.20554	0.9
479.20831	1.1
653.31854	2.5
657.34155	10.0
658.34613	1.2
671.33051	2.5
689.34619	11.5
690.34155	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	687.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92853	1.0
55.98423	1.1
57.01859	1.3
57.03323	1.2
59.01244	3.0
66.40437	1.4
69.03336	2.1
69.98605	4.0
69.99020	2.3
78.95770	27.6
80.68288	1.4
96.96848	2.9
98.20453	1.9
150.38069	1.2
152.99487	46.1
162.22266	1.3
167.09378	1.4
167.10687	4.1
171.00513	5.3
179.14331	4.1
182.34805	1.2
189.24455	1.3
195.13808	10.0
205.12279	10.3
223.13336	72.0
224.13667	3.9
227.03229	3.9
253.21681	27.7
254.22197	1.8
317.44803	1.2
359.12512	3.8
378.75110	1.4
393.17664	1.5
433.16296	2.7
451.17368	100.0
452.17737	6.9
687.38678	28.9
688.39178	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	687.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01755	1.1
57.03307	2.1
58.00434	1.4
59.01247	9.5
68.42014	1.3
68.99733	1.2
69.03333	1.4
71.01255	11.2
71.58111	2.7
71.58482	1.2
71.60242	1.1
72.99206	2.5
73.02830	1.6
78.95778	1.8
80.02564	1.6
83.01257	2.3
83.04889	7.0
85.02860	2.0
87.00768	3.0
89.02332	4.6
96.95891	3.0
97.02832	1.7
97.06501	1.7
101.02328	5.6
109.06512	3.7
111.04403	1.7
113.02294	3.1
117.18170	1.2
123.04272	1.3
125.02355	2.8
125.09645	3.3
125.98038	1.2
127.11253	2.1
130.14546	1.2
137.02290	1.4
144.00169	1.5
145.04935	1.2
155.10548	1.6
161.04408	2.5
161.42001	1.2
161.63986	1.2
163.11174	3.7
165.12758	2.7
167.10704	3.3
171.10184	19.4
179.10655	3.3
181.12270	1.5
183.13828	2.8
195.13823	10.1
197.11755	4.5
201.11237	37.4
205.08577	4.3
205.12292	6.6
207.10179	6.7
209.11765	100.0
210.12138	5.3
211.13327	9.2
223.09741	5.9
223.13326	69.1
224.13661	4.0
225.11334	8.4
226.11613	2.1
227.12817	16.1
235.08167	5.4
239.12659	1.7
253.09242	16.3
279.12338	1.4
357.66446	1.4
369.00568	1.4
437.20538	1.8
445.20975	1.7
459.22546	11.2
461.19846	1.6
637.32776	1.9
669.31641	3.7
687.32324	13.8
688.33447	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	687.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90458	0.8
59.01245	13.5
60.33690	0.9
60.34623	0.8
69.03310	1.5
71.01254	8.1
71.07700	0.8
71.37567	1.1
71.37919	1.1
72.99167	1.5
73.02802	1.0
75.00741	3.6
78.95789	2.2
80.96403	1.6
83.04916	1.8
84.89059	1.0
85.02813	5.5
85.40430	0.8
87.00756	2.4
89.02321	3.2
95.01241	2.1
97.51368	0.8
99.00744	2.1
99.55462	0.9
101.02328	2.6
103.40039	0.8
107.51945	1.0
109.06504	2.0
113.02293	7.2
115.00218	1.0
152.99521	0.9
153.12715	1.1
161.04547	1.3
163.11185	1.5
167.14340	1.1
169.12173	4.2
171.10236	4.1
183.13818	7.7
184.14069	1.0
185.11745	3.4
193.12294	2.1
197.11760	76.4
198.12096	3.5
199.09598	1.3
199.13438	0.9
207.10181	3.9
209.11801	12.5
211.13330	100.0
212.13649	5.7
223.09657	1.9
223.13409	2.5
225.11284	3.3
227.12885	1.1
228.59769	0.9
235.08118	2.2
249.06003	1.2
253.09280	7.0
391.24551	1.1
415.19849	1.2
429.21564	1.1
433.20538	4.9
447.22363	7.7
461.20395	1.3
493.29926	0.9
609.32825	3.0
627.33960	1.2
643.29242	1.7
655.33136	7.2
656.34576	1.1
669.30914	2.1
687.35052	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	687.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.9
61.98693	1.1
68.63393	0.7
71.01258	3.4
71.56857	0.8
78.95776	2.6
79.95615	1.1
80.96404	5.4
83.02587	0.7
85.02812	0.8
87.00771	1.0
89.02309	1.3
94.97960	0.9
101.02317	1.4
108.00999	0.7
113.02320	1.5
130.12976	0.7
144.47835	0.8
152.99515	0.7
171.10149	1.7
181.39752	0.8
183.13834	6.1
193.12186	1.6
197.11826	1.1
207.10155	1.4
209.11790	3.3
209.16612	0.8
210.23814	0.7
211.13333	100.0
212.13716	5.5
218.62788	0.7
223.09779	1.5
223.13277	2.8
225.00577	0.7
225.11302	1.5
235.08202	3.0
253.09311	4.4
284.09796	0.9
447.22394	9.2
462.14850	0.8
493.30804	0.9
623.34668	0.8
669.30975	1.0
683.84973	1.0
687.30585	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	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.1
57.03320	1.1
59.01244	5.0
67.01736	0.6
69.03328	3.9
71.01252	5.6
71.04883	2.2
72.99181	0.6
73.02812	1.5
80.02531	1.5
81.03326	1.0
83.01265	1.1
83.04896	4.7
84.02039	1.1
85.02822	1.8
87.00751	1.7
87.63736	0.5
89.02289	2.9
89.79561	0.6
95.01214	0.6
95.04899	0.9
97.02822	1.5
97.06451	0.8
99.00731	0.9
101.02316	4.4
113.02317	1.8
119.03397	0.6
123.08044	1.7
125.02305	1.2
125.05899	0.6
125.09589	2.5
137.09550	0.7
148.81645	0.6
151.11179	2.3
153.12691	1.2
161.04451	1.5
161.09633	3.8
163.11197	4.3
165.12770	2.3
169.01389	0.6
171.10181	2.4
179.10667	7.2
181.12148	0.9
185.11681	0.7
191.10667	0.8
192.23239	0.7
197.11755	68.4
198.12056	3.3
199.13293	0.8
207.10268	2.0
209.11760	50.5
210.12120	2.7
223.09692	1.7
225.11295	2.0
227.12816	5.0
235.08267	1.0
241.10754	3.3
253.09126	3.9
361.95462	0.7
450.82803	0.6
459.18631	0.8
477.19797	3.3
531.61597	0.6
534.32300	0.7
584.63446	0.6
669.31409	2.1
687.32294	100.0
688.32538	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	687.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82925	2.4
78.95779	4.7
98.20541	8.2
116.58338	2.0
152.99461	2.6
162.93526	2.2
209.11768	3.5
255.23174	5.3
266.03989	2.3
279.23340	4.3
354.17767	2.8
438.13312	4.0
439.58893	2.2
481.15250	42.8
482.15668	12.9
495.16855	12.6
496.17285	3.6
497.18573	5.4
525.13910	2.9
539.16064	4.4
540.16296	11.7
541.16840	4.1
554.18372	3.4
555.18903	93.3
556.19153	20.0
572.15424	19.5
573.16138	4.7
586.16913	5.7
641.22443	43.0
642.22839	9.4
643.24030	8.9
687.11273	5.3
687.22992	100.0
688.23309	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.0
59.01253	9.4
60.01555	0.8
61.98700	2.0
64.44032	0.7
68.99697	1.3
69.03318	1.8
70.45174	2.6
71.01255	11.1
72.99174	2.1
73.02796	1.5
80.02526	1.7
81.03324	2.5
83.01260	1.3
83.04884	6.9
84.02021	2.1
85.02827	3.7
87.00730	2.2
89.02306	4.9
90.01722	0.8
92.44551	0.8
95.01223	1.2
95.04897	2.2
96.95890	2.6
97.02847	1.8
97.06448	1.0
97.52195	0.9
98.20423	1.0
99.00751	1.3
101.02322	8.0
103.00222	1.0
109.02853	0.9
109.06496	1.3
110.03593	1.7
111.04364	3.5
113.02328	4.2
120.99573	0.9
121.02822	1.4
122.03602	1.2
123.04379	1.3
123.07994	1.3
125.02309	2.2
125.05948	0.9
125.09597	2.2
135.08041	2.5
137.02359	1.4
143.03268	0.9
151.00200	1.1
151.11169	2.4
152.99530	0.9
153.09084	1.0
153.12775	2.3
158.09543	0.8
161.02449	1.1
161.04483	2.0
161.09689	1.1
163.11186	6.1
165.01797	1.0
165.05511	0.9
165.12733	2.6
169.12245	27.3
170.12532	1.2
171.10173	16.7
177.09062	1.2
179.10674	3.8
179.12061	0.9
181.12236	2.9
191.10727	1.7
197.11755	59.5
198.12096	2.6
199.04140	0.9
199.13229	1.1
205.08653	2.3
207.10185	6.6
209.11754	98.0
210.12067	5.5
211.13351	0.8
213.11131	2.2
223.09677	11.5
225.11263	13.6
227.12822	14.3
227.15062	1.0
235.08174	2.3
241.10750	1.7
253.09253	8.2
255.02806	0.9
271.02466	3.6
299.01971	5.1
300.02505	1.6
459.18695	2.1
541.09503	1.9
669.31329	3.4
687.14624	2.6
687.32263	100.0
688.32556	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	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.7
58.00452	0.7
59.01241	5.0
61.98739	0.7
69.03325	0.7
69.85675	3.3
71.01259	5.0
73.02815	0.8
83.04871	1.0
85.02811	1.7
87.00753	2.4
89.02306	2.2
95.04893	2.1
97.06467	18.9
101.02312	4.5
110.03639	0.9
113.02325	2.6
123.07159	0.8
123.08054	11.8
125.09609	96.4
126.09953	4.8
145.04977	0.8
152.99564	0.8
161.04428	1.6
169.08607	2.1
171.10201	1.5
187.09669	41.6
188.10036	1.7
196.43813	0.8
212.90358	0.9
226.94429	0.9
235.08255	3.9
253.09245	3.1
255.23315	0.8
277.21701	53.4
278.21997	4.5
288.80045	0.7
405.17661	7.1
423.18668	7.3
444.83408	0.7
683.40045	100.0
684.40338	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00188	1.5
57.03309	1.9
58.33433	1.2
59.01248	11.9
61.98672	1.5
65.43729	1.1
69.03312	2.9
71.01253	100.0
71.57471	1.8
73.02821	5.4
75.86588	1.2
78.95760	1.7
81.03349	1.6
83.01272	1.4
83.04914	3.4
85.02833	5.0
87.00758	3.1
89.02333	4.3
95.01288	2.7
95.04913	1.9
97.02827	3.8
97.06468	2.5
99.00757	3.5
101.02310	6.9
109.06464	6.2
113.02316	5.2
125.02321	1.7
125.09599	2.8
127.11152	2.9
135.08044	1.4
141.11551	1.1
145.10243	1.1
149.09645	2.0
153.09094	1.4
155.10672	2.5
157.08502	1.6
161.04501	3.0
161.09593	1.2
163.11269	7.3
167.10646	2.8
171.10184	33.2
177.12831	1.8
179.05455	1.3
179.10670	1.9
179.14322	1.8
181.12253	4.2
182.99171	1.2
185.11710	2.4
195.13777	6.7
197.00659	1.4
197.11703	2.1
199.13280	2.5
201.11267	27.6
202.11606	1.4
205.12227	6.1
207.10196	16.2
209.11766	40.6
210.12025	1.7
211.13382	4.8
213.11159	1.5
215.12759	2.0
221.11719	10.7
223.13341	53.3
224.13710	4.1
225.11253	28.9
227.12914	4.3
235.08182	7.3
239.12859	17.4
243.12296	4.7
247.13412	3.0
253.09271	16.4
259.13501	2.4
265.14377	2.2
395.22400	1.7
413.23309	3.7
431.24207	3.0
443.19138	2.2
457.20715	1.8
459.22348	2.7
461.20493	6.1
475.22220	1.3
531.98615	1.2
649.32770	3.7
666.40668	1.3
667.33234	6.5
668.34265	1.3
685.34430	18.7
686.34674	3.3
711.93011	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	3.9
59.01249	6.1
69.03339	0.5
71.01244	5.1
73.02822	1.1
74.41622	0.4
80.20282	0.5
83.04900	0.6
85.02798	0.9
85.42765	0.5
87.00753	0.5
89.02322	4.1
95.04919	1.2
97.06462	13.8
98.19807	1.5
101.02327	4.0
113.02306	2.1
119.03414	0.7
123.08056	6.8
125.09611	100.0
126.09940	3.4
143.10660	1.4
146.95514	0.5
149.36418	0.5
161.04480	1.1
167.10658	0.5
168.80893	0.5
169.08580	2.7
171.10202	1.2
179.05606	0.9
187.09673	71.4
188.10048	3.2
188.82797	0.5
207.49615	0.5
211.09706	1.1
253.09262	2.6
261.13452	1.3
277.21719	14.7
278.22043	1.2
379.20721	0.5
405.17679	5.4
423.18677	19.4
424.19073	1.6
435.30075	0.5
462.69476	0.4
683.40051	85.1
684.40356	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	683.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01951	0.6
55.01743	2.3
56.41304	0.6
57.03315	2.7
57.24530	0.6
57.35080	0.7
58.00457	2.7
59.01245	51.1
60.01574	1.1
60.99172	2.3
67.17200	0.7
69.02933	0.5
71.01246	43.7
72.99173	4.3
73.02812	4.8
73.26153	0.6
75.00736	0.9
83.01254	3.9
85.02818	16.0
87.00757	2.1
88.98672	18.4
89.02310	26.7
91.96615	0.6
95.01236	4.1
96.95889	1.1
97.02799	0.9
98.20532	2.6
99.00755	2.0
101.02314	24.8
103.00158	0.7
111.00766	1.1
112.09633	0.7
113.02320	21.2
116.34669	0.7
116.92787	1.5
117.92783	0.9
119.03386	10.2
125.02339	1.2
131.03413	1.2
136.62677	0.6
143.03383	2.1
149.04465	0.8
159.02850	1.5
161.04468	5.4
174.00163	0.6
179.05548	4.7
229.18057	2.0
235.23712	0.7
251.29344	0.7
255.02979	0.8
283.02332	0.8
300.02661	1.9
301.03464	2.0
359.27969	1.6
447.09448	4.0
447.56763	0.9
448.09793	1.2
472.74017	0.7
492.58557	0.7
503.32117	2.2
521.33282	14.4
522.33478	1.5
542.84338	0.8
683.38489	100.0
684.38818	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	683.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.6
59.01251	56.4
71.01257	14.1
72.99191	2.2
73.02815	4.6
78.46561	1.0
83.01263	2.9
83.04894	1.5
85.02827	4.7
87.00754	6.4
89.02312	8.4
95.01290	1.1
98.19827	2.8
99.60749	1.0
101.02311	12.4
109.06468	1.3
111.08034	2.0
113.02343	6.9
116.68913	1.1
119.03374	1.7
125.09499	1.0
135.08052	1.7
137.04584	1.1
137.09590	1.9
145.04961	3.6
161.04459	2.2
171.10181	47.9
172.10446	1.5
179.05594	1.8
183.68852	1.1
195.13762	2.0
203.14363	1.4
211.13332	1.4
223.13321	1.7
231.17564	1.8
235.08167	10.3
237.15036	1.6
239.16588	2.4
253.09296	5.7
263.16660	1.5
265.18109	1.9
275.16742	1.6
275.20160	3.3
293.21219	20.0
294.21524	1.3
315.26910	3.8
325.25330	6.7
341.24789	3.9
343.26456	4.6
351.23306	2.8
359.26035	7.5
361.27792	1.9
369.24289	10.6
370.24243	1.2
387.25412	39.8
388.25620	3.7
405.26401	30.3
406.26743	3.6
595.34686	2.5
605.33051	1.7
623.34344	100.0
624.34644	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60201	0.7
57.03321	2.2
58.00456	0.9
58.98182	0.7
59.01256	7.6
61.98689	0.9
64.67900	0.6
65.03825	0.9
69.03321	3.3
70.60371	2.0
71.01247	7.8
71.04893	2.0
72.99187	2.2
75.00745	5.2
80.02560	0.8
83.01259	1.0
83.04900	2.7
85.02821	7.3
87.00747	2.4
89.02322	2.7
93.03301	0.8
95.01252	2.0
99.00758	3.3
101.02328	3.8
109.06461	0.9
113.02338	6.6
120.22021	0.8
123.08057	1.1
124.24878	0.7
125.02271	0.9
125.09616	2.4
149.54250	0.8
151.11172	1.6
161.09641	3.1
167.10658	2.4
171.10159	1.2
175.02351	1.6
179.10715	7.5
179.14316	2.4
185.11690	1.2
195.13824	8.2
197.11765	63.0
198.12108	2.6
205.12370	4.4
209.11774	13.4
210.12227	1.0
211.13358	1.8
221.11827	1.3
223.09805	1.7
223.13353	25.8
224.13675	1.5
225.11179	1.0
227.12866	1.5
237.14935	2.8
239.12900	1.2
241.10797	2.9
253.09225	3.1
374.28409	1.0
385.23950	1.0
408.19669	0.8
459.18671	0.9
473.20276	1.3
477.19922	2.5
524.55988	0.8
619.31305	1.0
665.33600	1.7
667.74579	0.9
683.32813	100.0
684.33032	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	683.2555
Annotation	Yadanzioside E
Peak:m/z	Relative Intensity
50.05841	0.7
55.01741	1.4
57.03313	0.7
58.00443	0.9
59.00988	1.1
59.01253	13.1
69.73141	1.3
69.73549	4.0
71.01253	13.4
72.99168	2.2
73.02817	3.2
83.01258	2.6
85.02831	4.6
87.00743	2.3
89.02319	6.1
95.01257	1.4
96.95894	1.3
99.00764	2.0
101.02319	10.7
101.02933	1.4
103.43948	0.8
109.02877	0.8
113.02335	5.8
119.03374	1.8
121.02824	3.1
125.02321	1.8
145.02827	1.4
159.04413	1.7
161.04488	1.1
169.01382	1.2
179.05518	2.8
189.05394	0.7
209.27013	0.8
246.32224	0.9
263.06964	1.1
267.06592	1.4
268.07440	2.5
269.08121	3.6
270.09061	1.5
280.07318	0.9
281.08157	7.0
282.08893	2.7
283.09760	3.8
293.08145	1.3
295.09787	2.3
296.10791	0.8
297.11386	1.0
299.09225	3.8
309.11337	0.8
311.09201	3.0
311.12589	1.0
314.08087	1.8
314.11597	5.0
315.12360	3.7
323.48157	0.8
326.11575	7.0
327.12354	5.0
329.13980	10.7
341.13876	7.8
343.11835	1.8
355.11829	3.3
385.15073	0.9
413.14999	0.9
421.68567	0.8
445.14923	1.1
461.14441	1.5
473.14526	2.9
476.16809	11.8
482.02963	1.1
488.16721	4.9
491.19205	100.0
492.19534	11.2
503.19223	82.8
504.19614	9.2
521.20337	14.5
522.20551	2.1
683.25677	2.6
684.25000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	5.2
59.01250	9.3
60.99164	5.9
69.33263	20.0
72.99186	10.5
74.55082	1.9
88.98676	36.9
93.74963	1.8
103.00249	47.3
103.41259	1.9
109.02828	6.0
121.02837	2.1
123.04430	3.4
125.02325	23.6
137.02324	6.4
143.04897	4.0
145.02852	8.2
146.03604	4.5
151.00296	2.7
159.04396	7.1
160.05220	3.2
161.02382	4.1
161.05997	4.5
165.01810	4.8
171.04442	4.7
172.05211	2.2
173.05960	6.1
174.03130	9.6
175.03870	6.6
183.04439	10.2
185.05983	6.3
187.03935	10.3
188.04724	32.0
189.05498	41.0
190.05693	2.9
195.04449	2.0
198.03204	2.4
199.03917	14.8
201.05475	7.6
203.03368	3.2
203.07057	5.4
205.05005	2.6
211.03941	31.3
212.04556	3.5
213.05505	6.8
214.02579	2.7
215.03421	8.6
216.04236	2.1
217.04988	57.3
218.05455	3.7
227.03452	26.9
228.04193	5.0
229.05040	21.8
231.06573	5.0
239.03456	7.9
241.05009	6.1
243.02878	7.5
244.03609	3.4
245.04446	8.1
247.05988	3.8
253.05157	3.3
255.02911	6.9
257.04541	16.8
259.06143	6.4
260.06274	2.6
261.03976	16.4
265.96338	2.4
267.02887	4.7
271.02823	10.0
271.05884	11.6
273.04114	10.7
275.05579	14.8
276.06042	3.5
283.02423	5.3
285.04001	10.1
286.04239	2.0
289.07123	7.1
291.05179	3.6
293.07986	2.2
299.01920	9.0
300.02847	4.1
301.03549	14.0
303.05246	2.3
317.02972	5.5
319.04489	9.2
329.02884	2.9
335.04114	3.7
347.04074	2.5
365.05515	4.5
373.01730	3.5
383.07019	2.7
391.02966	4.3
395.32800	2.3
409.04065	100.0
410.04434	8.7
447.09348	10.5
501.60284	2.1
515.11292	2.6
517.74500	1.9
533.10895	2.9
543.07959	3.4
591.11780	4.7
605.09143	4.7
681.10919	95.1
682.11035	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	679.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.5
57.03313	0.8
58.00457	2.0
59.01248	35.1
60.01569	0.6
69.03323	2.4
69.55447	1.8
71.01250	34.0
72.99178	3.6
73.02818	5.9
75.00741	0.8
81.03329	1.8
83.01268	3.4
83.04889	0.4
85.02821	6.9
86.64758	0.3
87.00745	8.0
89.02311	28.0
90.02635	0.8
91.03881	0.5
93.03342	0.5
95.01267	2.6
95.04917	0.4
97.02820	6.1
99.00738	1.7
99.04380	0.4
101.02319	27.1
102.02663	0.4
103.00233	0.4
109.02832	0.7
111.00751	0.7
111.04370	1.4
113.02320	13.6
114.42345	0.3
115.03871	0.7
119.02560	0.7
119.03381	9.1
121.02852	0.7
123.04402	0.3
124.01494	0.5
125.02332	12.0
131.03389	1.0
133.04951	1.0
137.02364	0.4
139.03851	0.9
141.01831	0.7
143.03400	5.7
147.17126	0.3
149.04424	0.9
161.04456	6.8
167.03401	0.6
169.04912	0.6
179.05522	6.2
185.04494	0.5
194.21535	0.3
199.06020	0.7
203.05482	0.4
217.07056	1.1
221.06693	2.0
230.86916	0.3
235.08194	13.7
236.08493	0.5
245.06538	0.5
247.19957	0.3
251.01158	0.4
253.09222	2.5
263.07629	1.6
277.09293	0.8
277.18921	0.3
281.24835	100.0
282.25192	9.0
287.07745	3.6
305.08759	3.0
323.09656	1.6
361.11624	0.5
379.12292	0.9
397.13474	76.2
398.13766	4.9
415.14536	33.4
416.14963	2.4
495.42303	0.3
576.73297	0.4
679.39471	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
57.03319	3.1
58.94963	0.8
59.01247	12.9
59.50761	1.0
60.17770	0.9
67.01728	1.2
69.03310	2.5
71.01249	16.2
72.99171	6.1
73.02802	1.3
75.00748	15.0
83.04915	1.0
85.02819	17.8
87.00746	6.8
89.02318	3.0
95.01250	3.7
96.01288	0.9
96.95881	0.9
99.00756	11.7
101.02307	1.1
103.00264	1.8
113.02327	25.6
115.00235	2.2
117.01805	2.5
125.02213	0.8
129.01823	1.3
153.39465	0.9
156.41595	1.0
163.03880	1.3
167.10634	2.4
168.87393	0.8
175.02306	4.2
179.10745	1.9
179.14363	4.3
179.35765	1.1
185.59244	0.8
195.13834	10.9
196.14195	1.2
197.15358	2.4
205.12268	10.9
211.13356	8.3
223.13327	52.0
224.13686	3.5
249.06088	3.5
249.08727	1.3
289.17975	1.5
348.10580	1.0
410.15182	0.9
411.20114	1.1
429.21060	1.1
455.19107	2.9
473.20258	9.4
538.08911	1.1
661.32251	1.6
679.33289	100.0
680.33624	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	21.0
61.98708	12.8
71.01268	2.9
71.13113	2.6
71.13453	5.0
78.95787	6.8
83.04897	7.0
89.02309	3.2
96.95863	3.1
117.63275	2.5
121.02837	2.6
125.02313	5.5
135.16035	2.3
165.01903	3.0
171.10193	7.0
197.11765	74.9
198.12088	4.3
209.11771	100.0
209.13785	5.1
210.12097	8.5
211.13306	26.8
212.13658	7.1
217.08842	2.4
227.12868	23.5
228.13239	2.9
235.08199	3.7
253.09242	8.1
257.30322	2.2
326.61182	2.7
355.40494	2.7
433.20975	3.6
445.20700	10.5
618.46735	18.6
619.46893	14.8
625.32117	5.3
679.29987	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	677.494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98527	0.2
57.02016	0.2
58.02828	0.3
70.50416	0.2
71.01233	0.3
81.03324	5.7
82.95290	0.4
83.04892	17.4
84.05190	0.4
84.94987	0.5
90.06806	0.2
96.95874	0.3
100.07530	0.3
102.15784	0.2
107.06046	0.3
108.04419	0.5
113.02291	0.2
114.71899	0.2
123.44107	0.2
125.07112	1.4
126.05532	0.3
135.48132	0.2
143.08163	0.4
199.18114	0.2
207.14917	1.3
211.14053	0.2
224.17630	2.9
225.16031	12.5
226.16342	0.6
242.18654	0.9
268.16760	0.2
290.22183	0.2
308.23456	0.2
309.21826	0.8
311.43631	0.2
324.26553	0.5
333.22824	0.9
341.29135	0.9
367.27008	0.9
385.27921	0.5
407.34070	0.2
433.31802	1.4
450.34671	1.5
451.32822	5.8
452.33157	0.9
550.43579	1.0
559.39923	0.4
593.43762	0.3
659.48688	1.3
677.49640	100.0
678.49915	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	677.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.2
57.03314	1.1
58.00464	1.8
59.01250	38.0
68.99698	0.5
69.03325	2.2
70.43890	0.8
70.89827	0.2
71.01250	34.2
72.01567	0.3
72.99178	3.3
73.02814	5.4
75.00751	0.8
78.95767	0.5
81.03333	1.7
83.01256	3.5
83.04890	0.3
83.24884	0.2
85.02820	7.7
85.99976	0.4
87.00748	8.3
87.04383	0.3
89.02312	28.8
90.02646	0.3
91.03882	0.8
95.01234	2.2
97.02823	5.6
99.00761	2.5
99.04389	0.6
101.02320	27.8
102.02671	0.6
103.00269	0.4
103.03910	0.7
108.26286	0.2
109.02836	0.7
111.00764	0.5
111.04399	1.0
113.02328	13.6
115.03899	0.7
119.03386	9.1
121.02829	0.5
123.00741	0.5
123.04412	0.3
124.01550	0.4
125.02333	12.4
126.02667	0.3
127.03915	0.5
129.01846	0.4
131.03406	1.5
133.04971	1.0
137.02298	0.4
139.03893	1.1
141.01794	0.5
143.03391	5.5
145.02823	0.5
149.04459	1.0
152.99464	0.3
161.04462	6.6
167.03383	0.9
171.02995	0.5
179.05542	6.1
185.04518	0.5
199.06067	0.7
203.05522	0.5
217.07109	1.0
219.04977	0.5
221.06564	2.1
233.06967	0.3
235.08186	12.4
236.08449	0.5
245.06654	0.8
253.09265	3.4
259.08447	0.2
261.22256	0.4
263.07687	1.4
277.09235	0.8
279.23270	100.0
280.23608	7.8
287.07651	3.3
288.08133	0.3
293.24774	0.5
305.08731	3.5
323.09720	1.6
359.99670	0.3
361.11359	0.5
379.12384	0.9
397.13477	73.4
398.13821	4.9
415.14554	29.6
415.18851	0.4
416.14877	2.2
677.37097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	1.5
57.03311	1.7
58.00456	1.6
59.01250	37.7
61.98694	0.6
63.56161	0.4
68.99696	0.6
69.03328	2.2
69.03648	0.4
70.85918	0.9
71.01251	37.7
72.01591	0.7
72.99176	3.4
73.02818	5.3
73.37514	0.4
75.00738	0.8
78.95779	0.7
81.03319	1.5
83.01249	3.5
83.04860	0.5
85.02815	8.1
85.99934	0.5
87.00745	8.2
89.02315	31.0
90.12416	0.3
91.03882	0.9
95.01257	2.7
97.02829	6.0
99.00766	2.4
101.02319	29.9
103.03855	0.8
109.02798	0.7
111.04397	1.0
112.01509	0.4
113.02321	15.2
119.03381	9.9
121.02775	0.4
123.00710	0.5
123.04395	0.5
124.01568	0.4
125.02335	11.5
126.02642	0.4
127.03791	0.5
131.03389	2.0
133.04976	0.5
139.03935	1.1
141.01840	0.6
143.03395	5.7
149.04431	0.9
152.99437	0.6
161.04457	7.2
168.45255	0.5
179.05556	6.0
182.63333	0.4
185.04413	0.7
217.07094	1.1
219.05138	0.6
221.06682	3.3
235.08183	14.7
236.08640	0.6
245.06622	0.7
253.09259	3.4
263.07751	1.7
275.06268	0.5
277.09280	1.2
279.23270	100.0
280.23605	7.7
287.07718	3.5
305.08740	3.5
323.09760	1.7
361.11694	0.5
379.12521	0.9
397.13477	75.9
398.13727	4.7
415.14542	34.9
416.15192	1.9
603.19647	0.5
616.30457	0.5
629.78882	0.5
677.36847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	4.9
71.43903	10.0
73.98154	4.2
78.25140	5.6
78.95792	10.4
94.18822	4.8
110.26202	4.4
121.02179	4.4
127.90955	4.7
196.61163	5.1
211.13313	100.0
447.22333	11.8
518.27875	6.2
677.33313	24.7
678.35968	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	677.331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98692	6.9
71.01231	12.2
71.15177	15.1
71.88218	7.6
78.95782	10.3
89.06051	7.1
148.59119	7.2
171.10153	10.0
197.11752	8.2
211.13341	100.0
212.13748	11.2
227.12935	7.0
247.09528	8.9
250.39951	6.7
447.22290	19.7
623.34412	16.0
641.35626	13.4
677.33221	38.6
678.33356	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.83664	0.1
62.30322	0.1
67.47873	0.1
69.25858	0.9
78.95766	0.4
79.39854	0.1
79.95603	2.4
96.95885	100.0
97.95804	0.3
99.93007	0.1
107.01237	0.1
121.14165	0.1
125.02329	0.3
151.00259	0.4
167.03523	0.1
169.01338	0.1
174.01631	0.1
174.21509	0.1
178.99835	0.2
179.03630	0.1
183.01118	0.1
255.02911	0.3
271.02441	0.9
299.02130	0.4
300.02713	2.1
301.03513	2.0
447.09305	4.2
448.09781	0.5
514.75421	0.1
579.13940	0.2
690.95135	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	677.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00951	1.7
59.01249	28.7
59.28992	1.2
60.99558	1.3
69.88522	3.0
69.88929	3.5
71.01241	5.9
89.02304	4.4
96.95924	1.5
98.19889	2.5
101.02332	5.0
113.02310	2.5
124.33334	1.3
125.02304	2.1
144.41805	1.4
163.11186	3.0
186.75044	1.2
207.10190	5.8
228.62297	1.2
289.07108	5.1
290.07468	1.4
351.15717	1.4
387.16589	100.0
388.17090	7.3
473.89172	1.3
571.45032	1.3
642.39435	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	675.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37847	1.0
69.84200	1.1
69.92146	3.7
69.92561	2.6
78.95776	26.5
93.46423	1.0
96.96859	1.4
110.33138	1.0
152.99484	36.3
158.66499	1.0
167.14313	1.5
171.00516	3.3
183.13834	8.4
193.12268	2.9
211.13332	100.0
212.13637	4.6
227.03191	4.1
243.94376	1.0
253.21710	19.8
328.87308	1.1
347.12573	3.6
421.16321	2.9
439.17322	88.5
440.17627	7.9
675.38647	22.3
676.38861	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	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.6
56.15540	0.4
57.03309	1.8
58.00475	2.6
59.01247	53.4
60.01586	0.8
68.99680	0.8
69.03312	2.5
71.01247	42.3
72.99171	2.4
73.02814	7.2
75.00744	0.8
78.95761	0.6
81.03310	1.4
83.01257	4.6
84.01992	0.6
85.02821	8.5
87.00748	9.8
89.02312	37.4
91.03867	0.9
93.03320	0.5
95.01244	2.6
97.02814	7.8
98.20539	1.1
99.00734	2.3
99.04358	0.6
101.02317	34.2
102.02579	0.5
109.02808	0.7
111.00742	0.7
111.04354	0.9
113.02325	17.5
115.03828	0.7
119.03380	12.3
121.02836	0.5
123.00708	0.7
125.02327	14.0
126.02605	0.6
131.03372	1.4
133.04944	1.6
138.12869	0.5
139.03854	1.1
141.01814	1.0
143.03394	7.0
149.04427	1.2
161.04462	7.5
167.03378	0.7
179.05507	7.0
185.04498	0.7
199.06123	0.7
209.11763	0.5
217.07181	0.9
219.05060	0.8
221.06573	3.0
233.22638	0.7
235.08174	16.9
236.08629	0.6
245.06573	0.9
253.09247	5.0
258.19037	0.6
263.07791	2.1
275.20120	0.7
277.09399	1.2
277.21698	100.0
278.22058	9.0
287.07693	3.6
305.08633	3.4
323.09821	2.0
379.12268	1.4
397.13480	83.9
398.13834	6.9
415.14557	38.0
416.14984	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01206	0.1
61.85915	0.1
63.56929	0.1
67.96823	0.1
69.40180	1.2
71.01256	0.3
71.81181	0.1
78.95764	1.1
79.95602	2.9
82.95300	0.3
96.95882	100.0
97.95808	0.4
98.95460	0.2
107.01248	0.3
111.00764	0.3
121.02847	0.1
123.00771	0.6
125.02317	2.7
126.02660	0.6
139.00273	0.2
140.00755	0.1
151.00261	0.6
163.03871	0.2
164.15343	0.1
165.52374	0.1
168.00549	0.2
169.01335	2.8
170.01646	0.6
171.01849	0.2
217.75113	0.1
241.04707	0.1
255.02878	1.0
269.08170	0.1
283.02475	2.3
284.03073	0.2
299.02090	0.2
300.02621	0.2
301.03415	0.2
313.05670	0.6
313.09744	0.1
314.05975	0.3
430.09128	0.6
447.09326	0.2
499.53702	0.2
575.13818	0.2
577.15540	2.7
578.15930	0.2
628.76917	0.2
674.21655	2.3
674.32324	0.2
675.21881	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05157	0.3
55.01758	1.7
56.70768	0.3
57.03322	1.7
58.00469	2.2
59.01249	59.0
60.01579	0.3
68.99689	0.9
69.03323	2.9
71.01251	44.0
72.01592	0.5
72.99186	3.3
73.02815	7.6
75.00743	1.4
75.16482	0.3
75.34783	0.3
79.54298	0.3
81.03321	2.0
83.01258	5.0
83.04893	0.6
85.02824	9.2
87.00750	10.5
87.04384	0.5
89.02313	36.5
90.02641	0.6
91.03901	0.8
91.70642	0.3
93.03304	0.4
95.01255	3.4
95.04904	0.3
97.02824	7.9
98.19651	0.6
99.00756	2.9
99.04421	0.7
99.57570	0.3
100.32800	0.2
101.02317	34.3
102.02665	0.6
103.00283	0.5
103.03883	0.3
109.02846	0.4
110.85778	0.3
111.00743	0.6
111.04407	1.1
113.02329	16.8
114.02660	0.4
115.03900	1.1
119.03387	12.2
121.02855	0.8
123.00795	0.3
123.04391	0.5
124.01563	0.6
125.02328	15.0
126.02656	0.4
127.03891	0.5
131.03404	1.7
133.04984	1.0
137.02335	0.5
139.03896	1.7
141.01846	0.7
143.03398	6.8
149.02278	0.3
149.04465	0.8
157.04967	0.3
160.13251	0.3
161.04459	8.6
162.04868	0.3
167.03406	1.0
169.04991	0.6
171.02904	0.5
179.05524	7.5
179.92989	0.3
184.33020	0.3
185.04483	0.9
199.06018	0.5
203.05571	0.8
205.19395	0.3
217.07019	1.4
219.04991	0.5
221.06560	3.0
229.21706	0.3
233.22678	0.4
235.08185	15.0
236.08443	0.5
245.06610	1.1
253.09268	3.9
259.20535	0.6
263.07632	2.0
275.20279	0.6
277.09467	1.5
277.21710	100.0
278.22049	8.3
287.07712	3.8
305.08737	3.7
306.08902	0.4
323.09790	2.1
361.11340	1.1
379.12418	1.3
397.13483	81.7
398.13803	5.8
399.83539	0.3
415.14557	33.8
416.14868	2.2
446.90771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.4
59.00976	0.5
59.01248	3.6
60.81962	0.3
61.98697	1.4
63.35160	0.3
69.03312	0.5
71.01254	7.7
71.43982	0.7
72.99174	0.3
73.02804	1.0
78.95776	4.6
79.01886	0.3
80.02001	0.3
80.02547	0.3
81.03318	0.4
83.01266	0.4
83.04882	1.5
84.73220	0.4
85.02842	1.2
87.00768	0.7
89.02296	1.8
95.04890	0.4
97.02818	0.7
99.00749	0.6
101.02320	2.8
103.12290	0.3
109.06485	1.6
111.08018	0.3
113.02284	1.6
120.75190	0.3
123.08067	0.4
125.02341	0.5
125.09660	0.6
139.95941	0.4
145.04947	0.5
152.99472	1.7
155.10666	0.4
161.04433	1.2
163.11247	2.0
165.12733	0.8
167.03349	0.4
171.10159	2.6
179.05525	0.4
181.12271	1.0
183.13814	6.3
185.11768	0.5
193.12192	1.2
199.13329	3.3
201.11237	1.7
203.49968	0.3
207.10207	4.5
208.10448	0.5
209.11771	20.0
210.12137	1.5
211.13335	100.0
212.13660	5.6
215.12834	0.5
225.11299	3.8
227.12840	11.2
228.13168	0.9
235.08168	2.5
243.12363	0.5
253.09258	5.3
253.13947	0.4
293.21143	0.5
373.23956	0.4
387.25208	0.5
401.23468	1.2
419.24408	0.9
429.21237	1.2
445.20663	0.5
447.22369	6.4
448.22333	0.7
461.20401	0.6
463.21933	0.9
584.88312	0.4
619.47852	0.4
623.34064	0.9
637.32208	0.9
655.33063	1.9
656.34595	0.5
673.33832	3.8
674.33765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37768	0.4
57.03321	0.9
59.01249	6.4
65.63410	0.5
69.22392	0.4
70.14272	1.0
70.14676	1.3
71.01259	6.5
72.08325	0.5
73.02818	1.7
80.02537	1.7
81.03323	1.4
83.01275	0.7
83.04890	6.2
84.02037	0.9
85.02837	1.1
87.00723	1.1
89.02313	3.4
95.01255	0.7
95.04913	1.2
97.02838	0.9
97.06464	0.5
98.19698	0.5
99.14320	0.6
101.02328	4.3
109.06486	1.2
111.08036	1.0
113.02331	2.3
119.03412	1.0
125.05915	0.5
125.09657	0.9
135.08046	1.1
161.04437	1.8
163.11195	5.5
163.87912	0.6
165.12756	9.3
169.12263	0.7
171.10211	5.0
181.12280	1.0
183.13826	51.6
184.14133	2.7
185.11758	1.7
191.10744	1.1
193.90996	0.5
199.13371	4.7
201.11389	0.5
207.10245	1.7
208.10738	0.5
209.11763	100.0
210.12126	6.6
211.13348	7.0
211.32127	0.6
225.11244	3.8
227.12834	22.5
228.13174	1.5
235.08250	3.3
243.12141	0.6
247.13326	0.6
253.09233	8.7
401.23441	0.7
445.21140	2.7
461.20029	0.6
463.21732	3.5
637.32135	1.2
655.33026	2.1
673.34344	42.7
674.34808	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	673.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59855	0.1
55.01746	0.2
58.00469	0.3
59.01247	2.1
71.01247	1.8
71.04890	0.2
71.22135	0.3
73.02824	0.3
80.02551	0.9
81.03311	1.0
83.01238	0.2
83.04894	4.2
83.05370	0.3
84.02031	0.7
85.02838	0.4
87.00748	0.2
89.02310	1.1
93.03365	0.3
95.01288	0.1
95.04891	0.7
97.06468	0.2
101.02310	1.5
109.06532	0.2
111.08030	0.2
113.02361	0.7
119.03396	0.2
121.04706	0.1
125.02345	0.1
125.05974	0.6
125.09616	0.3
135.08029	0.7
143.03426	0.2
145.04935	0.2
147.11702	0.2
149.09557	0.2
161.04527	0.7
163.11194	3.7
165.12726	2.4
165.14053	0.2
166.12926	0.2
171.10161	2.3
179.05502	0.3
181.12271	0.4
185.11751	0.3
191.10706	0.8
199.13275	0.3
209.11763	100.0
210.12109	5.3
221.11752	0.5
223.13475	0.2
227.12831	12.6
228.13232	0.9
235.08194	1.7
247.13394	1.2
253.09276	5.3
254.09644	0.3
265.14536	0.3
274.33188	0.1
401.23395	0.2
419.24557	0.3
437.25699	0.2
445.20679	0.6
565.16296	0.2
611.30334	0.2
637.32367	0.7
638.33105	0.2
655.33502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.7
70.89839	0.5
71.01252	1.6
73.02823	0.4
80.02547	0.8
81.03336	0.7
83.01229	0.3
83.04899	3.5
84.02045	0.6
85.02810	0.4
87.00734	0.5
89.02329	1.0
93.03339	0.3
95.04909	0.6
95.36549	0.2
96.61845	0.2
97.02787	0.3
101.02300	1.6
106.88323	0.2
109.06444	0.3
113.02334	0.8
119.03354	0.4
119.99046	0.2
125.05994	0.5
125.09602	0.3
130.79143	0.2
135.08052	0.3
139.44716	0.2
147.11702	0.2
161.04466	0.6
163.11185	3.1
165.12747	1.7
171.10156	2.2
179.05557	0.3
181.12241	0.6
185.11629	0.2
191.10690	0.8
199.13283	0.4
209.11761	100.0
210.12091	6.1
217.67276	0.2
224.42953	0.2
227.12830	13.5
228.13174	0.7
235.08165	1.6
247.13428	1.4
253.09251	5.5
254.09634	0.3
265.14493	0.3
375.21506	0.3
401.23267	0.3
419.24680	0.2
445.20587	0.9
463.21686	0.2
473.36597	0.2
593.29346	0.3
637.32086	0.7
638.32489	0.3
655.33771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23518	1.4
57.03332	1.5
58.00476	2.2
59.01249	12.4
61.98698	2.7
69.03326	2.0
70.43840	5.6
71.01251	46.6
73.02834	3.3
78.95789	11.9
80.02533	2.1
81.03361	2.0
83.01254	2.4
83.04900	5.8
85.02810	3.8
87.00764	4.9
89.02316	5.8
93.03300	1.7
97.02836	2.6
99.00780	4.1
101.02325	8.6
107.04883	1.5
109.06473	7.1
113.02316	4.5
125.02290	2.5
125.09620	2.3
135.08090	2.0
141.38272	1.8
152.99507	6.2
161.04480	2.9
163.11208	10.2
165.12750	4.4
171.10185	12.1
179.96725	1.6
181.12300	5.5
181.95615	1.3
183.13820	11.1
185.11748	3.6
197.11768	1.6
199.13322	25.8
200.13768	1.5
201.11267	7.3
207.10208	27.3
208.10570	3.5
209.11771	97.7
210.12096	10.8
211.13353	100.0
212.13684	5.8
225.11259	17.4
226.11604	2.0
227.12848	76.0
228.13048	2.2
235.08226	5.9
236.01964	1.5
237.14812	2.0
243.12341	2.7
247.13420	3.4
253.09221	14.0
265.14359	1.8
278.16141	1.4
293.21213	1.6
379.11328	1.5
383.22238	2.0
401.23441	6.8
419.24234	4.3
437.25046	2.1
445.21039	2.9
447.22339	2.8
461.20029	3.6
463.21680	10.8
494.99664	1.5
563.00018	1.5
637.31958	7.7
655.32990	11.0
656.34052	3.0
673.34119	24.5
674.34088	2.9
690.12970	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	673.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	2.3
63.41096	1.0
67.01763	3.1
68.12614	0.9
68.99670	1.3
71.01249	2.7
71.58228	2.0
72.99165	2.2
79.01763	3.1
81.03323	1.4
83.01259	1.2
87.00728	1.0
87.08945	1.1
87.82310	1.1
88.78536	1.1
89.02312	1.2
89.41815	1.1
93.03249	0.9
94.20834	1.0
95.01262	9.1
96.95878	3.5
97.02808	3.0
107.01274	8.0
109.02832	3.9
111.00741	6.7
117.23185	1.1
121.02847	5.1
122.03584	1.3
122.99899	2.2
123.00763	37.7
124.01561	5.0
125.02332	42.5
126.02709	1.3
127.00317	1.5
136.98724	4.0
137.02345	6.6
139.00278	11.2
139.03876	5.9
140.01047	8.5
141.01788	4.5
145.02821	2.4
149.02380	1.4
151.00275	6.6
151.03925	2.4
153.01862	2.0
161.02330	2.5
163.00281	1.1
163.03886	1.4
164.01031	1.0
165.01871	2.1
165.05478	0.9
166.99750	11.6
167.03476	1.8
168.00583	11.3
169.01332	29.5
170.01773	1.7
181.01347	1.6
182.02063	1.5
183.02911	16.2
195.02957	2.4
197.04459	1.8
209.11769	17.3
227.12784	2.2
241.04756	1.3
265.44870	1.1
267.38159	1.1
269.08151	1.9
281.08273	2.0
282.08969	2.7
283.09589	2.4
289.07220	3.5
295.09753	1.8
296.87076	1.2
299.09238	2.7
300.10059	2.6
311.09186	1.6
312.10135	1.3
314.11478	2.7
315.12332	14.0
316.12537	2.2
327.12427	4.5
329.13766	3.2
332.08997	1.7
341.13721	1.4
344.09238	1.3
346.10358	2.6
375.10938	2.7
448.11505	1.5
448.87692	1.2
449.12415	1.4
451.09967	5.4
463.10181	1.5
465.12015	3.0
466.12656	19.8
467.13266	3.3
478.12808	17.0
479.13116	2.9
480.14484	1.9
481.15033	89.7
482.15302	13.6
493.15015	29.5
494.15335	4.5
511.16040	77.4
512.16412	11.5
643.20581	2.7
673.21368	100.0
673.34064	6.5
674.21655	20.8
674.32953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60020	0.7
51.11423	0.7
59.01231	1.5
67.01733	1.4
67.61236	0.7
68.16045	0.8
71.01256	4.0
71.06802	1.4
71.07137	0.9
71.30030	0.9
72.99176	0.8
73.02139	0.7
79.01753	1.3
83.01231	1.0
85.02825	1.3
92.72535	0.7
95.01264	3.8
96.95872	1.4
101.02294	1.4
107.01260	11.2
109.02815	6.0
109.99921	0.7
111.00755	2.5
113.02268	0.7
116.92670	1.4
123.00766	16.0
123.04326	0.8
124.01534	1.2
125.02332	56.9
126.02681	1.4
127.00262	1.1
136.98718	1.6
137.02367	1.0
139.00250	4.7
139.03885	1.7
140.01024	4.4
141.01804	2.9
151.00273	9.1
153.01788	1.4
159.04401	2.5
161.02396	1.1
168.00543	5.5
169.01329	65.1
170.01611	2.0
173.05954	2.0
179.03419	0.8
183.02895	3.4
189.05438	2.6
191.07050	1.5
203.06975	1.4
211.02452	1.4
241.05159	5.4
255.06616	2.6
267.06442	1.4
284.80933	0.9
289.06985	1.0
295.10184	0.7
297.06152	1.3
299.09241	3.4
300.09644	0.8
313.05630	14.6
313.10791	6.6
327.07199	1.5
329.10373	1.8
344.12622	10.4
345.13345	9.4
359.14954	18.5
360.15466	2.2
519.14862	1.4
579.16107	0.8
610.79944	0.9
620.90338	0.9
642.18945	1.8
673.21295	100.0
674.21661	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16625	0.7
56.20708	0.9
59.01244	1.4
59.62529	0.9
61.98683	2.9
66.73840	0.8
67.01730	1.8
68.99688	1.1
69.03310	2.0
71.01251	6.4
72.99170	2.3
74.50224	0.9
78.91759	0.9
79.01772	1.4
83.01285	1.2
85.02820	1.7
87.00721	1.5
95.01250	3.8
96.95891	7.9
97.02810	2.5
98.20541	2.7
101.02308	2.9
107.00616	1.5
107.01270	15.5
109.02827	1.3
111.00784	4.4
113.02312	2.1
121.02816	1.9
123.00770	19.9
124.01515	3.0
125.02335	81.9
126.02673	2.8
127.00260	2.0
136.98720	2.5
137.02341	2.5
139.00279	6.2
139.03864	2.1
140.01054	9.0
141.01804	3.1
147.04462	0.8
149.02283	1.3
149.05968	5.1
150.03094	2.4
151.00273	13.3
153.01808	1.7
154.99684	1.1
159.04405	3.6
160.05228	8.8
161.02274	1.6
161.05940	3.6
161.07211	0.9
163.03896	3.5
164.04623	1.4
165.01759	1.0
166.99765	1.6
168.00589	9.1
169.01335	100.0
170.01717	4.0
173.06088	0.9
175.07553	6.0
177.05513	3.4
178.06252	2.1
183.02924	7.1
211.02431	3.0
217.88141	0.8
239.05568	9.8
241.03423	1.7
241.33781	0.8
244.06676	0.8
253.03560	2.0
255.02927	1.1
271.02490	2.6
297.06097	2.6
300.02689	4.4
301.03265	2.2
305.79694	0.8
313.05643	24.8
314.05948	1.9
315.12268	4.1
327.07169	3.1
329.13919	6.9
433.07788	3.0
447.09509	1.4
448.09601	3.4
451.12091	0.9
643.20258	65.6
644.20508	12.2
655.20520	4.5
673.21326	74.1
674.21729	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	673.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	0.9
67.01762	1.3
69.03333	1.3
69.41553	1.4
69.41959	3.0
71.01234	3.9
79.01774	1.1
81.03375	0.7
83.01247	1.2
85.02814	0.6
95.01266	2.8
96.95899	1.1
97.02829	1.5
98.19736	1.0
101.02316	1.1
107.01270	13.5
111.00767	1.8
113.02315	1.6
121.02856	1.4
123.00767	14.5
124.01536	2.3
125.02336	67.7
126.02675	1.5
127.00251	1.3
136.98701	1.7
137.29056	0.5
139.00290	4.0
139.03873	1.4
140.01041	3.5
141.01848	2.1
141.41158	0.5
145.02831	0.6
147.04396	0.7
151.00279	8.8
153.01823	0.9
166.99786	0.5
168.00558	4.1
169.01335	71.7
170.01657	2.2
183.02919	2.6
193.01379	0.7
211.02390	1.0
223.02408	0.9
234.06808	0.5
241.03557	1.5
253.03487	0.9
269.08209	4.3
281.08185	0.8
283.09805	1.6
287.67313	0.6
297.06238	0.6
299.09308	3.5
300.09900	0.8
311.09195	5.7
312.09863	1.0
313.05649	18.7
314.06067	1.2
314.11661	4.0
315.12292	2.0
326.11557	3.2
327.07086	1.3
329.13858	3.8
341.13678	0.8
648.30377	0.6
673.21320	100.0
674.21619	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	673.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.5
59.01248	1.3
61.98686	3.4
65.00201	0.7
67.01754	1.4
69.03320	1.3
70.85610	0.7
71.01242	4.1
71.08250	0.5
73.02809	0.8
75.00750	0.6
75.27026	0.5
77.16605	0.5
79.01764	1.6
81.03367	0.7
83.01258	1.2
85.02808	1.4
95.01269	2.8
96.43050	0.5
96.95883	18.0
97.02840	1.7
99.88455	0.5
101.02322	2.2
103.00269	0.7
107.01274	11.0
109.02835	1.8
109.97051	0.6
111.00768	3.0
113.02337	1.2
121.02847	1.4
122.03654	0.9
123.00759	13.2
123.04411	1.3
124.01544	1.9
125.02334	70.6
125.81045	0.5
126.02670	1.4
127.00274	1.1
133.01254	0.7
135.04420	0.7
136.98717	1.7
137.02385	3.4
139.00264	4.9
139.03889	1.8
140.01039	5.2
141.01843	1.6
145.02814	0.9
147.04445	0.6
149.02335	1.2
150.03125	1.5
151.00272	11.4
151.03822	1.1
153.01834	0.9
158.03621	0.7
159.04436	2.5
160.05208	4.4
161.02356	1.0
161.06020	2.7
163.03897	1.8
164.01056	0.9
164.04709	0.9
165.01839	1.3
166.02571	0.7
166.99783	0.6
168.00539	6.5
169.01332	78.9
170.01678	2.5
173.05940	1.1
175.07530	4.7
177.01865	1.4
177.05478	1.4
178.06259	1.2
179.03371	1.1
181.05020	0.7
183.02884	6.0
190.06195	0.6
193.01392	0.9
195.02844	0.6
203.07076	0.5
211.02415	2.1
223.02435	0.8
241.03407	1.5
255.02998	2.1
271.02509	1.3
273.03976	0.6
283.02405	1.0
286.24054	0.6
289.07156	2.1
297.06360	0.6
300.02658	3.4
301.03314	4.9
302.03754	1.8
312.04684	0.7
313.05615	18.1
314.06125	1.0
315.12344	2.9
327.07153	1.3
329.13947	4.4
383.11319	0.7
407.07596	2.3
425.08646	1.0
447.09314	5.3
448.09671	4.6
465.09784	0.7
575.13568	1.2
673.21301	100.0
674.21619	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	671.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19354	0.5
55.01749	0.7
57.03313	1.0
59.01245	10.0
65.03825	0.9
69.03324	0.8
71.01244	6.3
71.04884	0.5
73.02824	1.5
78.95782	1.7
80.02551	2.0
81.03323	3.0
83.01235	1.0
83.04887	8.9
84.02043	0.9
85.02820	1.6
85.49491	0.5
87.00742	1.2
89.02322	3.4
93.03340	1.9
95.01254	0.9
95.04917	1.8
97.02824	5.8
97.06450	1.1
99.00745	1.1
101.02312	5.4
107.04931	1.0
109.02856	0.7
109.06472	19.9
110.03603	1.1
110.32505	0.4
111.04391	1.0
113.02336	2.5
119.03381	1.2
120.49244	0.5
121.06478	1.4
123.08001	0.6
125.02325	1.2
125.09624	2.8
135.08038	3.5
136.05196	0.9
137.09689	0.7
142.02606	1.7
143.03455	0.7
145.10097	0.5
147.33414	0.5
152.99504	0.9
161.04471	2.2
161.09622	2.0
163.11191	16.0
164.11543	0.8
165.09138	0.6
165.12680	2.4
169.12206	0.5
171.10167	7.1
179.10645	0.6
181.12274	4.2
185.11789	3.0
187.09654	1.2
189.09091	1.6
191.10699	1.0
201.11215	3.6
207.10204	57.4
208.10527	2.7
209.11763	100.0
210.12091	5.4
211.13193	1.1
213.09045	0.8
221.11795	1.2
223.13387	1.4
225.11278	34.2
226.11649	1.9
227.12831	13.6
228.13010	0.6
231.10149	1.4
233.11703	0.7
235.08205	3.8
235.13356	1.6
243.12300	0.8
245.11833	1.1
247.13387	1.0
249.11316	1.5
251.12949	0.7
253.09274	10.7
263.12854	2.0
265.14496	1.2
281.13937	1.0
299.15060	1.0
355.22821	0.7
373.23761	1.2
389.23193	0.6
399.21802	4.9
417.22925	6.1
418.22699	0.7
435.23755	1.3
443.19360	3.1
445.20715	0.5
461.20282	11.2
462.20859	0.8
481.20651	0.7
487.21692	0.6
491.26224	0.6
609.30383	0.6
635.30658	9.8
636.31409	1.7
653.31805	14.7
654.32281	2.3
671.32758	27.7
672.33221	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	671.1981
Annotation	(+)-Pinoresinol 4-O-(6''-O-galloyl)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.03296	0.4
59.01259	0.9
59.45174	0.3
61.97113	0.4
61.98713	1.9
65.00190	0.7
65.80479	0.3
66.39606	0.3
67.01763	1.5
69.03323	1.6
69.70647	2.6
71.01247	3.9
72.99179	0.8
73.02847	0.6
78.91770	0.4
79.01762	1.2
81.03336	0.4
83.01257	1.0
85.02821	1.6
87.00755	0.7
89.02334	0.4
93.03316	0.4
95.01257	2.6
96.95925	0.6
97.02838	1.3
98.20508	0.8
99.00732	0.5
101.02320	1.3
107.01269	12.7
109.02862	1.2
111.00775	3.2
113.02330	1.3
119.05013	0.6
121.02838	0.9
121.55605	0.4
122.03656	0.6
123.00770	13.6
123.04416	0.5
124.01534	1.4
125.02335	61.9
126.02673	1.6
127.00282	1.2
135.04335	0.4
136.01558	12.1
136.02556	0.8
136.98683	1.5
137.02383	1.9
139.00275	4.5
139.03886	1.2
140.01059	4.6
141.01802	1.7
141.11841	0.3
145.02864	0.5
147.04367	0.6
149.02335	0.6
150.03192	0.4
151.00266	8.4
151.03912	11.1
153.01811	1.3
154.99715	0.4
159.04396	0.5
161.02354	0.5
163.03894	0.9
165.01860	0.5
165.05479	1.5
166.99783	1.1
167.03543	0.5
168.00566	4.9
169.01334	72.6
170.01649	2.3
175.03871	0.8
176.04695	1.4
177.05493	0.7
179.03452	0.8
183.02905	4.6
187.03972	0.6
189.05519	0.8
191.07050	1.3
195.02930	0.5
199.30205	0.4
211.02379	1.3
223.02475	0.9
228.04007	0.4
241.03491	1.2
243.02895	0.4
253.03447	0.7
255.02881	0.5
271.02258	0.5
281.08426	0.4
295.09595	0.5
297.06088	0.7
300.02725	1.4
301.03458	1.5
312.09982	0.4
313.05658	18.5
313.10709	0.7
314.05978	1.3
323.09503	0.4
327.07193	1.6
327.12213	2.3
341.54526	0.4
343.11749	1.1
357.13327	0.6
447.09329	3.0
641.18970	0.4
653.18347	0.5
671.19769	100.0
672.20197	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	669.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	2.0
59.01247	12.3
69.03310	3.2
71.01250	10.0
71.04877	1.5
72.99198	0.9
73.02823	2.6
83.01230	1.0
83.04865	1.8
85.02814	2.3
87.00725	2.4
89.02307	4.6
95.04928	0.8
97.06461	1.4
100.36889	0.9
101.02321	7.0
109.06471	1.5
111.08070	1.8
113.02303	3.6
117.78510	0.8
119.03368	1.2
135.11624	0.9
145.04961	1.0
149.09584	1.2
161.04433	2.5
165.12764	11.8
167.10745	5.3
177.12701	1.3
179.10678	1.2
179.14348	4.1
183.13824	97.6
184.14238	4.2
195.13820	17.3
196.14133	1.0
199.13307	1.4
205.12263	14.0
209.11745	8.2
211.13281	1.6
223.13345	85.9
224.13690	5.0
227.12878	8.7
229.48201	1.1
235.08144	3.3
253.09256	8.0
302.99826	0.9
334.22412	0.8
419.22641	0.9
445.20700	2.6
459.22452	6.2
463.21783	7.4
669.34875	100.0
670.35315	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	669.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02680	0.3
58.68384	0.3
60.99176	16.7
62.75284	0.3
70.98783	0.5
88.98677	100.0
89.99064	0.7
109.02848	0.3
112.19331	0.3
122.33802	0.3
151.00322	1.8
163.00197	0.3
165.05447	0.4
169.01361	0.3
178.99779	0.8
211.04045	0.4
243.03142	0.4
255.02986	1.2
271.02426	2.6
280.76874	0.3
299.01947	0.9
300.02734	8.2
301.03522	7.6
302.03925	0.7
349.30777	0.3
447.09308	23.2
448.09744	2.5
467.01099	0.3
579.13763	0.8
582.08997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.4
57.03323	0.3
58.00468	0.3
59.01247	5.2
60.33017	0.2
69.03322	2.2
70.05992	0.2
71.00880	0.4
71.01244	3.8
71.04873	0.7
73.02802	0.6
80.02557	1.0
80.02997	0.2
81.03330	1.0
83.01263	0.6
83.04894	4.8
84.02026	0.5
85.02817	0.9
85.06454	0.4
87.00746	0.8
89.02322	2.2
93.03322	0.5
95.04910	1.1
97.02830	0.3
97.06474	0.4
100.15422	0.2
101.02319	3.6
109.06451	0.6
111.08053	0.2
113.02337	1.7
119.03396	0.6
119.21160	0.2
125.05950	0.4
125.09602	0.5
135.08028	0.7
135.11685	0.2
141.09090	0.3
143.03413	0.5
145.04900	0.6
149.09570	0.4
157.04991	0.3
161.04489	1.4
161.09567	0.3
161.13202	0.2
163.11214	3.6
165.12740	2.6
166.13179	0.2
167.10664	2.3
171.10176	1.9
177.12764	0.5
179.05513	0.5
179.10693	1.2
179.14330	3.1
181.12262	0.8
191.10695	0.8
195.13837	8.1
196.14145	0.4
205.12271	8.3
206.12665	0.6
209.11758	100.0
210.10226	0.1
210.12096	5.4
223.13335	81.9
224.13676	5.0
227.12827	14.8
228.13188	0.9
234.07205	0.2
235.08206	3.6
253.09265	10.5
254.09595	0.5
256.61124	0.2
261.14941	1.8
383.32773	0.2
397.24075	0.3
415.24939	0.4
433.25806	0.3
441.21112	0.6
442.21051	0.2
445.20844	1.2
454.31683	0.2
459.22394	6.8
460.22787	0.9
633.32880	0.7
651.33783	0.9
669.34595	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01995	0.7
52.36066	0.7
55.01753	2.5
57.03321	2.7
58.00460	5.3
59.01247	97.7
69.03325	1.2
69.45286	3.1
69.45715	3.4
71.01251	100.0
71.04905	1.1
72.01571	1.0
72.99174	8.3
73.02811	10.1
83.01249	8.3
85.02819	23.5
87.00752	7.0
89.02312	95.0
90.02668	1.3
95.01254	6.2
96.95889	2.8
97.02819	2.0
99.00748	2.8
101.02316	53.1
102.02625	1.0
103.00227	1.1
109.02868	0.9
111.00732	2.3
113.02325	34.8
114.02673	1.5
117.03355	4.6
118.73176	0.8
119.03383	39.5
119.04883	3.9
120.03745	1.0
121.02842	1.0
125.02318	3.5
125.59930	0.8
131.03374	5.2
135.04384	1.0
143.03392	10.3
143.10640	0.9
145.02853	16.0
146.03194	1.0
149.02399	2.0
149.04411	4.3
150.03133	11.2
159.02896	2.6
160.05237	1.8
161.04465	24.5
161.05789	1.4
163.03929	4.1
164.04709	0.9
165.05482	14.8
175.07576	1.2
179.05522	26.2
195.06555	11.9
196.06963	0.9
229.14348	1.4
246.08865	0.9
307.08316	5.1
325.27542	1.3
341.10162	1.2
343.28568	2.3
344.12625	0.8
345.13263	1.0
359.15082	3.8
366.73877	0.9
367.10205	0.8
371.15186	1.7
487.32727	3.1
505.18692	2.6
505.33813	24.0
506.34027	3.1
585.23505	1.9
667.25024	1.7
667.39099	54.8
668.26740	1.0
668.39435	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	667.37
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01736	1.1
56.31558	1.2
56.84852	0.9
57.03299	1.3
58.00463	1.6
59.01248	27.6
63.99303	1.1
64.88569	1.0
68.83562	1.1
69.37471	6.3
69.37893	4.2
71.01254	18.8
72.99174	2.6
73.02807	4.1
73.72256	1.0
78.95765	1.7
83.01250	3.2
85.02833	9.2
88.98656	1.9
89.02312	9.7
95.01215	2.2
96.95866	1.4
99.00732	2.7
101.02325	13.9
106.81207	1.2
107.04902	1.2
108.73999	1.1
109.06479	18.6
109.74188	1.3
113.02321	8.7
117.03276	1.5
119.03370	3.4
119.04897	4.7
125.02304	2.8
135.04434	1.3
141.01796	1.1
145.02829	3.2
152.99454	2.0
161.04463	1.1
163.03935	6.3
168.00575	1.2
169.01328	1.3
207.10197	1.2
209.11699	2.6
211.16957	1.1
248.95256	1.1
313.25266	1.5
318.90915	1.3
385.27377	1.6
461.32593	2.0
505.18713	2.5
505.33527	2.3
506.18808	1.5
523.21497	1.4
553.15942	1.2
623.37872	11.0
667.37067	100.0
668.37091	15.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30679	0.9
55.01730	1.1
57.03325	1.0
58.33937	0.9
58.61086	1.0
59.01247	17.3
69.03313	3.5
70.59576	2.0
70.59943	2.1
71.01248	10.6
73.02802	2.1
80.02554	1.0
81.03328	4.5
83.01253	1.9
83.04890	3.7
84.02026	1.0
85.02812	3.7
87.00749	4.4
89.02312	5.5
95.01263	1.7
95.04884	2.4
97.02819	9.4
99.00769	1.9
101.02325	10.2
104.50454	1.1
106.04151	1.3
107.04911	1.4
109.06467	39.9
110.03623	2.7
110.06794	1.2
113.02307	4.0
119.04839	1.3
121.06489	2.7
123.08004	1.6
125.02374	1.8
125.09602	3.2
133.49484	1.0
135.08040	4.1
136.05170	1.5
136.75664	0.9
142.02592	3.2
143.03383	1.2
145.05006	2.0
161.04437	3.0
161.09628	3.7
163.11200	20.1
167.10669	3.4
169.01279	1.5
171.10165	3.7
177.12764	1.3
179.10684	2.3
179.14290	2.8
181.12274	5.8
185.11745	4.9
187.09531	1.0
189.09039	1.9
195.13808	10.6
197.11653	1.1
205.12276	8.6
207.10190	100.0
208.10611	4.3
209.11783	5.2
211.13356	1.9
215.14487	1.3
221.11775	2.6
223.13332	73.8
224.13684	3.4
225.11272	49.6
226.11574	3.1
230.94890	1.0
235.08208	3.4
235.13370	1.7
243.12198	1.8
253.09229	10.7
261.15271	1.2
263.12836	1.6
299.14893	2.4
341.24847	2.0
351.23291	3.1
359.25919	1.3
369.20364	1.9
369.24496	1.6
377.20978	1.1
385.23828	4.4
387.25876	1.4
395.22202	9.8
403.24744	4.6
413.23300	20.0
414.23767	1.2
431.24115	7.6
432.24158	1.2
443.19391	5.5
459.22278	4.1
461.20209	16.2
462.20966	1.6
505.28143	1.9
621.32635	2.4
631.31122	4.5
649.32281	32.1
650.32983	3.9
667.33313	46.7
668.33514	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	667.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.4
59.01254	14.5
60.06145	1.0
69.03322	2.6
71.01253	15.8
71.57732	2.4
72.99181	3.5
75.00751	17.8
78.95767	2.9
83.01246	2.0
85.02825	17.0
87.00751	5.9
88.83675	1.1
89.02315	3.2
95.01263	4.3
99.00765	10.4
101.89639	1.3
103.00225	1.9
107.07558	1.1
113.02330	21.6
115.00244	2.1
117.01775	1.4
124.13084	1.1
143.31587	1.0
145.81093	1.0
152.99538	1.4
157.01350	2.2
167.10696	1.2
175.02412	4.7
179.14313	2.5
183.13855	4.7
195.13878	6.0
197.15450	2.3
205.12282	3.7
211.13345	47.0
212.13693	2.0
223.13354	32.4
224.13597	2.3
225.11313	2.0
228.73131	1.1
237.14934	1.5
249.06067	2.9
443.18704	2.2
461.20291	6.5
473.20093	4.0
577.84338	1.0
607.31421	1.3
649.32239	2.5
667.33350	100.0
668.33752	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	667.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21692	0.2
58.01456	0.2
59.01247	1.3
71.01247	1.9
71.22025	0.6
73.02821	0.4
85.02843	0.9
89.02332	0.8
93.03320	0.4
95.30136	0.3
96.95885	0.4
101.02316	1.1
108.02072	0.3
111.00765	0.4
113.02328	0.8
117.03343	27.2
117.85782	0.2
118.03677	0.9
119.04908	14.6
120.05240	0.6
121.02836	1.5
122.03630	0.8
123.00793	0.2
123.04417	0.6
125.02369	0.4
131.04848	0.4
133.09950	0.3
135.04453	0.3
136.05190	0.3
137.02321	0.6
143.04904	0.4
145.02846	100.0
146.03181	3.4
147.04369	1.2
149.02380	0.6
150.03122	2.6
151.03815	0.4
158.03596	1.3
159.04404	3.6
160.05202	9.7
161.05986	5.1
163.03915	14.7
164.04724	1.6
165.05318	0.2
169.01257	0.4
173.05962	1.3
175.03993	0.3
175.07549	8.0
176.04671	0.4
176.07915	0.3
177.05478	2.4
178.06273	1.8
187.03954	1.2
189.05496	0.4
190.06232	0.4
193.05011	0.3
193.08626	1.1
196.09500	0.2
201.05334	0.3
203.06999	0.3
205.05005	0.7
217.07002	0.3
219.06447	0.3
247.06180	0.4
307.08203	47.5
308.08530	2.8
315.12332	5.6
329.13916	11.1
330.14218	0.8
341.13934	0.3
488.84946	0.2
596.78961	0.3
637.22839	25.0
638.23218	4.1
649.23022	0.8
667.23846	7.3
667.38470	0.6
668.24365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.6
61.98697	0.9
71.01252	1.5
75.79605	0.7
78.95785	1.9
82.04598	0.6
83.77928	0.6
84.64846	0.6
93.03329	1.3
98.20667	0.9
101.02312	0.8
113.02384	0.7
117.03341	14.9
119.04912	37.4
120.05247	1.4
121.02843	9.8
123.04356	0.9
125.02291	1.1
133.06499	0.7
145.02850	57.4
146.03178	2.2
147.04482	0.9
159.04443	1.4
163.03923	22.3
177.05489	14.8
178.05815	0.9
209.11699	1.5
211.13190	0.6
217.37347	0.6
227.12729	0.7
229.75372	0.8
237.05432	0.8
253.08743	1.6
254.05791	0.8
265.08740	1.4
266.05859	0.9
269.08096	3.4
281.08203	6.3
282.08871	3.8
293.08206	2.2
294.08917	2.2
296.10638	1.3
297.11398	4.4
299.09177	1.6
309.11234	1.5
314.11572	2.7
315.12357	1.1
326.11578	4.3
329.13959	2.2
341.13757	1.9
369.13446	1.5
382.74469	0.7
445.12720	6.2
457.12982	4.1
460.15182	8.9
461.15228	1.6
472.15289	9.2
475.17596	100.0
476.17938	11.8
487.17593	54.4
488.17944	6.8
505.18686	31.3
506.19229	4.5
641.41901	0.7
667.23047	1.4
667.36523	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	665.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.6
57.07971	0.1
58.00459	0.1
59.00942	0.2
59.01246	3.6
65.03825	0.1
67.01740	0.1
69.02946	0.1
69.03326	2.2
70.58577	0.2
70.58933	0.1
71.01248	2.3
71.04887	0.7
72.17073	0.1
72.99157	0.2
73.02816	0.5
75.00742	0.1
78.09518	0.1
81.03308	0.2
83.01236	0.2
83.04890	0.4
85.02821	0.8
85.06454	0.5
87.00742	0.5
89.02310	1.8
93.03322	0.3
95.01265	0.2
95.04887	0.6
97.02824	0.2
97.06435	0.3
98.19884	0.1
99.00740	0.2
101.02309	2.0
109.06475	0.5
111.07987	0.1
113.02321	1.1
119.03383	0.4
123.08034	0.1
125.02315	0.2
125.09599	0.4
135.11688	0.3
141.09123	0.3
143.03366	0.2
145.04933	0.3
149.09644	0.6
151.11258	0.1
152.60869	0.1
153.09102	0.2
159.02934	0.1
161.04453	1.3
161.09630	0.1
161.13289	0.5
167.10675	3.2
167.12062	0.2
168.11043	0.1
169.12164	0.2
177.12744	0.7
179.05542	0.5
179.10696	1.2
179.14325	3.6
180.14737	0.2
187.11165	0.2
195.13828	10.4
196.14185	0.6
205.12262	10.4
206.12651	0.6
208.61687	0.1
223.13332	100.0
224.13666	6.5
235.08182	2.5
235.10014	0.1
253.09248	5.7
254.09581	0.3
259.13303	0.2
277.21835	0.1
336.10370	0.1
349.25256	0.1
367.26425	0.2
385.23792	0.2
393.24377	0.2
403.24985	0.1
411.25229	0.8
429.26398	1.2
441.21234	1.3
442.21515	0.2
459.22324	10.2
460.22803	1.1
494.67178	0.1
595.30908	0.3
621.32666	0.3
647.34271	1.0
648.34869	0.2
654.46637	0.1
665.35516	0.8
666.36322	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23408	0.1
53.97332	0.1
55.01757	0.2
57.03310	0.5
59.01247	3.9
66.19585	0.1
67.01715	0.1
69.03323	2.1
71.01244	2.5
71.04883	0.7
73.02811	0.6
81.03316	0.2
83.01261	0.3
83.04886	0.4
85.02800	0.6
85.06461	0.5
85.99971	0.1
87.00740	0.6
89.02310	1.6
93.03335	0.2
95.01261	0.2
95.04911	0.5
97.06456	0.1
100.96461	0.1
101.02319	2.4
103.94193	0.1
108.05615	0.1
109.06455	0.5
111.08012	0.2
111.44209	0.1
113.02309	1.2
119.03414	0.4
125.02282	0.2
125.09598	0.4
131.03395	0.1
133.05043	0.1
135.11653	0.3
141.09076	0.1
143.03395	0.2
145.04955	0.3
149.09586	0.6
153.09099	0.2
161.04462	0.8
161.13217	0.3
167.10683	3.3
168.11012	0.1
177.12762	0.6
179.05518	0.5
179.10750	1.2
179.14326	3.3
179.15833	0.3
180.14699	0.2
187.11215	0.2
195.13829	10.0
196.14191	0.6
199.00237	0.1
205.12265	10.3
206.12540	0.6
223.13336	100.0
224.13660	5.9
235.08179	2.3
236.08569	0.1
253.09254	5.5
254.09659	0.3
259.13342	0.2
349.25351	0.2
367.26447	0.2
383.25491	0.1
385.23801	0.3
393.24191	0.2
411.25262	1.0
429.26324	1.1
430.26257	0.2
441.21326	1.3
459.22324	10.0
460.22498	1.3
524.50238	0.1
594.10187	0.2
595.31415	0.3
621.33063	0.2
647.34167	0.8
648.34399	0.2
665.35175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.8
57.03316	2.7
59.01247	4.3
69.03325	4.2
71.01250	12.3
71.33408	1.2
73.02810	10.6
78.95758	1.5
79.01800	0.7
83.01258	2.3
85.02822	27.3
87.00748	100.0
88.01092	1.3
95.01237	4.0
97.02829	18.2
103.03893	9.0
111.00761	1.5
113.02331	9.0
115.00246	9.3
115.03886	0.9
119.95483	0.7
128.44644	0.7
129.01836	2.1
135.74751	0.7
157.01352	9.9
164.31795	0.9
175.02397	76.2
176.02815	1.8
217.03490	19.9
295.79639	0.8
303.07211	40.0
304.07483	2.3
321.08249	25.6
321.12064	1.3
322.08630	2.0
323.09921	0.9
586.84857	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00451	1.4
69.93745	7.9
72.99176	32.5
84.06779	1.5
91.05397	8.7
99.69904	1.3
115.05384	2.5
117.03349	7.3
131.04926	8.5
133.06480	5.3
135.04419	2.7
147.04393	3.7
149.05981	64.6
149.07185	3.3
150.06306	2.6
163.03905	19.1
177.05466	20.2
239.05565	100.0
239.24043	1.4
240.05939	4.3
294.11981	1.5
347.07172	1.5
423.09085	2.3
426.77969	1.7
434.29523	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	663.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10122	0.7
54.28214	0.7
59.01246	34.1
59.19551	0.7
70.53838	0.7
71.57229	1.8
85.05231	0.8
85.34220	0.8
96.95858	1.0
99.08031	15.3
99.75866	0.7
101.02434	0.8
103.33273	0.8
127.07531	11.0
128.07849	0.8
132.11755	0.7
133.58405	0.8
145.08600	100.0
146.08946	3.7
165.65970	0.8
178.33414	0.8
187.09668	44.8
188.10002	1.3
227.03418	1.4
255.03001	1.9
284.03323	1.5
285.04016	2.3
431.09970	2.7
432.45020	0.9
499.96152	0.8
599.02118	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93175	0.1
58.55437	0.1
69.22598	0.1
78.95786	1.0
79.04465	0.1
79.95605	2.5
96.36431	0.1
96.95888	100.0
97.95802	0.4
98.20548	0.3
112.96559	0.1
125.02340	0.6
132.37395	0.1
139.00270	0.1
151.00267	0.2
151.08995	0.1
159.91133	0.1
169.01369	0.6
210.86360	0.1
255.02924	0.9
271.02301	0.2
283.02502	2.3
284.03055	0.3
300.02914	0.2
301.03528	0.3
302.94287	0.1
416.07437	0.5
417.07941	0.2
447.09384	0.4
463.08511	0.2
563.14014	2.7
564.14490	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	12.3
61.98699	22.5
65.02385	9.9
71.01279	8.5
71.14138	21.5
76.62464	10.7
78.95023	7.2
78.95774	100.0
104.75378	8.4
107.54742	10.0
142.74301	7.8
149.41096	8.2
152.99458	71.3
198.48466	13.0
199.13295	10.0
209.11737	20.8
211.13297	36.0
221.48354	9.7
285.81387	10.4
295.22836	16.7
363.12640	10.3
447.21188	11.0
623.33984	17.3
659.33905	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56184	0.8
55.64015	0.9
57.03310	1.9
59.01246	10.3
69.03300	1.0
71.01252	7.2
71.57336	1.4
78.95766	1.0
80.02521	1.1
81.03337	1.8
83.01262	1.0
83.04894	6.7
84.02020	1.4
85.02811	2.1
87.00735	2.3
89.02304	5.4
93.03356	1.2
95.04882	2.7
96.95898	2.1
97.06474	5.0
99.00732	1.0
101.02325	6.5
109.07525	0.8
113.02319	3.6
119.03396	1.4
121.76241	0.8
125.02354	2.2
125.05994	0.9
125.09563	1.5
143.03459	1.1
149.02284	1.1
149.09558	1.4
151.00374	0.8
151.11182	17.2
158.55057	0.9
161.04486	2.0
163.11185	3.6
165.12726	3.4
169.01292	1.2
169.12253	79.8
170.12622	4.8
171.10175	2.0
181.12221	1.3
183.13838	1.0
184.14139	0.9
184.63374	0.8
185.11737	3.8
191.10707	2.0
195.10161	3.2
197.11732	2.0
199.13177	1.5
201.11333	0.8
207.10379	1.2
209.11763	93.5
210.12106	13.7
211.13423	17.2
212.13684	7.0
213.11232	15.1
213.13838	2.7
225.11267	1.4
227.12828	13.1
228.13162	2.2
235.08148	3.2
253.09225	9.5
382.38364	0.9
431.19067	3.6
449.20184	9.4
455.25043	0.9
641.31934	3.2
659.32825	100.0
660.33112	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.0
64.48745	0.7
71.01257	1.5
71.58446	1.4
72.06979	0.7
78.95775	0.9
82.95296	1.4
83.01259	1.0
89.93312	0.8
96.95895	3.2
99.00806	0.8
107.01260	2.6
109.02833	2.5
119.04918	1.2
121.02823	3.0
125.02329	6.8
135.24408	0.8
145.02838	1.2
151.00256	10.0
163.00273	1.7
163.03949	1.3
164.00795	0.8
165.28624	0.8
169.01332	6.4
175.07983	0.8
176.91740	0.8
178.99776	7.0
201.05574	1.2
211.03999	1.1
229.04984	1.4
243.02945	2.4
245.04544	0.9
248.53908	0.8
254.02095	1.6
255.02966	10.3
271.02457	18.3
272.02963	2.3
273.04144	1.2
283.02487	3.1
289.07248	1.5
299.02036	2.0
300.02728	61.1
301.03494	58.9
302.03931	3.1
445.07849	1.5
447.09286	100.0
448.09558	9.5
472.65784	0.9
479.13455	1.0
570.24792	0.9
575.14020	1.0
591.13519	11.1
592.14685	1.0
600.03534	0.8
659.29193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	1.0
64.48745	0.7
71.01257	1.5
71.58446	1.4
72.06979	0.7
78.95775	0.9
82.95296	1.4
83.01259	1.0
89.93312	0.8
96.95895	3.2
99.00806	0.8
107.01260	2.6
109.02833	2.5
119.04918	1.2
121.02823	3.0
125.02329	6.8
135.24408	0.8
145.02838	1.2
151.00256	10.0
163.00273	1.7
163.03949	1.3
164.00795	0.8
165.28624	0.8
169.01332	6.4
175.07983	0.8
176.91740	0.8
178.99776	7.0
201.05574	1.2
211.03999	1.1
229.04984	1.4
243.02945	2.4
245.04544	0.9
248.53908	0.8
254.02095	1.6
255.02966	10.3
271.02457	18.3
272.02963	2.3
273.04144	1.2
283.02487	3.1
289.07248	1.5
299.02036	2.0
300.02728	61.1
301.03494	58.9
302.03931	3.1
445.07849	1.5
447.09286	100.0
448.09558	9.5
472.65784	0.9
479.13455	1.0
570.24792	0.9
575.14020	1.0
591.13519	11.1
592.14685	1.0
600.03534	0.8
659.29193	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	4.0
65.72648	0.2
69.03379	0.3
71.01237	2.9
73.02808	1.1
73.91763	0.3
80.02555	1.3
81.03326	1.1
83.01277	0.5
83.03378	0.3
83.04900	5.0
84.02043	0.6
85.02824	1.0
87.00763	0.8
89.02296	2.3
95.04866	0.5
98.19744	0.5
101.02321	2.7
113.02322	1.4
119.03356	0.7
125.06004	0.8
128.01256	0.3
135.08069	0.7
143.03398	0.3
155.10614	0.3
161.04425	1.4
163.11197	3.9
165.12761	2.2
167.14395	0.6
171.10194	1.2
179.05562	0.3
181.12228	1.0
183.13832	7.4
184.14076	0.4
191.10707	0.8
193.12309	1.7
199.13333	0.8
209.11768	100.0
210.12083	5.8
211.13332	98.4
212.13663	5.8
227.12842	14.7
228.13158	1.1
235.08211	3.5
247.09656	0.3
249.14943	1.5
253.09268	9.4
254.09547	0.3
301.70035	0.3
403.24850	0.7
429.20895	0.4
445.20990	1.1
447.22366	2.8
448.22839	0.5
555.46997	0.3
621.32526	1.0
639.33398	0.8
653.66718	0.3
657.33441	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03300	0.6
59.01246	5.4
64.30765	0.4
70.86382	0.6
70.86721	1.0
71.01251	5.6
78.95782	0.6
79.62219	0.5
83.04893	1.1
83.52068	0.5
85.02814	1.3
85.32214	0.4
87.00753	1.0
89.02316	3.0
97.06450	0.9
101.02323	4.4
109.06407	0.6
109.14636	0.5
111.08015	0.8
113.02321	1.8
119.03393	0.8
133.05009	0.6
145.04993	0.9
154.51521	0.5
161.04422	1.8
163.11182	0.5
165.12758	9.5
167.14394	0.8
179.05499	0.8
183.13817	89.1
184.14166	3.9
185.11694	0.7
193.12288	2.2
199.13301	1.3
209.11760	14.9
210.12187	0.8
211.13322	100.0
212.13701	5.5
213.14833	0.7
224.59378	0.5
227.12810	10.1
235.08145	2.5
253.09277	7.2
419.22589	1.1
445.20673	2.1
447.22406	2.4
463.21957	4.2
639.33746	0.7
657.34857	69.6
658.35315	13.8
658.45685	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39997	0.2
58.00442	0.3
59.01245	3.5
68.09755	0.2
69.03337	0.4
71.01247	3.5
73.02803	0.6
80.02530	0.9
81.03328	1.2
83.01225	0.8
83.04887	4.1
84.02023	0.7
85.02847	1.2
87.00732	0.6
89.02303	1.9
95.01271	0.3
95.04918	0.5
97.06462	0.5
101.02321	3.2
107.57482	0.3
111.08041	0.4
113.02311	1.3
119.03384	0.4
124.08319	0.2
125.02319	0.4
125.05950	0.3
128.88493	0.2
135.08035	0.7
143.03355	0.4
147.11655	0.5
161.04477	1.0
163.11203	3.5
165.12733	2.6
167.10730	0.3
167.14320	0.8
171.10175	1.8
179.05537	0.4
181.12288	0.7
183.13828	6.9
184.14056	0.4
188.83740	0.3
191.10683	1.1
193.12263	1.5
199.13379	0.9
209.11763	92.9
210.12109	6.4
211.13329	100.0
212.13657	6.0
216.85031	0.2
222.30394	0.2
227.12833	15.5
228.13190	0.7
229.21974	0.3
232.87059	0.3
235.08199	3.5
249.14986	1.5
253.09259	9.8
310.61481	0.2
385.23792	0.4
403.24777	0.7
404.25143	0.3
421.25958	0.7
429.21255	0.3
445.20975	1.3
447.22382	3.4
448.22754	0.3
463.21588	0.5
621.32898	1.1
639.33929	1.1
657.33972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96002	0.7
59.01252	1.0
61.37357	0.7
63.19405	0.8
71.57120	1.1
73.86037	0.7
73.86461	0.7
78.95798	4.0
152.99471	2.5
209.11670	1.3
211.13354	2.4
223.13347	1.3
277.21640	2.7
332.58994	0.8
345.69608	0.9
373.09641	1.7
402.70721	0.7
573.16711	2.2
656.25079	100.0
657.14557	1.7
657.25323	25.8
676.40985	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49794	0.2
57.02653	0.2
59.01243	2.7
69.03320	0.3
71.01245	2.6
71.44220	0.4
73.02811	0.6
75.67418	0.2
80.02546	0.9
81.03323	0.6
83.01244	0.4
83.04896	3.5
84.02026	0.6
85.02804	0.7
87.00741	0.5
89.02306	1.7
93.97549	0.2
95.01271	0.2
95.04900	0.4
97.06452	0.2
99.00734	0.3
101.02318	2.5
113.02336	1.3
119.03355	0.4
125.02408	0.2
125.05991	0.3
135.08076	0.3
145.04933	0.4
155.10690	0.3
161.04462	1.4
163.11185	2.3
165.12755	1.9
167.10641	0.3
167.14336	0.8
171.10126	0.9
179.05539	0.4
181.12219	0.4
183.13831	6.6
184.14105	0.4
191.10709	0.6
193.12288	2.0
209.11760	72.5
210.12086	3.8
211.13322	100.0
212.13675	5.3
212.15807	0.2
227.12833	9.9
228.13223	0.3
235.08202	3.4
240.12660	0.2
248.89156	0.2
249.14954	1.2
253.09241	9.1
254.09702	0.2
335.67395	0.2
385.23645	0.3
403.24750	0.8
421.25653	0.3
429.20966	0.3
445.20822	0.8
447.22308	3.8
448.22659	0.3
621.32721	0.7
627.59381	0.2
639.33704	0.4
657.33917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42972	0.1
55.01740	0.3
57.03312	0.2
58.00476	0.1
59.01252	2.4
59.07306	0.1
69.03320	0.2
70.45477	0.4
71.01244	2.2
72.90253	0.1
72.99166	0.2
73.02821	0.5
75.36085	0.1
79.05408	0.2
80.02536	1.0
81.03323	1.0
83.01257	0.4
83.04893	3.7
84.02046	0.4
85.02817	0.6
87.00735	0.6
89.02312	1.4
93.03342	0.2
95.01255	0.2
95.04903	0.5
97.02824	0.3
97.06451	0.4
99.00715	0.2
101.02314	1.8
104.34321	0.1
106.04075	0.2
107.04904	0.2
109.06460	1.3
113.02334	1.1
119.03391	0.3
121.06491	0.2
123.00764	0.1
123.08039	0.3
125.02326	0.3
125.05956	0.5
125.09602	0.9
135.08069	0.7
142.72215	0.1
143.03403	0.2
145.04955	0.4
147.11687	0.3
161.04446	0.8
161.09685	0.1
163.03809	0.1
163.11186	3.6
164.11589	0.2
165.12766	1.8
169.01312	0.2
171.10173	2.0
179.05531	0.2
181.12286	0.7
183.13882	0.3
185.11758	1.1
191.10672	0.8
193.12300	0.2
197.11845	0.2
203.14241	0.2
205.12114	0.2
207.10199	2.6
209.11754	100.0
210.12094	4.7
211.13333	4.0
211.15083	0.1
212.13605	0.2
221.15425	0.3
223.13341	0.3
225.11255	1.1
227.12820	5.8
231.13809	0.3
233.11784	0.3
235.08139	1.9
247.13338	1.5
249.14923	0.9
251.12862	0.4
253.09232	4.8
254.09714	0.2
263.16418	0.2
265.14438	0.5
275.12775	0.2
297.73544	0.1
321.21927	0.2
339.23325	0.5
355.22632	0.1
357.24460	0.3
365.21121	0.2
373.23822	0.5
375.21475	0.2
383.22287	1.8
391.24860	0.4
401.23291	3.3
402.23563	0.3
419.18924	0.1
419.24310	1.7
437.25272	0.2
445.20721	1.2
450.74374	0.1
461.20267	0.3
469.20978	0.1
475.27167	0.1
493.27914	0.1
609.32568	0.3
611.30493	0.2
619.31464	0.6
637.32227	6.4
638.32391	0.9
655.33319	2.9
656.33472	0.3
681.44055	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	655.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.6
59.01247	22.0
69.03321	1.7
69.49123	9.6
71.01247	17.2
71.71182	1.2
72.99176	2.6
73.02811	4.0
79.35374	1.0
81.03336	3.1
83.01271	3.3
83.04893	4.1
85.02806	5.8
87.00731	4.9
89.02298	8.6
90.73929	1.1
92.20646	1.2
93.03334	1.0
95.01272	1.8
95.04898	2.7
97.02823	6.6
97.06467	3.2
99.00762	2.1
101.02311	13.0
107.04890	1.5
109.06469	22.3
111.00747	1.4
112.01507	1.2
113.02324	8.7
119.03353	1.8
121.06451	2.2
123.04457	1.3
123.07991	2.0
125.02374	2.8
125.09607	5.9
135.04428	2.4
135.08052	3.0
137.09691	1.3
145.04996	2.5
161.04489	3.1
161.09601	1.3
163.11176	12.8
164.11627	1.5
167.14311	1.1
171.10162	6.4
179.03304	1.3
179.10666	1.5
181.12271	5.3
183.13786	6.9
185.11755	17.2
189.09029	2.7
193.12273	2.8
197.11780	2.5
203.14375	2.2
205.12296	2.9
207.10204	51.1
208.10558	2.7
209.11766	27.6
210.12099	1.9
211.13327	100.0
212.13696	3.8
221.15411	3.9
223.13368	1.9
225.11270	34.8
227.12857	3.7
231.13889	2.0
233.11746	3.5
235.08183	9.0
247.13391	3.6
249.15038	2.0
251.12802	3.6
253.09239	10.7
311.23923	1.3
321.22400	1.4
329.24768	2.6
337.21817	1.8
339.23044	7.3
347.26169	1.2
355.22711	3.2
357.20575	1.6
357.24411	2.6
365.21158	2.9
373.23767	9.7
374.83124	1.2
383.22250	19.8
384.22467	2.1
391.24878	6.8
401.23300	33.1
401.28580	2.0
402.23489	5.0
419.24319	18.8
420.24362	1.5
443.19397	2.8
447.22253	3.6
461.20178	9.0
475.13803	1.8
475.26880	1.6
493.27841	1.5
609.32813	6.5
611.30597	3.3
619.31421	10.3
628.45264	1.3
637.32257	76.9
638.33051	8.5
655.33282	33.9
656.33661	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	655.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88796	0.9
57.03303	2.2
57.36143	1.0
58.00461	1.3
59.01247	21.2
65.03817	1.0
65.10126	1.1
69.03328	2.5
71.01255	16.7
71.37996	2.3
72.99192	1.5
73.02808	4.1
73.59135	1.1
76.92448	1.0
81.03315	3.1
83.01241	3.8
83.04929	2.2
85.02802	4.5
87.00736	4.3
89.02310	10.3
93.03343	1.8
94.69162	1.0
95.01237	3.0
95.04900	2.3
97.02818	6.7
97.06417	2.6
99.00759	1.7
101.02322	12.4
107.04871	2.3
108.48957	1.0
109.06465	21.5
111.00677	1.0
111.04328	1.4
113.02317	5.8
119.03356	2.4
121.06458	2.1
123.07998	1.5
125.02326	2.0
125.09602	5.6
135.04367	1.3
135.08031	4.2
136.05096	1.3
137.02393	1.1
142.02617	1.7
145.04956	3.4
161.04379	3.5
161.09569	2.7
163.11182	13.9
165.12817	1.5
171.10190	12.4
181.12241	3.4
183.13823	10.3
185.11758	16.2
187.09679	1.3
189.09081	2.5
193.12207	1.5
193.98163	1.3
203.14317	2.9
205.12253	3.7
207.10219	52.8
208.10483	2.3
209.11757	14.3
211.13347	100.0
212.13669	4.3
213.14900	1.3
221.15442	5.5
223.13274	3.0
225.11270	38.5
226.11578	1.6
227.12778	2.1
231.13818	1.6
233.11722	3.3
235.08211	8.9
247.13324	5.2
249.14909	3.4
251.12822	5.3
253.09283	11.5
263.16470	1.2
265.14377	2.3
265.17865	1.9
273.15030	1.2
275.12982	1.2
275.16577	2.1
311.23639	1.5
329.24976	3.4
339.23123	8.4
355.22797	3.7
357.24274	3.9
365.20914	2.6
373.23880	11.8
375.21478	3.1
375.25571	1.6
377.23242	3.2
383.22229	23.5
384.22385	2.3
391.25009	8.1
393.85141	1.4
401.23346	42.2
402.23550	3.6
419.24380	20.1
420.24905	1.4
443.19034	2.1
447.22299	2.9
461.20297	9.3
462.20242	1.9
475.26898	2.3
493.27838	2.3
505.01935	1.4
609.33057	7.3
610.33173	1.5
611.30927	1.6
619.31598	8.8
627.33435	2.8
637.32208	83.1
638.32739	11.0
641.55695	1.2
655.33240	35.1
656.33978	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	655.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16068	1.4
59.01248	100.0
60.01585	2.4
61.98691	18.2
71.01239	2.2
71.05597	1.4
78.95770	3.7
85.72938	1.6
87.00718	2.0
94.71764	1.5
95.04924	1.7
96.64977	1.7
97.02823	2.5
98.19847	5.1
101.02321	3.4
103.91954	1.7
105.78187	1.5
109.06478	2.1
117.00411	1.7
141.01588	69.1
152.99406	1.7
157.46326	1.9
171.94618	2.0
176.41660	1.3
183.13821	2.2
185.11758	3.8
207.10150	9.7
209.11726	4.8
210.11952	1.5
211.13310	24.4
212.13638	6.7
221.93210	1.5
223.13327	6.1
224.13669	3.8
225.11250	5.7
253.09023	3.0
275.06229	8.4
277.21649	3.3
278.22440	1.6
293.20801	1.8
317.07324	2.1
321.96869	1.7
329.83002	1.5
335.08383	1.5
339.00204	2.5
345.50012	1.5
383.22351	2.3
391.19678	3.7
401.23096	3.0
461.20007	1.8
535.27588	6.5
580.10669	2.0
595.30133	2.2
610.39044	1.9
637.32251	3.4
655.22388	1.8
655.33392	8.6
656.33350	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	655.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62402	1.4
59.01249	100.0
61.98710	16.0
66.68371	1.4
68.25922	1.8
71.01253	4.0
71.56435	2.1
78.95776	9.7
80.97540	1.6
101.02335	2.2
102.35558	1.6
109.06457	1.9
141.01591	66.1
152.99486	4.0
158.89114	2.2
181.12257	2.0
207.10262	9.4
209.11760	5.2
211.13333	18.7
225.11293	5.2
227.02336	1.7
253.09061	2.0
255.23239	2.2
275.06274	3.8
277.21689	2.9
298.67667	1.6
339.00204	2.9
361.10938	2.1
391.19690	1.9
401.23239	2.6
481.83176	1.9
535.27631	5.2
544.99823	2.0
637.32068	3.8
655.33289	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	654.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86154	0.8
59.01234	1.6
61.98700	57.0
65.00185	1.0
70.44377	1.1
70.44714	3.1
71.01242	2.3
72.99187	2.4
78.95775	1.6
83.01240	1.6
85.02790	1.1
93.29507	0.9
96.95879	4.0
98.20503	1.1
103.00235	3.1
107.01276	2.6
109.02805	1.6
121.02841	3.0
123.04400	0.9
125.02332	2.8
131.49884	0.9
135.59488	0.8
137.02341	1.9
143.72493	0.8
149.02415	1.3
151.00252	11.6
159.04359	1.1
161.02332	1.2
162.01910	1.1
163.00304	2.4
169.01305	2.5
178.99725	5.7
215.03470	1.1
227.03459	3.9
229.04930	1.3
243.02933	3.0
245.04398	1.7
255.02974	15.5
256.03510	1.5
271.02444	24.2
271.05396	1.2
272.02783	2.2
283.02481	0.9
284.03217	4.9
285.03870	2.2
299.01944	8.6
300.02716	49.4
301.03488	42.6
301.06927	2.3
302.03796	2.7
365.08798	1.2
431.09735	7.8
447.09283	100.0
448.09598	11.1
468.09271	1.6
554.03741	1.0
591.13147	6.3
592.13708	1.3
594.19672	1.0
653.37286	1.2
654.14960	1.9
655.16425	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	653.375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89538	0.3
55.01756	1.1
57.03318	1.1
58.00201	0.3
58.00461	1.4
59.01248	38.9
60.01589	0.3
60.34262	0.2
61.98691	0.3
68.99689	0.7
69.03329	2.4
71.01248	34.9
72.01600	0.4
72.99174	3.9
73.02814	6.7
75.00743	1.1
78.95779	0.6
81.03320	1.6
83.01250	3.6
85.02818	8.0
85.99971	0.4
87.00745	9.1
89.02309	31.5
90.02666	0.3
90.97783	0.3
91.03910	0.8
93.03337	0.6
95.01244	2.5
95.04877	0.3
97.02821	6.9
99.00745	2.1
99.04411	0.5
101.02316	29.8
102.02659	0.6
103.00285	0.4
103.03864	0.5
109.02813	0.6
111.00768	0.4
111.04407	0.9
113.02323	14.8
114.02666	0.4
115.03895	1.0
119.03385	11.1
121.02838	0.6
123.04408	0.3
124.01507	0.5
125.02325	12.3
125.09618	0.3
127.03898	0.4
131.03371	1.3
133.04971	1.0
137.02422	0.3
139.03896	1.1
141.01857	0.3
143.03391	6.1
149.04440	1.2
161.04445	6.8
167.03410	0.8
169.04961	0.6
171.02884	0.4
179.05515	7.1
185.04465	0.8
195.13861	0.5
199.06123	0.4
205.12399	0.3
211.13297	2.8
217.07108	1.2
219.04962	0.4
221.06642	2.5
223.13367	2.3
235.08173	14.7
236.08586	0.7
245.06569	0.7
253.09280	3.8
255.23247	100.0
256.23599	7.7
259.08075	0.3
263.07675	2.1
269.06686	0.3
269.24734	0.7
275.07788	0.3
277.09222	1.1
279.23260	0.5
287.07642	3.5
287.10452	0.3
305.08765	3.9
323.09909	1.9
361.11096	0.5
379.12427	1.0
397.13461	86.3
398.13782	6.4
415.14523	33.0
416.14771	2.4
487.20334	0.3
546.71490	0.3
653.25488	1.3
653.36566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09422	0.3
55.01746	1.2
57.03302	1.3
58.00464	2.4
59.01248	40.2
60.01584	0.5
61.98693	0.6
67.01767	0.3
68.99681	0.5
69.03321	2.4
70.58498	1.1
71.01250	37.5
72.01597	0.5
72.99178	3.3
73.02814	6.6
75.00735	1.3
78.95765	4.4
81.03314	1.7
83.01247	4.2
85.02818	8.5
85.99957	0.5
87.00748	9.8
87.04364	0.3
89.02312	32.2
90.02651	0.3
91.03878	0.7
93.03335	0.3
93.90485	0.3
95.01244	2.5
95.06915	0.2
96.15885	0.3
96.96838	0.4
97.02824	6.7
98.03150	0.3
99.00741	2.5
101.02318	32.4
102.02607	0.6
102.73666	0.4
103.03875	0.4
109.02834	0.6
110.61415	0.3
111.00746	0.6
111.04388	1.4
113.02327	14.7
115.03876	0.9
119.02558	0.6
119.03376	9.7
121.02859	0.8
124.01476	0.5
125.02335	13.6
126.02641	0.5
127.03882	0.9
131.03383	1.5
133.04953	1.0
137.02313	0.4
139.03886	1.0
141.01862	0.6
143.03397	6.4
149.04428	1.2
152.99481	2.5
161.04456	7.6
167.03394	0.9
169.04982	0.6
171.02863	0.5
179.05530	7.1
185.04474	0.7
195.13805	0.9
199.06070	0.8
211.13370	2.2
216.19275	0.3
217.07045	1.6
219.04945	0.4
221.06548	2.6
223.13295	3.8
226.08218	0.4
235.08179	14.7
236.08453	0.8
245.06628	0.9
253.09274	3.8
255.23253	100.0
256.23584	6.8
263.07681	2.1
269.24918	0.4
277.09250	1.2
287.07648	4.2
292.25769	0.3
293.21234	1.0
305.08707	4.1
323.09766	1.6
359.12589	1.1
361.11426	0.5
379.12366	1.2
397.13470	80.6
398.13864	5.7
398.18762	0.3
415.14523	30.3
416.14966	2.1
429.20456	1.0
447.21585	0.5
653.35620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	0.5
58.58179	0.5
59.01249	9.7
59.01532	0.8
61.98704	1.7
69.03331	2.0
71.01239	3.1
71.04921	0.6
73.02817	0.9
78.95774	3.4
83.04892	1.0
85.02817	0.7
87.00739	1.0
89.02336	2.2
89.41191	0.5
101.02331	2.1
108.21137	0.5
113.02326	1.1
125.02332	0.7
126.01446	0.5
136.26842	0.4
143.03387	0.5
149.09625	0.9
161.04465	1.5
167.10735	2.6
167.14343	1.0
169.25336	0.5
171.10260	0.7
177.12863	0.7
179.05569	0.6
179.10809	0.6
179.14339	2.7
181.12329	0.5
183.13812	6.2
193.12241	1.4
195.13831	5.8
205.12279	6.2
209.11742	3.0
211.13326	100.0
212.13640	4.7
223.13332	71.1
224.13676	4.4
235.08249	2.5
236.10910	0.6
239.08122	0.7
253.09235	8.2
279.07739	1.4
293.09427	0.8
309.20737	0.7
321.08734	2.6
353.11377	3.5
354.11453	0.6
385.14053	0.7
399.25455	0.9
417.26410	1.2
441.21289	1.3
447.22348	4.6
448.22418	0.6
459.22226	6.6
460.22571	0.8
621.23022	1.2
622.23810	0.5
641.42474	0.5
653.32959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02017	0.4
57.03332	0.9
59.01247	5.8
61.98680	0.4
69.03325	2.3
71.01244	3.1
71.04893	0.5
73.02826	0.9
73.55108	0.4
83.01269	0.5
83.04901	0.8
85.02836	1.1
87.00768	1.0
89.02303	2.9
93.03340	0.6
95.04939	0.6
95.86164	0.4
98.19580	0.3
101.02313	3.4
109.06461	0.8
113.02319	1.8
118.32079	0.4
119.03379	1.0
125.02345	0.4
129.79865	0.4
143.03391	0.4
145.04951	0.4
147.39520	0.3
149.09657	0.5
158.96875	0.4
161.04462	0.9
165.12798	0.5
167.10660	3.3
167.14374	0.8
175.67786	0.4
177.12804	0.5
179.05490	0.7
179.10677	0.7
179.14336	3.0
183.13834	6.6
191.86362	0.4
193.12270	2.2
195.13826	8.8
205.12253	8.3
207.10155	1.0
209.11787	1.1
211.13329	100.0
212.13676	4.1
223.13336	80.9
224.13646	4.1
233.91656	0.4
235.08156	3.8
253.09244	9.0
301.10049	0.4
373.23642	0.5
399.25266	1.1
417.26413	1.5
423.76270	0.4
429.21405	0.4
441.21167	1.0
447.22403	4.6
459.22342	7.5
460.22623	0.9
468.89099	0.4
469.04462	0.4
491.25531	0.4
510.00275	0.4
567.22504	0.7
577.24561	0.6
608.32330	0.4
635.34009	1.5
653.34564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
55.41470	0.2
57.03318	0.4
58.00473	0.2
59.01242	4.5
69.03321	2.2
71.01251	3.0
71.04888	0.6
71.05837	0.4
72.99158	0.2
73.02808	0.7
74.17398	0.2
74.19309	0.2
80.02554	0.2
80.03639	0.2
81.03329	0.3
83.01250	0.4
83.04899	0.5
85.02812	0.8
85.06457	0.3
87.00741	0.8
89.02315	2.3
93.03304	0.4
95.01269	0.2
95.04906	0.4
97.06455	0.3
99.00765	0.2
101.02328	2.9
109.06468	0.6
111.08034	0.3
113.02322	1.6
115.03924	0.2
119.03374	0.6
125.02360	0.3
131.03432	0.3
133.04909	0.2
135.11639	0.2
137.95306	0.2
143.03349	0.2
145.04921	0.5
149.09639	0.4
149.13274	0.2
155.10648	0.2
156.74571	0.2
156.93733	0.2
161.04480	1.2
161.13243	0.2
165.12686	0.3
167.10695	2.7
167.14305	0.5
177.12775	0.6
179.05528	0.5
179.10692	1.0
179.14316	2.6
180.14645	0.2
183.13820	6.6
184.14220	0.3
187.11166	0.3
193.12257	2.1
195.13826	7.1
196.14183	0.6
205.12277	8.2
206.12642	0.4
209.11736	0.5
211.13322	100.0
212.13663	5.2
223.13332	78.4
224.13683	4.7
235.08174	4.1
253.09253	8.0
254.09694	0.3
301.15909	0.2
314.74747	0.2
340.93433	0.2
344.40607	0.2
355.26367	0.2
357.57327	0.2
373.23871	0.2
399.25259	1.0
417.26489	1.2
418.26349	0.3
429.21030	0.5
441.21326	1.2
447.22321	5.1
448.22675	0.3
459.22302	8.0
460.22614	0.7
609.32465	0.3
635.34442	1.2
636.34839	0.2
653.35284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.2
57.03309	0.5
58.00469	0.2
59.01249	4.5
61.98701	0.2
69.03323	1.9
69.21363	0.1
69.40385	1.0
71.01252	3.6
71.04893	0.6
72.99172	0.2
73.02817	0.7
80.02552	0.1
81.03319	0.3
83.01250	0.6
83.04906	0.7
85.02813	0.9
85.06461	0.4
87.00757	0.7
89.02319	2.1
91.03916	0.1
93.03335	0.3
95.01276	0.4
95.04915	0.3
97.02819	0.3
97.06483	0.2
99.00783	0.2
101.02321	3.0
102.02589	0.1
108.05711	0.1
109.02843	0.1
109.06483	0.7
111.08070	0.3
113.02325	1.8
114.00898	0.1
119.03359	0.7
121.10135	0.1
125.02335	0.3
125.09637	0.4
131.03409	0.1
133.04967	0.1
135.11678	0.3
141.09125	0.1
143.03427	0.3
145.04958	0.5
145.85278	0.1
148.75331	0.1
149.09660	0.5
149.13235	0.2
151.11183	0.2
153.09117	0.2
155.10721	0.2
157.04933	0.1
161.04451	1.2
161.09650	0.1
161.13312	0.2
163.11247	0.2
165.12772	0.3
167.10699	2.7
167.14241	0.7
175.11215	0.2
177.12727	0.5
179.05536	0.6
179.10762	0.9
179.14323	2.8
181.12195	0.1
183.13828	6.9
184.14163	0.1
187.11121	0.2
193.12271	2.1
195.13834	7.7
196.14163	0.4
205.12273	7.5
206.12628	0.5
207.10295	0.4
209.11786	0.4
211.13332	100.0
212.13675	4.7
223.13339	78.5
224.13684	4.5
225.11316	0.2
235.08174	3.3
236.08621	0.1
253.09254	8.1
254.09555	0.4
276.21548	0.1
289.29089	0.1
327.26892	0.1
355.26578	0.3
373.23627	0.2
391.25006	0.2
399.25314	0.9
417.26514	1.1
418.26831	0.2
429.21408	0.5
441.21332	1.2
447.22308	4.2
448.22629	0.4
459.22351	7.4
460.22546	0.9
609.32770	0.6
635.34430	1.1
636.34369	0.2
653.34119	0.8
654.36945	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	653.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60227	0.6
55.01756	4.4
57.03320	4.3
58.00465	2.7
59.01249	48.8
69.03310	2.4
69.29068	4.0
69.29488	2.0
71.01252	77.3
72.01580	1.1
72.99176	5.2
73.02815	10.9
75.00743	1.3
81.03333	1.3
83.01260	8.7
84.02016	0.7
85.02821	42.2
86.03167	0.8
87.00750	7.1
87.04382	0.6
89.02316	46.7
90.02634	0.8
93.03314	3.4
95.01273	7.0
96.95864	1.0
97.02831	5.3
99.00090	0.9
99.00753	26.7
101.02322	58.0
102.02675	1.4
103.00248	0.7
109.02832	2.1
109.06519	0.6
111.00721	0.7
113.02328	53.4
114.02699	1.2
115.03912	1.1
119.03455	21.5
119.04913	84.1
120.05229	3.3
121.02815	0.7
122.03540	0.5
123.04395	0.8
125.02347	5.3
127.03883	0.6
128.51880	0.6
131.03403	3.1
137.02351	5.8
143.03389	20.6
145.02829	0.6
149.02428	0.6
149.04460	1.7
151.03929	5.4
155.03374	1.4
159.02899	3.4
161.04462	58.8
162.04802	1.9
165.05444	1.3
166.06293	8.0
175.03873	0.8
177.01863	0.6
179.03415	5.8
179.05511	15.8
180.04134	0.6
181.08583	7.1
193.04942	3.1
194.05663	1.8
203.05571	2.9
205.03436	1.9
209.08130	20.3
209.11552	1.3
221.06635	7.0
223.09705	0.7
245.06651	1.2
263.07556	0.9
267.03738	0.7
281.08148	9.2
285.04147	0.8
296.10455	1.4
311.12881	3.2
323.09811	100.0
324.10150	5.9
354.79114	0.7
431.09930	0.9
465.12741	0.6
502.29190	0.6
510.99225	0.7
635.31708	0.7
653.32043	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	649.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
59.26894	0.4
60.01598	0.7
60.06672	0.4
62.09157	0.4
62.80376	0.4
98.19761	0.9
102.63597	0.4
103.30618	0.4
129.12906	0.4
134.33148	0.4
151.78787	0.4
168.07756	0.4
169.95070	0.4
197.11853	1.4
205.12366	0.8
223.13326	8.4
281.43433	0.5
309.20813	1.9
475.28583	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82489	0.3
56.42854	0.3
59.01239	0.8
66.03337	0.5
71.01270	0.5
71.57942	0.7
72.00767	1.4
74.02341	6.8
74.74484	0.4
82.02849	4.1
82.06489	1.1
94.06491	0.8
97.00298	0.7
100.07564	0.4
109.03940	1.6
111.03158	0.9
112.03930	0.4
112.07553	0.7
116.04124	0.8
116.04942	13.1
125.03422	1.5
126.09154	0.4
127.05009	6.5
127.08636	0.8
128.03416	1.8
128.06989	0.5
129.10234	6.8
130.06514	0.9
130.08592	0.6
137.07118	0.6
138.05504	0.6
139.08647	2.1
140.07066	1.3
142.06540	3.9
143.11789	2.3
153.06563	1.2
154.07391	0.7
155.08173	7.4
155.11748	0.6
157.07654	0.8
159.09169	4.4
167.08177	0.4
169.09767	1.1
177.10254	5.2
178.08632	1.8
179.15437	0.9
183.73341	0.4
186.05630	0.6
187.10780	2.5
193.09702	0.5
195.11334	9.1
195.14922	0.8
196.11604	0.4
197.12917	0.5
197.16679	0.9
203.08197	18.6
204.08418	0.7
207.14984	0.7
208.13272	0.5
220.10855	18.8
221.09261	2.9
222.12450	0.8
223.10739	0.9
223.14420	1.2
224.17627	0.9
225.16023	3.6
238.09735	0.7
238.11946	7.7
240.13477	0.8
242.18735	3.2
250.15556	0.7
256.20267	1.9
265.15585	0.4
268.20285	0.7
272.17603	2.4
273.17636	0.4
300.19305	1.2
316.16647	2.5
351.20380	0.6
385.26077	2.9
403.27048	0.4
411.23950	0.6
429.24857	1.9
494.27548	1.1
508.29028	0.4
538.26636	0.7
540.31830	0.5
651.35114	100.0
652.35406	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	647.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34280	0.3
55.01782	0.3
57.03326	0.7
58.00481	0.9
59.01247	4.0
61.98706	0.4
64.73024	0.2
70.64802	0.9
71.01245	4.2
72.99181	0.5
73.02831	1.1
75.00787	0.3
75.85194	0.2
78.95800	0.3
80.02562	1.0
80.03854	0.3
81.03340	1.0
82.71384	0.2
83.01270	0.7
83.04893	3.9
84.02045	1.0
85.02824	1.3
87.00762	0.7
89.02312	3.2
89.02723	0.2
93.03380	0.3
95.01290	0.4
95.04906	0.6
96.95886	2.7
97.02831	0.3
97.06494	0.4
99.00771	0.4
101.02321	4.2
109.06541	0.2
111.08068	0.4
113.02318	2.0
119.03379	1.0
119.04893	0.5
121.02822	0.3
123.04364	0.3
125.02365	1.1
125.05951	0.4
125.09607	3.7
127.11169	5.4
128.11537	0.3
131.03392	0.3
133.04961	0.5
135.04391	0.3
135.08093	0.4
137.09624	0.9
139.11195	0.6
139.98793	0.3
143.03424	0.4
145.02837	0.3
145.04994	0.3
148.68306	0.2
151.00262	0.4
155.10652	1.7
157.12244	0.4
161.04471	2.1
163.03850	0.3
163.11200	3.4
164.11490	0.3
165.09100	2.0
165.12762	2.1
169.01311	0.7
171.10207	2.7
179.05534	0.6
181.12306	0.4
183.10237	0.6
185.11751	0.4
189.01619	0.3
191.10715	0.9
199.09682	2.3
201.11247	100.0
202.11584	4.3
209.11758	97.9
210.12119	4.5
221.11702	0.5
227.12825	12.5
228.13150	0.4
234.71431	0.3
235.08197	4.9
239.12839	0.7
240.23631	0.2
253.09250	19.0
254.09586	1.0
331.22699	0.6
341.07034	0.3
365.23395	0.3
375.21661	2.1
393.22769	1.3
405.17670	0.4
411.23810	0.8
437.20410	1.8
445.20767	1.2
495.12921	0.6
611.30328	0.7
629.31281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08044	0.5
59.01309	4.1
61.98736	0.7
68.77728	0.6
71.01248	2.8
71.58044	1.0
72.99216	0.9
73.02871	0.9
78.95813	0.6
80.02601	1.1
81.03379	1.2
83.04899	4.2
84.37346	0.5
85.02881	0.9
87.00790	0.6
89.02314	2.9
96.95882	3.8
98.95524	0.9
101.02326	3.1
102.81778	0.5
113.02406	1.7
125.02399	1.0
125.09692	0.7
127.00210	0.5
127.11216	0.9
135.08121	0.6
161.04521	1.7
163.11192	3.3
165.12759	2.2
169.12296	1.0
171.10214	0.9
181.12282	3.8
197.11775	3.4
198.12173	1.7
199.13336	100.0
200.13707	5.2
209.11768	98.1
210.12122	6.5
222.92935	0.7
227.12820	12.2
228.13129	0.7
235.08267	3.0
253.09239	15.4
254.09512	0.9
373.19818	0.6
391.24484	2.2
409.26120	0.7
417.70474	0.6
418.08182	0.7
435.22031	1.1
436.22540	0.8
445.20386	1.2
485.67722	0.5
572.17633	0.6
631.25519	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62558	0.9
64.05058	0.8
68.99685	2.1
69.70589	6.5
71.01245	1.6
83.01241	2.1
85.02815	2.9
85.74883	0.9
95.01243	1.4
98.19833	1.1
99.00800	2.2
111.00686	0.9
113.02319	2.5
113.99454	5.3
115.00224	1.9
117.03322	1.3
119.04907	100.0
120.05219	3.9
129.01761	1.2
139.00250	1.4
145.02800	2.1
157.01340	2.5
163.03906	73.4
164.04219	2.8
169.01320	1.8
213.07835	1.1
277.05658	7.5
297.80270	0.9
325.09259	4.0
337.07791	1.9
645.16626	52.7
646.17090	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	645.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15166	0.4
52.07748	0.5
58.49115	0.5
71.35353	0.9
83.01308	0.5
96.95851	0.9
107.01258	2.1
109.02832	1.5
121.02835	2.1
123.04414	0.5
125.02353	1.0
148.82236	0.4
151.00261	10.7
163.00264	1.4
163.03859	0.4
164.01102	0.6
165.01797	0.6
169.01340	1.5
178.99809	5.8
180.04199	0.6
187.03940	0.8
189.50594	0.5
195.06511	0.5
200.84338	0.4
227.03450	1.6
229.04912	0.9
239.03508	0.5
243.03017	2.8
245.04564	1.3
254.02185	1.0
255.02908	11.0
256.03418	1.0
262.93634	0.5
265.94092	0.5
271.02463	20.6
272.02841	2.4
273.04007	1.0
283.02606	1.3
299.01956	4.8
300.02734	56.0
301.03479	54.1
302.03903	2.7
304.05331	0.5
331.58209	0.5
445.07678	1.3
447.09280	100.0
448.09604	9.9
473.10992	0.6
545.21698	0.6
591.13501	13.1
592.13715	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62722	0.4
65.00182	1.0
70.88447	1.4
76.41895	0.4
83.01212	0.6
92.63958	0.5
107.01246	1.7
108.02079	0.7
108.64006	0.4
109.02824	1.0
115.13707	0.4
116.78056	0.4
121.02870	2.2
125.02285	0.8
135.00693	0.4
149.02284	0.7
151.00272	12.7
152.00635	0.5
159.04440	0.6
163.00284	2.0
169.01292	1.2
178.99763	5.3
211.03868	0.8
226.02591	0.5
227.03552	1.0
229.05020	1.2
243.02994	2.6
245.04521	1.0
254.02171	1.4
255.02939	11.8
256.03482	0.9
271.02448	22.8
272.02917	2.2
273.04004	1.2
283.02417	1.8
285.03986	1.0
299.01926	3.9
300.02719	59.8
301.03479	56.3
302.03915	3.5
445.07620	1.3
447.09290	100.0
448.09641	9.9
473.11127	0.8
591.13538	13.4
592.14099	2.3
645.15710	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16955	0.5
54.53951	0.4
57.90618	0.5
71.07736	1.1
83.01230	1.0
96.95895	0.6
107.01244	2.1
108.02023	0.7
109.02781	1.1
121.02834	2.5
125.02327	1.2
127.21946	0.5
134.14372	0.5
150.99104	1.1
151.00259	13.0
163.00240	2.0
169.01335	1.5
178.99776	6.5
227.03426	1.3
229.04990	0.7
229.13921	0.5
243.02850	3.0
245.04498	1.1
254.02171	1.3
255.02928	13.0
256.03366	0.8
271.02454	22.6
272.03027	2.2
273.04053	1.7
283.02512	1.6
285.03995	0.9
299.02017	3.5
300.02716	63.5
301.03485	59.3
302.03833	3.5
330.60223	0.6
445.07809	1.2
447.09271	100.0
448.09662	10.1
448.15320	1.0
473.10852	0.5
496.28140	0.6
591.13586	12.1
592.13983	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	643.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12466	0.2
55.00386	0.2
55.01780	0.4
55.47525	0.2
57.03321	0.2
58.00476	0.4
59.01244	3.2
60.04630	0.2
69.03365	0.7
71.01248	3.5
73.02852	0.7
80.02588	0.9
81.03370	0.9
83.01268	0.4
83.04890	4.5
84.02072	0.8
85.02869	0.7
87.00784	0.5
89.02312	1.6
95.04937	0.6
96.95904	0.3
101.02309	3.4
109.06557	0.3
109.09167	0.2
111.08076	0.2
113.02312	1.8
113.91357	0.2
119.03421	0.4
123.08070	0.3
125.02306	0.2
125.05984	0.5
125.09641	0.7
135.08086	0.4
141.09148	0.3
143.03482	0.2
145.04984	0.5
153.09116	0.4
153.12750	1.2
161.04443	1.3
163.11209	2.5
165.12750	2.5
169.12253	6.7
170.12624	0.3
171.10141	1.1
179.05536	0.5
179.10632	0.5
181.12227	0.5
191.10667	1.0
197.11757	100.0
198.12094	5.3
199.13309	0.7
201.11232	2.0
204.62207	0.3
209.11760	90.6
210.12086	5.2
211.13347	0.6
213.41386	0.2
223.13368	1.3
227.12828	13.4
228.13191	0.8
235.08199	4.1
235.13345	1.2
253.09254	9.0
254.09610	0.4
349.97623	0.2
389.23068	0.6
433.20746	2.9
445.20523	0.9
459.22321	0.3
607.30811	0.8
625.31824	0.6
666.92688	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00175	0.9
55.01757	1.8
56.12597	0.6
57.03323	6.0
59.01248	7.3
63.28674	0.7
64.83833	0.9
67.01757	1.1
68.99682	1.3
69.03325	6.7
70.23370	2.3
71.01249	18.5
72.99161	1.6
73.02814	12.5
75.00739	0.9
78.95792	0.8
79.82619	0.7
81.03326	1.7
83.01251	4.4
83.04904	0.9
85.02820	58.8
86.03158	0.8
87.00745	100.0
88.01074	1.0
95.01252	8.5
97.02824	27.5
98.03143	0.7
98.19831	1.0
99.00771	1.5
99.04381	1.5
101.02321	2.1
103.03888	9.6
109.02814	1.6
111.00756	2.1
113.02330	39.3
115.00255	11.9
115.03859	1.9
119.96585	0.7
125.02353	0.8
127.03911	1.1
129.01810	2.4
139.00272	2.1
143.03433	0.7
157.01311	9.3
173.04456	3.4
175.02391	64.4
176.02711	0.9
191.05511	0.9
201.46960	0.8
210.04570	0.7
217.03468	22.7
218.03947	1.0
303.07184	26.4
304.07535	1.8
321.08218	11.0
356.18625	0.7
377.27789	0.8
381.10315	1.3
437.09186	0.8
467.20804	0.9
479.10452	10.7
497.11569	1.1
539.12488	17.0
540.12579	1.5
625.16235	9.9
626.17352	0.8
643.17285	33.6
644.17670	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	643.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88702	1.9
55.01733	2.7
57.03314	5.3
59.01245	7.2
69.03334	8.4
70.74493	3.4
71.01255	13.9
73.02802	9.5
73.56831	1.8
74.35341	1.8
79.53285	1.9
83.01241	4.0
85.02819	61.5
87.00746	100.0
92.48335	1.8
95.01247	7.3
97.02818	24.5
99.00773	2.0
100.29761	1.7
101.02340	2.0
103.03899	10.5
113.02329	43.8
115.00230	11.1
115.03896	1.7
118.69286	1.9
125.02378	2.1
127.03909	2.5
139.00188	2.8
157.01331	9.1
173.04419	2.5
175.02385	65.0
182.75945	1.6
209.79597	1.7
217.03493	21.2
303.07205	30.7
321.08139	8.9
479.10263	11.9
497.11768	3.8
518.34094	1.9
539.12366	16.8
625.16522	11.2
643.17267	35.4
644.06482	1.8
644.17303	4.7
656.03876	2.0
668.58081	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	642.131
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33368	0.6
61.98701	79.7
67.78362	0.5
88.87728	0.5
92.25375	0.5
95.88108	0.6
107.01270	1.1
109.02840	0.9
121.02836	1.6
142.32332	0.6
147.79927	0.6
151.00279	7.3
154.99834	0.7
163.00333	0.8
164.76489	0.6
178.99783	4.1
179.19025	0.6
192.00537	0.6
194.00937	1.5
195.01128	0.5
220.10617	0.5
227.03461	0.6
243.03011	1.9
254.02139	0.7
255.02969	5.2
256.03436	0.6
271.02441	14.3
272.02908	1.5
298.95117	0.5
299.01950	6.7
300.02734	41.8
301.03488	38.4
302.03851	2.3
433.07816	0.6
447.09296	100.0
448.09656	10.6
535.56104	0.6
557.10242	0.6
579.13385	4.1
641.37653	1.3
643.15369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80448	0.1
59.01242	1.7
69.03314	0.2
69.98170	0.6
71.01245	1.4
71.63074	0.1
72.99162	0.2
73.02807	0.4
81.70214	0.1
83.01218	0.2
83.04907	0.3
85.02808	0.3
87.00743	0.4
89.02299	1.2
97.06465	0.1
101.02322	1.6
108.19224	0.1
113.02308	0.7
114.21926	0.1
119.03368	0.3
143.03380	0.2
145.04942	0.1
155.10704	0.2
161.04431	0.5
165.12720	0.2
167.10698	0.3
167.14340	0.6
175.29089	0.1
179.05609	0.3
183.13820	6.3
184.14082	0.3
193.12247	1.6
194.12633	0.2
197.11652	0.2
199.13277	0.2
209.11862	0.3
211.13321	100.0
212.13658	6.1
217.00395	0.2
235.08189	1.7
253.09247	4.1
254.09521	0.2
271.02438	0.1
377.14093	0.1
379.24911	0.1
387.25348	0.5
405.26486	0.4
429.21335	0.4
447.22345	4.7
448.22708	0.5
494.15472	0.2
597.32941	0.1
623.34277	0.7
641.35571	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99539	0.1
59.01243	1.7
68.68108	0.1
69.03307	0.3
70.49416	0.5
71.01247	1.6
73.02805	0.4
77.98958	0.2
83.01283	0.2
85.02822	0.3
87.00764	0.4
89.02319	0.9
95.04921	0.1
96.01414	0.1
96.95885	0.2
99.00712	0.1
101.02313	1.7
113.02325	0.6
119.03412	0.2
145.04913	0.2
155.10643	0.4
161.04453	0.6
167.10641	0.4
167.14348	0.5
179.05522	0.2
181.12308	0.2
183.13817	5.7
184.14149	0.3
193.12280	1.6
199.13348	1.1
211.13324	100.0
212.13664	5.3
223.13341	1.2
235.08163	1.6
253.09236	4.2
254.56337	0.2
255.45348	0.1
369.14438	0.2
387.25409	0.6
400.59628	0.2
405.26407	0.5
429.21249	0.8
447.22302	4.4
448.22672	0.4
455.66995	0.2
623.34296	1.1
641.35156	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77320	0.1
59.01236	1.7
65.39249	0.2
69.03304	0.4
69.26978	0.1
69.69926	0.2
70.63586	0.5
71.01241	1.5
73.02806	0.4
83.04898	0.3
85.02825	0.4
85.28191	0.1
87.00739	0.4
89.02293	0.9
95.01251	0.2
101.02323	1.2
113.02313	0.7
119.03356	0.5
125.02309	0.2
130.90477	0.1
135.28244	0.1
145.05016	0.2
161.04468	0.6
165.12733	0.3
167.10698	0.3
167.14319	0.7
183.13817	6.0
184.14226	0.3
193.12244	1.8
211.13318	100.0
212.11609	0.3
212.13657	5.5
235.08151	1.7
253.09242	4.2
331.98203	0.2
387.25317	0.5
405.26382	0.5
429.21301	0.5
447.22296	4.5
448.22656	0.5
523.45776	0.2
623.34161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	2.1
67.01743	1.8
70.91135	3.4
71.01252	10.1
72.99180	2.0
85.02800	1.3
85.75465	1.1
89.02303	1.3
92.58128	1.4
93.03320	4.4
95.01245	2.4
96.95848	2.0
97.02840	2.5
97.83632	1.2
101.02293	2.1
107.01265	12.4
111.00774	2.5
112.26215	1.2
113.02336	2.3
115.00225	3.2
119.04913	27.8
123.00748	22.4
125.02327	74.2
126.02635	1.4
127.00269	1.7
131.04912	3.3
133.95547	1.3
136.98709	2.4
137.02371	2.0
139.00229	3.9
140.01035	4.8
141.01785	3.1
145.06459	1.6
151.00264	15.8
151.03821	1.5
153.01826	2.8
163.03932	8.3
167.03404	2.2
168.00624	5.7
169.01329	100.0
170.01672	4.1
179.03407	1.4
188.23283	1.2
203.03369	6.9
210.06712	5.8
211.02399	2.9
211.07558	26.9
237.09157	4.9
239.10663	5.0
241.03496	1.8
253.03484	1.5
253.08644	1.7
264.97595	1.4
265.08658	2.3
313.05640	43.9
314.06036	2.8
348.38760	1.6
358.91599	1.2
373.12772	1.8
447.21899	1.4
473.10602	2.3
477.10150	8.3
517.09729	32.0
518.10071	4.6
525.13947	62.4
526.14209	7.5
553.18066	1.9
579.15100	4.9
596.30566	1.3
623.13989	35.9
624.14496	7.1
641.15088	34.1
642.15149	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	641.1355
Annotation	Quercetagetin 3,7-diglucoside
Peak:m/z	Relative Intensity
51.01250	3.0
59.01228	3.5
59.50198	2.7
63.02262	9.4
65.00211	13.9
68.99670	3.1
69.42439	25.7
72.99180	4.1
83.01251	9.9
95.01250	7.7
99.00732	5.4
107.01256	22.0
109.02832	28.4
111.00765	15.2
121.02826	6.2
122.82713	2.9
123.00762	15.0
124.98677	3.4
125.02312	11.0
127.06989	3.0
133.02814	4.0
135.00731	6.9
136.98668	6.1
137.02399	6.8
137.99542	3.6
139.00261	25.6
139.03833	3.3
141.01772	4.0
149.02306	9.3
149.99484	6.3
151.00270	69.9
151.03918	3.5
153.01846	6.6
154.99770	9.5
158.03572	3.8
159.04396	5.4
161.02284	5.6
164.01031	4.7
165.98920	3.7
166.99771	10.2
168.00742	3.2
169.01381	21.2
175.00275	7.6
175.03902	9.3
177.01894	4.3
177.98961	10.6
178.99779	100.0
180.00191	5.9
181.01347	6.2
187.03922	11.3
189.01845	4.0
190.99789	5.7
191.03436	4.2
193.01343	5.5
194.99339	9.0
199.03880	6.4
201.01849	5.6
202.02496	4.7
203.03413	8.5
207.02901	2.7
215.03444	10.2
217.04938	5.8
219.02930	3.9
229.01358	5.2
230.02147	5.7
231.02924	6.2
232.03658	6.4
233.04529	20.4
242.02071	7.0
243.02829	19.5
245.00841	6.3
245.04518	7.8
247.02350	5.9
255.02510	3.2
257.00803	5.2
258.01694	8.5
259.02380	10.6
260.03253	3.6
261.04028	6.9
269.00845	5.3
270.01498	4.6
271.02411	26.7
286.01257	13.6
287.01965	34.7
288.02625	6.7
289.03516	12.4
297.00601	7.9
299.01953	3.8
301.03384	6.0
305.02802	5.0
314.00674	6.3
315.01410	58.0
316.01855	7.1
321.66794	3.1
331.00757	3.9
332.01691	14.5
333.02515	23.8
343.06354	5.3
348.19995	3.5
379.10388	7.5
433.07535	5.2
449.07382	4.3
451.08655	8.9
461.07220	13.9
462.07458	3.4
477.06595	35.7
478.07443	7.2
479.08240	44.6
480.08585	4.5
480.33215	3.5
489.71329	3.3
494.07068	4.4
495.07776	53.8
496.08267	5.8
501.11725	4.5
641.13605	34.1
642.14764	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	641.1355
Annotation	myricetin 3-O-gentiobioside
Peak:m/z	Relative Intensity
58.22842	1.5
59.01248	5.6
59.76223	1.8
70.64778	1.9
71.01231	3.1
72.99173	3.4
83.01237	2.8
91.22460	1.6
93.55564	1.6
95.01281	3.0
103.00220	1.7
107.01256	4.4
109.02847	3.8
109.99976	9.1
111.00809	4.4
119.04933	2.4
121.02862	2.1
123.00764	6.8
124.01566	4.9
125.02313	4.3
133.02856	2.3
136.01526	1.7
136.98724	1.9
137.02319	2.1
137.99490	4.4
139.00279	13.2
146.00458	1.7
146.03627	1.7
149.02339	3.6
151.00269	16.9
152.01010	5.0
159.04333	2.3
161.02400	2.0
163.00256	2.7
164.01054	4.8
165.98987	13.4
166.99719	4.0
169.01398	4.6
171.04468	3.3
178.99773	16.4
187.03922	3.4
189.01926	2.1
192.00500	1.9
194.99240	3.0
197.81693	1.9
198.03166	2.7
199.03963	6.0
201.01839	2.3
203.03462	4.1
214.02733	3.9
215.03372	7.1
226.02579	2.0
227.03438	10.5
229.01416	1.9
231.02817	5.0
242.02193	7.1
243.02950	14.2
244.03575	2.8
255.02971	7.0
259.02496	7.6
270.01672	8.0
271.02451	58.1
272.02930	8.6
273.04001	3.0
287.01984	23.7
288.02576	8.3
298.01096	4.6
299.01965	60.1
300.02390	7.2
315.01492	7.2
316.02200	97.9
317.02792	22.4
318.03540	2.3
456.73376	1.9
461.06995	2.9
479.08322	3.0
479.16769	1.8
623.12439	5.9
641.13568	100.0
642.13690	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	639.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	2.2
57.03311	4.3
58.00460	2.4
59.01247	28.8
65.03838	2.3
70.63422	3.4
71.01249	31.1
72.99168	2.8
73.02800	5.3
75.51171	0.8
79.33002	1.0
80.02544	1.3
81.03323	3.1
83.01260	4.6
83.04900	9.2
85.02828	9.8
85.06438	3.4
85.99988	1.1
87.00747	11.9
89.02309	12.6
91.03846	1.2
91.05421	2.0
93.07010	1.0
95.01259	3.3
95.04877	2.8
97.02833	1.5
97.06462	5.5
99.00754	1.9
100.32481	1.1
101.02314	22.5
105.06939	1.1
107.04893	1.0
107.08490	1.2
109.06458	4.6
111.04449	1.8
111.08041	9.8
113.02337	12.4
115.03853	1.4
119.03391	3.3
119.04909	2.7
121.10151	1.0
123.08024	2.4
125.02314	2.8
125.09604	13.6
127.03935	1.4
127.11156	2.6
130.04143	1.1
131.03328	1.1
133.04976	1.4
133.10092	0.9
135.08055	2.8
137.09612	3.8
143.03389	1.7
145.04985	5.8
145.06030	1.0
149.09628	1.0
151.11157	1.4
153.09088	1.5
157.04968	1.0
161.04495	5.5
163.11197	2.1
166.77980	1.0
169.26611	0.9
171.10173	100.0
172.10513	3.5
179.05487	1.7
183.13791	3.1
185.11761	2.3
187.14668	1.4
189.16422	2.3
191.10617	1.7
193.12299	1.3
197.11681	1.2
201.12872	1.2
201.14810	1.2
203.14293	1.2
205.15889	7.6
207.13782	1.3
209.11768	42.1
210.12083	3.2
211.13339	40.6
212.13622	2.7
213.12862	1.3
215.14336	8.0
221.15430	5.0
231.13852	9.5
233.15408	44.0
234.15767	1.9
235.08179	17.4
235.13290	1.2
237.15050	1.7
239.16612	1.9
249.14920	51.3
250.15302	2.6
251.16464	2.2
253.09238	12.0
263.16519	1.5
273.15070	1.1
283.19119	1.2
309.20755	1.2
313.25568	1.5
323.23608	1.3
331.26538	3.0
341.24814	10.5
342.25009	1.5
349.21732	1.2
357.24438	2.0
359.25873	3.0
367.22687	5.7
375.25223	7.0
377.26697	1.2
385.18713	1.6
385.23788	33.9
386.24094	4.8
393.12943	1.1
393.26288	1.2
403.24844	65.8
404.25244	8.9
407.19275	2.9
421.25842	18.7
422.26157	2.3
467.23093	1.3
477.28702	1.4
485.23917	4.7
495.29498	1.1
559.59570	1.1
603.31586	1.7
611.34448	3.9
621.32739	91.8
622.33044	14.5
639.33826	74.4
640.34070	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	639.1562
Annotation	CHEBI:67938
Peak:m/z	Relative Intensity
52.63329	0.4
59.01236	0.8
69.43964	0.9
69.44365	3.3
71.01236	2.0
73.02794	0.5
73.79591	0.4
74.64264	0.3
74.97493	0.4
81.50584	0.4
83.01249	0.6
93.03361	0.4
95.01273	0.8
97.02792	0.5
101.02271	0.9
107.01275	2.7
107.29429	0.4
111.00764	0.7
113.02345	0.7
117.03341	2.1
119.04914	17.9
120.05222	0.8
123.00753	5.4
125.02327	19.0
126.02646	0.7
128.80037	0.4
139.00250	1.3
140.01035	0.5
145.02850	11.5
146.03137	0.5
150.12517	0.4
151.00249	4.0
161.05934	0.4
163.03909	14.1
164.04231	0.5
165.05424	0.6
166.99802	0.5
168.00537	1.6
169.01329	36.7
170.01675	1.7
179.03444	0.5
205.04843	0.5
205.29172	0.5
211.02429	1.5
241.03456	1.1
253.03221	0.5
313.05637	25.5
314.06116	1.9
433.11313	0.5
459.09152	1.4
477.10330	100.0
478.10684	13.3
519.11011	0.9
639.15625	7.3
639.25470	0.7
640.15826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
57.03310	2.0
59.01249	11.0
60.15986	0.4
65.03828	3.1
66.23100	0.5
67.93697	0.5
69.03306	1.8
71.01251	13.6
71.57540	0.6
72.99163	1.2
73.02829	2.5
81.03313	1.5
83.01241	1.5
83.04881	1.2
85.02806	3.6
87.00742	4.6
89.02316	4.4
91.05400	1.7
93.03326	0.8
95.01263	1.0
95.04893	2.1
97.02821	1.2
97.06472	2.5
99.00745	1.2
100.17783	0.5
101.02325	8.3
103.05424	0.5
105.06976	1.1
107.04908	1.2
109.06465	2.4
111.08038	1.0
113.02316	5.1
115.05429	3.5
117.06987	1.1
119.03353	1.2
119.04915	1.1
119.08515	0.6
121.02823	0.7
121.06460	0.9
123.08012	1.5
125.02328	1.4
125.09608	11.8
129.01697	0.5
129.06996	0.6
131.03333	0.5
133.06471	0.8
133.83374	0.4
135.08023	2.4
145.02771	0.4
145.04939	2.6
153.09065	0.7
157.10141	0.7
159.11595	0.6
161.04495	1.7
163.11217	1.2
171.10172	6.1
175.11250	0.5
179.05563	0.6
183.10138	0.9
185.11723	3.9
185.13235	0.9
187.09663	1.8
187.14816	4.9
188.15179	0.6
189.12660	0.9
191.10698	1.3
195.11740	1.0
201.12805	1.0
203.14293	1.4
205.12267	1.4
207.10088	0.6
209.11755	11.5
211.13281	1.2
213.12779	6.7
215.10678	1.1
217.12227	0.7
221.15355	1.0
227.14259	0.7
229.12352	1.0
231.13841	15.6
232.14149	0.5
233.11697	2.0
235.08156	4.0
235.13358	1.5
247.13345	3.1
249.14929	3.2
253.09210	1.8
261.15045	1.1
275.16434	0.6
285.14896	0.8
289.14749	0.7
321.22198	0.8
329.24838	2.0
339.23291	3.0
347.19937	0.5
355.22659	1.8
357.24277	2.4
365.21356	2.6
373.23853	4.1
383.22269	16.9
384.22513	1.6
391.24814	2.2
401.23303	19.6
402.23550	2.4
405.18033	0.6
419.24368	5.5
445.20428	1.0
457.26401	0.8
475.27023	0.7
593.30298	0.5
609.32983	1.6
619.31183	100.0
620.21545	0.8
620.31512	14.9
637.32227	22.6
638.32617	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	637.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28202	0.9
54.55604	0.9
59.01254	7.8
69.04464	0.8
69.77920	5.1
85.57995	0.8
102.58489	0.9
125.02318	1.3
211.13382	1.0
316.06213	1.0
375.70807	0.9
433.16293	9.6
434.17383	7.1
447.18118	7.7
448.18954	10.2
449.19763	4.6
450.20062	1.1
461.19968	2.1
462.20886	11.2
463.21558	7.8
476.18179	1.3
477.19165	1.6
489.19510	1.2
492.17920	2.0
493.18643	3.5
506.19513	3.4
507.20563	6.5
520.18121	1.0
521.22131	20.3
522.22272	3.6
524.50189	0.9
535.19745	2.7
536.20990	1.6
550.21826	2.1
551.22870	3.1
593.23956	3.6
594.24658	3.2
608.26447	17.9
609.27106	7.7
622.23773	4.8
623.25452	2.3
637.26587	100.0
638.26990	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	637.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03299	1.0
58.00451	0.9
59.01252	18.4
63.62549	0.7
71.01251	19.0
71.26199	0.8
71.58515	0.9
72.15594	0.9
72.99175	1.5
73.02817	1.2
78.95768	2.0
83.01229	0.9
83.04893	2.3
85.02809	3.1
87.00736	1.6
88.41017	0.6
88.98673	0.7
89.02310	16.7
93.03408	0.7
95.01249	0.9
96.95865	4.1
101.02322	11.6
101.38379	0.7
107.29610	0.7
113.02309	5.6
119.03381	7.0
119.04850	0.7
120.71438	0.6
125.02331	1.7
129.90332	0.7
135.07991	0.8
142.86063	0.9
143.03372	1.2
145.02859	1.4
151.03941	1.1
161.04456	1.7
163.03909	1.2
163.11241	1.3
165.12668	0.9
171.10144	0.9
179.05565	4.1
207.17593	0.7
209.11754	49.6
210.12105	2.2
235.16988	2.3
236.43806	0.9
238.68089	0.8
253.09308	2.2
253.17999	6.4
397.22137	6.1
398.22778	1.6
401.23428	0.8
415.23343	100.0
416.23730	11.5
457.24258	2.4
637.32605	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01230	0.7
61.98703	14.0
65.00183	1.2
71.01243	1.4
71.58598	0.6
72.99181	0.6
78.95771	0.5
83.01261	1.0
87.04378	0.6
93.03352	0.5
96.95891	1.4
103.02557	0.3
107.01275	2.3
108.02015	0.8
109.02833	1.4
119.04899	0.6
121.02857	2.0
123.00710	0.5
124.01500	0.4
125.02312	1.1
135.00790	0.4
148.01547	0.7
149.02286	0.5
151.00272	9.1
163.00308	3.1
163.03830	0.3
164.00946	0.6
169.01320	1.6
170.35336	0.3
178.99779	5.3
189.05463	0.4
190.99770	0.5
194.00940	0.4
199.03929	0.4
201.05591	0.5
211.03941	1.1
212.32690	0.3
217.05037	0.4
226.02632	0.8
227.03433	2.0
229.01138	0.4
229.04936	0.9
243.02942	3.9
244.03310	0.5
245.04514	1.9
254.02156	1.1
255.00255	0.9
255.02950	16.6
256.03308	1.1
265.07010	0.4
269.17548	1.0
271.02463	26.7
272.02902	2.0
273.04031	1.0
273.74854	0.4
283.02475	5.1
285.04028	1.0
299.02039	1.0
300.02737	61.2
301.03494	45.4
302.03851	2.1
313.03217	0.4
321.24121	0.4
343.04623	0.6
428.07599	0.6
447.09296	100.0
448.09659	9.8
521.33044	0.7
575.14026	4.3
637.34143	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50657	1.0
59.01253	5.9
65.00204	3.3
65.99716	3.2
71.01260	4.6
72.99176	1.5
83.01259	3.3
85.02802	2.1
85.75822	1.1
93.03333	2.2
95.01272	3.0
96.95891	1.4
98.20533	2.8
104.73238	1.3
107.01265	6.0
107.62372	1.0
108.02036	3.3
109.02840	21.8
111.00783	2.4
118.02865	4.6
119.01292	2.4
121.02814	3.4
122.02343	2.1
123.00771	6.0
123.04417	1.7
124.01541	2.7
125.02354	6.5
130.02910	1.6
133.02800	2.9
134.02367	8.7
135.00764	4.3
137.02336	31.7
139.00287	9.7
139.03894	1.9
146.02393	4.9
147.00778	7.9
147.03185	1.7
148.01563	19.4
149.02348	15.5
150.03079	1.4
151.00270	18.4
151.03908	2.0
152.00967	1.3
153.01840	6.9
158.02380	3.9
161.02342	2.4
162.01871	20.2
163.00273	16.9
163.02614	3.1
163.03891	2.0
164.01169	1.0
164.03412	23.1
165.01840	3.4
166.99783	3.2
167.03387	1.8
169.01360	2.5
174.01793	1.6
175.00270	8.3
175.02534	1.6
176.01024	7.2
176.03416	1.6
177.01852	38.3
178.02196	2.2
178.04988	1.5
178.99770	10.7
179.03409	2.6
181.01285	2.0
183.04648	1.2
186.01872	17.8
187.03925	1.7
188.03419	1.3
189.01917	1.9
190.01370	13.2
190.99814	4.9
191.01927	2.5
191.03525	1.9
193.01312	5.1
194.99043	1.3
198.03210	1.2
199.03957	1.5
202.01390	4.4
202.99805	4.0
203.02150	12.0
204.02956	40.2
205.01517	1.4
205.03381	2.6
206.04451	2.0
208.02322	1.5
211.03944	1.9
214.01202	2.1
215.03461	2.3
219.02882	2.8
220.02411	5.0
222.04025	3.2
227.03395	4.6
230.00873	7.5
242.02267	2.4
242.04622	1.5
243.02913	5.6
245.04491	2.4
254.04594	1.4
255.02940	4.5
268.03574	1.5
269.04630	1.7
270.01736	3.2
271.02475	17.7
271.05072	2.1
272.03168	4.5
273.03973	3.5
280.05975	5.6
283.02341	1.5
284.03091	1.8
285.04083	3.7
286.03745	1.3
287.01950	8.7
288.02475	1.5
289.03494	2.5
294.04034	2.8
295.02374	2.1
296.05606	1.5
299.01935	18.7
300.02408	7.8
300.05621	1.6
301.03491	4.2
310.03580	4.8
312.02390	1.7
312.05481	2.0
313.03406	9.6
313.09317	4.1
314.03586	1.9
315.01505	4.2
316.02148	23.3
317.02930	17.4
321.02826	1.4
322.03549	10.8
323.04181	1.5
323.07706	2.0
327.07187	8.3
329.13934	2.1
338.03119	6.6
339.03738	11.9
339.07367	7.4
340.04590	28.6
341.04889	3.3
341.08835	4.0
350.08835	3.8
356.03918	2.4
357.04846	5.9
358.05658	24.1
368.09833	49.4
369.10236	4.0
394.02655	1.9
394.07773	30.7
395.08069	2.0
445.07559	5.2
447.09116	3.7
449.07242	13.2
454.07748	2.4
463.08789	17.2
464.08823	1.8
471.11459	40.4
472.08490	23.4
473.09177	2.6
477.10355	2.0
486.10275	12.0
487.10696	2.3
490.09927	13.0
504.11523	100.0
505.11658	15.2
595.12946	6.7
618.14838	7.8
619.14862	1.8
636.15674	81.3
637.15680	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	633.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.01575	1.1
70.93145	0.5
78.95784	1.6
98.68570	0.6
144.64287	0.5
152.99495	0.6
195.13902	0.8
201.64850	0.6
205.12329	1.1
223.13353	7.1
224.13788	0.6
247.05028	0.6
293.21179	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	635.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24985	1.2
78.64494	1.5
78.95776	22.1
82.38389	1.2
96.96848	1.8
98.20577	3.1
144.03735	1.2
152.99486	16.6
171.00623	1.9
171.10173	40.9
172.10503	4.1
188.35381	1.3
227.03258	1.3
253.21753	5.1
255.23209	12.8
256.23532	3.6
391.22449	2.3
396.83817	1.5
399.14188	21.8
410.81613	1.3
415.16025	1.4
419.18948	1.7
430.13834	2.9
431.18918	3.5
433.20172	2.6
445.16241	3.6
458.17511	2.9
460.14914	1.6
473.19818	5.3
474.16684	8.5
475.17593	6.3
487.17603	3.0
488.18375	6.7
489.19424	6.9
490.20239	6.2
501.19440	2.1
505.22156	7.1
516.17804	2.1
549.21405	2.6
559.23480	2.3
560.20618	2.5
575.22980	15.4
576.23633	8.8
617.34918	1.6
635.25153	100.0
635.35522	7.8
636.25537	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	633.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.5
59.01249	7.9
61.98703	1.4
63.38074	1.0
68.32169	1.1
71.01250	7.7
71.58444	1.6
72.99188	1.6
73.02815	1.4
73.53922	1.2
81.03309	2.3
83.01254	1.6
83.04880	4.5
87.00748	2.9
89.02332	5.0
95.04902	1.9
96.95901	2.9
97.02846	1.3
97.06476	12.9
101.02316	6.3
109.02813	2.0
113.02346	2.4
113.11176	1.0
119.04884	1.1
123.04331	1.4
123.08009	5.7
125.02343	3.5
125.09607	100.0
126.09932	3.6
126.90322	2.3
127.00001	1.9
127.05017	1.4
137.02295	1.5
143.10715	2.0
145.02832	1.8
151.00380	1.3
151.03915	2.4
161.02313	1.5
163.03983	1.2
163.11214	2.3
165.12695	1.6
169.01306	1.4
169.08630	2.4
171.10185	10.1
179.05525	1.3
187.09673	65.2
188.10046	2.5
201.11234	2.2
209.11768	62.2
210.12183	5.7
225.11301	3.5
227.12886	5.3
230.25092	1.1
231.99431	1.1
235.08192	2.9
237.20993	1.2
253.09312	3.8
405.17526	6.0
423.18753	15.3
424.18988	1.6
615.30103	7.4
616.30823	1.6
633.31268	82.4
634.31421	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01227	4.7
71.01245	5.6
71.04887	15.7
71.58329	2.1
75.00756	1.9
77.03857	2.5
78.95775	5.4
79.01770	2.7
80.50150	1.4
83.01272	2.8
89.54253	1.6
93.03354	2.2
95.01230	1.8
96.95872	6.9
97.02811	2.9
101.02335	1.6
103.00201	1.5
107.01266	8.6
109.02841	5.8
111.00725	3.8
112.50498	1.5
113.02356	1.9
119.03384	1.6
119.04910	2.6
121.02860	11.8
122.03612	2.6
123.00776	9.0
123.04392	6.4
125.02328	40.6
126.02608	2.6
133.02850	3.6
135.04413	1.8
137.02318	7.4
138.03152	2.1
139.00224	2.4
139.03911	54.5
145.02821	5.2
147.04436	3.0
149.02348	12.9
150.03143	12.1
151.00266	5.7
151.03917	8.6
152.99490	2.7
161.02339	12.3
162.15508	1.7
163.03883	2.7
165.01868	12.7
165.05518	14.6
166.02620	13.1
167.03369	3.7
168.00517	3.4
169.01329	58.6
170.01717	3.5
171.04213	1.7
174.03151	1.7
175.03908	7.3
176.04683	3.1
177.01834	18.0
179.03435	12.9
180.04108	3.3
181.80591	1.7
183.02904	2.7
185.06041	2.2
188.04657	2.4
189.01993	2.8
189.05516	3.8
190.02644	5.6
191.03369	3.7
191.06973	1.7
193.01315	13.7
193.04979	2.1
194.05719	9.7
195.06538	17.2
199.04007	2.6
203.07042	5.0
209.08115	16.5
211.02324	2.0
213.05409	5.7
216.04076	2.6
217.05020	7.2
218.02121	6.4
227.03381	2.1
227.06932	2.0
231.06554	11.3
244.03073	1.4
245.08195	2.4
254.05948	2.4
255.06602	14.6
261.88004	1.7
269.04590	2.4
271.06107	2.3
273.07657	14.2
289.07214	2.4
298.04807	17.8
299.05573	68.1
300.06015	2.8
313.05676	26.6
317.06668	2.1
339.07117	3.9
373.12698	2.7
375.52094	1.7
461.10892	7.5
463.08862	2.9
479.11536	8.6
491.08301	6.5
587.14154	2.8
613.11914	54.2
614.12347	7.7
631.12988	100.0
632.13544	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	629.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
63.06342	2.3
70.81097	4.4
70.81466	4.7
72.99178	17.0
75.93822	2.4
91.05400	9.8
97.50291	2.3
115.05400	4.1
117.03343	5.1
124.02175	2.0
131.04898	4.8
147.04477	2.5
149.05986	47.9
163.03877	14.3
177.05476	12.3
237.95378	2.3
239.05565	100.0
240.05881	5.7
286.24466	2.1
323.64096	2.4
535.26074	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
58.87123	0.9
59.01249	100.0
71.15449	2.7
72.99191	1.2
78.85893	1.0
93.03330	1.4
95.01249	1.0
96.95901	1.2
101.02309	1.8
103.00242	5.2
107.01242	1.3
119.04891	1.4
121.02839	3.2
122.03638	2.6
123.00745	2.1
123.83456	1.0
125.02345	4.4
133.02847	1.5
137.02283	1.6
146.03702	1.3
147.04466	1.5
149.02347	37.3
149.03552	2.2
150.03134	41.5
151.00296	1.8
151.03522	1.6
153.05472	1.4
159.04459	1.3
160.05289	1.1
163.04041	1.0
164.04695	15.0
165.05478	55.4
166.05823	2.0
166.99802	1.1
169.01315	3.8
174.03128	1.2
178.53091	0.9
180.04169	4.1
181.04980	4.0
182.53494	1.1
183.04430	1.5
187.03883	1.4
188.04735	3.2
189.05461	2.9
191.03384	2.0
193.08641	3.9
194.88971	0.9
195.06548	53.0
196.07196	5.2
197.08102	3.0
203.03380	1.1
211.04008	1.6
211.09680	7.3
215.03400	1.0
217.05013	8.3
224.13680	1.1
227.03436	2.8
239.03427	1.5
243.02957	1.7
255.03033	1.8
283.02295	1.2
285.03796	1.6
299.01843	1.5
301.03448	2.2
313.10831	1.3
338.55457	1.0
344.12576	14.7
345.12946	1.2
359.14981	86.2
360.15201	9.4
389.16019	2.4
407.17068	58.3
408.17361	5.8
453.14233	2.4
477.10132	2.8
481.13617	5.4
539.14374	1.0
585.13306	1.2
611.13202	1.0
629.13446	21.5
629.36224	1.1
630.13629	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	629.151
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00797	1.1
71.01246	3.1
71.58230	2.6
73.50587	1.3
79.01768	11.5
79.02174	2.0
85.06464	11.7
96.95859	2.2
101.02340	1.2
107.01268	84.5
108.01588	1.9
109.02849	2.3
109.79891	1.5
111.00723	1.3
111.04446	1.4
123.00757	5.4
125.02331	27.6
127.44789	1.4
133.02817	2.3
134.03658	1.6
135.04408	98.0
136.04747	2.6
139.00240	2.8
149.02292	1.5
151.00264	17.3
151.03860	1.6
153.05478	25.1
158.92339	1.2
159.04390	2.4
161.02362	8.4
169.01329	39.0
179.03416	34.6
180.03772	1.6
193.04979	4.4
194.99269	100.0
195.99594	4.8
205.05072	1.9
211.02374	1.7
218.99210	2.6
237.00272	2.0
271.09552	6.0
279.01376	1.8
289.07040	1.7
313.05649	37.7
314.06015	2.7
315.08707	19.0
339.03555	31.0
340.03894	2.1
423.09174	2.2
449.10944	8.4
475.08807	79.3
476.09149	10.4
477.13910	17.2
629.15082	87.4
630.15399	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	629.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12780	0.7
55.01757	1.0
57.64208	0.7
59.01234	2.2
67.31552	0.6
71.01228	3.9
71.58431	1.0
73.46822	0.8
78.95760	1.1
79.01756	14.0
83.01239	1.2
83.04866	0.7
85.06464	0.8
89.02306	0.8
94.79414	0.7
96.95889	8.5
96.96841	1.1
101.02304	2.2
107.01249	6.3
109.02818	1.9
109.06446	1.3
110.02314	0.6
111.00780	1.3
111.04391	2.7
113.02296	2.1
119.04874	1.8
123.00769	4.7
123.04381	0.8
125.02332	32.4
125.09626	1.1
126.02689	1.1
127.11150	1.2
133.02840	1.5
134.03593	1.4
135.04405	71.8
136.04744	2.2
137.02353	1.2
139.00261	1.7
140.00952	1.1
141.01804	0.8
145.02841	1.7
149.05965	0.8
151.00273	5.2
151.03915	1.3
153.05466	7.4
159.04431	4.4
161.02345	9.1
165.01892	0.7
165.05431	1.0
166.27185	0.7
168.00487	2.1
169.01331	46.5
170.01678	1.4
171.10205	4.3
173.05983	1.5
179.03409	57.6
180.03772	2.1
185.11711	1.0
193.04996	9.9
197.04494	1.4
201.11243	15.5
205.05029	1.4
209.09882	1.2
209.11761	18.6
211.02371	1.4
215.07053	1.6
221.11754	1.9
227.10712	1.1
235.08138	1.1
241.03342	0.9
253.09076	3.5
271.09729	15.0
272.10141	1.0
283.06183	0.9
313.05603	34.1
314.05994	1.6
315.05066	1.6
315.08734	24.8
316.09033	2.1
323.45752	0.8
375.21786	1.5
445.11307	1.6
475.08609	1.6
477.14008	7.6
478.14722	1.2
505.68277	0.9
585.16003	2.7
586.17078	1.1
611.30670	1.4
629.15039	100.0
630.15369	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	629.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.5
62.67004	1.2
65.00188	4.6
67.78378	1.4
68.18704	1.2
70.18320	4.5
70.18716	2.7
70.31497	1.3
71.01243	2.6
77.78233	1.3
79.80888	1.3
83.01247	6.6
95.01259	2.8
98.20515	1.9
99.00737	2.3
104.19087	1.2
107.01245	9.1
109.02836	7.3
111.00752	6.8
113.02297	1.6
119.04913	11.5
122.92655	1.3
123.00727	6.3
123.04353	1.6
125.02320	32.8
132.01987	1.3
133.02823	2.6
135.00763	2.0
137.02370	1.9
139.00250	9.9
141.01845	4.1
148.01588	1.6
150.99118	2.8
151.00262	40.5
152.00967	1.8
153.01834	3.3
154.99762	1.8
157.01338	2.4
161.02335	2.3
163.00287	1.9
163.03946	8.6
164.01047	1.5
165.05566	1.7
166.99788	5.0
168.00555	4.8
169.01324	100.0
170.01707	3.4
175.03880	2.6
178.99759	16.6
183.04597	1.4
187.03925	1.3
190.99782	2.6
191.52580	1.2
193.01364	1.9
194.99290	4.8
197.00812	3.5
201.05464	2.5
203.03398	3.0
204.97708	1.6
205.01329	1.8
215.03439	1.9
216.04243	1.4
227.03453	1.6
231.02956	1.4
233.04689	1.4
242.02197	1.6
243.02902	3.9
245.04510	3.9
250.38826	1.4
255.02939	4.0
259.02448	1.6
271.02457	8.6
272.03085	1.6
283.02567	1.6
285.04071	2.8
287.01968	5.8
288.02634	2.9
289.03326	3.9
290.03552	1.6
299.01871	3.0
300.02734	5.0
301.03482	5.1
313.05786	6.4
314.00781	2.3
315.01382	4.4
316.02155	3.2
317.02957	5.5
333.02475	5.5
343.06674	1.7
355.06390	1.9
361.07730	3.6
437.06979	2.5
447.10135	7.1
448.09897	1.7
449.07602	2.9
463.08887	11.0
465.06558	8.5
477.10248	6.4
479.08435	2.1
593.14331	2.2
611.12524	1.8
629.11536	36.5
629.31018	1.5
630.12390	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	629.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50674	0.9
65.00195	1.0
67.85739	0.8
71.34396	1.7
107.01233	2.7
109.02828	1.0
117.17914	0.8
121.02847	1.7
136.28781	0.8
151.00258	10.3
163.00349	0.9
169.01308	1.5
178.99832	5.4
211.03951	1.0
227.03381	2.1
243.02908	2.0
254.02219	1.0
255.02942	12.0
256.03455	1.3
271.02429	19.2
272.02863	1.2
283.02432	10.1
284.03171	3.9
285.03973	10.9
290.57867	0.8
299.01962	19.3
300.02710	38.3
301.03494	45.1
302.03656	4.2
330.48578	0.9
410.79492	1.0
429.07855	1.0
431.09851	7.9
446.08554	1.2
447.09290	100.0
448.09564	11.7
449.09763	1.9
593.15033	29.3
594.15588	4.0
629.11432	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.11
Annotation	Isorhamnetin 3-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
59.01226	1.8
65.00196	2.1
67.01730	1.5
69.03321	1.1
71.01261	3.5
71.38364	1.4
71.38700	1.7
72.82890	1.0
75.00757	1.2
83.01246	2.0
85.02831	2.2
95.01254	3.1
97.02836	3.0
98.71347	1.0
99.00710	1.0
101.02314	1.7
107.01264	10.2
109.02792	2.0
111.00741	2.1
113.02345	1.8
119.04907	36.3
120.05228	2.0
121.02783	2.1
121.62467	1.0
123.00757	11.7
123.04386	1.2
124.01447	1.3
125.02329	78.9
126.02656	1.7
127.00193	1.0
136.98706	1.3
139.00261	4.5
140.01009	4.5
151.00258	15.5
151.67966	1.1
153.01851	1.2
163.03902	18.9
166.99719	1.6
168.00531	5.0
169.01332	89.8
170.01633	1.6
178.99773	2.8
189.96672	1.0
191.03383	1.4
193.01411	1.9
211.02219	1.8
211.03981	1.9
227.03453	2.8
229.04936	2.7
237.04160	1.1
245.04636	1.2
255.02942	37.1
256.03476	4.3
257.04568	2.6
271.02496	7.4
272.02884	1.7
283.02466	58.4
284.03189	21.3
285.04013	56.8
286.04358	3.2
295.04730	2.3
299.01923	3.4
300.02728	15.3
301.03485	16.2
302.03568	2.6
313.05704	19.2
314.05872	1.1
327.05008	1.7
335.81778	1.1
338.77255	1.0
339.03302	1.7
340.04483	1.4
371.07535	2.1
428.07318	1.8
429.08331	6.0
431.09827	34.8
432.09958	3.2
446.08463	6.7
447.09341	28.6
447.15378	1.8
448.09647	3.9
449.09796	5.3
457.11859	1.3
465.06769	3.7
477.10349	17.7
486.10294	4.1
575.13892	1.8
591.13477	2.4
593.15088	54.7
594.15723	6.8
629.11414	100.0
630.11926	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	627.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14107	0.5
55.51054	0.5
59.01247	58.2
60.01578	0.6
69.53233	1.2
69.53638	3.3
71.01253	1.0
77.34412	0.6
82.73457	0.6
82.81304	0.6
83.32580	0.6
89.02338	0.8
93.03327	1.5
109.02853	1.0
110.32793	0.6
111.00771	1.2
121.00674	0.7
121.02832	2.2
122.03622	4.4
123.04435	0.7
125.02302	2.0
133.02875	1.2
137.02315	1.2
139.00177	1.0
149.01308	0.6
149.02332	22.2
150.03125	44.1
151.00282	1.7
151.03691	2.4
161.02367	5.6
164.04675	6.5
165.05481	68.7
166.05797	3.0
169.01329	1.6
175.04028	0.6
175.07626	0.9
176.04695	3.5
178.99817	0.9
179.03430	8.6
180.04231	4.0
191.07114	1.5
194.05772	11.3
195.06560	100.0
196.06873	4.9
203.03568	0.7
209.08127	40.5
210.08481	2.3
227.85890	0.7
241.14394	1.4
242.71306	0.6
243.03053	0.9
271.02414	1.6
287.01984	1.8
288.02521	0.8
299.02194	0.7
300.02686	0.7
301.03204	0.8
302.03851	0.9
315.01428	2.2
317.56586	0.7
342.10925	4.6
343.11432	0.9
357.13409	40.9
358.13681	5.0
365.51279	0.6
387.14368	0.7
405.15485	21.9
406.15826	2.3
495.08142	0.8
525.31561	0.7
609.10950	1.1
627.12219	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2097
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.73904	0.3
56.41089	0.3
57.45834	0.3
59.01295	0.4
69.85902	1.2
69.90405	0.3
73.02885	1.2
86.03371	0.3
98.19810	0.7
197.11873	0.9
211.13498	1.2
312.19699	0.4
437.12585	1.5
438.13379	1.7
450.13611	0.9
451.14136	1.4
452.14810	5.1
453.14929	0.9
464.15558	0.4
465.16266	0.6
466.16525	1.1
469.11246	0.5
470.16571	0.4
475.14398	0.4
479.17197	1.3
480.14023	0.4
481.14911	10.7
482.15494	2.3
484.13986	0.8
492.17572	0.5
493.15002	1.8
494.15817	1.0
495.16721	20.4
496.17117	4.1
507.16318	0.9
508.18021	2.6
509.18216	3.0
512.13342	1.1
513.14197	0.4
521.14709	1.5
522.15021	0.6
523.16516	1.3
523.19141	1.1
524.17218	0.7
525.13940	0.4
526.15039	1.2
530.14490	0.5
533.18286	0.9
535.16150	2.9
536.17029	3.9
537.16998	0.8
539.15839	1.0
540.17096	3.6
541.16455	1.0
551.19391	48.7
552.19611	10.7
553.17096	0.8
554.17767	1.1
555.18890	2.0
567.18579	1.0
568.16400	1.2
572.15521	3.1
586.17139	2.4
595.18347	10.7
596.18622	1.8
627.20905	100.0
628.21216	22.1
655.56525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.2
61.98702	27.4
65.00208	1.4
69.93439	0.6
71.01255	1.0
71.06735	1.1
72.99166	0.6
83.01253	1.2
87.00745	1.5
94.04144	0.6
99.00747	0.8
107.01263	2.8
108.02057	0.8
109.02863	1.5
121.02858	2.2
121.73872	0.6
123.00715	1.0
125.02337	2.8
135.17497	0.7
139.00288	0.9
151.00269	13.8
151.03734	1.0
152.00568	0.6
153.01877	1.0
161.02296	0.7
163.00287	2.1
163.03914	0.9
166.99762	0.7
169.01289	2.5
177.01810	0.7
178.99767	6.8
180.00093	0.9
184.43166	0.7
187.03961	0.7
199.03914	0.9
227.03476	1.7
229.04898	1.0
229.75127	0.7
243.02986	3.6
245.04529	1.4
254.02228	0.9
255.02937	11.6
256.03326	2.0
259.31378	0.6
271.02478	25.0
271.05499	1.3
272.02945	3.1
273.03989	1.2
283.02539	3.4
284.02933	2.6
299.01959	8.3
300.02719	53.7
301.03488	50.9
302.03833	3.4
313.05765	0.7
382.05698	0.6
445.07675	1.1
447.09283	100.0
448.09644	10.9
564.14728	3.8
591.13495	7.8
592.14185	1.2
627.15674	1.6
627.35956	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.112
Annotation	Unknow
Peak:m/z	Relative Intensity
64.73230	0.6
65.00179	0.6
69.50102	1.2
69.50504	4.2
83.01258	0.8
107.01270	2.9
119.01288	1.0
121.02827	2.6
125.02321	2.5
151.00267	14.8
163.00278	2.5
169.01347	1.3
175.03966	0.7
178.99753	7.4
203.03413	0.7
226.02629	0.7
227.03438	1.6
229.04950	0.8
243.02936	4.4
245.04460	1.0
255.02934	12.3
256.03412	1.0
271.02466	26.2
272.02838	2.4
273.03979	1.6
283.02496	1.5
299.01996	9.8
300.02740	67.2
301.03497	64.4
302.03818	4.6
417.15359	0.9
429.14990	0.6
445.07687	1.5
447.09293	100.0
448.09644	9.8
488.90958	0.7
493.17572	0.7
591.13306	7.1
592.14117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.9
55.88457	0.5
57.03316	0.7
58.00472	1.2
59.01250	24.0
69.03326	1.1
69.34204	0.4
70.15437	2.3
70.48228	0.4
71.01247	16.7
72.99183	1.8
73.02809	3.1
74.05959	0.4
77.10217	0.6
81.03339	0.5
83.01237	2.4
83.04887	0.5
85.02821	3.4
86.80592	0.5
87.00758	2.7
89.02312	14.6
95.01252	1.2
95.95042	0.6
97.02817	2.3
99.00752	0.7
99.73983	0.5
101.02317	11.8
111.08049	0.9
113.02325	5.1
119.03373	2.9
125.02312	3.7
131.03319	0.6
133.04973	0.5
139.03944	0.6
143.03400	1.7
150.36015	0.5
151.00298	0.6
161.04451	1.3
165.12764	7.9
166.13138	0.7
167.01660	0.8
179.05521	1.8
183.13831	68.7
184.14200	3.2
209.11862	0.8
217.56833	0.5
217.61636	0.5
221.06599	1.6
225.05756	0.5
227.12814	10.9
229.32080	0.5
235.08203	2.1
301.03488	1.8
301.16440	0.6
307.53424	0.5
397.13470	7.8
398.13779	1.0
415.14612	4.3
445.20560	0.7
539.15607	0.5
607.25861	0.9
625.27075	100.0
626.27417	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	625.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	2.4
59.01245	19.7
61.98682	0.9
69.03310	1.1
69.25266	11.5
71.01253	17.6
72.99182	2.7
73.02804	2.9
75.00730	1.7
78.95761	1.4
83.01283	1.1
85.02811	3.8
87.00742	2.9
89.02299	12.5
93.03315	1.5
95.01241	1.5
96.95891	2.8
97.02827	3.6
98.19829	2.1
101.02316	12.1
107.01260	1.3
108.91862	0.9
109.02845	2.1
109.70251	1.0
113.02339	5.6
117.03351	1.2
117.12124	1.0
119.03397	2.6
119.04910	1.1
123.00799	1.0
123.04372	1.6
125.02332	8.2
135.04364	1.3
137.02341	1.8
139.03920	1.1
143.03416	1.4
143.51067	1.0
145.02800	1.2
151.00240	3.4
151.03838	1.1
161.02318	2.0
161.04463	1.8
163.03864	2.1
165.01805	1.6
165.05386	1.2
165.12764	11.4
167.01385	1.0
169.01384	2.0
176.25165	0.9
179.05510	1.3
183.13831	80.5
184.14142	3.0
202.86203	1.1
209.11693	2.6
210.57333	1.1
217.80104	1.2
218.27466	1.4
221.06638	1.4
226.93748	1.0
227.12819	14.0
235.08299	1.3
255.03069	1.2
259.05991	1.8
269.04404	2.8
271.02472	2.0
274.18835	1.1
295.99854	1.1
300.02612	1.4
301.03381	1.7
397.13599	7.1
415.14514	4.2
483.24136	1.1
531.11517	1.7
557.62280	1.3
625.27008	100.0
626.27338	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	625.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40543	0.8
57.45090	0.8
59.01242	2.2
61.98703	1.5
63.02258	1.0
65.00200	2.9
70.14984	2.1
70.15372	1.5
71.01254	1.9
71.92908	0.9
78.95361	0.8
78.95776	2.9
80.64743	0.9
83.01255	2.0
85.26990	0.9
96.95866	1.2
104.51945	0.9
107.01265	5.2
109.02840	1.2
119.04912	2.1
121.02817	2.1
124.01573	1.2
125.02335	5.4
135.04396	4.1
137.02322	1.7
139.03896	2.8
143.04962	1.9
144.28848	0.9
145.02872	2.7
151.00267	19.0
151.03900	1.9
155.04889	1.1
157.02872	0.9
159.04375	1.6
161.02319	2.1
163.03934	1.1
165.01831	1.9
169.01364	5.8
171.04414	1.5
175.03888	1.4
177.01851	1.9
178.99844	4.4
183.04434	2.8
185.87450	1.2
187.03952	1.8
189.01680	1.5
199.03920	7.4
201.01874	1.2
209.11740	3.3
211.03931	1.0
214.02699	3.2
215.03409	3.0
217.01318	1.7
227.03474	5.1
241.01390	8.0
242.02171	3.9
243.02945	13.5
244.03412	1.2
245.00861	5.3
255.02968	10.5
270.01645	14.2
271.02444	36.8
272.02817	2.9
283.02374	1.0
287.05496	2.1
298.01181	8.6
299.01962	100.0
300.02658	26.5
301.03482	14.1
302.03979	1.1
313.03513	1.4
317.06741	1.0
445.07748	59.6
446.08408	21.4
447.09262	10.0
449.08789	2.5
461.08896	4.7
479.09671	9.0
595.13739	1.3
607.14453	1.2
625.15668	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	625.1407
Annotation	Tricetin 3',5'-diglucoside
Peak:m/z	Relative Intensity
57.13993	0.9
63.02267	1.1
71.10426	1.6
96.95889	1.7
107.01292	1.8
115.98891	1.0
151.00264	9.3
169.01384	1.1
178.99641	1.3
183.04332	1.0
199.03906	5.0
201.01869	1.1
211.03888	1.1
215.03400	1.2
226.02678	1.6
227.03407	4.2
243.02901	5.4
254.02042	1.2
255.02884	2.3
271.02457	65.5
272.02811	5.1
297.03940	1.0
299.01950	100.0
300.02548	15.7
301.03497	43.5
301.06943	2.2
302.03867	3.3
343.04395	1.2
421.66928	1.0
430.86694	1.2
462.07971	23.7
463.08792	38.9
464.08975	3.2
536.50519	1.1
557.48071	1.1
620.12335	1.0
625.14020	78.6
626.14252	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	625.1407
Annotation	Sinocrassoside D2
Peak:m/z	Relative Intensity
59.01256	1.5
65.00197	2.0
71.58394	1.9
73.86525	1.1
78.30217	1.1
81.85813	1.2
107.01261	3.8
109.02821	7.2
109.99958	5.9
111.00760	4.4
120.44902	1.1
121.02859	2.5
123.00774	5.1
124.01556	1.4
125.02374	5.5
125.62560	1.1
127.00340	1.0
136.98616	2.0
137.02307	3.4
137.99472	3.8
139.00290	9.7
146.03513	1.3
148.01550	1.7
149.02359	4.0
151.00276	20.2
151.03949	1.5
152.01028	4.5
153.01817	3.9
159.04413	1.4
161.02356	2.4
163.00276	9.8
164.01024	5.1
165.01903	1.2
165.99023	10.2
166.99785	8.2
169.01395	2.8
171.04393	1.9
172.05487	1.1
173.02461	1.2
175.00305	1.8
178.99777	18.6
181.01404	1.8
187.03957	2.6
189.01900	2.6
190.99818	3.3
194.99211	1.6
199.03967	3.5
203.03407	2.5
205.01320	2.1
208.00023	2.8
209.11752	2.3
213.01808	1.4
215.03413	5.1
216.04292	1.3
217.05142	1.6
227.03505	5.6
229.04886	1.4
230.02097	1.6
231.02997	2.5
242.02249	2.6
243.02968	10.5
244.03709	1.6
245.04477	3.0
250.36154	1.1
255.02898	3.7
259.02463	4.3
270.01700	5.0
271.02457	29.7
272.03220	5.0
273.03976	4.3
287.01990	19.2
288.02542	4.8
289.03577	2.1
298.01157	1.7
299.01974	22.0
300.02533	5.3
301.03357	2.0
315.01376	8.6
316.02206	62.5
317.02963	82.4
318.03394	4.9
333.20078	1.2
445.07697	2.6
463.08807	100.0
464.09167	10.0
479.08276	81.2
480.08563	7.7
533.93689	1.3
625.13904	29.0
626.14294	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	625.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66946	0.4
62.06130	0.5
63.02277	0.6
65.00191	1.0
69.61935	2.1
69.62371	1.1
70.62294	0.5
80.01659	0.4
83.01259	0.6
90.67847	0.4
95.40089	0.4
107.01258	1.8
108.02037	2.1
121.02872	0.7
135.00793	0.9
148.01508	1.5
149.39705	0.4
151.00259	6.7
163.00270	1.0
164.01010	0.9
169.01347	0.6
178.99776	6.1
199.03888	1.1
211.03986	0.7
215.03499	0.8
226.02650	1.6
227.03450	2.9
243.02939	12.7
243.05351	0.9
244.03400	0.8
254.02177	2.3
255.02956	28.3
256.03342	1.6
271.02466	62.7
272.02908	5.9
273.04056	0.7
288.63757	0.4
299.01895	4.3
300.02734	100.0
301.03333	18.1
302.03922	0.9
445.07889	0.8
463.08936	1.6
464.09302	0.5
472.50644	0.5
625.14069	55.9
626.14417	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	623.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	1.8
55.17202	0.6
56.71204	0.6
57.03315	2.4
58.00434	0.7
59.01249	19.8
69.03322	1.9
69.54337	0.6
71.01253	23.5
71.01659	1.1
71.04922	1.0
71.57643	1.0
72.99178	2.1
73.02823	5.6
81.03363	1.1
83.01263	3.9
83.04883	3.3
85.02819	7.5
85.06480	0.6
85.99963	1.6
87.00751	8.9
87.04357	0.8
89.02311	11.1
91.03899	0.9
95.01279	2.0
95.04900	1.8
96.95898	0.6
97.02806	1.7
97.06472	1.3
99.00750	1.0
101.02318	16.3
101.80574	0.6
106.04084	0.7
107.04957	0.8
109.06474	3.7
109.07108	0.7
111.00795	0.8
111.08044	2.7
113.02319	9.9
119.03413	3.0
121.10110	1.1
125.02325	2.4
129.77888	0.6
134.98930	0.6
135.08025	2.7
137.09647	3.2
143.03371	0.8
145.04964	5.8
154.10901	0.7
156.27054	0.6
161.04440	4.4
161.09608	0.8
163.11023	1.0
179.05545	2.9
181.12358	1.0
187.05942	0.9
203.14377	2.4
205.16020	0.8
211.13348	1.7
213.14943	1.9
231.17461	1.9
233.18973	0.8
235.08200	15.1
237.14873	2.4
237.18558	1.0
239.16496	2.3
241.18042	1.8
247.13390	0.8
247.17014	1.1
249.14754	0.9
253.09230	1.0
253.18071	0.6
263.16556	0.8
265.18063	2.4
275.16458	2.6
277.18253	1.4
289.18182	0.9
313.25409	0.8
315.26956	3.8
317.28622	0.8
325.25314	7.4
326.25391	0.9
333.27841	1.3
341.24747	5.5
342.25174	0.7
343.26404	7.5
344.26712	1.4
351.23108	4.2
359.25952	10.8
360.26160	1.3
361.27444	2.8
369.24323	17.4
369.28955	1.1
370.24661	1.9
377.26944	1.9
387.25394	66.2
388.25595	7.9
405.26422	45.8
405.34323	0.9
406.26776	5.1
447.27380	0.8
479.30157	3.0
519.66205	0.7
595.34845	2.2
605.33533	2.2
623.34314	100.0
624.34644	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	623.3433
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
55.01753	2.1
57.03321	2.8
58.00477	1.3
59.01248	22.5
69.03334	1.8
71.01250	24.0
71.04884	0.4
72.99172	2.3
73.02811	5.7
75.00757	0.5
78.95749	0.5
81.03338	1.4
83.01258	4.0
83.04892	3.2
85.02818	8.1
85.03281	0.6
85.06445	0.5
85.99983	0.9
87.00744	9.5
87.04403	0.6
88.01095	0.4
89.02313	10.0
93.03352	0.6
95.01252	2.9
95.04916	1.1
96.95889	1.2
97.02837	2.4
97.06474	1.3
99.00771	1.6
99.04400	0.4
101.02317	17.0
101.71864	0.4
103.03884	0.9
104.73148	0.4
106.04192	0.5
107.04923	0.8
108.48305	0.4
109.06460	3.6
111.00763	0.8
111.04387	0.9
111.08038	2.7
113.02325	9.0
115.03916	0.8
119.03387	2.4
119.04899	0.6
121.06489	0.4
121.10113	0.6
122.33521	0.4
123.08047	0.6
125.02360	1.8
127.07542	0.4
129.09146	0.5
131.03409	0.4
133.04968	1.3
133.06506	0.9
135.08076	2.4
137.09607	2.5
139.04002	0.4
139.07631	0.5
139.11176	0.8
143.03430	1.1
145.04956	5.2
149.09576	0.4
161.04462	5.7
163.11192	1.0
165.12712	0.5
167.14400	0.4
177.71164	0.4
179.05534	2.7
181.12251	0.7
183.13850	0.6
187.05997	0.8
193.12294	0.6
195.13908	0.6
199.13287	0.5
203.14270	1.9
205.15897	0.5
207.17467	0.8
211.13348	1.5
213.14919	2.6
215.96114	0.4
219.13802	0.5
221.15395	0.8
221.19052	0.5
225.14859	0.6
231.17535	2.1
233.19041	0.6
235.08177	15.0
235.17041	0.4
236.08510	0.9
237.14922	1.6
237.18674	0.9
239.16484	3.4
241.18018	2.2
245.19069	1.1
247.13429	1.2
247.16982	1.3
249.14870	0.9
249.18625	0.9
251.16530	0.8
253.09328	0.7
261.18628	0.6
263.16422	0.7
265.18100	2.4
267.19632	1.0
271.20602	0.7
275.16577	3.5
275.19617	0.6
277.18073	2.2
277.21005	0.3
289.18121	0.7
293.21167	0.9
305.21317	0.5
313.25446	1.3
315.23349	0.7
315.26831	4.2
316.27271	0.6
317.28403	0.9
325.25323	7.3
326.25870	0.7
333.27826	0.8
341.24936	4.9
342.25049	0.7
343.26422	9.4
344.26834	1.0
351.23370	3.8
352.23587	0.5
359.25876	12.3
360.26218	1.2
361.27454	2.9
369.24338	18.6
370.24744	2.0
377.27032	1.8
387.25388	65.4
388.25735	8.5
396.72348	0.5
405.26431	51.3
406.26840	6.2
429.26596	0.4
447.27765	0.5
461.28885	1.0
479.30142	3.1
533.30902	0.6
595.34460	2.6
605.33203	1.7
623.34314	100.0
624.34650	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.4
59.01231	0.8
69.28950	0.8
69.29374	1.6
71.01256	0.7
72.99190	0.4
75.00748	0.8
77.27000	0.2
79.01762	8.4
83.01239	0.4
89.02341	0.3
91.05405	1.4
93.03336	3.6
96.95884	0.8
97.02818	0.6
98.95454	0.3
101.02320	0.4
107.01306	0.4
107.04913	0.4
109.02816	0.5
109.06513	0.3
111.04402	3.2
113.02357	0.3
119.04912	25.3
120.05251	1.0
121.02857	0.5
123.04409	0.4
125.01454	0.2
125.02333	0.9
133.02835	1.0
134.03621	0.3
135.04413	12.9
136.04741	0.5
145.02841	1.3
149.02284	0.4
149.05972	0.2
150.03072	0.3
151.00270	0.6
151.03885	1.5
153.05449	0.6
160.01599	0.7
161.02362	0.8
161.06033	0.3
163.03867	0.4
163.05975	0.5
165.05446	0.3
175.03880	0.7
179.03410	26.0
180.03795	1.1
187.03893	0.2
193.04997	3.0
197.04492	2.2
199.03836	0.5
199.07622	0.3
205.05009	3.0
255.10190	0.5
256.03622	0.2
257.08093	0.3
284.03253	2.7
285.04013	11.9
286.04385	1.3
299.09216	100.0
300.09558	7.6
323.07724	0.7
332.22845	0.2
385.99182	0.3
443.13559	1.6
447.09052	0.4
454.66608	0.2
623.13342	4.7
623.36334	0.4
624.14215	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67782	0.4
51.02266	0.3
55.01752	0.7
57.03320	0.4
59.01249	4.6
65.22901	0.4
69.46751	2.7
71.01252	3.7
71.90743	0.3
73.02801	0.4
79.01761	14.2
83.01263	0.7
84.42323	0.3
85.02834	2.5
89.02312	2.6
91.05415	3.2
93.03333	7.5
94.59641	0.3
97.02822	0.4
99.00759	2.2
101.02322	2.7
109.02872	0.5
111.04404	5.7
113.02303	2.2
118.38004	0.5
119.04910	40.8
120.05235	1.8
121.02813	0.6
123.04396	0.9
125.02338	1.1
135.04405	19.0
136.04707	0.5
143.03349	0.9
145.02806	2.0
149.05882	0.4
150.03085	0.6
151.03931	3.3
153.05524	0.8
161.04463	1.6
161.05690	0.4
163.03857	0.6
164.04733	0.8
165.05428	1.2
169.01276	0.5
178.02570	0.5
179.03412	37.8
180.03725	1.9
192.04222	0.4
193.04987	4.5
195.06427	0.6
197.04457	2.7
205.03262	0.7
205.05006	5.9
225.11305	0.5
242.57771	0.4
255.10382	0.6
257.08188	0.6
271.02603	0.6
281.08270	0.6
299.09229	100.0
300.02704	0.7
300.09555	8.0
315.05032	0.7
323.09885	2.4
329.00742	0.4
463.55289	0.4
551.47449	0.5
623.19806	34.2
624.20160	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	623.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.8
59.02012	0.3
62.59574	0.3
65.00191	0.8
65.72234	0.3
69.33934	0.3
71.01238	0.7
77.03831	0.9
79.01763	2.8
89.02293	0.4
91.60345	0.3
93.03310	0.4
96.95901	0.5
97.02818	0.5
97.78508	0.4
105.66038	0.3
108.02041	0.5
109.02813	1.6
112.09639	0.3
121.02840	8.6
123.04319	0.4
125.02318	1.0
137.02365	0.4
139.00287	0.4
139.03931	0.4
148.01569	0.7
149.02319	1.4
150.02946	0.4
151.00266	1.2
161.02408	0.4
165.01843	16.3
166.02147	0.4
169.01367	0.8
177.01826	1.5
178.02629	0.6
178.99770	1.8
183.02852	1.5
187.03851	0.4
193.01346	5.4
203.03470	0.4
205.01334	0.9
206.02087	0.4
207.02931	0.5
213.05417	0.4
215.30324	0.3
225.05629	0.5
227.03467	0.4
229.04987	0.4
240.04253	0.7
241.04971	1.3
243.02568	0.4
257.04510	3.5
259.06107	0.8
268.03760	0.8
269.04538	9.8
270.04828	0.5
271.02399	0.9
280.36972	0.4
285.04022	19.6
286.01434	0.4
286.04483	1.5
287.01999	0.7
287.05481	0.8
297.03873	0.5
300.02814	0.6
301.03339	0.5
313.03406	1.3
314.04306	56.4
315.05057	75.0
316.05389	5.6
447.09531	0.9
461.10880	100.0
462.11218	11.2
477.10767	3.0
478.10297	0.5
479.08313	0.5
484.59195	0.4
572.34656	0.4
623.15698	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03310	2.3
58.00467	4.7
59.01250	96.4
61.98695	3.3
71.01250	72.4
71.58652	2.9
72.99168	6.2
73.02816	3.6
78.95787	5.1
79.95597	3.3
83.01260	3.4
84.37658	1.8
85.02826	15.8
87.00748	3.8
89.02314	100.0
91.06943	2.0
95.01279	6.6
96.95893	74.8
96.96812	11.7
99.00810	2.5
101.02319	45.2
113.02330	32.5
119.02575	3.2
119.03387	39.7
119.04852	3.2
123.00825	2.5
125.02328	8.9
131.03329	2.8
137.02304	2.0
143.03441	9.4
149.04492	3.6
161.04414	15.0
169.01311	5.3
179.04083	3.2
179.05522	39.5
223.13315	3.5
285.04065	4.4
299.05493	3.6
399.23892	5.7
480.61200	2.1
561.29120	51.3
562.29523	6.7
621.26385	10.7
622.25677	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	623.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79323	1.4
56.00300	1.5
59.01268	3.6
65.00191	4.0
71.01257	8.3
71.07849	4.5
73.02814	1.9
83.01241	2.0
89.02317	4.5
95.01228	3.3
98.60276	1.8
102.03163	1.8
107.01259	5.8
109.02830	4.3
109.06476	3.8
111.00803	2.5
119.04869	3.9
121.02840	4.9
123.00813	2.0
125.02347	6.2
131.03294	2.7
137.02322	2.7
139.00266	3.2
139.03981	2.1
145.02829	1.9
149.02438	2.5
151.00264	23.5
153.01669	1.8
163.00276	5.3
166.99774	2.0
168.00490	2.7
169.01260	5.4
175.03876	2.5
175.81046	1.8
177.98944	2.4
178.99771	17.0
179.03438	2.2
187.03824	2.5
194.00795	9.5
194.19162	2.4
199.03825	2.1
201.01985	2.1
207.10231	5.9
217.04889	2.2
217.08655	1.9
225.11247	4.5
227.03580	2.9
232.03712	2.2
233.04483	2.8
240.14806	1.6
243.03001	7.1
245.04514	3.5
255.02924	20.2
256.03375	2.4
259.02423	2.7
261.04086	2.1
269.04559	2.9
271.02435	40.2
272.02997	3.3
283.02441	5.9
284.03241	2.6
285.00470	1.8
286.01227	3.7
287.01959	9.6
297.04034	2.0
299.01993	3.7
299.05780	2.1
299.08914	8.1
300.02728	80.8
301.03500	59.9
302.03845	4.0
315.01517	11.2
317.02963	3.4
332.01755	3.8
333.02441	3.2
447.09311	100.0
448.09531	15.9
459.05859	3.9
477.06638	3.4
479.08258	9.0
480.08212	1.9
623.13226	3.6
623.25555	5.5
624.14233	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.8
57.03325	1.7
58.00462	1.6
59.01249	32.5
68.44302	0.3
69.03313	4.3
69.27891	3.3
71.01253	24.7
71.04884	1.0
72.01581	0.7
72.99176	2.2
73.02815	4.1
75.00744	0.8
78.54598	0.3
81.03329	1.7
83.01262	2.5
83.04901	0.6
85.02818	5.1
85.06471	0.6
87.00747	6.0
89.02314	27.0
90.02642	0.5
91.03864	0.4
93.03347	0.7
95.01281	1.4
95.04888	0.5
96.95889	2.9
97.02827	3.6
99.00740	1.5
99.04404	0.6
101.02319	21.6
102.02645	0.4
103.03894	0.4
109.06467	0.8
111.00692	0.4
111.04394	0.9
112.40077	0.3
113.02329	8.8
115.03902	0.8
119.03390	8.6
121.02838	0.4
122.51139	0.3
123.00721	0.4
123.04424	0.3
125.02335	7.9
125.09573	0.4
131.03389	1.2
133.04965	0.6
135.11700	0.4
137.02434	0.4
139.03915	0.7
141.01834	0.4
141.09096	0.6
143.03404	3.6
149.02370	0.4
149.04486	0.7
149.09555	0.5
150.03091	0.8
161.04460	4.6
161.13203	0.4
163.05959	0.3
165.05464	1.0
167.03452	0.5
167.10706	3.7
169.01247	0.5
177.01971	0.3
177.12746	0.8
179.05516	4.9
179.10703	1.5
179.14346	4.2
185.04506	0.5
195.06601	0.8
195.13835	11.7
196.14204	0.7
205.12285	10.4
206.12599	0.7
217.07111	0.5
221.06709	2.0
223.13341	100.0
224.13693	7.4
235.08191	8.3
236.08430	0.3
245.06554	0.5
253.09204	1.9
263.07608	0.8
271.04449	0.4
277.09445	0.5
287.07687	1.5
305.08633	1.4
323.09857	1.0
359.14993	0.4
361.11523	0.4
379.12442	0.4
397.13480	52.1
398.13809	5.1
415.14542	27.7
416.14993	2.7
537.21350	0.5
543.70746	0.3
544.44183	0.3
561.28485	0.4
621.18341	0.5
621.27679	5.6
622.27905	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
70.77336	3.7
71.56329	8.5
93.11179	4.7
97.09599	4.6
121.95008	4.6
131.33803	4.1
161.88165	4.3
220.43848	6.1
431.18848	4.7
445.20416	13.2
446.21057	7.7
457.20370	12.2
458.21072	10.4
459.21747	14.5
461.23468	9.1
463.19125	4.7
471.17838	6.3
473.23413	5.4
474.20901	24.1
485.19958	15.3
486.20578	36.9
487.21121	8.5
488.18372	10.0
489.22876	23.9
497.43909	4.5
501.22998	100.0
502.23309	20.1
516.17914	17.1
518.23248	14.8
527.20673	7.1
533.26544	22.0
545.21838	69.9
546.09845	4.7
546.22363	14.5
548.20642	15.3
559.23389	17.9
561.21240	8.7
562.22144	18.4
577.24194	26.8
621.23730	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	619.2557
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
60.51326	0.5
61.75793	0.6
67.45049	0.6
71.05049	1.2
75.70447	0.6
78.95779	1.6
152.99454	1.0
160.35437	0.7
195.38629	0.5
255.23196	1.5
281.93539	0.5
401.13919	3.1
415.15533	3.4
416.16422	13.8
417.16727	2.5
429.17438	1.8
430.17984	3.5
431.18622	2.1
434.17181	0.8
444.15924	1.7
458.17587	1.2
458.31064	0.6
459.18237	100.0
460.18610	15.2
473.19800	14.0
474.20367	6.0
475.20746	0.8
485.16031	1.0
487.17566	1.1
501.19269	1.8
503.17184	2.9
504.17523	0.9
509.06735	0.7
517.18506	1.0
518.19568	41.1
519.19714	6.9
532.20947	6.5
533.21906	91.2
534.22260	14.5
545.21814	0.8
587.23029	7.5
588.23193	1.0
619.25580	65.0
620.25964	17.6
620.33881	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99664	1.5
76.48130	1.4
78.95772	8.3
98.20531	4.2
152.99472	6.4
156.01971	1.3
174.42357	1.5
232.16156	1.5
255.23337	4.7
399.28760	1.4
415.15796	4.9
416.16336	15.0
417.16876	2.9
429.17535	2.0
430.18198	2.1
444.16125	1.8
445.16574	2.6
458.17365	2.2
459.18222	100.0
460.18704	15.1
470.15659	1.4
473.19788	16.9
474.20612	8.4
485.15970	1.5
501.19336	1.6
503.17401	1.9
517.18616	1.5
518.19550	40.2
519.19916	4.6
532.20959	6.1
533.21918	78.2
534.22113	10.7
587.23065	6.1
619.25610	69.5
619.35376	3.1
620.25952	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.8
59.01254	1.2
67.01743	0.6
69.03321	2.8
71.01212	0.9
71.06615	1.8
71.32372	0.6
78.95765	1.2
81.03336	2.2
83.01243	3.2
85.02834	0.8
89.02299	0.8
93.03320	4.1
95.01254	2.2
95.04897	1.4
96.95876	7.4
97.02827	4.1
98.93213	0.7
101.02339	1.0
102.33997	0.6
106.00327	0.7
107.01266	2.3
109.02826	14.2
111.00743	1.0
117.03358	1.0
119.04863	1.5
121.02821	2.4
123.00752	2.9
123.04406	9.7
124.01542	0.9
125.02329	79.9
126.02648	2.3
133.02837	1.3
134.63895	0.7
135.04388	2.0
137.02348	9.3
139.03877	1.7
140.01047	0.9
143.04900	0.8
145.02831	4.9
146.03593	1.4
149.02335	4.1
150.03065	1.4
151.03902	6.3
159.04422	2.6
161.02338	1.3
161.05960	4.7
162.03134	0.9
163.03865	0.9
164.01027	1.8
165.01886	2.4
166.99734	1.9
167.03391	1.2
168.00578	1.0
169.01329	100.0
170.01628	3.6
173.06065	1.0
175.03883	1.3
175.07542	1.4
177.01863	9.2
177.05508	1.5
179.03375	3.4
185.06007	1.2
187.03885	3.4
188.04663	2.3
189.01851	4.7
190.02551	1.3
191.03389	0.9
193.01340	5.8
201.02121	0.7
201.05531	0.9
202.06186	1.1
203.03371	1.2
203.07059	6.5
205.04976	5.8
217.01328	2.9
219.03006	0.7
221.08133	1.0
227.07030	1.9
229.04984	2.8
230.05887	0.8
231.02942	2.9
241.05070	1.9
245.08142	8.1
247.06140	1.3
253.05043	1.0
271.06137	6.8
275.05722	0.7
281.04507	1.6
283.06116	1.2
289.07162	52.2
290.07486	3.2
297.07666	1.3
303.05090	1.8
303.08466	0.9
315.08759	2.2
323.05725	2.0
341.06619	12.1
342.07074	1.2
355.08078	4.8
356.49036	0.7
373.09326	3.6
435.10770	19.7
436.11304	2.1
441.08194	5.8
449.12863	3.5
467.13495	16.8
468.13800	1.6
477.08566	0.7
587.11865	2.7
619.14728	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	619.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84419	0.7
59.01248	2.2
62.83440	0.8
62.88685	0.8
63.59476	0.7
66.00837	1.3
67.01743	2.0
69.03325	2.0
70.30836	0.9
71.01254	2.7
71.57150	0.8
71.57544	1.1
72.99207	0.8
78.95773	1.1
81.03297	1.2
83.01246	1.2
85.02824	1.1
87.00716	1.3
95.01251	4.3
96.95892	6.5
96.96823	1.4
97.02845	2.2
97.90308	0.8
101.02309	1.9
107.01266	8.4
108.02046	19.1
109.02844	8.9
110.93496	0.7
111.00780	3.8
113.02299	1.5
123.00761	14.0
123.04455	0.9
124.01550	2.3
125.02331	58.1
126.02641	2.3
127.00282	1.3
133.02777	0.8
134.03607	2.3
136.98769	1.9
137.02306	2.2
139.00241	4.9
139.57254	0.8
140.01048	3.7
141.01772	1.8
143.03401	0.9
144.22813	0.9
145.02786	0.9
146.58694	0.8
149.02332	1.2
149.99448	0.9
150.03165	1.1
151.00253	10.2
151.03888	1.0
152.01060	24.0
153.01826	10.2
161.02307	1.0
163.03896	2.2
165.01830	1.0
166.99733	2.9
168.00555	8.7
169.01331	77.6
170.01656	3.5
171.04330	0.9
175.03943	1.2
177.01886	1.2
179.03329	2.1
181.01352	1.3
191.03391	1.1
193.01315	1.2
193.04982	3.0
193.98495	7.4
194.99269	5.7
211.02422	1.3
237.03972	2.6
253.03450	1.5
287.02014	1.9
295.04507	1.7
297.06146	2.9
313.05603	13.6
315.07269	1.9
405.08511	1.3
423.09250	10.5
441.14035	0.9
449.07068	7.0
460.51669	0.9
465.06638	0.9
467.08261	13.5
468.08673	1.5
575.10443	8.2
601.08319	6.0
602.08295	1.2
619.09357	100.0
620.09778	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	617.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.3
59.01250	3.7
69.71117	1.5
71.01255	3.6
73.02832	1.0
77.80419	0.2
80.02540	0.6
81.03338	1.0
83.01252	0.7
83.04893	4.2
84.02049	0.9
85.02829	0.7
87.00731	0.7
89.02316	3.6
93.03300	0.3
95.04932	0.7
99.00793	0.6
101.02316	3.3
113.02338	1.7
119.03367	0.5
125.02341	0.7
125.05972	0.6
125.09614	1.1
127.11177	1.9
131.03374	0.4
133.82893	0.3
135.08058	0.4
145.04947	0.3
149.04475	1.1
150.02429	0.2
153.09099	0.4
161.04462	1.0
163.11209	3.0
165.12746	1.6
171.10173	100.0
172.10524	4.3
179.05432	0.4
181.12228	0.4
183.13794	0.3
191.05615	0.3
191.10716	0.9
209.11757	90.4
210.12123	5.3
227.12831	11.8
228.13168	0.7
235.08200	2.9
253.09242	8.7
254.09717	0.5
363.21689	0.4
407.19135	1.4
445.20728	0.8
560.77368	0.3
561.14386	0.3
581.29675	0.3
603.19769	0.3
617.34674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2234
Annotation	2,2'-biporphyrin
Peak:m/z	Relative Intensity
50.71254	0.8
57.03323	0.9
58.47433	0.8
59.01240	5.2
67.01779	0.9
68.99711	0.9
71.01249	7.5
71.58407	1.6
72.99119	1.2
73.02805	1.1
78.95766	1.1
79.01771	1.4
80.02550	1.0
81.03315	1.6
81.59810	0.9
83.01228	2.0
83.04886	2.9
84.17555	1.1
85.02831	2.3
87.00722	1.2
89.02313	3.5
95.01246	3.4
96.95844	1.5
97.02821	3.2
99.00771	1.3
101.02335	4.5
107.01263	10.1
107.04891	1.4
109.06441	1.6
109.99918	1.0
111.00749	5.9
113.02319	2.5
119.03334	0.9
122.03606	1.1
123.00764	19.8
124.01554	1.8
125.02334	49.3
125.09590	1.5
126.02675	1.7
127.00266	3.1
127.11161	2.3
135.04402	11.1
135.08067	1.3
136.98708	3.3
139.00287	6.5
139.03937	1.1
140.01051	10.3
141.01797	2.1
148.05125	1.5
151.00252	11.2
151.03915	1.6
153.01787	1.1
153.20166	0.9
163.11208	2.2
165.01942	1.2
165.12822	2.1
168.00560	11.8
169.01332	67.2
170.01628	2.1
171.10175	100.0
172.10492	2.7
174.06812	2.2
182.34612	0.9
185.11746	1.1
191.10628	1.4
193.01270	1.0
199.13339	1.3
201.11273	1.5
209.11766	78.8
210.12126	3.1
211.02455	2.8
211.13272	1.0
223.02179	0.9
227.12837	12.1
235.08167	2.8
244.14664	2.8
253.03415	1.1
253.09229	7.3
257.15451	1.4
258.16272	5.9
259.16901	4.9
285.14905	2.3
297.06198	5.6
300.47556	1.0
313.05588	12.8
314.06207	1.4
403.29282	0.8
407.19385	1.1
573.23352	53.9
574.23865	7.6
599.21295	53.4
600.21606	8.8
614.66815	1.0
617.22351	46.6
617.30170	1.8
618.22632	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	617.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	1.7
59.01242	2.8
63.10372	0.7
67.01764	1.0
69.03330	1.6
71.01244	3.1
71.14312	1.7
72.99185	1.2
80.02561	1.0
81.03320	2.2
83.01253	1.2
83.04889	2.0
87.00747	0.9
89.02306	2.0
95.01272	2.0
95.04889	2.4
96.95880	3.2
97.02808	2.6
101.02328	2.4
107.01277	1.0
108.02033	9.8
109.02834	15.6
117.03323	1.3
119.03384	0.9
121.02837	2.8
122.03638	1.0
123.00755	4.3
123.04403	17.2
124.01544	1.3
125.02330	60.5
126.02672	2.1
127.11173	1.8
133.02882	4.3
134.03596	1.0
135.04366	2.2
137.02321	7.2
139.03883	1.5
145.02852	11.3
146.03574	1.3
147.04384	2.0
149.02313	2.9
150.03111	1.4
151.00261	1.5
151.03891	6.2
159.04416	3.8
160.01558	3.0
161.02400	2.2
161.04460	0.9
161.06035	1.4
162.03078	0.9
163.11188	2.9
165.01823	4.8
165.12698	2.0
166.99791	3.9
169.01331	82.4
170.01695	2.9
171.10175	83.3
175.03917	5.0
176.01141	1.4
177.01842	41.3
178.02171	2.3
179.03400	1.1
179.05437	1.0
185.02202	0.9
185.05898	1.0
187.03926	4.9
188.04663	1.1
189.01857	33.9
190.02652	7.1
191.03427	9.3
193.01363	6.0
201.01791	2.6
203.03471	4.5
203.07013	2.4
205.05037	1.2
209.11760	76.0
210.12033	1.1
216.00565	6.2
217.01370	29.0
218.01921	2.5
219.02933	10.2
227.07031	1.1
227.12810	10.7
231.02951	10.3
232.03462	1.6
233.04532	1.3
235.08084	3.4
241.04996	1.1
243.02917	1.3
245.08241	3.9
253.05106	1.9
253.09236	7.8
259.05978	2.6
271.06104	8.0
275.05463	1.4
281.04578	1.9
285.04065	1.1
286.04465	1.2
289.07169	18.6
290.07651	1.3
295.24921	1.1
297.04016	2.7
297.07458	1.2
301.07156	9.0
302.07553	1.5
305.04608	1.4
313.07236	6.2
315.05243	0.9
315.08807	2.5
322.04599	1.0
323.05566	16.8
324.05865	1.3
327.08609	2.0
337.07080	6.7
341.06625	62.7
342.07120	5.6
345.09662	5.1
346.10165	0.9
355.08286	4.9
392.38129	1.0
407.19321	1.0
447.10806	13.2
448.11163	1.1
449.12582	1.7
463.10229	1.5
465.11856	100.0
466.12216	12.0
467.09360	1.5
491.09894	1.1
507.09332	2.8
508.09482	1.1
518.81207	0.9
617.12903	9.3
618.13324	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1136
Annotation	Taxillusin
Peak:m/z	Relative Intensity
57.03320	2.2
63.02258	0.6
65.00182	3.2
71.58227	1.0
76.99358	0.4
80.83378	0.5
81.03349	1.2
83.01254	8.1
96.95892	2.2
96.96801	0.5
107.01263	7.1
108.01620	0.8
125.02335	9.1
151.00262	36.1
152.00592	1.3
169.01328	100.0
170.01688	4.0
178.99831	0.7
213.20432	0.6
255.02991	1.0
271.02396	2.6
300.02649	4.1
301.03391	3.2
429.80319	0.5
447.09259	6.9
513.47351	0.5
625.07611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31342	1.0
57.03323	7.7
60.32261	0.9
65.00186	3.1
68.95480	1.0
71.01251	3.1
79.01752	0.9
80.24406	1.2
83.01252	5.4
85.24731	1.0
95.01245	2.2
102.99634	1.1
107.01266	9.9
109.02821	2.4
111.00758	1.9
121.02834	1.7
123.00736	5.9
123.04388	3.2
124.01553	1.3
125.02334	100.0
126.02674	3.9
134.33247	1.0
135.04428	1.1
137.02312	2.6
139.00223	1.8
139.03857	2.2
141.01694	0.9
147.04384	2.1
149.02330	7.5
150.03163	1.0
150.99121	1.6
151.00276	23.6
151.03891	2.8
152.00949	2.8
153.01842	17.8
161.02361	2.4
163.00279	10.6
165.01860	1.2
166.99780	1.1
167.03371	1.1
168.00533	5.3
169.01340	45.4
170.01674	1.9
175.00281	2.4
175.03914	11.3
176.01044	3.7
177.01833	14.0
178.02225	1.1
178.99760	7.5
181.01323	2.1
188.04785	1.1
189.05438	2.8
191.03378	1.7
199.03934	7.8
201.01970	1.3
203.03653	1.0
211.02455	7.4
213.05621	1.1
215.03412	1.6
217.05013	7.4
221.16817	1.1
241.05182	5.5
256.03601	1.8
257.04361	1.3
259.06012	1.2
267.02878	1.2
271.04596	3.3
275.05597	8.0
284.03207	10.5
285.00943	2.1
285.04019	37.6
286.04370	4.4
299.05576	1.2
303.05066	16.8
304.05307	1.6
309.04056	1.2
313.05588	44.5
314.05948	4.1
346.61572	1.0
439.09000	4.7
447.09055	1.5
455.06262	2.0
465.06931	3.8
466.07550	5.4
467.08167	2.2
477.06784	4.5
493.06314	5.5
494.06406	1.6
495.07770	1.5
589.12067	13.0
590.11456	1.1
591.11908	1.0
599.10345	42.2
600.10443	5.6
617.11365	57.2
618.11578	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1144
Annotation	Taxillusin
Peak:m/z	Relative Intensity
57.03327	5.7
63.76390	0.8
65.00185	4.3
69.61655	6.6
71.01243	2.5
81.03345	1.1
81.31109	1.0
83.01260	4.8
83.80698	0.8
95.01244	1.9
105.61951	1.0
107.00723	0.9
107.01283	9.6
109.02833	2.0
111.00752	1.6
121.02831	1.6
123.00758	7.5
123.04375	2.3
124.01587	1.6
125.02335	100.0
126.02684	2.2
137.02367	2.7
139.00262	1.6
139.03893	1.8
139.81801	0.9
140.01074	1.7
141.01758	1.3
149.02361	8.6
151.00269	25.9
151.03825	2.0
152.00967	1.9
153.01833	17.2
154.02208	1.2
161.02357	0.9
163.00270	13.3
165.01773	0.9
166.99736	1.5
167.03400	1.3
168.00609	4.6
169.01328	51.9
170.01682	2.0
171.04396	2.2
174.03026	1.3
175.00217	2.9
175.03914	13.2
176.01039	3.7
177.01848	16.3
178.99782	9.0
181.01314	2.0
188.04614	1.8
189.05530	2.4
191.03447	1.7
199.03975	6.6
201.01825	1.3
211.02431	8.0
215.03404	0.9
217.04990	7.7
231.06540	1.0
241.05199	5.3
256.03781	1.5
257.04553	1.8
257.47556	0.8
259.06076	2.5
267.02930	1.4
271.04498	6.5
275.05557	8.4
284.03241	11.7
285.04022	39.5
286.04358	3.3
299.05829	1.9
303.05035	17.8
304.05423	1.0
312.04947	1.5
313.05649	56.3
314.05954	2.8
439.08774	8.1
447.09262	1.6
465.06732	7.1
466.07422	6.7
467.08176	2.8
477.06711	5.2
493.06189	7.0
494.06546	1.0
495.07736	1.7
575.59741	1.0
589.11877	19.1
590.12305	2.7
599.10400	49.0
600.10559	8.0
617.11420	76.7
618.11786	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	617.1146
Annotation	Taxillusin
Peak:m/z	Relative Intensity
57.03327	15.0
65.00165	1.5
69.03316	1.3
69.78703	5.5
69.79111	3.1
71.01240	6.2
74.38222	1.5
79.79516	1.3
83.01232	4.1
85.02804	1.7
86.26580	1.5
92.76206	1.6
93.03278	1.7
95.01256	2.6
96.95856	1.9
97.02809	2.2
98.19772	1.6
107.01279	9.6
109.02821	5.7
111.00729	3.8
113.02274	1.4
113.99483	21.9
121.02816	6.1
123.00761	6.4
123.04369	6.4
124.01584	6.6
125.02338	100.0
126.02641	4.1
130.51015	1.6
133.02876	11.0
137.02309	3.2
139.00232	2.6
139.03879	4.5
140.01048	1.5
141.01831	1.3
145.02881	2.0
145.06361	2.5
146.03580	1.7
147.04387	1.7
149.02370	11.4
150.03087	3.8
151.00290	15.5
151.03946	11.0
152.01060	10.7
153.01784	3.4
161.04536	1.4
161.05936	5.5
163.00244	5.2
165.01865	1.5
168.00551	1.7
168.99959	2.3
169.01343	46.8
169.69652	1.4
171.04436	3.2
172.05165	1.5
173.06003	2.9
174.03101	4.4
175.03944	12.1
176.01028	8.3
177.01860	10.3
178.99777	8.1
180.00189	2.2
185.06004	1.7
187.03941	3.0
188.04654	2.4
188.89851	1.5
189.05487	20.5
191.03418	2.1
193.04961	4.8
199.03874	3.8
201.01620	1.8
211.02354	3.2
213.05499	3.2
215.03433	3.4
215.07013	2.7
216.04099	3.4
217.05005	60.4
218.02098	5.2
218.05348	2.8
219.02885	4.3
223.02145	1.6
229.04967	2.4
231.06506	4.5
235.06178	1.8
239.03485	2.5
241.04976	5.7
256.03748	1.9
257.04358	2.2
258.05200	2.3
259.03436	2.6
259.06094	46.8
260.06360	4.1
267.06802	1.4
271.04480	1.9
275.05499	4.4
279.06509	1.9
284.03250	6.5
285.04025	85.7
286.04361	7.4
295.09738	2.8
297.11261	2.7
303.05045	8.8
307.09637	3.4
309.11459	1.5
310.11926	4.9
313.02310	2.0
313.05667	27.0
314.06134	2.4
325.14276	1.7
337.14407	1.8
365.14011	2.2
379.10837	1.4
381.08127	4.6
381.13269	4.0
393.13351	2.7
421.11343	15.3
425.12357	3.8
435.08759	1.4
437.11270	3.8
447.09308	34.8
448.09399	4.0
455.06268	3.8
455.13193	3.6
463.08945	12.4
464.09106	2.0
465.10324	31.7
466.10721	3.9
491.08746	1.7
506.57831	1.4
531.11084	3.9
533.09222	1.7
573.12408	21.3
574.12512	2.1
599.10406	40.9
600.10632	8.1
617.11194	79.1
617.18707	5.6
618.11572	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	616.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	3.8
61.98697	4.0
67.01750	2.3
71.01256	3.7
71.58334	2.2
78.26588	1.9
83.58045	2.1
96.95884	3.5
107.01275	5.9
108.16248	2.1
111.00760	4.3
113.02296	1.8
123.00767	9.1
125.02324	23.2
139.00220	3.9
151.00270	10.8
153.01848	1.9
162.23222	2.1
166.99753	3.4
168.00534	4.4
169.01341	38.8
177.09068	3.8
211.02419	6.7
216.04250	2.3
221.11810	3.1
228.99115	1.9
253.03415	2.9
271.04681	5.3
285.03879	3.5
313.05676	16.4
553.19244	100.0
554.19788	11.5
617.11877	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	616.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46464	2.9
51.79343	2.7
53.27597	2.6
54.09087	3.0
57.03298	4.4
58.50317	2.5
59.01272	3.2
60.51945	2.5
61.89527	2.3
61.98711	3.7
62.82965	2.9
69.39236	26.7
71.01236	4.3
83.01242	3.7
85.02821	5.3
85.47781	2.7
95.01261	3.5
96.95879	4.6
97.97422	2.9
107.01247	8.8
111.00743	5.5
123.00764	13.8
125.02317	51.5
125.70873	3.0
139.00307	7.7
140.01059	3.8
141.01811	3.0
144.05626	3.4
151.00241	10.0
153.01846	3.2
156.45239	2.9
166.99745	9.1
168.00513	6.7
169.01317	53.2
211.02336	11.4
214.55832	3.2
259.06155	4.0
271.04605	17.4
285.04010	8.4
301.00024	3.7
301.03745	3.2
313.05652	18.9
553.19208	100.0
554.19299	14.4
617.11554	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	615.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06063	1.1
53.15802	0.9
55.01783	1.1
59.01221	1.9
65.00197	5.0
69.03311	1.5
69.48363	7.6
71.01238	6.2
71.04880	7.5
72.99174	1.0
77.35500	0.9
79.01766	12.6
83.01244	1.2
88.74457	1.0
95.01247	2.4
97.02827	5.8
101.02303	2.1
107.01264	7.7
109.02794	3.9
111.00753	3.6
111.37721	1.0
113.02323	1.4
121.02848	15.5
123.00768	11.1
124.01519	1.0
125.02332	58.7
126.02647	1.6
133.02835	4.4
134.03630	1.2
135.04408	41.4
136.04709	1.5
136.98653	1.7
137.02354	2.5
139.00247	5.5
139.03900	60.9
140.01031	3.5
140.04221	2.1
145.02800	1.7
149.02284	1.8
150.03084	1.2
151.00275	10.2
151.03844	1.1
161.02338	12.3
163.03938	2.5
165.01836	47.6
165.99017	1.6
166.02292	1.5
166.99739	2.1
167.03448	1.1
168.00507	2.9
169.01329	83.1
170.01686	3.4
179.03374	4.5
183.02914	2.0
185.60619	1.0
189.01927	2.2
191.03362	3.2
194.99232	1.4
195.06487	1.2
211.02411	7.9
241.03523	2.4
253.03502	1.4
255.02890	2.8
256.03192	1.7
269.04620	1.4
271.02365	3.5
271.04681	3.0
273.04517	1.3
283.02429	2.6
284.02911	3.2
285.03235	2.4
289.07132	3.1
297.04034	4.3
300.02695	4.2
301.03464	7.3
301.07135	11.0
302.03641	1.2
313.05630	75.3
314.06104	3.8
316.02307	5.5
317.03021	4.9
430.08939	1.4
447.09146	5.9
453.10352	73.3
454.10809	5.5
463.08752	10.3
479.08450	6.9
505.09750	4.9
577.14752	9.2
579.15668	1.5
615.13483	100.0
616.13641	17.4
620.89960	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74138	0.9
57.08583	0.9
59.01230	2.5
65.00184	2.9
69.58134	1.9
69.58533	7.1
71.01237	3.3
71.04890	8.8
71.35148	1.1
72.99164	2.1
73.02787	1.3
74.38707	1.2
79.01765	4.7
80.52468	0.9
85.02816	1.3
95.01253	2.0
95.04887	1.3
96.95880	2.7
97.02829	2.3
101.02302	2.0
107.01266	84.3
107.04912	1.0
107.48334	1.0
108.01615	2.0
109.02835	3.8
109.67081	1.1
111.00704	1.1
113.02242	1.0
121.02862	9.0
123.00754	6.2
125.02337	25.5
126.02483	1.1
133.02798	2.9
134.03618	1.7
135.04411	75.7
136.04750	2.6
136.65681	0.9
137.02318	3.7
139.00258	3.7
139.03902	25.9
140.01056	1.1
140.04242	1.5
141.01834	1.1
145.02849	2.9
147.04402	1.5
149.02353	1.7
150.03159	7.2
151.00278	19.4
151.03879	1.1
159.04471	2.2
161.02362	10.1
163.03926	1.9
165.01845	47.5
165.05502	6.4
166.02220	1.3
166.99722	2.6
169.01338	35.9
170.01613	2.0
171.10147	2.8
175.04005	1.5
179.03429	6.4
180.04222	8.4
191.03416	6.4
194.99274	100.0
195.06558	15.7
195.99634	3.2
196.06932	1.0
209.11867	1.8
210.05217	1.7
211.02504	1.3
218.99225	1.7
225.07635	10.0
225.11232	1.6
237.00369	3.1
249.00473	1.2
257.08136	6.1
284.69333	1.2
300.02866	1.7
301.03802	2.8
301.07095	16.5
302.07553	1.6
313.05643	31.3
314.05795	1.6
339.03549	32.8
359.15060	1.6
371.14825	1.4
423.09464	5.2
447.09454	1.1
449.11041	6.1
463.12399	17.5
464.12952	2.8
475.08801	94.5
476.09146	11.1
571.15234	1.4
615.13519	71.6
616.13763	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	615.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46231	0.7
59.01245	1.4
65.00193	1.2
67.01747	0.9
68.99698	1.2
70.45874	2.7
71.01261	4.5
71.04880	0.8
72.99191	1.0
73.02798	0.9
79.01723	0.8
83.01274	0.7
93.03303	0.8
95.01262	2.9
96.95849	0.8
97.02832	1.9
101.02317	1.0
104.50308	0.7
107.01275	13.5
107.12042	0.7
109.02837	1.4
111.00777	4.5
113.02328	2.1
121.02850	1.6
123.00773	13.4
124.01574	2.4
125.02333	56.2
126.02705	2.3
127.00234	2.0
130.04124	1.4
130.75755	0.8
131.04927	6.4
133.02753	1.1
135.04399	3.1
136.98669	1.3
137.02345	4.6
138.99301	1.0
139.00275	5.9
139.03902	3.2
140.01047	7.3
141.01813	2.4
149.02313	0.9
149.06001	5.5
150.03137	3.5
151.00269	13.1
151.03912	1.0
153.01845	0.7
163.00366	1.0
165.01849	17.3
165.05472	3.8
165.06651	0.7
166.99794	1.3
168.00539	7.8
169.01331	100.0
170.01678	4.3
175.03778	0.7
177.93626	0.7
178.99818	1.7
179.03377	4.3
180.04198	8.7
190.06239	1.8
191.07011	1.1
193.01395	1.1
194.05821	1.6
195.02936	0.8
195.06548	12.8
211.02440	2.5
223.02383	1.2
225.07617	7.5
241.03546	1.2
253.03389	0.9
271.04724	1.8
300.02902	1.0
301.03525	2.7
301.07187	2.9
306.07553	0.7
313.05603	26.5
314.06061	1.6
317.03012	6.8
331.06702	1.1
351.20963	0.7
359.14917	4.4
371.15228	1.0
379.39362	0.7
402.00525	0.7
417.75351	0.8
447.09418	1.6
453.10126	3.9
463.12451	86.1
464.12827	8.3
483.07861	1.2
567.22290	7.4
568.22461	1.3
571.14368	1.1
615.13562	51.5
615.24634	3.5
616.13934	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	615.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47923	1.5
59.01252	4.2
61.30573	1.3
65.00194	3.6
71.01266	3.5
72.99179	1.4
78.95776	2.9
79.01751	8.0
80.53342	1.5
83.01270	1.6
95.01254	1.9
95.04893	2.6
96.95889	6.4
99.00771	1.8
107.01262	3.8
109.02817	2.1
111.00776	2.3
113.02305	2.3
121.02842	15.3
123.00770	5.8
125.02341	28.5
133.94669	1.4
135.04407	46.2
139.03897	8.1
141.01820	1.7
150.03156	2.8
151.00249	5.9
151.27983	1.4
152.99553	1.7
159.04436	9.9
161.02347	10.7
163.03940	2.4
165.01840	55.5
169.01324	35.6
171.10187	6.7
179.03419	9.5
180.04236	2.2
182.03793	1.8
183.02928	2.1
193.01434	1.6
195.06580	2.6
201.05479	3.2
202.47755	1.6
203.03372	2.2
207.10339	2.4
211.02332	2.3
215.07025	2.7
224.06381	2.5
225.11293	5.2
229.98256	1.5
239.07248	1.6
255.23283	2.1
257.08145	18.5
283.06198	2.6
300.02991	1.9
301.07104	16.1
313.05609	27.9
314.06094	2.0
415.23428	2.5
463.12631	6.3
527.62775	1.7
597.10754	1.5
615.13507	100.0
616.13940	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	615.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79625	2.2
59.01233	3.2
65.00166	6.7
67.95442	2.3
69.40806	18.5
71.01266	3.7
71.04883	9.2
73.45167	2.7
75.56151	2.4
78.95762	2.1
79.01749	5.3
83.01257	3.1
90.07201	2.7
93.03322	3.9
97.02849	5.7
98.19816	5.1
101.02299	5.0
107.01279	15.7
109.02799	3.7
111.00787	2.8
113.02300	3.5
121.02823	10.6
123.00755	10.6
123.04372	3.5
125.02316	62.0
129.23126	2.3
130.00029	2.3
131.74017	2.4
133.02910	3.3
137.02380	4.8
139.00264	3.1
139.03903	45.9
149.02245	3.1
151.00272	53.9
157.21176	2.7
163.00214	2.7
163.03809	3.4
164.00958	2.4
165.01849	14.9
166.02516	3.7
167.03369	5.4
168.00533	7.8
169.01320	98.7
175.00250	4.0
177.01759	3.4
177.05510	2.6
178.99738	11.0
187.07536	2.5
190.02617	7.6
193.01308	9.1
201.05362	3.1
211.02388	7.6
215.06953	2.9
229.08646	4.9
234.73914	2.4
237.44304	2.2
241.03447	4.2
243.03032	2.6
255.03044	11.2
257.08246	4.5
271.02386	29.0
271.04681	2.9
273.07645	29.8
274.08194	4.0
282.05157	5.3
283.06152	19.9
297.07635	4.1
299.01752	12.1
300.02756	52.7
301.03574	93.7
301.07047	15.8
302.03830	7.9
313.05649	55.7
314.06027	5.5
447.09305	100.0
448.09549	11.2
453.10345	7.8
453.99377	2.4
465.06732	5.6
480.09076	4.0
519.92389	2.9
579.13525	5.5
587.13953	18.2
597.12408	65.9
598.12726	10.3
615.09851	81.9
616.10504	11.2
637.91650	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	613.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.2
63.54615	0.6
67.01746	0.6
69.48135	0.6
70.62001	0.6
71.01262	1.1
71.58556	0.9
75.00346	0.6
93.03349	4.3
95.43504	0.7
96.95895	2.1
107.01275	1.1
107.04765	0.6
109.02818	1.9
111.00718	0.8
119.04910	2.7
121.02827	4.2
122.03616	14.8
123.00753	2.5
124.01563	0.9
125.02331	5.9
133.02849	1.2
134.03561	0.8
135.04445	1.0
136.01540	2.1
137.02356	3.9
139.03891	1.2
145.02805	1.2
149.02338	21.6
150.03120	95.5
151.00304	5.2
151.03792	3.4
164.04709	4.2
165.01849	6.4
165.05476	100.0
166.02618	11.1
166.05779	4.6
167.03427	0.9
169.01329	6.9
177.01822	1.3
179.03424	2.4
180.04172	9.0
181.04973	14.1
187.03848	1.2
193.05038	0.7
195.06546	75.3
196.06833	3.8
205.05008	2.0
209.11732	0.8
210.05391	0.8
221.08041	0.8
225.07578	3.1
228.90540	0.6
299.09192	1.4
313.05652	2.8
387.10864	1.0
387.14682	8.5
402.12875	1.3
403.13721	1.1
417.10178	1.1
417.15527	15.7
418.15848	1.8
433.11429	0.7
467.11978	1.3
565.20746	2.5
566.21704	1.0
613.19257	3.4
614.17090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44837	1.1
56.45197	1.1
59.95260	1.1
62.06704	1.1
63.53999	1.3
69.51593	9.8
72.99187	14.4
98.20536	1.7
99.00746	4.3
103.00251	2.1
109.02824	22.5
115.24855	1.3
123.04395	26.7
127.00877	1.3
147.04340	1.5
151.03883	3.5
152.58437	1.4
181.04974	18.0
183.67216	1.2
191.03441	3.0
195.02896	4.9
253.03488	5.0
271.04578	100.0
272.04840	4.4
282.93594	1.4
291.67996	1.2
292.81390	1.3
381.71063	1.1
391.68613	1.5
513.57031	1.3
597.54248	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	613.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90464	0.8
56.16387	1.0
59.01255	1.1
71.01249	1.9
71.58261	1.0
72.99133	1.0
73.00318	1.0
75.00733	1.8
77.77726	0.8
85.02827	0.9
93.03326	5.4
95.01244	1.0
95.04912	0.8
96.95873	4.2
97.78235	0.8
102.29780	0.7
107.04931	1.0
109.02857	5.6
119.04895	2.1
121.02822	9.7
122.03625	12.1
123.00779	2.3
123.04414	1.6
124.01563	1.9
125.02324	4.5
131.04941	1.1
133.02837	2.8
134.03618	1.1
135.04408	3.2
136.01549	3.1
137.02341	15.4
138.03131	1.0
139.03864	2.0
145.02867	1.8
147.04408	1.6
149.02344	32.4
149.05977	1.5
150.03125	100.0
151.00270	8.2
151.03754	5.5
152.01108	1.7
152.04654	1.6
153.01857	1.4
159.04436	1.1
161.02310	1.5
163.03926	2.7
164.04671	6.2
165.01825	15.8
165.05479	98.8
166.02623	20.7
166.05812	3.6
167.03336	3.9
169.01302	2.7
174.03114	1.1
175.03943	4.0
176.04614	1.1
177.01735	1.3
177.05383	1.1
178.02599	1.4
179.03444	5.8
180.04189	15.5
181.04974	24.7
182.05286	1.3
184.03712	1.8
187.03911	3.1
190.02631	1.5
190.06256	2.3
191.03331	1.3
193.04907	2.4
195.06552	61.6
196.06879	2.6
205.05009	8.2
207.06575	1.5
209.11746	1.2
210.05219	1.7
211.13475	1.0
220.07378	3.8
221.08173	1.7
225.07607	7.1
235.09723	1.5
263.30414	0.8
269.04288	0.9
269.08234	0.9
282.05341	1.0
289.07181	1.2
329.10413	4.4
339.08615	1.2
359.11133	0.9
372.12311	2.0
373.12872	1.2
386.13559	1.3
387.10663	2.7
387.14758	13.0
403.14017	2.5
416.15170	1.2
417.15533	31.5
418.15884	2.8
520.17511	1.2
535.19330	3.9
547.20135	1.3
565.20709	50.1
566.21014	8.5
613.22638	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	613.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	1.6
59.29242	0.9
65.00182	1.3
67.01746	1.2
69.03320	1.1
69.26237	2.5
69.26650	8.6
70.07193	1.2
71.01253	3.0
79.01783	4.9
83.01264	1.3
85.02807	1.1
93.03344	1.7
95.01299	1.5
95.83801	1.0
96.95892	1.7
97.02819	1.6
97.55973	1.1
103.01791	1.0
105.03345	2.4
107.01249	7.2
111.00783	1.3
111.04411	2.3
117.03358	1.7
119.04906	37.9
120.05196	1.1
121.02841	2.6
123.00778	9.6
125.02327	35.9
135.04390	4.6
137.02338	3.8
139.00316	2.0
139.03905	2.7
140.01021	2.4
141.01712	1.1
143.04941	5.8
145.02803	7.0
151.00270	6.5
163.03807	1.8
164.01059	5.0
165.01807	6.2
168.00519	3.2
168.86429	1.0
169.01323	43.7
178.99783	1.2
179.03397	19.3
180.03932	1.1
183.02930	9.0
185.06041	1.0
191.03389	2.0
193.04907	5.3
197.04454	3.1
211.02397	1.8
219.10779	1.0
241.08620	7.3
255.02946	8.0
283.02457	18.1
284.02988	2.7
285.03833	2.8
285.07669	5.5
286.04114	1.3
299.09250	22.2
300.09595	2.0
301.03516	1.1
310.41849	0.9
313.05637	18.5
327.07306	3.6
369.09619	1.1
409.52316	1.0
428.07364	2.2
451.09558	2.2
461.14423	7.7
477.09955	1.4
569.16687	1.0
575.13855	15.5
576.14435	1.7
577.15417	5.3
613.15570	100.0
614.15918	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	613.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.2
61.98681	1.5
67.01765	1.6
69.03320	2.0
70.15437	6.3
71.01268	3.1
72.99162	1.9
78.95758	1.7
79.01756	11.2
81.31853	1.5
83.01258	2.8
84.37649	1.4
85.02824	2.2
87.00761	2.3
89.02357	2.0
93.03328	4.2
95.01266	3.1
96.95910	2.3
97.02831	2.8
98.19759	1.5
99.00721	1.2
101.02343	3.2
107.01287	8.2
111.00743	4.3
111.04453	2.1
113.02331	3.6
117.03333	1.9
119.04920	19.9
120.05252	1.5
123.00768	17.8
124.01575	2.5
125.02335	68.1
125.89307	1.6
126.02686	1.6
135.04417	11.6
136.98672	2.0
137.02362	1.9
139.00299	6.7
139.03906	2.9
140.01044	6.5
141.01842	2.6
145.02853	2.8
151.00275	13.9
151.03914	2.4
153.05469	5.6
163.03993	1.9
165.01765	1.6
165.05461	2.3
168.00549	8.9
169.01337	82.5
170.01709	3.6
171.09984	1.2
177.01849	2.8
179.03406	27.3
183.10173	2.1
185.11768	1.6
193.04973	2.9
195.06410	2.7
209.11771	1.3
211.02434	1.9
285.79037	1.3
297.06320	1.7
299.09253	35.6
300.09561	2.9
313.05652	66.4
314.06113	2.6
341.78482	1.4
422.31021	1.4
433.11993	1.5
451.10092	1.7
461.14413	4.4
467.12613	4.6
493.09909	2.2
613.15637	100.0
613.24738	12.2
614.15918	17.6
614.24976	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	613.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
59.01245	0.7
65.11726	0.4
65.15145	0.3
67.01751	0.6
68.99672	0.3
69.03322	0.9
70.45940	1.2
71.01250	2.4
73.02818	0.5
79.01757	5.9
81.03326	0.5
85.02806	0.5
85.06472	1.0
87.00737	0.4
91.05391	0.7
93.03322	2.6
95.01262	1.1
97.02825	1.4
98.85195	0.3
101.02328	1.1
107.01263	6.7
109.02782	0.3
109.06483	1.2
111.00783	1.1
111.04377	1.6
113.02312	1.2
117.03343	1.3
119.04912	16.5
123.00770	9.3
123.04409	0.8
124.01584	0.6
125.02335	41.9
126.02660	1.4
127.00224	0.7
133.06485	0.6
135.04408	6.7
136.98717	0.9
137.02357	0.7
139.00262	2.3
140.01042	1.4
141.01820	1.2
143.04924	7.3
145.02835	5.1
149.06001	0.9
150.03069	0.5
151.00275	7.9
151.03903	1.4
153.01845	0.8
153.05484	2.9
157.06487	0.8
164.04654	0.4
165.01822	0.8
165.05460	0.7
168.00575	2.5
169.01334	62.9
170.01634	2.0
179.03415	14.3
180.03836	0.4
191.03511	0.5
192.04099	0.6
193.01341	0.7
193.04980	8.7
195.02997	0.4
197.04460	0.7
198.06769	0.6
199.07561	2.7
205.04973	1.9
211.02388	1.9
211.11151	1.6
223.02545	0.4
241.03445	1.1
253.03423	0.7
255.10237	13.2
256.10602	1.0
271.04666	0.5
298.08484	0.4
299.09229	20.0
300.09515	2.0
313.05624	29.0
314.05899	1.8
459.09265	0.5
461.14526	9.3
462.14767	1.3
501.10306	0.5
513.13715	0.6
569.16602	7.9
570.16809	0.9
613.15601	100.0
614.15887	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	611.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07976	1.2
59.01253	2.8
68.51186	1.4
69.46084	7.0
69.46516	4.5
71.01232	1.9
78.95774	45.2
79.95606	2.5
90.18433	1.2
90.97037	1.6
96.95893	100.0
96.96848	74.6
98.02338	1.6
98.20571	2.9
98.90592	2.2
101.02341	1.7
116.23244	1.6
118.96551	3.4
121.31139	1.2
189.00732	1.3
201.00748	1.6
230.99432	1.5
277.21674	13.3
280.36496	1.6
291.04077	2.8
333.05008	1.9
351.06149	10.0
422.52567	1.4
521.67981	1.7
550.63922	1.5
551.25488	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	613.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22409	0.6
55.01741	0.8
59.01256	2.2
65.00191	0.8
67.01752	0.8
69.03327	1.5
71.01259	5.9
71.58583	0.9
72.99174	1.9
73.02818	1.0
77.00256	0.6
79.01762	13.3
79.02197	0.9
83.01252	1.1
85.02806	1.1
85.06464	1.6
87.00759	0.7
87.96149	0.7
91.05398	1.1
93.03336	4.0
95.01259	1.2
96.95888	2.6
97.02830	3.0
99.00748	1.2
101.02332	1.6
107.01268	10.5
109.02856	0.8
109.06490	1.0
111.00748	2.6
111.04356	3.5
113.02270	1.7
117.03367	1.2
119.04914	25.3
120.05237	1.1
121.02834	0.8
123.00756	10.8
123.04419	1.5
124.01572	1.3
125.02334	75.5
126.02674	2.4
135.04414	16.0
137.02356	1.8
139.00273	4.2
140.01044	2.8
141.01910	1.2
145.02852	4.8
149.05917	1.2
150.03105	0.8
151.00267	9.5
151.03923	2.6
153.01851	1.2
153.05481	34.4
154.05809	1.4
161.02321	1.9
163.03888	1.2
165.01843	4.5
165.05429	2.0
166.99663	1.1
167.03424	0.9
168.00562	5.7
169.01331	100.0
170.01663	4.2
177.01775	0.8
179.03412	29.9
180.04002	2.3
193.04996	4.2
195.06580	3.0
197.04486	1.7
199.07439	0.8
205.05016	2.6
211.02396	5.7
225.07648	2.4
241.03514	3.6
253.03593	1.1
255.10172	1.1
269.04300	0.8
271.04633	3.1
285.07532	1.6
299.06049	1.1
299.09216	32.0
300.09573	2.8
313.05634	89.6
314.05966	5.1
449.10672	1.0
451.10406	1.3
467.11905	47.5
468.12390	5.0
493.09933	4.5
519.11438	9.2
565.20941	1.0
613.15576	86.8
614.15900	13.6
642.93439	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28975	1.0
58.17225	0.9
59.01229	1.8
59.44197	1.1
66.16316	0.8
67.01735	1.2
69.03316	1.5
71.01234	3.6
71.58474	0.9
75.00755	1.4
79.01737	1.1
85.02817	2.8
93.50279	1.1
94.91307	0.8
95.01234	3.3
95.55301	0.8
96.95856	1.7
97.02802	1.9
101.02320	2.1
101.18166	0.8
105.01801	1.4
107.01264	10.9
109.02807	1.5
111.00748	2.4
113.02320	2.7
117.03345	5.2
117.92632	0.9
119.04906	11.7
121.02836	1.7
123.00758	19.0
124.01588	1.6
125.02330	55.0
126.02638	2.1
127.00278	1.0
136.98669	1.6
139.00281	4.3
140.01042	3.9
141.01797	2.1
145.02858	13.7
146.22763	0.8
151.00275	12.9
151.03932	1.1
151.07567	6.7
153.01817	1.5
163.03889	7.7
168.00552	4.9
169.01337	65.2
170.01682	2.7
174.57690	0.9
179.03409	1.6
187.30302	0.8
211.02538	1.3
213.50362	1.0
233.23361	1.0
236.02777	1.0
271.05978	1.2
272.06412	1.6
272.67899	0.9
297.11295	22.3
297.14517	1.7
298.11612	1.7
313.02304	1.6
313.05652	20.9
314.05890	1.8
341.31998	1.0
425.10538	1.0
445.91537	1.0
447.13174	1.9
459.16660	3.4
460.17377	1.1
465.13956	100.0
466.14404	9.6
611.17633	61.1
612.18073	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	611.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91125	0.6
57.08591	0.6
58.02866	0.7
59.01280	2.6
61.98711	0.8
62.26634	0.6
65.53783	0.6
69.03367	1.5
71.01248	3.8
73.02864	0.9
75.00771	0.9
78.08136	0.6
79.01794	1.7
83.01322	1.0
85.02864	1.9
87.00826	0.7
89.02346	1.0
89.40891	0.7
95.01309	2.8
96.95924	0.9
97.02872	2.2
101.02383	3.1
102.01892	1.9
107.01262	10.1
109.02902	1.0
111.00822	2.6
112.84379	0.7
113.02403	2.5
117.03346	4.8
119.04906	12.2
121.02863	2.4
123.00772	15.4
123.01643	0.8
123.04420	0.9
124.01556	0.7
125.02338	50.5
126.02741	2.1
136.98734	1.5
137.02373	1.3
138.03128	0.8
139.00241	4.3
140.01050	3.3
141.01875	2.4
145.02866	14.9
149.02333	1.0
151.00278	13.5
151.03886	1.6
151.07550	7.1
153.01877	1.4
163.03940	7.8
165.01875	1.5
166.99835	1.1
168.00569	4.3
169.01335	65.9
170.01747	2.6
177.01805	0.9
179.03398	1.6
211.02379	1.3
223.02422	1.3
241.03542	1.8
253.03488	1.2
297.11301	19.2
297.14478	1.5
298.11685	1.3
313.05670	22.6
313.09384	1.1
314.06055	1.0
350.55450	0.8
388.93481	0.8
447.13254	2.1
459.16373	3.8
465.13995	100.0
466.14386	11.9
611.17639	74.7
611.28326	0.9
612.18073	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	611.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	9.2
59.01227	2.9
61.30667	1.0
63.02263	2.5
65.00188	4.6
67.00075	1.0
69.60918	6.0
71.01242	1.4
75.00726	1.2
83.01249	7.1
89.02304	2.3
91.58171	1.2
93.03389	1.4
95.01204	1.4
96.72452	1.0
101.02359	1.4
107.01263	9.4
109.02839	4.7
111.00745	1.2
117.03350	1.8
119.04904	2.6
121.02817	3.4
123.04421	4.6
124.01560	1.5
125.02328	100.0
126.02666	1.7
131.01186	1.4
135.04410	1.4
137.02298	2.5
139.03920	3.1
145.02815	4.2
146.53018	1.1
147.04469	1.2
149.02350	11.8
150.02892	1.5
151.00269	30.1
151.03874	3.1
152.01028	3.4
153.00639	2.2
153.01834	37.2
153.03067	2.0
154.02255	1.9
159.04529	1.7
161.02441	1.4
163.00276	4.1
163.03862	1.3
167.03441	2.2
169.01315	4.7
173.05995	1.3
174.03067	2.2
175.00299	5.3
175.03880	12.8
177.01830	22.8
178.99773	19.3
181.01299	3.2
183.04434	2.5
188.04651	2.1
189.05435	4.3
191.03394	3.8
195.02951	1.5
199.03938	7.8
201.01799	1.8
211.04027	1.4
211.13359	1.8
212.13492	1.3
213.05464	2.2
213.14908	6.1
217.04993	6.9
219.02859	1.6
223.04108	1.5
227.03297	2.0
241.05106	5.8
243.03012	1.6
255.02972	47.2
256.03412	2.9
257.04672	1.9
259.06165	5.5
275.05612	19.0
276.05997	1.4
283.02469	88.7
283.49429	1.2
284.03070	13.7
285.04034	72.4
286.04370	4.2
299.05612	6.0
303.05081	77.7
304.05374	6.2
307.08356	1.1
327.04916	1.8
342.27164	1.3
397.13449	1.6
428.07458	15.7
429.07825	5.9
431.10211	1.5
459.09161	2.3
461.10904	8.9
471.09164	2.5
487.08850	4.6
575.14044	91.0
576.14197	14.2
583.14594	5.1
593.12915	4.9
594.13776	1.5
611.13647	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90160	1.2
57.03324	8.6
59.01240	2.3
59.29276	1.0
63.02244	1.9
65.00179	5.5
69.52030	10.1
71.01284	1.7
81.92075	1.0
83.01247	5.9
89.02291	1.6
93.03325	1.8
107.01286	8.1
109.02821	4.6
110.07780	1.3
117.03309	1.4
119.04905	2.0
121.02870	1.4
123.04385	3.7
124.01505	2.0
125.02325	93.3
126.02634	2.5
137.02350	3.4
145.02840	5.8
149.02353	15.4
150.03011	2.0
151.00258	34.6
151.03896	4.3
152.00980	3.5
153.01825	37.2
153.03082	2.2
154.02164	1.2
161.02391	1.4
163.00311	3.8
163.03920	2.2
167.03400	1.5
169.01303	3.7
171.04411	2.4
174.03108	2.8
175.00325	2.8
175.03929	13.0
177.01849	18.3
178.99767	18.8
180.00189	1.4
181.01367	3.2
183.04372	1.7
187.03908	1.8
188.04820	1.4
189.05522	5.9
191.03362	1.7
192.62759	1.4
199.03952	6.1
201.01730	1.5
207.02921	1.2
211.03914	3.1
211.13313	1.6
213.05432	2.2
213.14883	3.7
217.04906	7.6
227.03392	2.6
241.04965	3.9
255.00224	2.7
255.02934	51.5
256.03354	2.3
257.04517	1.7
259.06094	3.3
275.05594	16.5
283.02444	100.0
284.03033	15.4
285.04022	63.2
285.06650	1.0
286.04355	3.6
299.05542	5.5
303.05051	69.7
304.05399	5.1
327.05096	2.4
397.13678	1.7
428.07486	18.6
429.01624	1.1
429.07877	5.6
459.09683	1.7
461.10980	8.1
487.08649	5.0
524.36615	1.2
575.14026	98.1
576.14447	12.7
583.14233	4.0
593.12714	4.8
611.13623	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	611.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.2
59.01237	3.9
60.71262	1.1
60.71554	1.1
61.98699	1.5
65.00192	2.5
71.01243	7.4
71.58324	0.9
77.84776	1.0
78.95753	1.1
81.03322	1.3
83.01244	2.2
85.02827	1.5
87.00780	1.4
87.54056	1.0
88.98698	0.8
89.02340	2.1
93.03291	1.2
95.01292	2.1
96.95873	1.9
101.02308	2.9
107.01252	12.3
108.16473	0.8
108.63468	1.0
109.02814	1.8
111.00726	2.3
113.02325	1.8
115.70765	0.9
117.03335	2.2
119.04894	2.4
121.02855	1.3
123.00751	8.5
123.04369	2.8
124.01517	2.5
125.02331	72.4
126.02672	1.5
132.72466	0.9
137.02332	1.6
138.97346	0.9
139.00249	2.7
140.01012	2.0
141.01825	1.4
145.02841	4.5
147.04416	2.4
149.02304	2.0
151.00258	11.0
151.03914	2.5
152.00946	1.0
153.01784	2.3
159.04286	1.1
165.01775	1.0
165.05473	1.7
168.00520	3.7
169.01329	80.2
170.01741	1.9
175.03874	4.9
177.01813	4.3
178.99718	3.0
179.03488	1.3
189.05429	1.9
191.03416	58.1
192.03726	3.7
195.02960	1.1
199.03871	1.1
211.02155	2.2
211.13373	5.5
212.13637	4.7
217.04936	3.0
241.03386	3.3
255.02820	2.4
259.06073	3.7
259.18280	1.2
271.02261	1.9
283.02448	3.4
284.03180	2.4
285.04120	10.2
297.07553	6.2
300.02658	3.1
301.03412	2.3
303.05081	4.0
313.05643	40.5
314.05948	2.3
392.47214	1.2
397.13538	1.7
398.13525	2.4
399.13950	1.9
447.09286	5.4
485.11008	1.3
505.10199	1.7
575.14404	5.2
593.13074	3.8
611.13959	100.0
612.14313	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	611.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24966	2.2
59.00945	5.4
59.01246	100.0
63.02292	3.5
65.00198	10.1
83.01256	3.4
95.01282	4.2
103.51349	2.2
107.01289	10.0
109.02800	13.9
111.00776	13.1
123.00733	3.9
133.02873	3.0
139.00253	14.0
139.37180	2.2
141.01805	3.7
142.64290	2.3
149.02292	5.9
149.99504	2.9
151.00258	43.4
154.99652	3.4
161.02312	2.6
165.98946	3.4
166.99788	3.9
169.01338	10.3
175.03969	7.0
177.99008	6.5
178.99768	63.9
181.01366	3.6
187.03917	5.7
189.01842	3.9
194.99367	5.1
198.29552	2.4
203.03438	7.6
204.04144	3.0
215.03450	7.7
217.01332	3.6
217.04779	2.3
229.01497	3.4
231.03036	3.3
232.03754	12.3
233.04495	18.0
243.02940	8.3
247.02475	4.0
258.01730	3.1
259.02414	6.8
260.03223	2.8
261.03998	3.3
271.02393	17.1
285.00482	2.7
286.01245	6.6
287.01984	26.5
288.02658	3.0
289.03500	6.8
297.00354	5.2
300.02731	6.3
301.03586	6.9
304.53711	2.7
305.02878	4.4
314.00656	5.4
315.01401	29.0
315.91461	2.4
316.01819	5.6
329.10172	4.5
332.01700	9.2
333.02481	13.0
339.07175	3.4
341.10193	2.5
344.12604	3.8
359.14883	15.9
365.09024	4.2
371.15170	8.8
379.10309	10.2
421.07898	4.5
435.09473	3.6
442.71353	2.6
447.05212	14.2
461.07443	4.6
465.06491	15.8
479.08191	25.9
484.64655	2.8
520.49146	3.3
611.12616	25.4
612.12769	4.3
633.17316	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	611.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70021	48.7
61.98703	55.1
62.46665	48.8
67.55862	51.9
71.48629	100.0
78.95774	60.9
99.49194	45.6
119.26350	45.8
140.86740	43.8
211.13274	63.3
235.06499	58.6
250.96428	50.9
274.85648	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.8
59.01247	1.7
65.00203	1.6
71.58556	1.0
75.00735	0.7
83.01257	1.8
89.02332	1.4
96.95861	0.7
101.02308	0.7
107.01254	2.1
109.02842	1.4
113.02307	0.9
117.03354	1.0
119.04919	1.4
121.02857	0.8
123.04435	0.8
125.02341	19.3
137.02293	0.6
139.03908	0.6
145.02859	1.7
149.02344	2.9
151.00281	8.6
151.03841	0.9
153.01834	7.4
163.00247	0.9
164.00932	0.7
169.01335	1.9
175.03926	3.0
177.01845	3.8
178.99745	3.6
183.04405	2.1
189.05482	1.3
191.03397	0.8
199.03941	1.9
211.04002	2.2
211.13368	1.3
212.13673	0.9
217.04991	1.8
227.03500	2.8
231.06551	0.6
241.04968	0.9
255.02960	45.7
256.03391	4.1
257.04398	0.7
275.05606	3.4
281.74646	0.7
283.02457	100.0
284.03070	16.3
285.04001	17.3
286.04501	1.0
303.05081	12.4
304.05496	1.1
323.45944	0.7
374.24078	0.7
428.07422	14.9
428.12955	1.1
429.08041	6.6
430.08926	0.8
431.09824	0.9
459.18457	0.7
461.10690	1.8
487.08847	1.3
575.14020	95.4
576.14288	14.1
583.15076	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	609.146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59539	0.3
63.02262	1.0
65.00198	0.9
69.62635	2.3
83.01265	1.2
89.02296	0.3
91.01793	0.4
93.03320	0.8
95.01183	0.4
96.95897	0.6
98.20680	0.3
101.56274	0.3
102.36775	0.3
107.01250	2.6
109.02813	0.6
113.02339	0.4
117.03340	0.5
118.04477	0.4
119.04961	0.4
123.00838	0.4
125.02345	1.0
132.02090	1.2
135.00758	1.5
137.02322	0.6
139.00232	0.4
143.04930	0.4
145.02858	0.7
151.00264	4.6
153.01843	0.4
157.06563	0.4
159.04408	0.6
163.00256	2.0
164.01048	1.0
167.04994	0.6
169.01334	2.5
169.06496	0.5
171.04391	0.8
178.99841	2.0
183.04437	1.4
185.02357	0.5
185.05983	1.4
187.03918	1.8
189.05461	0.4
197.06079	0.5
198.03023	0.4
199.03905	1.1
200.04671	0.3
201.05409	0.3
211.03989	1.9
213.05470	0.7
227.03438	35.9
228.03790	2.5
229.04997	5.6
239.03423	1.4
240.04086	0.5
241.04982	1.0
243.03047	1.0
249.05594	0.4
255.02962	72.6
256.03464	9.4
257.04559	4.9
267.03061	0.6
271.02341	2.7
272.02713	0.6
283.02472	3.9
284.03247	100.0
285.03989	63.0
286.04349	4.0
300.02728	5.1
301.03354	1.2
309.04062	0.4
313.05722	0.6
327.05042	0.5
339.04932	0.4
339.67386	0.4
380.50647	0.4
411.07657	0.5
429.08212	2.7
447.09253	9.0
448.09683	0.7
463.09039	0.4
465.09430	0.8
609.14569	66.4
610.14819	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	609.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.7
57.03304	0.6
58.00464	1.1
59.01249	21.5
60.01607	0.3
61.78110	0.2
68.99677	0.2
69.03313	1.5
71.01249	20.3
71.58119	0.3
72.01589	0.5
72.99169	1.6
73.02811	3.0
73.62819	0.2
75.00738	0.6
78.95725	0.4
81.03336	0.8
81.47344	0.2
83.01257	2.1
83.04893	0.5
85.02822	3.7
87.00745	4.8
88.01126	0.3
88.06451	0.2
88.12542	0.2
89.02314	18.8
90.02665	0.4
91.03867	0.5
95.01265	1.2
96.95875	0.5
97.02829	3.0
99.00761	0.9
101.02321	15.5
102.02697	0.3
103.00184	0.3
103.03895	0.3
109.02881	0.6
111.00784	0.4
111.04398	0.6
113.02325	8.4
115.03909	0.4
119.03387	4.8
119.04857	0.4
120.03645	0.2
121.02822	0.6
124.01593	0.3
125.02328	7.0
127.03894	0.3
131.03404	0.7
133.04924	0.6
139.03883	0.6
141.01820	0.3
143.03387	3.5
145.02917	0.3
149.04453	0.7
151.00323	0.3
155.10716	0.2
161.04454	3.4
163.03909	0.2
165.05553	0.3
167.03517	0.5
167.10707	0.4
167.14377	0.6
169.01314	0.3
179.05530	3.5
180.05997	0.3
183.13815	7.6
185.04564	0.3
193.12267	2.0
199.06078	0.4
211.13326	100.0
212.13669	5.1
217.06996	0.4
221.06494	1.1
235.08165	6.6
236.08658	0.3
245.06572	0.3
249.28114	0.2
253.09209	1.5
255.02859	0.4
263.07703	0.8
271.02478	0.4
277.09119	0.4
287.07709	1.6
300.02673	0.5
301.03494	0.6
305.08798	1.6
323.09872	0.9
361.11450	0.3
379.12408	0.6
397.13480	44.9
398.13876	3.8
415.14560	23.1
416.15009	1.6
447.09280	0.4
461.12494	0.3
609.27448	2.1
609.75983	0.3
610.28595	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02276	0.7
63.87114	0.5
65.00196	1.2
71.43675	1.0
83.01254	1.6
93.03355	0.9
95.01257	0.7
96.95892	0.8
107.01274	3.6
109.02839	2.7
111.00772	1.2
119.04909	1.3
121.02872	2.4
121.06451	0.5
123.00732	1.5
125.02335	6.0
133.02858	0.6
135.04425	1.3
137.02316	0.8
139.00261	1.1
141.01962	0.6
141.99529	0.5
145.02837	0.6
149.02325	1.5
151.00262	12.4
151.03828	0.6
153.01831	1.7
159.04408	1.4
161.02333	1.6
163.00230	0.9
163.03899	0.9
164.01027	0.8
165.01808	1.8
167.03476	0.5
169.01346	3.8
171.04385	1.5
173.05971	0.7
175.00267	1.6
175.03914	1.4
177.01805	2.2
178.99767	2.7
183.04439	1.8
185.05988	0.6
187.03952	1.3
189.01869	1.0
189.05566	0.8
190.99748	0.6
192.00519	1.2
193.01349	1.9
199.03940	3.9
201.01817	1.4
201.05565	0.6
203.03339	1.1
211.03938	1.4
215.03391	2.6
226.02702	1.2
227.03404	6.1
228.03955	0.7
229.05014	0.7
233.04515	0.6
242.01981	0.6
243.02882	5.3
244.03311	0.6
245.04422	0.7
254.02164	0.9
255.02951	17.9
256.03354	1.7
257.04294	0.8
271.02457	64.5
272.02896	5.0
283.02454	24.2
284.03146	5.2
285.04016	19.6
286.04379	1.5
297.04007	0.9
299.01944	100.0
300.02551	19.7
301.03497	79.6
302.03842	6.2
313.03128	1.2
321.06137	0.6
327.04880	1.0
343.04462	1.2
439.07297	0.6
446.08426	3.8
447.09283	25.2
448.09454	2.1
462.08008	26.5
463.08746	25.4
464.08902	1.9
489.10193	1.7
505.13742	0.9
609.14526	81.4
610.14941	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	609.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62464	0.4
60.06533	0.3
63.02261	1.0
65.00191	2.4
70.98500	1.1
77.26339	0.4
83.01247	1.6
85.19234	0.4
93.03345	0.5
107.01271	5.6
107.09203	0.4
108.02088	0.6
109.02818	1.3
121.02837	6.3
124.38525	0.4
139.03906	0.4
149.02327	0.7
151.00267	27.9
152.00638	0.8
163.00241	3.2
164.01076	0.7
169.01308	1.3
178.99780	13.6
190.99780	0.6
193.01395	0.4
198.03049	0.4
199.03853	0.5
211.03931	1.1
214.40179	0.4
215.03600	0.5
226.02792	0.9
227.03438	1.8
229.04984	1.5
231.17502	0.4
239.03526	0.8
243.02919	4.3
245.04445	2.2
254.02217	1.5
255.02965	15.4
256.03372	0.6
271.02466	27.9
272.02930	2.4
273.04092	2.6
283.02426	1.7
299.01874	1.4
300.02728	82.5
301.03491	100.0
302.03821	6.7
327.46756	0.4
335.09988	0.4
414.71524	0.5
447.09283	81.6
448.03720	0.8
448.09637	9.5
463.08829	3.5
609.14697	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50104	0.8
53.92004	0.8
55.01756	1.3
55.26091	0.8
57.03325	1.8
58.00475	1.5
59.01252	47.7
61.98700	11.2
63.87460	0.7
68.95214	0.8
69.03335	1.1
69.26622	7.3
69.27027	1.7
71.01250	34.1
72.99181	3.2
73.02815	15.2
75.00729	1.5
78.95765	1.9
83.01260	10.3
85.02824	13.2
87.00738	3.1
89.02316	15.3
92.35044	0.9
95.01264	2.2
96.95885	1.8
97.02814	2.1
99.00762	3.5
101.02320	37.1
103.03898	5.3
109.02831	0.9
113.02322	10.0
115.03922	0.8
119.03381	5.5
119.04907	1.5
121.02789	1.1
125.02332	7.5
131.03387	2.5
143.03403	2.8
145.04984	2.2
159.02878	2.1
161.04474	7.4
163.03915	1.1
163.06023	11.3
205.07089	4.3
209.11780	4.0
221.19064	1.2
221.35046	0.8
307.10388	1.8
389.18967	0.9
401.25397	21.3
402.25751	1.6
510.05453	1.0
547.31207	100.0
548.31738	13.5
591.30219	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	607.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77823	1.0
59.01241	3.2
65.24939	1.0
71.01248	2.8
71.57537	1.5
72.99168	2.2
73.02801	1.3
77.03833	1.2
79.01749	2.4
83.02399	1.4
89.02325	2.8
95.01230	1.1
96.95904	1.3
97.02832	1.4
101.02330	1.2
109.02871	2.1
110.40195	1.0
113.02328	1.4
119.04891	2.4
121.02856	8.4
125.02322	2.3
135.04460	1.0
137.02254	1.3
145.02875	2.4
149.02376	2.1
151.00258	2.7
151.03955	1.2
161.02467	1.2
163.03798	1.2
165.01831	14.5
165.05525	1.4
169.01463	1.3
177.01808	2.6
177.88353	1.1
179.03462	1.7
187.03877	1.0
193.01306	4.6
209.11794	5.0
225.05484	1.3
225.43132	1.0
233.00818	3.4
240.04169	1.1
241.04997	2.6
257.04538	4.3
269.04565	13.4
285.04050	22.7
286.04364	3.0
297.03986	4.7
298.04733	1.8
299.02341	1.2
299.05505	3.9
299.09253	3.4
301.03323	1.7
313.03485	4.0
314.04279	63.5
315.05038	69.1
316.05292	6.5
317.05780	2.1
379.06723	1.1
397.13547	3.2
415.14816	2.1
445.11749	2.0
461.10876	100.0
462.11292	11.8
463.11572	2.4
477.55093	1.2
546.30084	1.1
589.12048	1.5
592.91077	1.1
607.16626	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	607.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80920	0.8
59.01238	1.3
65.00214	0.9
69.27491	2.7
69.27908	7.1
71.01252	2.0
72.99184	1.5
76.42767	0.9
79.01759	3.1
96.95837	1.4
97.02848	1.4
98.20702	1.4
107.41964	1.1
109.02827	2.7
121.02832	7.8
125.02309	3.2
129.39514	0.9
135.04396	1.0
137.02354	2.0
137.36998	0.8
145.02847	2.4
149.02336	2.6
150.03165	0.8
151.00302	2.2
153.01961	1.0
163.03827	1.2
165.01828	14.3
169.01273	1.9
177.01869	2.2
183.02892	1.1
193.01346	6.0
205.01508	1.0
207.02806	1.1
209.11807	2.1
225.48126	1.1
240.04137	1.2
241.05009	3.0
257.04568	5.0
269.04517	18.7
285.04037	26.6
286.04440	3.3
287.04742	1.2
297.04031	5.3
298.04605	2.5
299.05542	2.4
300.38327	1.0
301.03751	1.0
313.03610	4.4
314.04288	66.9
315.05051	65.7
316.05386	6.2
445.11703	1.8
461.10861	100.0
462.11203	11.0
463.11395	3.0
589.12103	1.0
607.16571	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	607.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57349	1.0
57.41896	1.1
63.02282	1.0
65.00179	2.5
71.01270	1.5
71.56953	1.5
72.99183	1.2
82.81319	1.0
83.01248	1.8
95.01302	1.7
103.00232	1.1
106.22121	1.1
107.01260	3.1
109.02839	3.8
109.99989	4.9
111.00758	3.2
121.02831	2.1
123.00798	1.9
124.01584	2.4
125.02321	7.5
137.02327	4.4
139.00250	6.0
146.03693	1.1
149.02327	2.0
151.00270	21.7
152.00980	3.7
156.89449	1.0
161.02307	1.6
163.00290	7.4
164.01041	3.1
165.99013	7.0
166.14386	1.0
166.99768	5.7
169.01370	2.6
171.04425	1.0
175.03851	1.8
178.99774	20.7
183.04485	1.2
187.03854	1.5
189.01817	1.4
190.99738	1.2
199.03928	3.7
201.01848	1.1
203.03395	1.5
206.99266	2.2
208.00204	1.2
208.02133	1.1
209.11751	3.3
211.03912	1.0
213.02074	1.0
214.02695	1.7
215.03494	2.9
217.92441	0.9
225.23566	1.0
227.03496	5.2
231.02882	1.8
241.01373	1.2
242.02231	2.2
243.03023	8.6
244.03384	1.2
245.04488	3.7
255.02907	10.0
256.03574	1.3
259.02420	1.6
270.01587	3.6
271.02451	27.9
272.03107	6.1
273.03860	3.5
287.01950	11.5
288.02655	3.8
289.03412	1.3
298.01053	2.2
299.01901	21.4
300.02692	32.2
301.03485	25.0
302.03967	2.2
315.01617	5.2
315.04956	1.3
316.02200	46.4
317.02954	64.2
318.03516	5.6
327.01489	1.3
341.02927	2.8
379.59073	1.2
397.13525	2.2
445.07599	3.9
447.09277	32.6
448.09473	3.0
454.12027	1.6
461.07217	43.4
462.07712	6.5
463.08798	100.0
464.09082	11.3
475.08939	4.2
607.12970	28.5
608.13519	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	607.13
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29001	1.1
59.01241	3.1
60.81960	1.3
65.00182	2.4
69.41730	1.3
71.01252	4.7
71.58723	2.1
72.99178	1.3
73.02808	1.5
77.17781	1.1
81.64505	1.1
82.96786	1.2
83.01269	1.7
85.02828	1.3
87.04365	1.7
87.80887	1.2
93.03323	1.9
95.01270	2.0
96.95852	1.4
96.99193	2.1
96.99834	1.3
97.53293	1.2
98.18646	1.4
101.70512	1.2
103.87392	1.2
107.01259	4.8
108.02056	1.9
109.02841	4.6
109.39794	1.2
109.99991	2.5
111.00781	2.5
115.00291	1.4
116.24780	1.2
121.02841	3.8
123.00725	3.0
125.02348	4.1
131.03389	4.8
137.02356	3.6
139.00288	5.4
139.03882	1.4
143.05008	1.6
147.04411	1.6
149.02344	2.3
151.00266	26.8
152.00957	3.0
153.01830	2.3
154.19948	1.3
159.04375	1.4
163.00261	8.1
164.01051	3.1
165.01794	4.2
165.98988	5.3
166.99782	2.6
169.01355	4.2
171.04402	1.9
175.55731	1.3
178.99797	19.4
179.03397	1.2
180.00037	1.7
185.05948	1.9
187.03935	1.6
193.01346	1.6
199.03941	2.8
201.01897	2.2
203.03339	2.2
206.99223	1.8
211.03999	2.0
215.03406	4.2
226.02606	2.4
227.03380	9.4
229.05000	3.3
231.02849	1.5
242.02119	1.5
243.02943	11.5
244.03493	1.9
245.04517	3.5
253.01303	1.2
254.02258	1.8
255.02957	26.0
256.03510	2.0
270.01669	2.6
271.02448	49.0
272.02997	5.6
273.04022	3.7
283.02515	3.9
284.03293	10.1
285.04013	18.0
286.04248	2.0
287.01987	12.4
288.02539	3.6
298.01047	2.5
299.01953	18.3
300.02728	67.4
301.03491	40.6
302.03879	3.0
315.01413	6.0
316.02197	38.9
316.05731	2.4
317.02969	47.2
317.06680	2.7
318.03354	3.9
431.09711	18.5
432.10052	3.0
445.07733	2.9
446.65280	1.4
447.09210	15.9
448.09851	1.9
461.07190	22.4
462.01636	1.3
462.07574	4.3
463.08798	100.0
464.09067	13.1
607.12933	21.1
608.13800	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	607.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	3.5
65.00187	4.2
69.34357	1.2
71.01254	3.2
78.74413	1.2
82.86074	1.1
83.01256	1.6
87.00751	1.3
93.03328	1.7
95.01265	2.1
96.95898	2.0
96.99197	1.2
98.19772	3.9
99.00762	1.6
100.51466	1.2
104.57179	1.1
106.79462	1.3
106.88725	1.1
107.01268	3.6
109.02840	4.1
109.99955	7.0
110.58363	1.2
111.00780	5.7
121.02850	1.5
123.00771	4.2
125.02312	4.7
136.98715	1.6
137.02330	5.1
137.99492	3.6
139.00273	14.9
145.51295	1.3
146.03737	1.3
149.02316	4.6
151.00269	16.2
152.01012	3.5
153.01855	2.7
159.04370	1.6
161.02370	2.1
163.00299	5.6
164.01019	4.5
165.01857	3.3
165.98967	9.7
166.99736	5.3
169.01328	3.8
169.06348	1.2
174.88901	4.2
175.03905	1.7
176.01157	1.5
177.12715	1.2
178.99773	15.7
180.00183	1.5
187.03918	2.7
188.04573	1.3
189.01892	2.7
190.99701	1.2
193.98567	1.3
194.99339	1.8
197.05989	2.4
199.03944	3.0
201.01866	1.5
203.03503	1.8
206.99362	1.5
214.02579	1.4
215.03387	4.5
217.04947	1.5
225.05487	2.4
226.02649	2.0
227.03416	4.7
229.01294	1.5
231.02896	2.8
241.04866	1.6
242.02104	1.8
243.02896	5.9
245.04425	2.0
255.02939	4.5
259.02344	2.7
269.01538	2.3
269.04520	26.9
270.01669	4.3
271.02429	20.4
272.03000	3.1
273.03995	2.4
285.03998	2.3
287.01993	17.7
288.02609	3.2
289.07120	1.2
297.04007	53.0
298.01495	1.9
298.04608	8.5
299.01950	16.2
299.05551	7.0
300.02615	2.6
301.03311	3.2
315.01419	7.2
315.98471	2.5
316.02213	50.9
317.02966	64.8
318.03406	4.5
329.10986	1.1
381.05804	1.9
431.10037	2.4
445.12024	1.6
447.09421	1.6
460.10257	2.8
461.07059	29.0
462.07529	3.2
463.08801	100.0
464.09082	11.2
503.32269	3.0
607.16113	41.4
608.16589	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.7
58.00478	1.1
59.01253	34.1
69.03322	2.4
71.00883	2.0
71.01254	23.5
71.58399	1.2
72.99171	6.1
73.02816	12.0
78.95772	8.3
79.95608	2.8
81.03333	1.4
83.01263	2.8
83.04910	1.2
85.02827	11.0
87.00748	1.9
88.15082	1.0
88.95746	0.9
89.02310	12.9
95.01260	1.6
96.95887	100.0
96.96810	13.1
97.02833	3.5
98.02338	1.6
99.00746	2.3
99.72564	1.0
101.02321	19.2
103.03889	10.5
109.02842	1.2
113.02323	4.5
119.03414	5.6
125.02336	15.5
143.03412	2.2
145.04974	1.9
151.00322	1.4
159.10188	11.3
160.54395	1.0
161.04459	3.5
163.06046	13.5
169.01334	2.4
205.07088	1.1
209.11784	13.3
219.17638	1.5
227.12894	3.2
233.01413	1.3
237.18533	4.0
247.08113	2.3
251.51263	1.1
253.09247	2.4
307.10318	15.3
308.10495	1.3
313.05713	1.2
395.06665	1.6
469.13266	1.0
545.29742	20.9
546.29999	2.5
605.25684	1.9
629.86609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85859	1.9
78.95760	0.7
97.94956	0.6
110.94285	0.6
110.98701	0.6
154.79103	0.6
181.23894	0.6
203.47427	0.6
250.16267	0.6
353.14618	0.7
401.17834	0.7
415.15396	0.8
429.17130	1.1
430.17819	1.6
443.18692	1.1
457.20178	2.3
459.18454	2.7
469.20657	0.8
470.20978	0.7
471.18375	2.1
473.19434	4.8
474.19937	1.0
485.19937	2.4
486.20505	2.8
487.21185	1.7
496.18820	0.9
499.17712	1.6
501.23074	2.2
503.21301	0.7
511.21469	1.6
513.19067	1.4
514.20166	8.3
515.20319	1.4
518.19568	2.0
529.22418	100.0
530.22717	17.8
532.21271	1.9
533.21552	1.7
568.49640	1.0
569.49524	1.0
573.21509	0.8
605.24451	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	36.5
61.98682	7.2
64.25381	4.9
67.97818	5.2
69.29137	29.6
69.29567	19.9
71.01266	20.8
73.02816	6.7
78.95766	12.2
79.13887	4.6
85.02828	9.7
89.02314	14.8
96.95897	22.3
97.73651	5.4
98.20551	9.7
101.02306	22.6
111.08025	15.3
113.02361	9.0
161.04474	8.0
197.11755	64.0
209.11920	6.2
211.13396	10.8
253.09288	44.2
291.19641	27.7
309.20697	100.0
315.04666	5.5
545.29712	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	605.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74740	0.5
55.01761	2.6
57.03328	3.8
58.00436	0.8
59.01250	29.4
66.50648	0.5
67.79642	0.5
69.03301	1.0
70.60496	0.7
70.60858	1.4
71.01250	30.9
72.01572	0.7
72.99174	1.7
73.02816	14.7
75.00735	0.8
77.22762	0.6
78.09966	0.5
78.95764	0.8
81.03315	1.1
83.01257	9.9
85.02821	17.3
87.00774	2.6
87.26073	0.6
89.02316	5.3
95.01268	2.8
96.95855	1.1
97.02819	1.8
99.00751	4.5
101.02322	31.1
102.02673	0.7
103.03885	2.2
108.34925	0.5
113.02329	12.1
115.03900	0.5
119.03381	1.4
119.04919	0.9
121.02818	0.5
123.00748	0.6
125.02362	3.3
129.01794	0.6
135.04388	0.8
136.40436	0.5
139.65166	0.5
142.19293	0.6
143.03387	2.4
145.02802	0.5
145.04987	1.1
151.00247	0.7
151.03957	0.6
159.02872	2.4
161.03189	1.0
161.04454	14.7
163.06000	2.6
169.95067	0.5
179.03424	0.6
181.05167	0.6
202.30081	0.5
229.07091	0.8
237.18384	0.5
241.13905	0.5
247.08224	1.7
307.10291	1.0
399.23840	26.5
400.24231	2.1
446.47641	0.6
545.29639	100.0
546.29980	15.7
605.25177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69812	0.2
59.25444	0.3
67.59496	0.2
70.58510	0.2
70.58845	0.9
78.95780	0.4
106.06509	0.5
124.59760	0.3
149.37079	0.3
209.11473	0.2
210.51572	0.3
262.50238	0.2
415.15494	1.0
416.16202	0.5
428.16229	0.4
429.17139	0.9
430.17816	1.3
442.17529	0.4
443.18933	0.8
444.19073	0.4
456.15643	0.6
457.20758	1.8
458.20627	0.4
459.17719	3.1
460.18494	0.3
461.23642	0.6
470.20975	0.9
471.17960	1.8
472.19064	0.7
473.19785	4.1
474.20425	1.2
475.21579	0.3
485.19385	1.4
485.23636	1.5
486.20682	4.5
487.21738	1.2
496.19196	0.7
498.06134	0.3
499.17651	2.3
500.17667	0.5
501.23956	3.1
502.19080	0.3
502.23648	0.4
503.21265	0.5
504.18460	0.3
511.21301	2.7
512.21857	0.5
513.19330	3.0
514.20062	9.4
515.20392	1.9
517.18695	0.6
518.19446	1.9
527.21014	0.4
528.21216	0.7
529.22412	100.0
530.22729	18.9
530.31274	0.4
532.21216	1.5
533.21588	1.6
561.24866	0.6
568.49573	0.9
573.21661	1.0
605.24017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51346	0.4
55.24211	0.4
59.01231	0.6
65.00195	0.6
70.72294	0.7
70.72637	0.6
71.01244	0.6
72.99169	0.5
77.03818	1.1
79.01749	2.6
85.02742	0.5
93.03331	0.6
96.95891	0.7
97.02818	1.1
103.15665	0.4
107.04893	1.3
108.02029	0.9
109.02814	1.6
121.02839	7.5
123.04399	1.0
125.02325	1.0
133.02812	0.7
135.04463	0.6
136.81717	0.4
137.02328	0.5
139.03891	0.6
145.02867	0.6
145.08707	0.4
149.02333	1.8
150.02992	0.5
151.00255	0.8
165.01843	12.3
165.05475	0.8
166.02176	0.4
169.01312	0.8
177.01863	2.2
183.02837	0.8
184.86775	0.5
193.01328	5.2
205.01395	0.6
213.05453	0.5
225.05615	0.6
240.04207	1.0
241.05028	2.4
241.96089	0.4
257.04504	4.7
259.06168	1.0
268.03699	1.5
269.04523	12.6
270.04977	1.1
271.02353	1.0
285.04037	23.7
286.04477	2.5
287.05551	0.6
297.03986	1.2
298.04721	0.5
299.05591	1.3
301.03391	0.9
313.03580	1.6
314.04306	64.5
315.05060	69.2
316.05374	5.1
398.99930	0.7
437.30716	0.5
459.09299	1.0
461.10873	100.0
462.11276	11.2
487.12628	0.8
605.15967	1.8
606.16663	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.0
69.03323	2.6
71.01259	3.0
71.37959	1.7
81.03338	1.3
83.01257	2.5
85.02821	1.8
87.00712	1.4
95.01249	3.8
96.95881	3.3
97.02831	2.2
101.02306	2.9
107.01250	11.5
109.02811	1.5
111.00727	2.4
113.02316	1.9
123.00764	14.8
123.04424	1.5
124.01566	13.6
125.02335	63.2
126.02683	2.4
127.00249	1.6
131.07034	1.6
136.98703	2.0
137.02319	2.8
138.59064	1.0
139.00273	6.9
139.03902	3.8
140.01050	4.1
141.01797	2.0
144.70088	1.1
145.02856	1.6
151.00287	8.1
151.03941	1.4
153.01839	1.2
155.84183	1.2
166.99754	3.5
168.00522	12.1
169.01332	72.7
170.01590	2.7
173.08116	1.4
179.03476	1.4
183.02905	5.2
199.57977	1.2
200.64769	1.2
203.07213	1.3
237.03912	2.9
279.05115	1.6
285.05914	1.1
289.07251	2.0
313.05640	11.4
327.07169	1.6
435.09741	1.7
453.10312	25.4
454.10745	2.6
605.11462	100.0
606.11780	14.8
627.01233	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	603.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32964	2.2
59.01249	44.3
61.98680	5.6
70.70017	7.9
71.01237	2.8
78.95782	4.7
83.04902	4.2
89.02343	2.9
96.95863	4.1
109.02863	4.5
125.02295	3.8
143.27315	2.6
171.10162	16.5
209.11754	100.0
210.12111	5.7
211.13272	3.8
212.13675	6.3
213.13797	2.7
223.13475	2.5
227.12820	11.9
289.07242	3.2
291.07635	2.9
315.26620	3.1
369.23145	2.5
381.34479	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	603.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03308	1.4
59.01247	11.1
61.98702	1.0
63.21640	0.8
67.01752	1.4
68.99659	1.0
69.03333	1.0
71.01244	8.2
71.57992	0.8
71.58541	1.2
72.85538	0.7
72.99171	1.3
73.02814	3.3
78.95784	1.7
79.01768	1.1
83.01268	2.3
85.02833	3.8
87.00725	1.0
89.02313	3.2
94.76221	0.9
95.01260	3.2
96.95894	7.7
96.96858	1.3
97.02841	1.1
99.00780	1.1
101.02333	5.8
107.01278	6.6
109.02848	2.0
111.00716	1.9
113.02320	3.5
116.61435	0.8
119.03371	0.9
119.04897	0.8
123.00772	22.0
124.01569	1.1
125.02335	23.8
127.00242	1.4
135.04446	1.3
136.98703	1.3
137.02296	1.1
139.00247	4.4
139.03929	0.9
140.01047	3.8
141.01831	2.9
151.00272	12.5
151.03905	1.1
152.99387	0.9
161.02347	1.3
161.04517	2.0
163.03879	2.5
166.02571	0.9
166.15787	0.8
168.00531	3.2
169.01331	26.8
170.01538	0.9
179.03400	1.2
181.04832	1.0
195.06625	1.2
201.88171	1.0
211.02396	1.9
211.13393	0.8
271.04480	1.4
289.07123	2.2
311.05811	1.1
313.05698	1.6
348.32364	0.8
349.00195	0.8
397.22311	1.3
400.95316	0.9
518.97925	0.8
543.28162	8.9
544.28607	1.0
603.30188	100.0
604.30597	17.0
604.40277	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88028	0.9
55.01752	2.3
57.03316	2.6
57.98599	1.0
58.00462	2.2
58.03976	1.0
59.01250	53.2
61.51670	1.0
64.81022	1.0
69.03325	1.5
70.61074	3.5
71.01252	53.3
72.99178	3.4
73.02814	20.6
75.00731	1.6
75.54863	1.0
78.95765	3.1
79.95614	1.2
83.01262	11.0
84.02030	1.0
85.02824	22.4
85.73539	1.0
87.00746	4.0
87.04391	1.7
89.02312	19.9
91.93851	0.9
95.01255	2.8
96.95893	37.1
96.96801	5.7
97.02821	3.8
99.00745	4.2
101.02321	44.0
103.03883	8.0
113.02328	17.8
115.03906	1.7
119.03407	7.1
125.02341	9.3
127.03886	1.6
131.03387	3.3
143.03387	6.4
145.04907	2.1
152.19913	1.2
154.99919	1.1
157.08678	1.8
159.02869	2.3
161.02391	1.4
161.04463	15.6
163.06033	20.3
165.01889	2.1
169.01346	1.7
171.10133	3.7
172.10721	1.2
205.07115	5.4
208.63759	1.0
229.07092	1.3
235.16946	4.4
247.08215	1.7
307.10291	3.1
379.03766	1.3
397.17328	1.9
397.22318	26.1
398.22879	2.9
543.28088	100.0
544.28418	16.5
603.28375	4.3
630.48065	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30498	1.6
56.52766	1.5
58.00458	1.7
59.01249	56.0
59.98384	2.0
61.98696	3.5
67.41827	1.6
69.03345	2.5
71.01253	22.6
72.46809	1.6
72.99185	1.8
73.02811	11.6
78.95757	2.0
83.01287	1.6
84.94073	1.6
85.02824	7.4
87.00743	2.4
89.02305	15.0
96.21191	1.5
98.19673	3.1
99.04389	4.3
101.02319	28.1
103.03867	14.0
106.46754	2.0
115.03830	2.1
119.03378	8.0
125.02331	14.6
127.03810	2.7
131.03384	2.1
143.03407	3.0
145.04977	3.2
161.02345	1.9
163.06030	22.1
165.12764	1.9
171.10085	9.5
172.10504	3.6
179.08405	1.5
195.16606	1.5
205.07076	4.4
211.13370	9.4
212.13734	5.8
213.13899	3.0
231.24826	1.7
235.16985	100.0
236.17270	6.0
247.08229	2.5
253.09283	3.1
307.10352	12.1
307.13287	2.0
307.19122	8.2
329.40387	1.7
445.20602	3.0
543.28271	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.0
59.01250	56.6
59.66465	1.8
61.33457	1.8
62.32043	1.6
63.71257	1.9
68.53110	1.6
70.87715	5.0
71.01250	12.3
73.02827	1.8
78.95758	2.7
81.03320	3.1
83.01254	3.3
83.04886	4.0
85.02817	3.3
86.87892	1.7
89.02318	8.2
97.02849	3.8
97.06475	5.7
101.02328	12.5
113.02315	5.4
119.03429	2.6
123.04412	5.4
125.09607	5.8
129.37869	1.8
137.02327	2.0
137.09616	6.9
148.49414	1.8
161.04478	4.6
163.11217	10.8
165.12764	4.0
171.10173	8.0
172.10506	2.3
181.12376	2.0
185.11780	8.5
186.12224	2.2
191.10680	1.8
191.14331	9.4
200.33162	1.9
207.10101	3.0
209.11763	54.3
210.12054	3.4
211.13286	6.2
223.13449	1.9
225.11240	4.8
235.08130	2.0
237.11275	6.4
245.19067	19.5
253.09250	46.0
263.20105	5.9
271.16974	4.2
289.18082	100.0
290.07498	2.4
290.18588	8.7
307.19144	99.2
308.19470	10.7
331.83383	1.9
396.63779	1.9
513.02917	2.0
535.38403	2.1
543.28156	3.3
550.11591	2.1
590.77911	2.5
627.61304	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54168	2.8
57.03304	4.5
59.01247	71.4
61.98693	5.7
69.03299	3.1
70.59917	10.0
71.01244	22.4
76.18508	2.6
78.34785	2.8
78.95782	6.8
81.03326	4.4
83.04877	2.9
85.02831	6.6
87.00718	3.3
89.02312	14.0
95.04944	3.8
97.06467	13.7
98.20544	3.3
101.02333	16.4
111.08083	4.4
111.40516	2.9
113.02335	6.6
125.02348	9.5
151.11174	9.5
155.10620	3.9
157.08707	3.2
161.04500	4.4
165.12756	14.2
169.12247	4.4
171.10188	21.8
172.10503	8.3
173.10764	3.3
179.10608	5.8
181.12225	10.4
183.13821	6.6
191.10750	6.2
191.14343	4.6
209.11758	46.3
211.13370	21.0
212.13666	8.0
213.13907	4.4
223.13390	3.6
227.12785	17.1
235.16942	3.4
245.19136	15.4
253.09224	34.8
263.20047	22.7
279.19632	3.7
289.18060	24.1
290.18332	4.7
307.19141	100.0
308.19617	7.4
445.21030	19.8
481.96509	3.1
543.28058	11.8
553.22089	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	603.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	2.1
61.98697	2.1
71.01279	2.5
71.58350	3.1
78.95779	3.6
80.13328	1.6
93.03355	5.2
95.46616	1.5
96.95894	5.5
101.02331	1.6
108.01970	1.7
108.78789	1.7
109.02840	2.4
111.00683	1.6
121.02827	17.0
122.03635	14.3
125.02330	7.3
133.02873	1.7
135.04390	2.5
136.01553	2.3
137.02324	5.3
149.02333	36.5
150.03131	92.7
151.00296	2.3
151.03654	2.9
161.02426	1.9
164.04677	9.7
165.01828	19.8
165.05481	100.0
166.06262	60.5
167.06754	3.0
167.93317	1.4
169.01332	6.6
177.01900	2.5
179.03433	12.2
179.07056	2.4
180.04202	18.3
181.04900	1.9
181.08623	34.9
181.10205	2.2
194.05833	4.4
195.06557	97.1
196.06883	6.1
210.05269	2.2
217.01485	1.5
225.07631	9.0
255.02913	3.4
271.02545	2.9
271.06204	2.0
283.02420	3.1
300.02618	4.0
301.03622	3.6
301.10831	1.9
323.05649	2.1
329.10162	9.5
330.30328	1.6
341.06494	1.7
343.11884	5.0
344.12552	12.1
359.15012	41.7
360.15683	3.4
373.12866	52.0
374.13074	6.8
407.17004	3.7
421.14905	11.5
447.09317	6.7
451.10498	2.2
555.22180	15.6
556.22583	2.5
603.13306	3.2
615.92865	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	603.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49069	0.5
56.63663	0.6
59.01249	1.0
65.00201	0.7
68.64862	0.5
71.01285	0.8
78.50831	0.6
78.95771	0.7
79.65397	0.5
85.18018	0.6
87.00797	0.6
91.99726	0.6
93.03330	3.0
96.95913	1.6
105.03387	0.5
107.01275	4.2
108.01584	1.3
109.39749	0.6
119.04915	1.1
121.02837	8.6
122.03627	14.0
123.00792	0.7
124.01593	0.9
125.02357	3.6
127.30750	0.6
133.02840	2.2
135.04436	4.6
136.01552	1.8
136.04723	1.6
137.02367	2.7
149.02344	23.0
150.03128	89.1
151.00282	3.4
151.03494	3.2
152.00778	0.7
152.99538	0.8
153.05565	0.7
163.03925	1.2
164.01006	1.2
164.04736	4.7
165.01830	7.6
165.05482	100.0
166.06239	13.5
167.06956	1.7
169.01363	1.5
177.01797	0.9
178.02219	0.6
179.03447	6.2
180.04190	10.8
181.05013	7.3
181.08611	8.7
182.05693	0.8
194.05795	1.9
194.99365	3.8
195.06555	98.9
195.99643	2.2
196.07153	7.3
196.99763	1.4
197.08160	1.3
211.09711	5.1
225.07654	6.0
229.70239	0.7
255.02882	0.8
259.31949	0.6
269.07947	0.8
283.02493	1.4
283.05634	0.6
285.07767	0.8
287.05740	0.7
299.08804	0.8
301.10901	1.2
329.10275	7.9
330.10693	0.7
341.04025	1.7
341.13159	0.6
343.11795	7.3
344.12604	7.4
345.13028	1.0
359.14990	34.2
360.15445	2.8
373.12817	3.3
391.14105	0.8
407.17236	3.0
421.14993	2.1
451.11090	1.1
475.08441	0.9
476.09320	1.9
477.09320	7.0
555.22290	5.5
603.12482	5.5
604.13519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.6
55.85923	0.4
57.03341	0.6
59.01247	4.0
59.38201	0.4
61.98695	0.6
62.49250	0.4
64.07578	0.4
67.01740	1.1
69.03298	0.5
71.01251	4.7
72.99171	1.1
73.02804	1.2
73.25787	0.5
75.00745	0.6
79.01753	1.6
83.01228	1.0
85.02815	2.8
87.00732	0.8
89.02332	0.9
93.73057	0.4
94.97920	0.7
95.01276	2.4
96.95875	2.7
96.96865	0.5
97.02828	1.0
99.00729	0.7
99.13892	0.4
101.02319	2.9
107.01261	4.0
109.02812	0.9
111.00774	2.4
113.02314	1.9
119.04914	0.7
120.99519	1.2
122.89352	0.5
123.00758	16.4
123.04383	0.4
124.01529	1.4
125.02324	16.7
125.03230	0.9
127.00237	0.9
136.98738	0.9
137.02336	0.6
139.00287	3.4
140.01050	3.7
141.01799	2.1
145.02879	0.6
151.00276	9.1
151.03940	0.5
153.01817	0.9
168.00523	2.3
168.99940	0.9
169.01324	14.4
170.01685	0.8
171.10194	2.5
191.03261	0.5
192.83669	0.4
209.11810	0.9
211.02434	1.2
211.13339	1.7
214.39206	0.4
269.20987	0.6
271.04611	0.5
287.22253	15.8
288.22708	1.0
289.06638	0.5
313.05582	1.1
364.40891	0.4
431.26395	3.9
432.26703	0.7
449.27502	39.1
450.27890	4.9
465.66324	0.5
490.93924	0.4
504.79755	0.5
583.27795	2.5
601.28613	100.0
602.28943	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	601.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65004	0.6
59.01251	4.9
67.01772	0.9
69.03320	1.1
71.01250	6.5
72.99179	2.4
73.02814	0.9
79.01780	1.1
83.01247	1.9
85.02832	1.9
87.00739	1.5
89.02321	0.8
95.01266	1.9
96.95879	5.0
98.20579	1.1
101.02303	3.1
107.01257	6.5
109.02796	0.8
111.00771	2.8
113.02323	1.8
121.02839	1.0
123.00771	14.9
123.04382	1.1
124.01579	1.1
125.02330	38.4
126.02612	1.0
127.00208	0.7
127.11222	0.6
136.12967	0.6
136.98695	1.3
139.00253	3.9
140.01054	3.7
141.01820	2.3
145.02837	1.2
151.00272	9.4
153.01784	0.8
159.22607	0.7
163.03932	0.8
165.01881	1.2
168.00520	5.0
169.01329	53.1
170.01677	2.2
171.10135	3.4
211.02391	8.4
211.13412	3.1
241.03516	2.2
253.03482	0.8
271.04599	7.4
272.04755	0.8
287.22247	11.9
313.05649	21.5
431.26324	3.6
449.27542	33.2
450.27759	2.6
479.55518	0.6
511.05103	0.6
583.27545	2.2
601.28644	100.0
602.29089	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	601.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97445	0.7
57.03329	2.3
59.01268	2.4
61.98691	0.9
69.03323	1.0
70.92152	1.4
71.01270	1.4
72.99190	1.1
81.03358	2.0
83.01260	7.1
85.02827	1.0
89.02319	0.9
93.03342	7.5
95.01228	1.8
95.04920	2.5
96.95864	3.6
97.02833	7.1
103.00328	0.9
107.04951	1.2
108.02059	1.6
109.02830	21.4
110.03167	0.9
117.03392	1.0
119.04914	10.2
120.11014	0.8
121.02858	6.2
122.03625	2.8
123.04403	17.5
124.01546	0.9
125.02338	16.6
126.02643	0.7
131.04898	0.9
133.02852	1.6
135.04420	2.8
137.02335	14.6
137.03313	1.2
139.03903	5.2
143.04941	0.8
145.02859	2.1
145.06485	1.8
146.03668	1.8
147.04451	1.2
149.02332	9.0
150.03149	1.9
151.03915	14.0
152.04633	0.8
159.04407	3.8
160.05249	1.5
161.02344	7.5
161.05986	6.3
162.03177	2.2
163.03914	4.5
164.01091	3.4
165.01836	8.8
166.06293	1.0
167.03433	1.7
169.01320	0.9
169.06497	1.7
171.04573	1.2
171.10201	7.7
173.06006	0.9
174.03206	1.6
175.03970	4.6
175.07584	1.7
177.05499	1.9
179.03400	6.2
181.08617	0.8
185.05994	1.6
187.03923	4.5
188.04756	4.0
189.01866	2.0
191.03438	0.8
201.05569	1.4
202.06268	2.1
203.03416	2.2
203.07068	11.1
204.04291	1.8
205.04977	10.6
211.13324	7.0
213.05469	2.0
215.07137	1.5
216.07800	1.7
217.08714	1.3
219.06564	3.1
221.08145	2.1
227.07069	2.8
229.05084	1.8
231.03033	1.6
231.10265	2.7
238.73380	0.9
239.06938	0.9
245.08171	15.0
247.06023	4.3
247.09601	0.7
253.08980	1.3
255.06589	5.2
256.07373	1.3
257.08173	2.9
267.06607	3.3
271.06161	1.0
281.04868	1.4
281.08154	16.6
282.08755	1.1
283.06171	1.2
284.06708	1.8
289.07169	100.0
290.07458	10.0
294.05099	0.8
295.06082	1.4
296.07193	0.8
296.10587	2.4
297.07715	1.6
297.11151	0.9
299.74313	0.8
301.11044	0.8
311.12839	16.4
312.13199	1.3
313.07141	1.2
323.09229	1.7
325.07147	1.3
419.11343	38.4
420.11731	4.2
437.15823	1.5
449.12497	3.7
450.12134	0.8
463.13931	4.0
481.15088	7.5
482.14709	1.0
512.25171	0.9
557.21930	0.9
601.20587	26.4
601.28430	2.0
602.21191	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	601.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15549	0.6
51.58440	0.5
53.02149	0.5
55.36497	0.6
56.16117	0.7
57.03329	2.3
58.56144	0.6
59.01268	1.5
59.94678	0.6
61.98724	0.9
68.68783	0.7
69.03333	1.4
70.72865	2.0
71.01248	1.2
81.03345	2.0
83.01260	6.0
93.03320	8.4
95.01254	1.5
95.04927	2.5
95.75832	0.7
96.95910	1.9
97.02831	8.0
107.04939	0.9
108.02048	1.5
109.02834	23.7
110.03207	0.7
116.98473	0.7
117.03351	1.7
119.04914	10.5
121.02829	5.6
122.03625	2.1
123.00775	1.1
123.04404	17.3
125.02335	15.5
133.02867	0.7
135.04414	2.2
137.01289	0.4
137.02325	13.7
137.03308	1.1
139.03911	4.6
143.04958	1.1
145.02847	2.0
145.06506	1.5
146.03604	3.0
147.04372	0.9
149.02350	8.7
150.03082	1.1
151.03914	15.8
157.06395	0.7
159.04414	3.7
160.05284	1.2
161.02322	6.6
161.05997	6.4
162.03130	2.4
163.03885	4.3
164.01100	4.1
165.01845	8.7
166.06198	0.8
167.03481	1.6
167.06941	0.8
169.06473	1.6
171.10181	13.4
172.10571	1.2
173.06041	1.6
174.03036	0.7
175.03883	5.0
175.07590	2.3
177.01819	1.6
177.05545	1.8
179.03416	5.7
181.08595	0.9
185.05957	1.7
186.06645	0.8
187.03955	5.2
188.04738	3.7
189.01816	1.7
190.06297	0.8
191.03389	1.0
199.07547	1.1
201.05481	2.5
202.06316	1.6
203.03415	2.2
203.07088	13.0
204.04254	1.5
205.04990	11.6
206.05400	0.7
209.06030	0.6
209.11742	1.4
210.12125	1.3
211.13342	9.7
213.05492	1.4
215.07016	1.1
216.07843	2.1
217.08633	1.6
219.06609	2.1
221.02832	0.6
221.08138	2.6
227.07065	2.7
229.04985	1.1
230.05853	0.8
231.02910	1.0
231.10243	2.9
239.07106	1.2
243.06525	0.9
245.08156	15.9
246.08530	1.3
247.06023	5.2
248.06506	0.7
250.39896	0.6
251.07065	0.8
253.05292	0.7
253.08774	1.4
255.06584	4.2
257.08231	2.4
267.06567	3.0
269.08450	1.3
271.06152	1.1
281.05057	1.1
281.08179	17.1
282.08618	2.2
283.06100	2.0
288.06451	1.1
289.07172	100.0
290.07516	6.5
295.06180	2.1
295.09589	0.8
296.07059	1.4
296.10544	2.4
298.08646	0.7
311.09314	0.6
311.12836	15.1
312.13293	1.2
313.07208	1.4
325.07129	1.0
333.11307	1.1
338.11575	0.7
419.11337	39.4
420.11578	4.7
437.15863	1.4
449.12338	3.8
451.17538	1.7
463.13870	2.5
464.14359	0.7
477.15231	0.8
481.14865	5.7
555.11755	0.8
557.21765	1.4
601.20721	24.3
601.30072	1.6
602.21490	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	601.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22828	1.5
57.03325	8.9
61.43881	1.4
64.87295	1.4
64.94180	1.4
65.00188	3.3
69.23913	6.4
69.24339	9.8
71.01234	2.3
80.87960	1.4
83.01254	5.1
93.03338	4.8
95.01241	2.3
107.01273	7.0
107.04897	2.6
109.02762	1.3
109.66960	1.4
117.03364	4.3
123.00761	7.3
123.04388	2.9
125.02337	78.4
133.02861	3.3
137.02374	2.7
149.02353	6.9
150.03091	3.8
151.00259	27.2
152.00992	4.6
152.03595	1.4
153.01833	5.3
155.04932	1.8
159.04462	2.6
159.91547	1.3
163.00372	2.2
165.01880	2.7
165.05537	2.8
169.01335	14.2
169.06548	1.4
172.05190	2.2
173.06004	3.3
176.01064	4.5
177.01909	2.0
177.05550	2.3
177.54630	1.3
178.99799	10.7
179.03494	2.7
181.05026	4.2
183.04413	2.2
195.06549	2.6
197.06023	2.4
199.03838	1.9
199.07526	2.4
200.04622	1.5
201.05501	10.2
203.03369	2.8
211.03935	2.9
213.05325	1.8
215.07088	7.6
225.05452	4.0
227.03505	2.1
241.05020	5.4
243.06619	15.8
255.02971	39.6
256.03262	6.8
257.03571	2.2
259.06097	56.3
260.06396	3.8
268.03714	4.3
269.04535	98.6
270.04898	6.9
283.02466	100.0
284.03006	18.7
285.03400	9.5
287.05634	21.4
313.05695	6.1
411.07230	2.7
416.07416	12.9
417.08258	7.0
418.08417	2.1
421.05664	12.5
423.33530	1.8
431.09769	9.5
439.06689	93.4
440.07028	10.0
447.09778	2.6
449.10889	15.0
539.21472	9.9
557.13416	3.6
563.14038	96.6
564.14532	12.5
565.14514	16.4
566.14600	2.0
583.10870	11.7
601.11981	46.9
601.22650	2.5
602.12634	5.7
623.67108	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	601.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	6.7
59.01247	1.1
65.00182	3.9
65.45589	0.9
67.01740	1.0
69.03316	1.1
70.89156	3.1
71.01246	4.8
81.03304	2.7
83.01243	6.2
93.03303	2.5
95.01279	1.4
96.38209	1.0
97.02845	1.6
101.02377	1.1
107.01264	12.2
109.02815	1.3
111.00751	2.8
113.02339	1.6
117.03350	2.0
117.92145	1.0
123.00758	6.7
124.01563	2.8
125.02328	100.0
126.02673	2.1
131.04926	1.3
133.02831	0.9
137.02321	1.5
139.00233	3.0
140.01045	2.0
145.21259	1.2
149.02313	2.2
151.00273	16.5
152.00993	3.4
153.01851	6.5
157.06464	1.4
158.03619	1.4
159.04436	1.2
163.00272	2.5
167.03400	1.3
168.00539	4.5
169.01329	57.7
169.06435	2.0
170.01694	2.6
173.06018	4.6
176.01077	3.8
177.05498	2.1
178.99739	7.9
181.06500	1.5
197.06015	3.0
199.03935	2.0
199.07683	1.1
201.05461	4.2
211.02403	8.7
213.05534	1.6
215.07040	3.6
225.05492	3.5
235.32370	1.0
241.05171	2.3
243.06577	3.4
259.06073	20.0
260.06442	1.4
260.97870	1.0
268.03793	1.2
269.04532	62.6
270.04959	3.7
271.04590	12.1
287.05701	7.1
301.07123	1.3
302.00543	1.1
313.05612	25.2
314.05771	2.5
331.06546	1.1
439.08795	6.3
439.14084	1.1
583.10834	17.3
584.11279	1.6
601.11932	97.9
602.12256	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	601.1194
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
50.94041	0.7
57.03320	5.7
57.34995	0.7
59.01255	1.1
60.46384	0.6
63.16969	0.7
65.00187	5.8
65.38824	0.6
69.99026	1.1
69.99373	3.3
71.01237	2.0
74.61052	0.7
74.88143	0.7
83.01257	2.4
85.09368	0.6
88.36841	0.6
88.85351	0.7
93.03364	1.2
95.01241	0.7
96.95872	1.3
101.02309	0.8
107.01263	86.0
108.01601	3.0
109.02824	7.4
111.00790	1.1
113.05921	0.7
122.03661	0.8
123.00749	4.5
125.02330	47.1
125.90409	0.6
126.02719	1.4
133.02895	3.4
135.00833	1.1
135.04408	65.2
136.04749	3.0
139.00255	1.8
149.02325	1.5
150.03114	5.2
151.00266	45.2
152.00627	1.4
159.04390	2.2
161.02354	7.2
165.01845	3.0
165.05487	4.7
166.02553	1.3
166.99728	0.9
168.00496	1.3
169.01340	33.2
170.01648	0.9
177.01860	11.2
179.03392	0.7
180.04166	0.8
181.04953	1.6
190.24377	0.8
194.99278	90.7
195.06459	4.3
195.80188	0.7
195.99597	3.6
201.05495	1.0
202.22871	0.7
205.01341	1.2
209.00813	0.9
218.99199	1.2
221.00865	0.9
237.00293	2.3
239.81094	0.7
243.06606	5.5
260.49396	0.7
267.01419	0.8
269.04398	0.8
280.66580	0.6
287.05640	9.8
288.06049	1.0
297.09763	0.9
313.05634	23.7
314.05972	1.4
327.12146	0.7
339.03549	30.2
340.03851	2.5
357.13449	1.4
375.14697	0.9
387.14667	1.1
423.09055	5.1
449.10852	20.2
450.11356	1.6
467.19733	0.8
475.08783	100.0
476.09137	13.8
513.27521	0.8
527.07318	0.7
601.11914	53.7
602.12305	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	601.1196
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
57.03316	8.0
59.01229	1.1
63.02272	1.3
63.84880	1.0
65.00185	2.4
67.01748	1.3
69.03333	1.5
70.89104	3.0
71.01240	2.8
81.03329	2.9
83.01279	4.9
89.95256	1.0
93.03339	2.0
94.52152	0.9
95.01267	1.7
95.15062	1.1
97.02792	1.1
97.69727	0.9
107.01257	10.4
109.02805	1.7
111.00795	1.7
120.15644	1.0
123.00772	8.7
123.04389	1.7
124.01520	3.1
125.02333	100.0
126.02685	3.0
129.98415	1.1
131.04926	1.2
133.02853	1.8
139.00256	2.3
140.01019	2.8
151.00285	12.9
152.01047	3.0
153.01834	11.9
163.00296	3.0
165.01820	2.0
166.99760	2.3
167.03355	2.1
168.00545	6.8
169.01331	62.2
170.01683	2.3
172.05203	1.8
173.05981	7.5
175.03789	2.1
176.01056	6.5
177.05437	2.9
178.99779	4.5
181.01318	1.7
199.07625	2.5
201.05518	3.8
211.02420	11.6
214.21664	1.1
215.07083	7.7
225.05536	1.6
241.03319	2.0
243.06566	4.7
259.06073	38.8
260.06357	2.8
264.06659	1.5
268.03735	3.4
269.04526	29.8
270.04758	2.7
271.04550	7.2
283.06076	3.7
287.05579	17.6
311.05847	1.4
312.04843	2.3
313.05627	42.6
314.05991	2.9
402.93826	1.1
420.47260	1.2
439.08707	10.5
466.07507	9.9
467.07910	1.9
471.34818	1.1
494.06985	1.4
573.12476	31.6
574.12756	5.8
583.10901	75.6
584.11273	10.8
601.11920	81.1
602.12250	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	599.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09019	1.6
53.59108	1.3
59.01248	100.0
67.49185	1.4
69.96402	1.6
71.57005	2.2
83.04901	1.9
100.38054	1.7
108.53923	1.5
129.69858	1.7
141.04100	1.4
163.11211	2.0
171.10194	18.9
195.13890	1.9
205.12254	2.3
209.11757	47.8
210.12073	2.6
223.13347	46.4
224.13730	3.5
227.12888	8.4
261.15027	2.9
322.25027	1.5
489.28647	2.2
507.29932	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	601.1189
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
50.01075	1.7
57.03323	8.9
62.70630	1.5
65.00194	3.2
69.26748	17.9
69.27132	4.0
72.99181	1.9
81.03333	4.3
83.01260	5.5
93.03338	5.0
96.95925	2.0
97.85870	1.5
98.19810	2.9
104.84312	1.7
107.01268	7.1
109.02818	3.4
117.03321	5.7
123.00764	7.3
123.04371	3.1
125.02335	85.9
126.02629	2.4
127.77006	1.9
133.02794	4.5
135.04407	4.0
147.40028	1.6
149.02344	6.8
150.03149	4.4
151.00255	27.5
152.01047	7.5
153.01842	5.5
155.21199	1.5
165.01889	3.7
165.05443	3.0
169.01312	13.5
172.05276	1.8
173.05898	8.3
176.01028	6.7
177.01920	2.6
177.05423	3.8
178.99794	14.4
179.03415	2.1
181.04910	3.1
181.06429	2.4
197.06163	2.8
199.03853	2.7
200.04733	2.3
201.05557	8.1
203.03447	2.4
215.07138	6.2
225.05489	3.3
226.87430	2.1
241.05087	6.2
243.06564	14.9
255.02943	25.1
256.03394	2.3
259.06091	55.4
260.06409	3.4
268.03650	4.4
269.04538	100.0
270.04935	5.9
283.02469	63.7
283.05594	3.8
284.02875	11.8
285.03632	6.9
287.05646	25.6
313.05588	4.5
327.12170	2.4
345.77036	2.2
411.06754	3.4
416.07364	7.1
417.08221	3.4
421.05734	14.2
424.28729	2.2
431.09860	6.3
439.06674	96.3
440.06693	11.1
449.10815	13.4
450.10989	2.3
515.11932	2.2
557.12488	3.7
563.14050	56.3
564.14313	7.0
565.14642	10.9
583.10864	17.1
601.11890	54.6
602.12543	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	599.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09588	0.4
55.01744	0.5
59.01245	2.7
59.91256	0.3
67.01745	1.6
69.03319	0.7
69.08642	0.3
69.47322	0.9
69.47726	2.7
71.01250	3.6
72.99187	0.8
73.02808	0.8
75.00736	1.4
76.70168	0.3
79.01743	1.7
81.38213	0.4
83.01244	1.7
85.02820	1.4
85.99971	0.5
87.00769	0.7
89.02305	0.5
95.01263	3.1
96.95900	1.2
96.99241	0.3
97.02821	1.0
99.00772	0.7
101.02343	2.0
107.01266	5.9
109.02834	0.6
110.00028	0.4
111.00759	3.5
113.02332	1.3
119.04869	0.4
119.53324	0.3
121.02884	0.5
121.11104	0.3
123.00763	21.9
123.04435	0.5
124.01515	1.5
125.02337	23.7
127.00259	1.3
135.04395	0.4
136.98750	1.7
137.02309	0.7
139.00269	6.0
139.01331	0.5
140.01065	6.0
141.01849	3.6
150.03119	0.8
151.00275	14.5
151.03824	0.3
152.00641	0.4
153.01845	1.8
163.03902	1.1
165.01801	0.6
165.05492	0.6
166.02609	0.3
166.99745	0.5
167.03308	0.3
168.00563	4.9
169.01340	27.0
170.01646	0.6
171.10188	0.5
179.03426	0.5
181.04997	0.9
209.11838	0.6
211.02432	1.5
271.04721	0.4
285.20828	0.9
301.03442	1.5
313.05673	1.4
437.10339	0.7
447.09003	0.6
447.25940	4.6
599.27057	100.0
600.27386	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	599.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20809	0.3
54.78329	0.3
55.01763	0.4
57.03329	0.5
59.01252	2.9
59.27862	0.4
62.60996	0.3
65.00184	0.3
67.01766	1.6
68.99674	0.4
69.03297	0.5
69.61095	1.7
71.01260	3.4
72.99168	1.0
73.02837	0.7
79.01778	1.5
83.01241	1.6
83.04857	0.3
85.02843	1.7
87.00734	0.8
89.02319	0.7
95.01266	2.5
96.95908	0.4
97.02843	1.2
99.00751	0.7
101.02323	2.2
107.01263	5.8
107.04892	0.4
109.99953	0.4
111.00775	2.6
113.02325	1.4
119.04917	0.5
123.00764	19.9
124.01525	1.2
125.02332	24.0
126.02637	0.5
127.00259	1.1
135.04372	0.6
136.98691	1.8
137.02281	0.4
139.00266	5.5
140.01056	3.8
141.01862	3.3
144.99481	0.3
151.00272	12.2
151.01506	0.6
151.03900	0.3
152.00679	0.4
153.01823	1.2
165.01820	0.3
168.00522	3.2
169.01338	25.5
170.01668	0.5
171.10176	9.5
172.10542	0.3
179.03415	0.5
181.04919	0.7
191.03381	0.4
193.04843	0.4
195.02850	0.3
209.04477	0.5
209.11761	8.0
211.02422	1.5
223.02206	0.3
235.08148	0.4
239.20113	0.4
242.41850	0.3
253.09145	0.4
271.04602	1.0
285.20685	1.0
313.05627	1.7
317.02621	0.3
359.55383	0.3
363.21802	0.6
447.25742	1.4
599.27045	100.0
600.27405	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	599.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54633	0.8
51.13749	0.9
56.64145	0.8
59.01249	84.2
70.86933	2.1
70.87297	1.0
71.01233	0.9
93.03363	1.1
116.92788	1.1
117.62654	0.8
121.02819	2.8
122.03607	4.8
125.02258	1.3
144.02080	0.8
149.02328	15.9
150.03117	53.3
151.03413	2.2
164.04716	5.3
165.05475	77.2
166.05913	3.6
180.04166	4.8
181.08629	1.7
195.06555	100.0
196.06911	4.3
285.04123	1.2
314.11569	6.9
329.13922	30.4
329.17645	2.0
330.14340	2.0
340.91788	1.0
377.16010	48.6
378.16229	4.9
385.80197	1.2
447.21155	0.9
578.49750	1.0
599.10205	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76551	1.4
59.01249	77.7
61.54984	1.5
68.01179	1.4
69.24907	17.7
71.01261	1.9
89.93706	1.3
89.99616	1.3
96.95893	1.9
121.02862	2.3
122.03598	2.9
130.49678	1.3
140.36812	1.2
149.02338	58.4
150.03123	18.9
151.03502	2.0
164.04704	13.3
165.01915	1.8
165.05490	18.6
166.06169	2.7
167.01868	1.3
167.07048	3.8
167.60728	1.4
180.04129	2.8
195.06583	18.7
244.48376	1.5
251.38741	1.4
314.11523	20.0
315.11868	2.0
329.13913	100.0
330.14255	8.3
377.16022	48.0
378.16364	5.1
385.29437	1.5
608.37848	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	599.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96462	0.7
59.01248	1.8
61.98721	0.7
65.00185	1.7
66.37442	0.6
69.60648	3.6
69.61066	1.4
71.01241	2.9
72.99185	1.8
77.03835	0.9
79.01752	4.2
83.01262	0.8
84.75726	0.8
85.02808	1.2
93.03342	2.8
95.01276	1.1
95.04927	0.8
96.95868	0.9
97.02814	2.6
98.19759	0.9
101.02291	1.4
107.01274	4.4
111.00729	1.4
113.02327	1.3
119.04056	1.0
119.04905	15.6
120.92496	0.6
121.02837	5.0
123.00758	8.0
125.02336	40.3
139.00264	2.2
139.03857	2.6
140.01033	1.7
141.01782	1.3
143.04915	15.6
144.05203	1.2
145.02824	4.9
151.00304	5.6
161.06018	1.2
163.03906	1.8
165.01848	16.7
168.00543	2.7
169.01335	58.5
170.01682	1.7
171.10170	5.6
179.03423	8.2
183.02823	1.0
185.06036	2.2
191.03445	1.5
194.99217	1.0
197.09695	1.2
199.07527	2.1
209.11787	3.3
211.02411	2.1
217.08627	1.1
241.03406	1.7
241.08685	10.9
253.03551	1.0
285.07678	14.8
286.07913	1.0
313.05646	28.8
314.05695	1.7
447.12921	5.8
459.09445	1.2
501.10333	1.6
555.15076	8.3
556.15643	1.8
599.14020	100.0
600.14441	15.6
600.23981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65953	0.5
55.01770	1.0
56.41341	0.5
59.01250	1.6
65.00194	2.5
67.01762	0.7
69.03323	0.6
69.33722	3.9
69.34141	1.5
71.01255	4.2
71.04884	5.6
72.99172	0.6
73.02814	0.8
77.03838	2.4
78.81269	0.5
79.01762	10.8
83.01253	1.3
85.02816	0.8
93.03333	4.6
95.01228	1.4
95.04880	0.8
96.95878	0.9
97.02827	6.3
98.20540	1.2
101.02311	2.2
107.01277	8.6
108.16348	0.5
109.02814	0.7
111.00773	1.3
113.02334	1.2
117.03345	2.8
119.04910	28.7
120.05250	1.1
121.02843	14.5
123.00766	10.5
124.01532	1.2
125.02333	63.2
126.02669	2.2
126.64240	0.6
127.00224	0.9
135.04433	0.7
136.98727	1.1
137.02338	2.0
139.00272	3.2
139.03905	45.9
140.01039	2.3
140.04231	1.4
141.01848	1.3
145.02843	6.7
149.06023	0.7
151.00267	8.9
151.03868	0.7
153.01817	1.0
161.05981	0.8
163.03931	1.2
165.01843	39.2
166.02147	1.4
167.03366	0.8
168.00589	5.0
169.01331	91.9
170.01643	3.6
179.03397	6.3
181.04976	0.7
183.02925	2.0
187.03940	1.2
189.01834	1.9
191.03450	3.5
193.01254	0.7
199.07661	0.6
203.03391	0.6
211.02440	7.5
241.03513	2.6
241.08643	0.8
271.04654	3.9
285.07681	27.4
286.07932	1.8
301.03427	0.7
309.07474	0.8
313.05640	78.6
314.05890	5.5
453.10345	53.5
453.19653	0.9
454.10666	6.1
479.08163	4.5
505.09872	5.6
506.10284	0.8
599.14014	100.0
600.14325	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	599.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09409	0.9
59.01263	1.6
61.98709	1.0
63.02275	1.3
63.61106	0.8
65.00212	3.6
69.03321	0.9
69.27244	2.8
69.27669	6.9
71.01244	4.3
75.00759	3.6
77.03844	0.8
79.01758	5.0
83.01277	3.0
85.02840	1.3
87.00751	1.2
93.03351	3.0
95.01288	1.5
95.04922	0.9
96.95915	1.6
97.02858	3.3
101.02346	1.9
107.01268	11.3
109.02857	3.8
111.00764	1.7
113.02359	1.6
115.05418	0.8
117.03420	1.4
119.04915	16.3
119.05720	1.3
121.02842	12.2
122.03690	1.3
123.00759	9.1
124.01616	1.8
125.02327	50.4
126.02715	1.7
135.04449	1.1
137.02393	1.8
139.00293	3.2
139.03917	3.2
140.01077	2.4
141.01871	2.0
143.04912	12.6
143.05847	1.0
145.02866	8.0
149.02406	3.3
150.03131	9.7
151.00269	26.2
151.03906	1.3
161.02377	0.8
161.06003	1.0
163.00304	2.1
163.03870	1.3
165.01857	15.0
165.05482	10.6
167.03481	1.0
168.00594	3.6
168.50401	0.8
169.01329	69.1
170.01729	2.8
178.99794	8.7
179.01018	0.8
179.03395	7.6
183.02911	1.6
185.06114	2.2
187.04021	1.0
191.03532	2.4
195.06529	5.5
199.07622	1.5
201.05656	1.1
207.06589	0.8
211.02521	2.5
227.03499	1.3
241.03587	1.8
241.08658	16.0
245.04628	1.0
255.03137	3.9
271.02573	2.9
273.04114	1.5
283.02545	1.2
285.04456	1.9
285.07666	14.5
286.08145	1.4
297.06329	2.7
300.02795	5.0
301.03503	48.6
302.03940	3.4
313.05597	30.3
314.06091	1.6
317.53333	0.9
325.07587	0.9
355.08203	1.2
355.12140	1.5
385.13058	2.0
403.13232	1.3
447.14011	4.7
501.10400	1.3
555.14758	7.8
556.15552	1.7
599.14221	100.0
600.14471	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	599.1039
Annotation	Kaempferol 7-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
50.19603	0.7
53.61908	0.7
54.10324	0.6
57.24414	0.7
57.61564	0.9
59.01241	2.4
63.02265	1.0
65.00195	1.5
71.01249	2.6
72.99181	0.8
75.70242	0.8
83.01260	1.4
83.04880	0.7
90.05199	0.7
95.01241	1.4
96.95859	1.2
101.02329	1.4
101.66971	0.7
107.01251	7.9
109.02847	1.7
111.00697	0.8
121.02810	0.9
123.00736	3.7
123.04380	0.8
125.02325	36.6
126.02683	1.0
133.02834	6.4
135.04408	1.1
137.02350	1.9
139.00244	2.1
149.02335	2.4
151.00244	7.6
165.05524	1.6
168.00534	1.0
169.01331	41.9
170.01683	1.8
175.03909	3.6
177.01944	1.0
199.03917	2.6
201.01811	1.1
211.02356	1.2
211.04196	0.9
213.60895	0.7
217.05016	1.3
241.03273	0.8
243.02792	0.8
251.39938	0.8
255.02991	3.2
283.02545	5.3
284.03247	7.6
285.04010	100.0
286.04282	6.6
300.02567	1.0
313.05728	8.8
327.04956	1.1
379.76569	0.8
416.07346	1.0
447.09265	1.7
537.19867	0.9
563.14252	4.5
598.40387	1.1
599.10339	86.1
600.10791	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	599.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55149	0.2
63.02255	0.5
65.00186	1.3
68.92011	0.2
83.01266	1.1
83.86942	0.2
93.03319	0.3
96.95859	0.2
107.01263	3.0
108.02099	0.8
109.02833	2.1
111.00751	0.2
111.08666	0.2
119.01244	0.3
121.02834	2.6
123.00762	0.6
123.36444	0.2
124.01491	0.3
125.02338	0.6
135.00774	0.5
139.00301	0.4
139.03903	0.2
145.17877	0.1
148.01529	0.8
149.02322	0.5
151.00269	13.6
151.42052	0.2
152.00711	0.5
159.04395	0.4
161.02408	0.3
163.00278	3.4
164.01039	0.4
166.99817	0.9
167.04906	0.2
169.01340	1.6
171.04469	0.3
175.03938	0.3
178.99779	6.6
180.00160	0.3
183.04474	0.4
185.02419	0.2
185.05978	0.3
185.59718	0.2
187.03885	0.4
189.05391	0.2
190.99792	0.3
192.00555	0.6
198.03250	0.3
199.03914	0.4
201.05467	0.6
203.03436	0.4
211.03975	1.3
212.04517	0.2
215.03505	0.4
216.04092	0.2
217.04929	0.2
226.02724	0.7
227.03453	2.2
228.04015	0.3
229.04945	0.9
239.03384	0.4
240.04199	0.4
243.02939	5.3
244.03375	0.5
245.04532	2.1
254.02217	1.2
255.02953	18.4
256.03406	1.5
266.02084	0.4
271.02457	34.2
272.02902	3.0
273.03979	1.2
283.02405	2.0
285.04001	0.3
299.02145	1.2
299.50735	0.2
300.02719	66.5
301.03467	52.1
302.03845	3.6
446.08469	0.3
447.09265	100.0
448.09601	9.8
448.16025	0.4
472.58636	0.2
599.09894	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55149	0.2
63.02255	0.5
65.00186	1.3
68.92011	0.2
83.01266	1.1
83.86942	0.2
93.03319	0.3
96.95859	0.2
107.01263	3.0
108.02099	0.8
109.02833	2.1
111.00751	0.2
111.08666	0.2
119.01244	0.3
121.02834	2.6
123.00762	0.6
123.36444	0.2
124.01491	0.3
125.02338	0.6
135.00774	0.5
139.00301	0.4
139.03903	0.2
145.17877	0.1
148.01529	0.8
149.02322	0.5
151.00269	13.6
151.42052	0.2
152.00711	0.5
159.04395	0.4
161.02408	0.3
163.00278	3.4
164.01039	0.4
166.99817	0.9
167.04906	0.2
169.01340	1.6
171.04469	0.3
175.03938	0.3
178.99779	6.6
180.00160	0.3
183.04474	0.4
185.02419	0.2
185.05978	0.3
185.59718	0.2
187.03885	0.4
189.05391	0.2
190.99792	0.3
192.00555	0.6
198.03250	0.3
199.03914	0.4
201.05467	0.6
203.03436	0.4
211.03975	1.3
212.04517	0.2
215.03505	0.4
216.04092	0.2
217.04929	0.2
226.02724	0.7
227.03453	2.2
228.04015	0.3
229.04945	0.9
239.03384	0.4
240.04199	0.4
243.02939	5.3
244.03375	0.5
245.04532	2.1
254.02217	1.2
255.02953	18.4
256.03406	1.5
266.02084	0.4
271.02457	34.2
272.02902	3.0
273.03979	1.2
283.02405	2.0
285.04001	0.3
299.02145	1.2
299.50735	0.2
300.02719	66.5
301.03467	52.1
302.03845	3.6
446.08469	0.3
447.09265	100.0
448.09601	9.8
448.16025	0.4
472.58636	0.2
599.09894	0.9
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	Unknow
Peak:m/z	Relative Intensity
63.02264	2.7
65.00188	4.2
67.03154	0.2
69.61559	0.7
69.61983	0.5
71.01258	0.3
83.01250	3.3
91.01764	0.5
93.03333	1.1
93.33196	0.2
95.01248	0.3
96.88200	0.2
107.01267	9.3
108.02097	0.4
109.02827	4.3
119.01279	0.5
121.02840	8.0
122.03169	0.3
123.00754	0.4
125.02348	0.9
133.02849	0.3
135.00752	0.5
137.02351	0.2
139.03918	0.9
143.04915	0.3
145.02893	0.2
147.00758	0.2
147.04488	0.2
148.01601	0.5
149.02325	1.2
151.00264	35.2
152.00528	1.1
155.04922	0.2
159.04399	0.7
161.02396	0.5
161.05983	0.2
163.00261	4.2
163.03860	0.5
164.01038	0.4
165.01842	0.2
167.04886	0.3
169.01324	2.5
171.04492	0.2
173.06007	0.5
175.03914	0.4
178.99774	15.7
180.00102	0.7
183.04424	0.8
185.05948	0.6
187.03871	0.9
189.05435	0.3
190.98141	0.2
190.99823	0.5
192.00545	0.5
193.01331	0.6
199.04002	0.4
201.05495	1.2
203.03459	0.5
210.41440	0.2
211.03934	1.9
213.05324	0.2
217.04903	0.2
227.03413	1.6
228.04155	0.3
229.04953	1.9
230.05254	0.2
239.03406	0.5
243.02945	0.7
245.04462	3.7
246.04851	0.2
255.02980	4.6
256.03604	0.6
257.04507	1.0
266.02222	0.3
271.02454	1.0
272.03012	0.5
273.03998	3.4
274.39105	0.2
282.68286	0.2
283.02402	2.0
284.03043	0.5
297.06094	0.7
299.01868	0.4
300.02704	1.0
301.03500	100.0
302.03857	7.0
447.08994	1.1
576.38269	0.2
599.10327	6.0
600.10846	0.9
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	Unknow
Peak:m/z	Relative Intensity
50.15466	0.3
63.02263	0.7
63.35689	0.3
65.00190	1.1
67.03462	0.3
67.67741	0.3
69.42622	2.3
69.43033	0.6
83.01248	0.9
86.95016	0.3
107.01267	2.7
108.02061	0.5
108.55138	0.3
109.02841	1.7
110.17884	0.3
112.89756	0.3
115.13158	0.4
121.02830	2.4
125.02260	0.4
135.00809	0.7
135.54066	0.3
143.36417	0.3
148.01588	1.0
149.02211	0.4
151.00269	11.3
152.00702	0.4
153.69173	0.3
159.04404	0.4
163.00296	2.6
164.00981	0.4
169.01308	1.0
175.03876	0.4
177.28329	0.3
178.99770	5.1
183.04367	0.6
187.03815	0.5
190.99580	0.5
192.00444	0.4
199.03920	0.4
201.05518	0.6
203.37462	0.3
211.03883	1.1
216.04126	0.4
226.02675	0.7
227.03496	1.7
229.04944	1.2
243.02927	5.4
244.03421	0.3
245.04535	1.3
254.02199	1.0
255.02951	17.4
256.03357	1.3
271.02457	31.4
272.02893	3.2
273.03979	1.1
283.02374	1.6
285.03900	0.4
299.01953	1.2
300.02719	53.6
301.03473	39.8
302.03882	3.0
408.06046	0.4
447.09268	100.0
448.09561	9.1
500.08365	0.4
534.60187	0.3
599.09930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	1.5
61.98694	1.2
70.53292	0.4
71.01258	0.8
71.50713	0.4
71.57108	0.5
72.99179	1.0
75.00739	10.7
75.63260	0.4
80.04967	0.7
80.53694	0.4
81.03330	14.3
83.01277	0.5
83.04892	45.8
84.05214	1.0
84.98029	0.4
86.06038	0.5
89.02334	0.6
90.22000	0.4
96.95895	1.4
100.07546	5.4
108.04422	0.4
109.02747	0.7
117.58812	0.5
119.03373	0.5
119.04888	0.5
123.04482	0.5
125.02312	1.4
125.07004	0.6
126.05526	1.1
127.03889	0.5
133.01366	0.5
137.02310	1.5
141.81616	0.5
145.02838	0.7
145.05008	0.7
151.00157	0.7
151.04015	0.5
161.02315	0.9
165.01913	0.5
182.15375	0.6
199.18100	7.8
200.18439	0.6
207.14961	0.6
224.17513	0.7
225.16017	10.0
226.16412	0.8
243.17091	21.7
244.17444	1.7
269.15079	1.5
271.06186	0.6
289.07095	0.7
301.03592	0.6
309.21802	1.1
310.82382	0.5
341.06451	0.7
350.05078	0.5
353.20782	8.0
435.10794	1.5
451.33151	2.5
469.33905	15.4
470.34131	2.8
553.39313	0.7
579.37463	3.2
580.37988	0.8
597.38672	100.0
598.39020	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01228	2.9
71.01257	8.0
71.57304	4.2
73.02804	3.0
76.38211	2.1
85.02811	3.6
87.00752	25.6
93.44406	2.3
99.00751	4.9
100.01531	5.7
101.02311	3.4
111.00787	12.7
112.98634	2.6
121.02802	4.0
122.03614	8.7
123.00749	6.4
123.04424	3.7
137.02271	3.8
138.03255	2.6
141.71202	2.5
142.99767	4.5
149.02357	27.7
150.03131	76.1
151.03859	8.5
161.02261	4.2
163.03905	4.7
164.04759	6.1
165.05476	87.1
166.02571	6.3
173.00786	9.6
174.01654	2.5
175.03975	3.4
176.04666	3.8
178.06238	3.8
179.03432	5.3
179.07014	4.9
180.04144	5.6
181.04964	6.5
191.03435	5.1
194.05766	6.4
195.06558	42.9
206.05557	3.5
209.08144	6.3
221.08139	8.7
247.02541	4.0
249.07668	5.1
261.04019	3.5
262.04785	4.5
264.06326	4.4
265.07098	4.2
276.06418	3.8
277.07187	10.2
337.09293	35.6
368.34656	2.8
369.13403	10.9
413.12347	3.3
461.14526	36.1
531.15338	2.9
533.16553	10.2
579.17120	20.6
597.18188	100.0
598.18817	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	597.182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03304	1.3
59.01249	4.0
59.85537	0.5
66.03648	0.6
68.99669	1.3
69.03313	1.0
69.34798	5.4
71.01244	3.1
72.31511	0.5
72.99159	0.9
73.02795	1.2
75.00348	0.9
75.00742	12.4
76.45322	0.5
81.03319	6.2
81.31837	0.6
83.01244	6.9
83.04929	0.5
85.02794	1.8
85.46438	0.5
93.03334	5.7
95.01242	2.7
95.04898	5.3
96.95891	1.1
97.02824	5.7
97.38320	0.5
97.40307	0.5
98.20547	1.0
99.00746	2.1
99.04391	2.4
101.02361	0.6
105.03307	0.7
107.01315	0.7
107.04887	2.4
108.02048	1.3
109.02842	4.1
109.06451	1.3
111.00759	1.4
111.04389	3.2
113.02303	2.1
115.00263	1.2
119.04903	9.6
121.02824	2.9
121.06472	1.8
123.00748	2.6
123.04400	15.6
124.01562	0.6
125.02328	15.1
131.04993	0.5
133.01294	1.9
135.04434	4.1
137.02344	5.6
137.05981	7.4
139.00253	0.6
139.03903	10.4
141.01802	1.5
145.02788	0.7
147.04460	2.7
149.02330	1.5
149.05984	1.8
151.00183	0.6
151.03886	4.3
153.05438	1.3
161.02293	0.8
161.06001	2.3
163.03897	4.8
163.07544	1.0
164.04550	0.8
165.01825	2.6
165.05482	6.0
166.02592	1.3
166.99713	0.8
167.03401	28.4
169.01303	4.1
177.01884	0.7
177.05450	2.7
178.99812	1.1
179.03418	8.5
179.07033	1.7
180.04088	1.1
181.04953	1.9
189.01872	0.7
189.05461	8.0
191.03392	2.9
191.06999	0.8
193.04948	4.5
197.04491	4.7
203.03516	0.9
205.05064	1.0
207.06534	3.5
209.04474	29.2
210.04849	1.4
217.04990	1.5
219.02884	1.6
220.03748	0.6
221.04480	5.5
223.06012	1.3
229.08568	1.2
231.06551	0.9
233.04396	1.5
235.06046	1.1
239.05563	12.6
244.63014	0.6
245.08372	0.7
249.04054	0.6
251.05611	6.1
263.05566	2.0
269.06644	2.2
271.02274	0.6
271.09302	0.5
273.07697	4.6
275.05591	0.9
281.06641	1.0
285.07666	1.5
289.07129	1.1
293.06674	0.8
301.03256	0.8
315.04984	1.0
315.08694	17.9
316.02451	0.7
316.08914	1.1
317.02380	0.8
318.03061	0.7
327.08719	8.6
327.12381	1.1
329.09982	0.8
339.08853	0.7
341.06555	0.7
341.10300	1.9
345.09735	7.1
345.13419	1.2
357.09753	100.0
358.10080	8.6
369.09781	3.5
370.10089	0.7
371.11343	0.7
375.14459	0.9
387.10815	74.1
388.11325	6.7
399.10782	4.1
417.11859	22.4
418.12201	2.1
429.11755	1.8
441.12320	0.8
451.07895	2.0
459.12961	8.4
463.08563	0.7
465.09717	1.1
471.12946	0.7
477.13983	22.5
478.14523	3.1
489.14020	5.4
490.14658	0.7
507.14853	2.6
579.17133	1.2
597.18414	12.6
598.19141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.167
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76465	6.0
52.94617	5.5
54.58657	5.4
55.89021	5.5
60.79993	5.2
69.54164	33.8
69.54582	18.5
70.24087	6.4
72.99171	29.0
83.42098	6.0
87.00857	7.8
107.04869	7.1
151.76762	6.3
165.05473	58.2
179.03429	17.8
193.04919	13.2
224.92587	6.2
255.05028	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	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01245	0.6
71.11946	0.8
76.59489	0.4
78.95774	68.9
96.96841	13.1
114.12490	0.4
132.37167	0.4
150.97882	1.0
152.99486	100.0
153.99834	1.2
168.46318	0.4
171.00574	2.4
209.11757	0.5
211.13437	0.4
223.00073	9.5
241.01137	28.6
242.01585	0.6
259.02246	1.6
266.86502	0.4
279.23282	60.9
280.23624	6.3
315.04849	16.9
316.05106	0.8
326.77200	0.4
333.05829	1.4
409.68390	0.5
454.79510	0.5
497.60330	0.5
595.28857	82.1
596.29211	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	595.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56952	0.7
52.15933	0.7
55.90978	1.0
58.00466	1.8
59.01252	22.5
60.01586	0.7
68.99668	0.7
70.15317	2.0
70.15726	1.3
71.01256	15.8
72.99179	3.1
80.04908	4.2
83.01271	1.7
85.02816	4.5
87.00750	2.3
89.02320	10.2
94.06490	3.6
95.01257	1.5
96.08069	1.6
96.95876	1.6
97.01575	2.2
98.19802	0.9
101.02309	8.1
106.06502	3.1
108.04456	2.3
109.02802	0.9
109.05247	1.2
113.02312	3.4
115.00250	4.9
119.03377	3.5
119.04865	2.2
120.04432	3.5
120.05199	0.9
121.05237	5.5
122.06004	13.6
123.04424	2.0
123.06731	1.2
124.07571	17.0
125.02375	5.0
128.03404	1.0
133.01332	7.5
134.95818	0.8
135.04387	1.0
136.03920	2.5
143.04539	1.6
145.02859	1.2
148.03937	38.1
149.04337	0.9
149.06026	0.8
150.05542	8.7
164.07118	1.2
165.01816	1.0
166.05000	3.5
168.06567	10.4
169.01265	1.6
173.05898	0.8
178.99774	0.8
179.03375	1.7
180.03717	0.9
182.20448	0.8
188.74861	0.8
194.04527	3.2
207.10358	0.9
209.11707	1.6
213.10355	1.3
215.08215	1.8
215.11639	0.8
225.06657	3.2
226.07243	1.4
227.11975	0.7
229.09793	4.1
229.13383	1.1
230.10455	1.7
231.11359	15.9
239.08206	1.9
240.09010	3.5
241.09680	2.5
243.07912	0.9
243.11298	1.0
244.12160	2.9
254.10594	1.1
255.11371	42.2
256.11600	2.9
257.09235	3.2
259.06107	3.4
259.10895	1.4
271.08109	0.8
271.10837	1.3
272.08969	1.1
272.11630	6.5
273.12433	22.7
274.12683	1.5
275.10345	1.4
283.06125	1.0
287.05493	2.0
299.09402	1.2
300.09790	1.6
301.09772	2.0
306.07559	2.1
314.04364	1.0
317.50662	0.8
328.10385	2.3
372.09262	1.1
388.97372	1.7
416.11932	1.4
435.17673	8.2
436.17905	1.1
453.18802	41.2
454.18939	3.4
479.16806	6.7
496.16882	3.0
497.17770	100.0
498.18134	11.4
595.25378	14.6
596.25677	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	595.1662
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
62.64697	0.8
65.00177	1.6
68.99682	1.6
69.03298	1.0
70.87640	1.1
70.87981	2.2
75.00713	1.3
79.01754	1.7
81.03320	3.2
83.01249	5.6
93.03319	9.3
95.01256	2.8
95.04893	1.9
96.36052	1.0
97.02823	6.0
98.19855	1.1
99.00760	1.4
107.01274	10.0
107.04903	2.2
109.02816	3.9
111.04379	2.2
113.02312	1.9
114.38991	0.8
117.03375	1.5
119.04910	51.6
120.05246	2.4
121.02821	5.5
123.00745	2.6
123.04398	5.2
123.06685	1.0
124.88945	0.9
125.02319	11.2
133.02866	1.3
135.04402	2.4
136.01575	1.2
137.02321	6.5
139.03947	7.0
143.04945	7.1
145.02841	9.1
147.04393	4.7
149.02342	5.7
150.03160	1.6
151.00279	6.7
151.03841	1.8
161.02322	2.3
161.05969	3.8
163.00308	5.2
163.03899	7.0
164.00967	2.1
165.01894	6.5
167.03395	13.8
175.03938	1.3
177.01811	7.5
177.05437	1.3
178.02411	1.8
179.03404	4.5
180.46881	0.9
181.05045	1.2
185.05901	1.6
187.03957	8.1
189.01869	1.8
189.05414	1.4
190.02655	1.2
191.03401	5.6
192.00471	1.4
193.01366	10.6
193.04929	1.6
197.04466	4.4
199.07520	4.4
203.03493	1.9
205.01323	11.9
205.04890	1.1
206.02150	1.6
207.02887	4.3
209.04430	4.5
219.02890	4.6
221.04453	1.3
223.02396	2.8
227.07114	2.6
235.02414	16.8
236.02792	1.5
237.09140	1.4
239.05415	2.8
241.08693	1.4
247.02385	2.6
249.04085	2.5
261.04135	2.5
265.03592	6.6
265.08578	1.5
271.06073	4.6
283.06107	2.5
291.04736	1.6
295.04544	1.3
297.07434	1.5
313.07184	24.8
314.07291	1.4
325.07013	8.8
339.08670	1.7
343.08188	8.9
355.08206	100.0
356.08533	10.4
367.08121	6.6
369.09802	1.5
385.09253	80.0
386.09613	9.7
397.09006	6.2
415.10291	22.6
416.10657	1.7
427.10098	1.7
457.11392	9.2
458.11978	1.7
469.11053	1.8
475.12411	41.6
476.12811	5.6
487.12436	6.1
505.13589	11.0
506.13754	2.0
577.15833	4.8
595.16638	88.8
596.16956	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.9
59.01251	3.0
61.98709	2.1
65.00191	15.4
71.01238	2.1
71.58060	0.9
72.99174	1.9
83.01263	6.5
95.01323	0.9
96.95885	3.8
101.02316	1.4
107.01261	25.2
107.01950	1.7
109.02847	3.4
116.92721	4.7
117.03323	1.5
119.04906	2.9
121.02840	2.1
123.00756	1.3
125.02337	9.4
133.02849	2.8
134.03610	1.5
135.04405	67.9
135.55295	0.9
136.04781	2.6
137.02289	1.2
145.02853	10.5
151.00266	100.0
152.00618	2.7
159.04376	1.1
161.02353	5.5
163.03926	2.4
165.01791	1.6
169.01335	4.2
175.00241	6.2
177.01839	2.8
179.03528	0.9
193.01318	1.9
253.05133	0.9
269.04486	1.5
285.03983	2.1
287.05600	79.0
288.05872	6.2
303.05145	0.9
307.08270	12.1
308.08630	1.4
311.05655	1.0
459.09372	2.1
558.13855	1.0
595.14655	18.5
595.23914	2.1
596.14642	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	595.1456
Annotation	Okanin 4'-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
57.03315	5.1
59.01230	1.8
65.00193	3.5
69.38026	0.5
71.01247	1.2
72.99149	0.7
81.03336	3.7
83.01247	5.5
87.00668	0.5
89.02331	0.6
89.35751	0.5
93.03339	5.0
95.01283	0.9
96.95897	1.3
107.01266	6.1
107.04922	0.9
109.02808	2.0
117.03326	1.8
119.04889	2.0
121.02837	1.8
123.00635	0.5
123.04410	1.9
124.01515	1.8
125.02335	47.4
126.02645	2.2
129.23473	0.7
131.04897	0.7
133.02835	2.3
137.02328	2.0
139.03920	1.8
143.04834	0.7
145.02858	6.2
148.03949	1.9
149.02336	2.2
151.00272	14.4
152.01050	3.6
153.01837	11.2
157.06491	1.0
158.03606	1.1
159.04404	0.9
161.05914	0.6
163.00349	1.2
163.03853	1.3
165.01817	1.2
167.03444	0.9
169.01344	2.3
169.06453	0.7
171.04485	0.9
172.05237	4.8
173.05994	9.9
174.06432	0.6
175.00299	1.1
175.03897	2.7
176.01051	1.4
177.01869	1.5
177.05519	2.9
178.99767	12.9
180.00069	0.6
181.01245	1.1
187.07588	1.6
197.06000	1.0
199.07588	1.3
200.04710	1.0
201.05478	4.1
215.07045	13.0
219.06633	0.6
241.05034	2.6
243.06581	6.7
255.11365	1.9
259.06091	100.0
260.06427	6.3
269.04468	5.7
270.04620	0.8
273.07666	1.2
273.12479	1.2
283.06091	14.8
284.06619	1.1
287.05603	67.8
288.05911	5.1
301.07114	5.5
302.07220	0.6
307.08264	2.2
311.05658	1.6
313.07147	1.2
325.07169	1.3
453.19022	1.3
461.10980	1.7
488.09344	0.8
497.17755	3.6
567.15094	18.2
568.15381	2.7
577.13623	2.5
595.14374	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	595.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53585	0.8
51.82364	0.8
54.30003	0.8
54.35969	0.8
59.01227	2.4
67.01745	0.8
69.66011	5.0
69.66414	2.0
71.01246	1.4
72.99184	1.0
85.68542	1.0
89.02293	1.7
92.47852	0.8
96.95896	6.0
98.19847	1.3
101.02319	1.0
107.01249	1.7
108.02033	2.0
109.02836	1.1
121.02899	1.8
125.02314	3.9
135.02866	2.5
148.01529	1.5
151.00267	9.3
156.42607	0.9
163.00256	1.7
164.00989	1.9
169.01396	5.0
178.99733	6.7
226.02718	1.1
227.03395	3.1
243.02930	9.5
254.02013	1.5
255.02960	28.6
256.03333	1.3
271.02457	57.3
272.02762	4.9
299.01834	4.2
300.02719	100.0
301.03351	16.6
313.05661	1.6
317.02951	3.1
343.11676	1.3
345.61490	0.9
373.12952	1.4
415.07019	1.0
416.47702	1.1
433.07733	1.9
449.06915	4.3
463.08691	4.7
477.10162	1.3
595.12976	82.7
596.13214	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	595.1453
Annotation	Okanin 4'-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
57.03312	2.9
59.01240	2.5
61.98700	2.8
65.00192	14.0
65.90810	0.9
71.01258	3.4
72.99162	1.4
76.45741	0.9
78.95753	1.1
83.01255	6.9
89.02291	1.3
93.82865	1.0
96.95880	2.3
101.02351	2.1
107.00549	0.7
107.01270	22.6
109.02835	3.0
117.03353	6.3
119.04918	5.7
125.02339	16.3
133.02864	3.9
135.04407	72.0
136.04808	1.9
137.02333	1.8
145.02852	23.9
147.04463	1.0
149.02264	1.2
151.00267	100.0
152.00592	2.7
159.04440	4.0
161.02344	9.1
163.03937	4.4
163.72371	1.0
165.01772	2.1
165.05516	1.2
169.01347	4.5
175.00238	1.5
177.01848	2.1
179.03473	1.3
193.01295	1.2
199.80815	0.9
201.05449	1.4
203.03375	1.5
218.76619	1.2
243.06596	9.3
259.06143	3.5
266.76950	1.0
269.04523	8.1
287.05600	56.6
288.05893	3.5
289.15521	1.1
299.02106	2.3
307.08170	10.6
404.23099	1.1
431.09628	3.0
433.09387	1.5
439.99094	1.1
443.13519	2.3
449.10760	4.5
469.11417	4.5
509.75336	1.2
595.14441	32.0
595.23682	2.7
595.33667	4.5
596.14850	6.3
600.65247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1303
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.22075	0.8
56.73732	0.8
67.39799	0.8
70.59713	2.8
88.98700	0.8
91.31071	0.8
95.01331	0.9
96.95888	2.3
107.01269	1.3
121.02853	1.0
151.00290	4.9
165.01874	1.0
169.01389	1.2
171.69795	0.9
182.75725	0.8
199.03934	2.6
201.01881	1.4
215.03444	1.8
227.03383	3.8
243.02980	4.1
254.02379	1.0
255.02858	1.2
271.02448	50.8
272.02890	3.8
272.08868	1.5
299.01941	100.0
300.02527	15.2
301.03482	26.8
302.03860	1.3
433.07687	12.7
434.07797	1.1
462.07977	30.7
463.08636	12.1
595.12970	56.5
596.13409	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	595.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21619	0.3
59.01239	1.3
63.02250	0.9
65.00187	1.5
71.44873	0.5
71.45224	0.4
83.01264	1.4
84.30174	0.4
88.56110	0.4
107.01268	4.2
108.02060	0.9
109.02814	0.6
117.44444	0.4
121.02847	3.6
135.00824	0.4
146.41226	0.4
148.01544	1.2
149.02478	0.5
151.00267	18.5
152.00648	0.5
159.04462	0.4
163.00241	1.1
164.00964	0.6
169.01332	1.4
171.04420	0.4
174.68672	0.5
178.98204	0.5
178.99768	9.6
187.03819	0.5
191.37816	0.5
193.01401	0.6
199.01277	0.4
199.03990	0.8
201.05447	0.5
211.03853	0.8
215.03413	0.7
226.02623	0.9
227.03432	2.3
229.04971	0.7
243.02930	8.1
244.03265	0.8
245.04488	0.6
254.02199	1.9
255.02954	23.9
256.03412	1.6
257.04602	0.6
271.02460	48.8
272.02972	4.1
273.03976	1.2
283.02271	0.5
299.02054	3.8
300.02722	100.0
301.03464	57.8
302.03864	4.5
343.04559	0.6
350.38043	0.4
355.11945	0.6
433.07706	28.8
434.08051	3.0
463.08844	9.6
464.09402	1.3
595.13019	21.2
596.13330	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85832	0.9
59.01242	1.9
62.05772	1.1
64.25581	0.9
65.00190	3.2
69.55777	8.0
72.99206	1.1
75.00700	1.1
83.01263	2.4
93.03314	1.3
95.01216	2.7
96.76364	1.1
96.95879	3.9
107.01242	3.2
109.02832	6.8
109.99980	5.2
111.00728	4.0
116.92740	3.2
121.02805	2.1
123.00758	4.4
124.01573	2.0
125.02326	5.0
135.00824	1.1
136.01578	1.8
136.98697	2.6
137.02303	3.5
137.99492	1.8
139.00258	8.4
139.03896	1.9
145.02879	1.2
148.01471	1.5
149.02342	4.5
151.00269	18.1
152.01013	3.9
153.01816	3.5
159.04431	1.7
161.02313	2.0
163.00282	7.9
163.03970	1.6
164.01056	5.6
165.01820	1.1
165.98996	7.5
166.99768	5.2
169.01305	3.0
171.04395	2.1
173.02411	1.2
174.03027	1.3
175.00249	2.0
175.03909	1.5
177.01917	1.2
178.99767	17.3
187.03850	4.1
188.04596	1.3
189.01869	3.1
190.99783	2.3
193.01340	1.3
194.99274	1.9
199.03900	4.4
201.01811	2.3
201.05466	1.5
203.03435	2.9
205.01224	1.3
206.99252	1.6
214.02676	3.4
215.03407	7.1
216.04082	2.1
217.01294	1.5
219.03006	2.6
227.03474	5.7
228.04018	1.5
229.01492	1.6
231.02879	3.9
242.02142	2.9
243.02953	9.2
244.03505	1.6
245.04599	1.7
255.02957	4.3
259.02399	3.5
260.03094	1.3
270.01678	6.1
271.02438	21.8
271.05112	2.0
272.03244	7.3
272.65445	1.0
273.03903	2.3
287.01944	27.4
288.02573	6.3
289.03455	1.6
298.01199	2.1
299.01950	22.9
300.02472	3.9
301.03076	1.6
305.89716	1.1
315.01462	13.8
316.02185	63.5
317.02945	48.0
318.03262	3.2
405.08078	1.1
445.07727	2.2
448.06357	1.4
449.07202	100.0
450.07599	10.1
462.07468	1.3
463.08774	65.0
464.09122	7.0
595.12958	51.7
595.28821	2.2
596.13379	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	595.1303
Annotation	Myricetin 3-xylosyl-(1->3)-rhamnoside
Peak:m/z	Relative Intensity
51.00994	0.5
51.20174	0.5
62.69071	0.5
63.02302	0.6
65.00225	1.2
67.01817	0.7
76.61772	0.4
82.19051	0.5
83.01308	0.8
89.85917	0.5
95.01252	2.5
99.00814	0.5
107.01277	3.4
109.02840	4.4
109.99989	3.9
110.03320	0.4
111.00832	2.2
113.02362	0.6
119.04951	1.0
121.02879	1.4
123.00767	3.3
124.01626	1.9
125.02345	6.2
125.03201	0.4
130.73076	0.5
133.02917	0.5
135.00833	1.0
136.01634	0.8
136.98737	1.6
137.02364	2.8
137.99554	2.2
139.00270	6.2
139.03912	0.8
140.01038	0.7
143.04994	0.7
145.02899	0.9
148.01649	0.7
149.02324	2.2
151.00270	14.0
152.01073	4.2
153.01898	1.9
159.04457	0.9
161.02394	1.8
163.00290	6.7
163.01405	0.5
163.03871	1.0
164.01030	3.3
165.01819	0.8
165.99011	5.4
166.99796	4.1
168.00621	0.7
169.01350	4.1
171.04500	2.2
174.03140	0.9
175.00337	1.4
175.03926	1.3
177.01782	0.6
178.99765	15.8
180.00241	0.9
181.01393	0.7
183.04503	0.6
185.92303	0.5
186.03188	0.6
187.03894	3.3
188.04665	0.5
189.01898	1.9
190.99908	1.8
193.01381	0.8
193.98505	0.7
194.99252	0.9
197.02406	0.7
198.03194	0.6
199.03958	3.3
200.04555	0.6
201.01930	0.9
201.05547	1.1
202.02615	0.6
203.03450	1.9
206.99348	1.4
208.00056	0.9
213.01912	1.0
214.02702	2.0
215.03479	5.1
216.04211	1.4
216.79698	0.5
217.01422	1.5
217.04929	0.9
218.02179	1.0
219.02960	0.8
226.02650	1.0
227.03394	5.4
228.04205	0.7
229.01378	1.0
229.05154	0.8
230.02240	0.6
231.02852	2.4
232.03743	1.1
242.02246	2.3
243.02948	8.4
243.05324	0.7
244.03665	1.5
245.00966	0.5
245.04509	2.5
255.02881	3.0
259.02475	3.7
261.03983	0.7
270.01614	4.1
271.02411	19.4
272.03076	5.2
273.04025	4.4
274.01178	0.6
287.01971	18.7
288.02554	4.5
289.03479	1.4
297.00351	0.8
298.01144	2.3
299.01944	17.5
299.05316	0.9
300.02374	2.0
301.03342	1.3
313.05670	0.6
315.01453	10.1
316.02200	63.6
317.02942	57.3
318.03284	4.0
445.07584	1.7
448.06339	1.3
449.07211	38.3
449.12881	2.7
450.07285	4.3
462.07486	0.9
463.08786	100.0
464.09158	11.1
541.00323	0.5
546.44940	0.6
595.12732	38.8
596.13226	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	593.2813
Annotation	Dictamnoside G
Peak:m/z	Relative Intensity
54.33730	0.5
55.01744	1.3
57.03325	0.9
58.00452	0.7
59.01250	19.9
60.99151	1.0
61.98663	0.5
65.00436	0.4
65.83460	0.5
69.03308	0.5
69.27220	1.0
69.27631	4.1
71.01252	24.4
72.99155	1.0
73.02814	8.2
78.95781	0.5
83.00797	0.5
83.01244	3.2
85.02820	8.0
85.99953	0.6
87.00760	6.9
89.02322	12.5
90.59489	0.4
95.01269	2.2
96.95895	0.9
97.02834	0.7
99.00763	3.0
101.02322	20.2
113.02327	12.1
113.09603	0.5
119.03382	4.3
125.02342	1.4
131.03404	7.9
135.04347	0.6
143.03351	1.6
159.02878	2.0
161.04463	11.2
169.01228	0.6
178.99971	0.6
179.05589	2.9
191.68936	0.5
207.17455	1.8
217.64423	0.5
219.59013	0.5
221.06631	10.2
222.07036	0.5
227.33397	0.5
233.15410	1.6
251.16460	5.5
269.17551	1.0
285.04007	0.5
301.03537	0.8
330.86322	0.6
364.18555	0.5
413.21701	0.8
431.22897	1.4
575.27283	2.2
593.19714	3.4
593.28107	100.0
594.28467	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	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98897	0.4
52.12006	0.4
59.01239	1.5
63.19767	0.4
71.20984	1.1
78.95772	69.2
82.03105	0.4
96.70923	0.5
96.94172	0.4
96.95904	0.8
96.96835	13.5
111.54579	0.4
117.46014	0.4
129.86603	0.5
150.97908	1.1
152.99483	100.0
153.99814	1.6
171.00571	2.7
221.33261	0.5
223.00047	9.4
241.01146	24.7
259.02158	2.0
277.21713	47.8
278.22061	3.9
315.04874	15.4
316.05075	0.9
333.05853	1.1
348.52893	0.5
593.27295	79.9
594.27637	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	593.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.4
68.59689	0.9
70.14149	4.7
76.41154	0.9
76.61185	0.9
78.95773	81.8
83.04893	1.6
96.96828	18.8
98.84204	1.1
121.02773	1.3
143.23894	0.9
150.98013	1.0
152.99483	65.8
153.99823	1.1
162.83769	1.3
171.00581	1.2
209.11760	3.8
223.00085	2.4
227.12817	2.4
241.01149	35.5
242.01283	1.4
277.21701	55.9
278.21921	5.0
291.19556	1.1
309.20901	1.8
315.04855	11.9
352.73038	1.0
406.60626	1.0
413.21039	8.9
489.21811	1.0
508.40070	0.9
593.27252	100.0
594.27563	13.8
608.08655	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61041	0.4
58.24141	0.5
59.01241	1.6
61.98706	0.8
66.42163	0.5
70.59165	1.8
70.84040	0.5
71.01245	0.7
72.96228	0.4
78.95770	65.2
96.96835	13.4
133.16058	0.5
150.97916	1.5
152.99478	100.0
153.99840	0.9
171.00587	3.6
209.11771	0.8
223.00067	9.4
233.22726	0.6
241.01138	25.4
242.01459	1.2
259.02219	2.1
275.19897	0.7
277.21692	43.4
278.22086	3.2
308.50220	0.5
309.20712	0.6
315.04828	16.9
333.05835	1.3
343.94751	0.7
593.27252	77.9
594.27521	10.2
608.13171	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1873
Annotation	Miconioside B
Peak:m/z	Relative Intensity
55.42210	0.6
59.01252	4.0
61.98705	0.8
71.01257	2.8
71.58331	1.2
73.02843	0.7
78.95775	0.7
79.01756	14.9
79.02200	0.9
83.01264	0.7
83.05682	0.6
85.02813	0.8
89.02323	1.3
91.05417	2.9
93.03326	7.8
96.95880	1.6
97.02840	1.5
100.37364	0.6
109.02908	0.8
111.04396	4.7
113.02276	0.7
115.00330	0.6
117.03342	0.7
119.04914	38.7
120.05316	1.1
121.02840	0.7
123.04376	0.7
125.02347	1.4
133.02840	1.2
135.04408	21.8
136.05107	0.7
145.02863	4.9
149.02336	1.5
149.05908	1.2
150.03128	3.7
151.00233	1.2
151.03912	2.8
153.05461	1.8
153.75182	0.6
161.06050	0.8
163.03882	1.2
164.03461	0.7
164.04675	3.2
165.05507	0.8
178.02646	1.3
179.03423	42.2
180.03862	1.8
192.04218	1.9
193.05017	4.3
197.04546	3.7
199.03935	0.8
199.07631	0.6
205.05017	6.8
209.94441	0.6
224.03178	4.0
255.10223	3.7
284.03299	1.8
285.04044	12.4
286.04370	1.2
298.05313	1.0
298.08609	3.2
299.09232	67.5
300.09512	5.1
461.14667	1.9
593.18921	100.0
594.19427	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	593.1513
Annotation	Isorhamnetin 3-alpha-L-arabinopyranosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
50.93107	0.5
69.54441	3.4
74.72535	0.4
77.03838	1.0
79.01777	2.5
83.38062	0.4
93.03332	0.6
97.02834	0.7
100.02731	0.4
105.03334	0.5
108.02009	0.5
109.02831	1.5
121.02835	7.4
133.02794	0.5
139.03877	0.9
148.01576	0.6
149.02304	1.3
150.03082	0.4
165.00482	0.9
165.01840	13.8
169.01335	0.5
177.01823	1.7
183.02876	0.6
193.01366	4.4
197.05980	0.5
205.01338	0.6
229.05093	0.5
234.22397	0.5
240.04198	0.6
241.05060	2.1
245.29140	0.5
257.04559	4.0
258.05154	0.5
259.06061	1.1
268.03625	1.0
269.04553	12.5
270.04950	0.7
276.20657	0.5
285.04041	26.1
286.04391	2.5
313.03516	1.8
314.04306	64.9
315.05054	63.2
316.05484	6.3
386.89203	0.4
461.10883	100.0
462.11243	12.6
593.15344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79635	0.4
59.01233	1.2
61.98710	2.7
65.00188	1.6
69.92159	2.0
71.01231	1.3
73.02824	0.7
73.39423	0.4
74.90810	0.4
77.03819	2.3
78.95756	0.9
79.01762	10.9
83.01252	0.8
85.02811	0.8
87.00755	0.7
88.98709	0.4
89.02305	0.8
93.03326	5.0
94.03723	0.4
97.02831	2.5
98.19839	0.5
101.02302	0.9
113.02384	0.4
117.03358	2.9
119.04909	36.2
120.05273	1.0
121.02841	15.0
122.03170	0.4
123.04384	0.6
125.02328	1.2
133.06409	0.5
137.02280	0.6
139.03897	3.4
143.04942	1.0
145.02849	15.8
146.03174	0.7
151.00337	0.4
151.03886	0.9
152.99471	0.6
161.05977	1.1
163.03932	2.4
165.01839	39.4
166.02165	1.2
179.03380	4.0
183.02966	3.2
186.85231	0.5
187.03865	1.2
189.01804	2.0
191.03401	4.4
199.07574	0.9
205.04959	0.9
207.02856	0.7
209.11830	0.5
241.08786	2.1
243.06657	0.7
253.09302	0.4
265.07117	1.6
271.02371	0.7
285.07663	100.0
286.07977	9.2
300.02756	1.1
301.03516	0.9
307.08231	13.8
308.08572	0.9
309.07678	2.3
327.08661	0.9
375.21744	0.8
379.23264	0.4
447.09338	1.6
532.28906	0.4
533.28802	0.5
593.16479	5.8
593.29456	1.0
594.16449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55957	0.4
54.92343	0.4
63.02251	1.8
65.00175	2.7
67.74446	0.4
83.01246	3.1
93.03325	0.5
96.95899	1.2
98.20640	1.0
103.30781	0.4
107.01260	8.1
109.02811	2.5
121.02829	6.3
125.02332	5.0
135.00752	1.0
137.02237	0.7
148.01576	1.1
149.02342	1.2
151.00264	28.6
152.00710	1.0
159.04338	0.6
161.02357	0.7
163.00319	2.8
164.00958	0.7
169.01334	7.6
175.03868	0.7
178.99767	14.5
180.00137	0.5
183.04332	0.7
192.00520	0.7
193.01370	0.8
201.05496	1.0
211.02225	0.7
211.03958	1.3
215.03340	0.6
217.38113	0.6
227.03427	1.6
229.04933	1.2
239.03232	0.5
243.02963	4.3
244.03316	0.6
245.04480	2.1
254.02127	1.0
255.02946	16.8
256.03452	1.5
257.04626	0.6
271.02451	29.2
272.02927	3.2
273.03900	1.8
283.02380	1.7
289.07245	1.7
299.01981	2.2
300.02713	58.2
301.03479	80.1
302.03793	6.9
330.39227	0.4
420.44809	0.5
441.08090	3.1
441.37451	0.5
447.09271	100.0
448.09576	12.0
449.09485	1.7
593.15216	1.5
599.38239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1511
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
53.51406	0.2
59.01232	0.2
65.00214	0.3
66.58452	0.2
83.01261	0.3
93.03347	0.8
96.95895	0.3
98.19798	0.4
100.64216	0.2
107.01263	0.6
108.06303	0.2
109.02853	0.2
117.03341	0.8
121.02806	0.2
121.71197	0.2
125.02303	0.4
127.84055	0.2
137.02335	0.2
140.48636	0.2
143.04922	0.4
151.00249	1.0
153.01857	0.2
154.04115	0.4
155.04927	0.3
159.04437	0.7
163.00293	0.4
164.74068	0.2
165.01895	0.3
167.04907	0.2
169.01355	0.5
169.06474	0.8
171.04478	0.3
173.02380	0.3
173.06085	0.2
183.04443	1.9
185.02303	0.4
185.05978	0.9
187.03912	0.6
195.04376	0.3
211.03935	2.0
212.04425	0.2
213.05473	0.9
214.02739	0.2
215.03474	0.3
227.03450	2.8
229.05005	0.8
229.76527	0.3
239.03481	0.6
240.04012	0.3
241.05028	0.2
243.02937	0.5
255.02960	24.7
256.03268	1.7
257.04468	0.5
269.04486	0.6
281.04547	0.7
283.02460	49.7
284.02948	6.5
285.04016	100.0
286.04370	8.3
296.02972	0.3
297.04083	0.8
298.04654	0.4
299.05521	0.7
307.05945	0.4
309.03979	0.3
327.05093	3.7
327.46329	0.2
328.05472	0.3
357.06012	0.3
381.27991	0.2
431.09799	8.7
432.10052	1.0
434.97229	0.2
446.02216	0.5
446.08521	10.9
447.09256	18.7
448.09647	2.3
473.11163	0.3
524.15948	0.2
593.15063	24.2
594.15393	4.2
603.77911	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02288	0.5
64.36833	0.2
64.99904	0.3
65.00214	0.5
67.52079	0.1
69.50001	0.4
69.50409	1.0
83.01258	0.6
93.03342	0.3
107.01254	1.4
117.03341	0.7
119.04957	0.3
122.10883	0.2
125.02317	0.4
132.02071	0.4
139.07573	0.2
145.02896	0.2
151.00258	3.5
155.04932	0.5
159.04434	0.5
163.00284	0.4
163.03900	0.2
164.01088	0.3
165.87065	0.2
167.04971	0.4
169.01349	0.6
171.04393	0.3
173.05968	0.3
182.03705	0.3
183.04442	3.0
185.02333	0.6
187.03929	0.6
199.03926	0.3
211.03937	3.1
212.04564	0.2
213.01945	0.3
213.05415	0.2
226.02559	0.2
227.03450	3.1
228.03914	0.4
229.05029	0.3
239.03413	0.3
241.05070	0.3
255.02950	50.5
256.00735	0.1
256.03314	3.9
257.04483	0.6
269.04327	0.2
282.01559	0.3
283.02444	100.0
284.03036	16.5
285.04004	20.0
286.04419	1.7
297.03836	0.3
298.04868	0.2
327.05188	0.8
328.00174	0.2
417.08063	0.2
431.09784	9.4
432.10309	1.2
446.08490	10.6
447.09177	6.3
448.09448	0.6
489.10269	0.4
593.15057	80.1
594.15381	12.5
594.29437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77994	0.6
63.02235	1.1
65.00183	1.8
67.54835	0.6
68.44527	0.5
69.57143	3.9
71.60040	0.5
83.01250	1.0
102.87382	0.6
107.01263	4.1
108.02065	1.0
109.02811	2.1
121.02826	4.3
125.02340	0.6
134.19412	0.6
135.00751	0.9
148.01624	1.2
149.02325	0.8
150.99124	1.2
151.00266	17.3
152.00626	0.6
161.57193	0.6
163.00235	3.0
164.00952	0.7
169.01363	1.3
178.99765	10.1
180.00191	0.8
187.03940	0.8
193.01207	0.6
211.03955	0.9
226.02579	0.8
227.03447	2.3
229.04979	1.3
239.03491	0.7
243.02916	5.6
244.03520	1.1
245.04539	2.4
254.02147	2.0
255.02946	20.7
256.03320	1.8
257.04041	0.8
271.02444	39.3
272.02866	3.7
273.04053	1.3
283.02451	1.9
299.01944	4.0
300.02722	84.7
301.03458	77.4
302.03793	7.8
436.73947	0.6
447.09262	100.0
448.09637	12.6
449.09854	2.3
454.91336	0.6
593.14709	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.2
61.98705	0.8
66.11686	0.1
72.53658	0.1
72.68568	0.1
77.03863	0.3
78.95769	0.2
91.01778	0.2
91.55361	0.1
93.03356	0.3
98.19655	0.2
108.24983	0.1
112.01775	0.1
117.04675	0.1
117.27914	0.1
118.87832	0.1
119.06625	0.1
120.02075	0.5
121.02837	100.0
122.03170	3.2
136.01523	0.4
152.99466	0.2
164.01186	0.2
165.00464	0.3
165.01833	4.4
166.02164	0.1
180.05676	0.4
181.04982	0.2
181.06490	2.5
187.02896	0.1
197.06023	2.0
198.06310	0.2
207.04366	0.6
207.08073	0.3
209.04482	52.0
210.04805	2.3
211.13316	0.2
222.05487	0.1
223.03967	0.2
225.05496	1.9
251.07095	0.3
257.09671	0.6
285.09079	0.2
295.06018	0.2
301.08627	0.2
313.07108	1.9
329.08133	0.3
329.11594	0.2
357.06140	1.0
369.14743	0.2
373.10681	0.2
383.07608	1.1
401.08783	0.4
417.09796	1.2
505.11349	2.6
506.11841	0.3
549.10327	5.5
550.10681	0.8
593.13007	9.0
594.13269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.3
61.98693	4.2
63.02258	2.3
65.00185	3.8
71.01236	2.9
71.58482	0.9
71.58851	1.2
72.99198	1.0
78.95767	2.7
78.98492	0.9
82.90332	0.8
83.01257	2.8
86.02354	1.4
87.00743	3.2
87.52389	0.8
89.02323	1.1
93.03326	1.4
96.95895	1.4
101.02283	2.3
107.01276	8.9
108.02094	1.1
109.02850	4.6
115.87778	0.8
119.04916	7.7
121.02842	6.2
122.72214	1.1
125.02351	1.5
139.03909	1.6
143.03427	0.9
145.02875	2.2
147.04395	1.6
148.01524	1.7
149.02406	1.2
150.99115	1.8
151.00269	27.5
159.04419	1.2
161.55968	0.9
163.00262	5.2
163.03929	8.5
169.01341	3.3
170.59792	0.8
175.03835	1.2
178.99780	13.9
183.04445	1.3
187.03864	1.4
198.21623	0.8
199.03906	3.1
201.01707	1.0
211.03920	1.6
216.04166	0.9
227.03412	3.7
229.04897	1.9
243.02998	10.0
245.04443	2.7
255.02937	21.8
256.03470	1.2
271.02463	42.5
272.02957	3.9
273.03912	2.1
283.02441	3.2
285.04062	1.2
299.01926	12.3
300.02734	62.5
301.03506	100.0
302.03922	6.0
429.08221	4.5
447.09427	8.5
508.94354	1.0
593.12946	37.3
593.27808	2.1
594.13397	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	593.1301
Annotation	Kaempferol-3-Glucoside-2''-p-coumaroyl
Peak:m/z	Relative Intensity
53.69683	0.4
57.16244	0.3
59.01255	2.1
61.98721	0.9
63.02279	1.1
65.00203	1.1
69.43054	3.0
71.01264	1.1
72.99196	0.5
75.00778	0.5
78.95805	0.8
83.01263	0.6
88.74059	0.3
89.02325	0.4
96.45994	0.3
96.95905	2.1
98.19815	0.6
101.02312	0.8
107.01268	2.4
109.02842	1.2
111.21128	0.4
116.92754	1.2
117.03344	5.6
119.04910	2.6
121.02846	1.0
121.16940	0.3
123.00764	0.6
125.02341	2.1
133.02849	5.5
135.04443	0.5
137.02324	0.8
141.25220	0.3
145.02843	11.2
146.03200	0.7
149.02341	1.6
151.00259	4.8
163.03912	1.4
165.05461	0.6
168.00644	0.5
169.01335	1.5
169.38913	0.3
175.03906	2.7
178.99673	0.4
185.06041	0.6
198.03033	0.4
199.03952	2.5
201.01823	1.0
205.68553	0.4
211.03993	0.6
213.05472	0.9
217.04944	1.3
227.03453	0.9
240.04184	0.5
241.04979	0.9
243.02859	0.6
255.02921	1.2
256.03717	1.6
257.04498	0.5
267.03091	0.6
271.04770	0.7
283.02600	0.8
284.03262	15.8
285.04016	100.0
286.04358	6.7
299.01913	0.4
301.03461	0.5
307.08359	0.5
327.05090	0.5
428.10562	1.3
429.10565	1.3
447.09122	2.6
448.09528	0.7
473.05536	1.0
496.11859	0.4
593.12878	51.4
594.13232	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	593.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.9
61.98702	1.1
63.02256	2.7
65.00195	4.2
67.34966	0.4
71.01247	1.7
71.15619	1.0
72.99184	1.0
73.02812	0.5
78.95758	2.1
83.01248	3.5
87.00761	1.2
89.02327	0.6
93.03352	1.6
95.36987	0.4
96.95885	0.4
101.02316	0.9
107.01273	7.9
107.01952	0.7
108.02087	1.2
109.02829	5.6
117.03344	1.0
119.01308	0.6
119.04920	9.0
121.02838	7.3
123.00813	0.5
125.02341	1.5
128.22137	0.4
134.03664	0.5
135.00793	0.9
137.02292	0.4
139.03912	0.8
145.02861	2.2
147.04413	0.7
148.01584	1.3
149.02345	1.3
151.00278	27.3
152.00623	0.7
152.99478	1.2
153.01862	0.5
159.04419	1.5
161.02367	0.5
163.00288	5.6
163.03914	8.8
164.01147	0.9
165.01900	2.3
169.01378	3.9
171.04451	0.8
175.03928	0.8
178.99789	15.4
179.03561	0.4
180.00145	1.2
183.04449	1.1
187.03949	1.4
189.01964	0.5
190.99826	1.1
192.00610	0.7
193.01329	0.5
199.03835	2.3
201.01846	1.0
201.05472	1.0
203.03409	0.9
209.11755	0.9
211.03972	3.0
211.13393	0.5
212.04678	0.6
213.01839	0.5
214.02678	0.6
215.03407	1.5
215.60408	0.4
217.04829	0.7
226.02643	1.2
227.03458	4.9
229.01120	0.5
229.04999	2.4
239.03479	0.8
243.02965	7.7
245.04460	3.2
249.14709	0.7
254.02246	1.3
255.02951	23.0
256.03394	1.7
257.04617	0.9
266.02167	0.6
271.02466	42.9
272.02890	5.1
273.04047	2.7
282.01581	0.5
283.02573	2.4
284.03143	0.6
285.04010	1.5
285.07672	3.7
299.01935	11.8
300.02737	61.4
301.03510	100.0
302.03854	7.8
307.08362	0.5
429.08212	4.1
447.09277	8.8
448.09784	1.0
593.12958	34.0
594.13391	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	593.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42519	0.2
59.01248	0.2
59.65406	0.2
60.99180	0.2
61.81747	0.2
61.98696	0.4
65.00208	0.2
76.03056	0.2
77.03843	0.2
91.01768	0.2
95.89811	0.2
99.18858	0.2
120.02084	0.6
121.02840	100.0
122.03177	2.8
123.00784	0.2
136.01555	0.4
165.01831	4.1
180.05681	0.4
181.06526	2.6
197.05960	1.5
207.04503	0.8
207.08247	0.2
208.39507	0.2
209.04488	56.0
210.04834	2.4
223.03908	0.2
225.05460	1.4
230.88239	0.2
251.07063	0.3
257.09753	0.5
274.76328	0.2
285.09122	0.3
301.08768	0.3
313.07111	1.7
329.08228	0.2
357.06073	1.0
358.91223	0.2
383.07635	1.0
401.08615	0.4
417.09775	1.2
496.38168	0.2
505.11377	2.4
506.11581	0.3
549.10382	6.0
550.10522	0.8
593.12952	9.7
594.13373	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	592.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.8
59.01250	4.9
65.00198	6.5
65.99693	3.3
67.01759	1.8
67.51137	1.6
69.69107	1.5
71.01240	6.5
71.58285	3.8
72.99189	2.7
73.29722	1.6
87.00735	2.6
87.17162	1.6
93.88334	1.7
95.01264	7.4
96.95845	3.0
107.01252	6.3
109.02837	11.0
111.00745	6.9
118.02864	13.1
119.01274	1.9
121.02807	2.5
123.00793	9.7
123.51978	1.9
124.01649	1.6
125.02331	25.1
127.00241	3.0
134.02368	3.6
136.98715	5.0
137.02336	33.7
137.96555	2.2
139.00276	6.9
139.03899	3.7
140.01088	8.9
144.05682	3.0
146.02370	5.9
151.00278	4.2
153.01799	2.9
159.08046	1.9
161.02309	2.6
162.01863	4.5
163.00284	16.4
163.02638	5.3
164.03444	18.7
168.00562	13.1
169.01332	38.5
170.01619	2.1
176.54494	1.8
177.09097	6.7
178.99843	2.5
181.01352	12.3
183.02832	2.6
190.01370	31.7
197.02399	2.1
208.02475	7.6
211.02371	19.6
211.04156	2.5
241.01384	5.9
243.02835	1.8
245.01041	4.1
255.02980	4.8
270.01706	6.2
271.02695	2.8
271.04700	24.7
272.05173	1.9
283.02234	2.8
289.07089	2.4
297.06229	5.1
298.01196	2.8
299.01938	7.4
300.02701	6.0
301.03574	5.0
310.05905	1.9
313.05740	5.1
314.05927	2.1
331.06607	5.4
385.13004	3.6
399.07147	2.4
445.15189	2.7
463.08563	3.7
510.04327	1.9
551.17712	7.0
552.18298	10.9
554.19592	17.7
556.19989	2.9
565.19043	4.9
574.19208	7.8
592.20416	100.0
593.12445	7.6
593.21588	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	591.2613
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
60.51274	0.6
71.37239	0.6
77.42994	0.6
96.25732	0.6
106.06532	0.7
108.30032	0.6
110.16649	0.6
189.67912	0.6
231.87381	0.7
443.22440	2.2
445.19888	1.4
455.22571	0.8
456.23114	0.8
457.20691	0.9
459.21756	1.7
462.20239	0.9
471.25409	2.1
472.22617	2.1
473.23474	1.4
482.21280	2.1
483.22028	0.9
485.19864	2.7
486.20282	0.9
487.24857	2.5
489.22940	1.0
497.23450	3.9
498.24097	0.7
499.21582	3.7
500.22192	13.9
501.22482	1.6
514.24158	0.9
515.24524	100.0
516.24841	18.8
559.23615	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	2.0
56.98714	1.2
57.03323	2.7
58.00478	1.7
59.01248	32.1
63.43691	1.1
67.82322	1.1
69.03324	4.2
71.01250	48.1
72.99182	5.8
73.02816	12.4
75.00748	2.8
78.95770	7.6
81.03332	1.3
83.01249	4.6
85.02819	10.8
87.00736	4.1
89.02309	35.8
95.01243	3.4
96.95868	1.4
97.02837	6.2
99.00755	10.9
101.02318	19.1
108.16541	1.1
113.02324	10.0
115.03880	3.3
115.05386	3.1
117.03387	1.8
119.03423	1.6
119.04905	2.3
121.02820	2.4
124.08999	1.1
125.02332	17.3
131.03397	4.4
136.97864	1.3
137.02318	1.4
139.11172	1.9
143.03386	2.8
145.02887	1.5
149.04453	4.6
151.00243	2.8
152.99512	3.8
154.99721	1.3
159.02843	1.6
161.04463	8.4
163.03929	3.8
169.01372	1.2
171.10175	10.7
191.05537	3.3
201.11200	9.9
202.61557	1.2
209.11748	3.7
219.17543	3.5
221.15347	2.2
227.12848	1.9
233.00810	3.8
233.06578	14.4
234.01221	3.1
237.18567	8.6
253.09212	2.7
255.02946	1.5
271.02435	2.6
293.08783	28.9
300.02805	5.0
301.03525	4.8
335.23923	1.5
363.12115	2.0
379.06812	1.8
381.07150	1.7
412.07593	2.6
413.07541	2.9
447.09229	8.5
531.28070	100.0
532.28497	17.2
559.14276	1.3
591.25330	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	591.1718
Annotation	Kaempferide 3,7-dirhamnoside
Peak:m/z	Relative Intensity
52.87281	0.3
53.63460	0.3
59.01258	0.4
61.91855	0.3
61.98734	0.3
62.89727	0.3
65.00197	0.6
70.72323	0.8
77.03844	0.3
79.01766	0.3
89.02332	0.3
93.03349	0.6
105.03371	0.4
117.03389	0.6
121.02832	1.6
123.04409	1.0
125.02351	0.4
132.02159	0.4
133.02870	1.7
135.00786	0.9
149.02316	0.4
151.00284	0.5
163.00293	1.2
164.01030	0.7
165.01855	3.0
167.47777	0.3
169.06467	0.6
173.05974	0.4
176.01047	0.4
177.01878	0.8
178.99820	0.4
181.06480	0.4
182.03658	0.4
183.02875	0.5
197.06027	2.7
201.05530	0.3
210.03342	0.3
213.05559	0.7
223.03990	0.4
225.05504	3.9
226.02725	0.8
226.05838	0.3
241.05017	3.5
253.05199	0.5
254.02180	1.1
268.03790	0.3
269.04544	50.3
270.04889	4.0
285.04123	0.7
297.04034	100.0
298.04556	17.0
299.05472	3.3
300.02551	0.5
300.05814	0.3
301.03473	1.0
311.87082	0.3
397.82632	0.3
444.10571	10.2
445.11346	6.4
446.11728	0.9
447.09436	1.6
487.12131	0.3
582.10571	0.3
591.17151	83.9
592.17523	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	591.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06956	1.3
58.48156	1.0
63.22357	1.1
63.88084	1.1
65.00181	1.2
69.56737	4.7
69.57164	3.9
72.93501	1.1
107.01266	4.3
109.02824	1.8
121.02838	3.4
148.20752	1.1
151.00255	20.0
163.00288	2.8
178.99803	11.3
190.99738	1.5
191.68893	1.1
227.03362	3.2
229.05156	1.2
243.02896	8.1
245.04535	1.7
254.01996	1.3
255.02975	21.5
256.03421	2.2
265.78653	1.4
271.02454	33.5
272.02786	3.0
273.04068	2.3
283.02295	1.7
299.02011	2.8
300.02725	85.3
301.03470	77.8
302.03793	3.4
343.23248	1.1
445.07382	2.0
447.09271	100.0
448.09650	9.9
472.77805	1.2
474.03674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.135
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00189	0.5
69.77010	2.7
69.77343	0.4
83.01265	0.8
98.20479	0.8
107.01263	1.9
109.02837	0.9
110.98935	0.4
121.02828	1.9
148.01445	0.6
149.02370	0.5
151.00279	10.0
163.00281	1.7
178.99797	5.1
227.03429	0.8
229.04962	0.8
242.74951	0.5
243.03015	2.4
245.04411	0.6
254.02077	0.7
255.00320	0.4
255.02945	8.5
256.03400	0.8
271.02426	15.0
272.03012	1.5
273.03983	0.8
283.02475	1.3
300.02725	48.4
301.03482	53.1
302.03815	2.9
325.40216	0.4
326.61102	0.4
420.76611	0.5
445.07730	1.1
447.09277	100.0
448.09644	9.9
448.15610	0.4
473.10934	0.5
591.13879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1142
Annotation	Robinetinidol-(4alpha->8)-dihydrorobinetin
Peak:m/z	Relative Intensity
57.03335	10.5
59.64198	5.4
60.74290	4.7
66.08978	5.4
67.62296	5.5
71.57948	9.1
83.01282	11.6
93.03321	9.5
96.95892	8.8
97.02796	7.3
99.00745	6.9
101.12340	6.3
109.02835	21.7
111.00749	20.8
119.04920	8.0
121.02847	15.0
123.00772	16.4
123.04375	15.2
125.02341	100.0
133.02840	12.2
137.02365	45.1
138.03130	8.3
139.00261	23.1
141.01833	14.4
149.02341	20.5
151.00241	16.7
151.03885	16.6
153.01854	14.8
161.02322	47.0
161.06032	7.9
163.00270	23.9
163.03903	9.7
164.01057	13.9
165.01820	11.9
166.02679	5.7
173.02373	6.2
175.03889	21.6
177.01849	77.9
178.45345	5.4
179.03230	6.0
187.04008	11.5
189.01929	6.0
189.83383	6.7
191.03496	9.7
193.01355	8.6
199.03841	7.6
201.01814	7.3
201.05542	9.2
203.03419	10.1
215.03423	11.9
217.05031	7.6
219.02945	14.5
229.04935	7.9
231.03090	9.3
243.02910	15.8
245.04503	12.2
255.02817	7.1
255.22992	5.9
257.04507	11.9
259.02490	26.7
261.03976	9.4
269.04684	8.3
272.03464	9.3
283.02536	6.7
285.04001	24.2
287.05627	7.6
289.07178	14.9
301.03662	8.5
303.04956	33.6
326.03906	6.9
407.07629	13.6
421.05554	15.7
423.07220	16.4
439.06607	29.2
441.08627	7.0
465.08160	9.4
482.96902	7.6
591.11353	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	589.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.9
69.85519	0.9
69.85937	1.4
72.99182	1.9
73.41711	0.4
75.00744	100.0
76.01086	0.7
77.88162	0.5
78.95770	2.2
96.95888	2.1
98.19894	0.7
109.76012	0.5
131.55594	0.5
138.42326	0.5
152.99489	0.7
153.80202	0.5
248.94389	0.5
277.21735	0.8
284.87674	0.5
441.28912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.7
57.03315	1.4
58.00456	5.3
59.01247	100.0
60.01566	1.2
61.98679	3.2
70.02837	1.3
70.91946	1.5
71.01249	66.3
72.67030	0.9
72.99178	7.2
73.02811	2.6
75.00764	0.9
78.95789	1.3
83.01250	3.1
83.04901	2.0
85.02821	12.1
85.06459	2.5
87.00732	3.4
88.03908	1.1
89.02311	84.2
89.47949	0.9
90.02638	1.8
95.01237	4.1
95.04922	1.7
98.02336	1.4
101.02314	49.2
101.36749	0.9
102.02629	1.1
108.08077	4.1
113.02319	26.4
115.07533	1.8
116.49683	0.8
119.03379	46.7
124.07658	1.0
126.09135	7.5
126.95958	0.8
128.10690	0.8
131.03348	3.9
138.09105	2.3
143.03394	5.8
149.04469	2.5
154.08646	1.2
156.10170	1.5
161.04489	6.6
166.08640	2.4
167.00986	1.0
179.05530	14.0
184.09743	1.5
216.63046	0.8
225.11156	1.0
225.22179	14.0
232.95630	0.9
240.19398	0.7
253.21635	2.5
267.48999	0.8
270.24399	1.7
271.22781	6.0
296.25967	5.3
324.25436	1.0
325.25870	0.8
360.42468	0.8
380.31729	1.7
392.31485	3.9
410.32721	47.2
411.33020	5.7
428.33777	18.0
429.34109	3.0
590.39063	66.0
591.39417	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	587.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91598	0.5
53.00798	0.5
53.01031	0.5
59.01245	1.4
61.98703	4.1
65.00179	0.6
67.01754	0.7
69.03327	1.8
70.23781	2.2
70.32196	0.6
71.01280	0.6
79.01740	0.6
81.03371	0.7
83.01247	0.8
83.16525	0.5
85.02825	0.7
89.03833	1.0
91.01731	0.5
93.03331	9.8
94.03647	0.6
95.01268	2.4
95.04921	1.1
96.95910	0.8
97.02831	2.0
100.92908	0.5
105.03410	0.6
107.01288	1.0
109.02837	14.8
110.03185	0.6
113.33473	0.6
117.03342	1.6
119.04894	2.1
121.02848	1.4
122.03578	0.5
123.00781	4.5
123.04406	11.8
124.01516	1.2
125.02335	57.2
126.02685	1.8
133.02873	5.3
135.04434	1.5
137.02341	0.9
139.00237	1.0
139.03853	0.8
140.01096	0.5
141.01906	0.6
145.02841	15.5
146.03203	0.9
147.04433	2.6
149.02368	2.4
150.03114	2.0
151.00287	2.1
151.03915	6.9
159.04449	1.2
161.02370	1.9
161.05968	1.2
163.00327	0.9
163.03915	1.6
165.01810	1.1
165.05452	0.9
166.99796	4.0
168.00533	1.6
169.01334	100.0
169.96597	0.6
170.01631	2.9
175.03964	0.5
176.00998	1.5
177.01848	49.6
178.02208	1.9
183.04269	0.6
187.03914	2.7
188.04594	0.8
189.01855	39.6
190.02606	10.0
191.03406	8.8
193.01363	7.0
195.06512	0.6
201.01927	4.0
203.03391	5.0
203.07126	0.7
213.05486	0.6
215.00131	0.8
216.00587	6.0
217.01366	33.8
218.01979	2.9
219.02934	12.7
220.03157	0.6
227.07121	1.0
229.04970	3.3
231.02951	11.2
232.03529	1.5
241.05003	4.1
245.08151	0.9
255.02982	0.7
259.06213	1.0
269.04489	2.2
271.02524	2.2
271.06107	12.3
275.05573	1.9
277.04654	0.7
279.06885	0.7
281.04565	2.0
283.06073	6.4
289.07199	3.3
295.06143	0.9
297.04337	0.5
297.07620	1.9
299.01944	2.3
300.02759	3.6
301.03519	2.8
305.04587	1.4
311.05557	7.8
312.05664	0.9
323.05576	25.8
324.05933	2.2
325.03522	1.1
339.04947	0.6
341.06628	69.6
342.06940	5.9
417.09784	9.3
418.10214	1.6
433.09225	1.6
435.10806	92.9
436.11139	9.9
445.07385	1.1
447.09454	4.0
461.08661	0.7
471.31796	0.5
477.08286	3.9
587.11884	7.1
588.12000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84174	0.7
59.01242	1.4
59.01572	0.6
61.98698	1.5
69.03319	1.9
69.03902	0.6
71.01245	1.0
71.58337	1.1
72.99168	0.6
73.02819	0.7
78.95759	0.6
83.01254	1.0
89.03851	0.7
93.03336	5.7
95.01265	1.4
95.04888	0.7
96.95857	0.8
97.02808	1.4
105.43743	0.6
107.01246	1.0
109.02825	10.6
109.98578	0.6
111.00742	1.2
117.03342	1.4
119.04914	1.8
121.02831	1.5
123.00748	3.6
123.04408	8.6
124.01520	1.5
125.02331	54.3
126.02648	1.3
132.55289	0.6
133.02838	1.6
139.00252	0.8
145.02853	9.7
147.04422	1.3
149.02301	1.7
150.03166	1.4
151.03914	7.7
159.04390	1.5
161.02312	1.1
161.05959	1.1
165.01825	0.8
166.99803	3.8
167.22513	0.7
168.00539	2.7
169.01329	100.0
170.01746	3.3
175.03908	1.2
176.01022	0.7
177.01846	26.0
178.02180	1.1
185.05917	0.8
187.03937	3.1
188.04649	1.1
189.01851	19.2
190.02641	6.6
191.03372	4.2
193.01357	9.3
201.01762	1.2
203.03456	2.1
213.05569	0.9
216.00536	4.9
217.01352	15.7
218.01974	1.4
219.02892	7.0
222.01617	1.0
227.07033	1.4
229.05023	4.7
229.08676	1.3
231.02931	5.7
241.05084	1.5
245.08051	0.8
253.05081	0.8
259.06061	1.4
271.06113	9.7
272.06500	1.5
273.20755	0.8
275.05710	1.1
280.03638	0.6
281.04550	5.6
282.04889	0.8
283.06079	4.4
285.04166	0.7
289.07166	2.3
293.99741	0.7
295.05823	0.7
297.07608	3.4
303.05127	4.2
306.66580	0.7
311.05591	3.8
323.05521	8.6
324.05914	0.9
341.06613	57.9
342.06992	5.4
376.05707	0.9
417.09784	6.6
418.10147	0.8
435.10825	46.7
435.25955	1.2
436.11176	6.0
477.08081	3.2
527.13300	0.7
587.12024	7.3
587.27112	2.7
588.12445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.8
61.98685	0.5
61.99841	0.4
66.29082	0.4
66.87674	0.4
69.03333	2.0
69.74956	2.3
79.01765	1.1
81.03331	0.6
83.01252	0.7
85.02917	0.3
85.13725	0.5
89.03850	1.2
89.09840	0.4
93.03337	8.3
94.03677	0.4
95.01233	1.0
95.04852	0.5
95.64302	0.4
97.02834	1.8
107.01276	0.8
109.02834	12.7
111.00716	0.4
117.03361	2.3
119.04947	2.0
121.02846	1.6
122.03632	1.4
123.00774	3.3
123.04414	9.6
125.02337	51.6
126.02670	1.6
133.02863	4.8
135.00842	0.4
135.04387	0.7
137.02371	0.7
139.03885	0.5
145.02863	13.3
146.03276	0.7
147.04420	2.4
149.02325	2.8
150.03125	8.1
151.03897	5.4
155.10667	0.6
159.04408	1.7
161.02361	1.4
161.05966	1.1
161.60283	0.4
162.02985	0.4
163.03941	0.8
165.01871	0.6
165.05481	8.7
166.06042	1.4
166.99782	3.5
167.65100	0.4
168.00548	0.8
169.01343	100.0
170.01715	2.6
175.04004	0.5
176.01141	0.8
177.01851	46.3
178.02213	1.8
181.08598	0.9
185.05978	0.6
187.03949	2.9
188.04593	0.6
189.01863	37.1
190.02617	8.2
191.03421	8.0
193.01358	5.6
195.06558	6.4
196.06938	1.0
201.01849	2.9
203.03432	4.0
203.07048	0.6
205.01506	0.6
216.00595	5.6
217.01369	30.4
218.01918	2.6
219.02939	12.6
225.05693	0.5
227.07037	0.8
229.05042	2.1
231.02957	9.9
232.03413	0.6
241.05078	2.8
245.08267	0.8
251.07155	0.6
253.05034	0.9
253.11464	0.4
255.06653	0.5
259.06134	0.8
269.04526	1.7
271.06113	11.4
272.06403	0.9
275.05502	2.0
277.05124	0.5
279.06464	0.7
281.04480	2.1
283.06036	5.7
284.06772	0.6
289.07141	3.4
295.06042	0.7
297.07724	1.3
303.05258	0.5
305.04480	0.7
308.03143	0.5
311.05640	7.4
312.05914	0.7
323.05588	20.1
324.05988	1.7
339.05280	0.5
341.06635	61.5
342.06970	5.1
383.04208	0.6
417.09793	12.8
418.10242	1.4
433.09055	0.6
435.10828	87.3
436.11145	8.3
437.08707	0.6
440.26993	0.4
461.08774	1.2
477.08234	3.5
478.08350	0.4
484.67313	0.5
587.11896	18.0
587.31036	0.9
588.12317	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	586.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	1.4
78.95771	36.3
96.96835	0.8
152.99477	4.0
168.04210	5.2
207.91910	0.7
213.98538	0.6
224.06859	11.2
229.71275	0.7
242.07887	2.2
262.65826	0.7
279.23273	100.0
280.23587	9.6
306.06000	1.3
504.30945	59.0
505.31302	7.4
586.30170	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	585.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82730	0.4
51.98409	0.4
52.20219	0.4
56.69137	0.5
69.40604	2.4
69.41013	0.9
73.76234	0.4
89.25893	0.4
92.28315	0.4
93.03345	2.9
98.19741	0.7
107.01276	0.9
109.02803	0.4
115.17593	0.4
119.04891	1.6
121.02831	4.4
122.03616	12.7
123.00755	1.3
124.01601	0.6
125.02341	6.1
133.02837	1.4
136.01575	1.0
137.02379	0.6
149.02339	17.3
150.03122	89.8
151.00275	1.5
151.03439	3.7
164.04697	3.8
165.05476	100.0
166.05804	4.0
168.00578	0.6
169.01315	6.4
170.01613	0.4
180.04173	5.3
181.04507	0.7
195.06546	75.1
196.06866	3.4
222.48901	0.5
226.29060	0.5
242.09413	0.5
245.12027	0.5
257.11813	0.6
270.05865	0.4
270.08960	1.9
285.11270	1.7
286.08209	0.5
298.08408	1.0
299.09229	1.7
311.09161	0.6
313.05566	1.2
313.10931	0.7
314.07852	1.6
325.10706	1.2
326.07907	0.7
327.12292	0.6
329.10266	4.1
340.13208	0.6
341.10318	6.4
342.10568	0.9
343.46106	0.5
344.12616	6.0
345.12909	0.6
355.11713	0.4
356.12640	2.1
359.14969	19.4
360.15329	2.3
371.10373	0.9
371.14941	15.0
372.10706	0.4
372.15240	1.9
433.11542	2.5
507.20175	1.0
537.21472	1.6
573.36646	0.5
585.12415	9.2
585.22198	0.8
586.12866	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	585.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19926	0.9
59.00998	0.8
59.01250	6.5
61.98698	2.3
71.01241	5.8
71.58132	1.8
72.99176	3.0
73.02821	1.7
74.64478	1.1
79.01753	1.3
83.01264	2.0
85.02838	2.0
87.00762	1.4
89.02309	2.0
90.50997	0.9
95.01265	2.4
97.02841	1.9
97.23009	0.8
101.02325	5.1
107.01254	5.8
109.02802	1.6
111.00742	2.6
113.02324	1.0
123.00765	18.1
124.01550	1.5
125.02330	24.6
127.00248	1.2
133.02850	1.1
136.98682	2.1
137.02261	1.2
139.00247	7.0
140.01036	4.1
141.01810	3.0
151.00276	13.3
151.03889	1.9
153.01848	1.1
168.00526	5.3
169.01329	29.6
170.01692	1.1
199.03903	2.5
215.03462	1.1
227.03497	0.9
243.03105	1.4
255.03018	1.3
271.02432	11.2
272.02588	1.1
285.03925	3.2
292.97495	1.0
299.01935	23.0
300.02347	3.4
313.05704	2.1
423.18546	2.0
472.25278	1.1
550.66278	1.1
585.29138	100.0
586.29474	16.1
588.59290	1.0
614.53510	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58804	0.2
59.01270	0.3
61.98692	0.9
70.45407	0.5
70.45779	0.6
76.36332	0.3
93.03331	4.2
95.01249	0.5
95.04900	0.6
96.95879	0.8
101.02313	0.3
105.03347	0.4
108.02029	0.6
109.02844	0.6
118.42670	0.3
121.02843	5.9
122.03622	14.3
123.04496	0.5
124.01530	0.6
125.02291	0.5
132.02060	0.6
133.02849	2.0
134.03629	0.8
135.04449	0.7
136.01561	1.5
137.02310	0.7
147.04411	0.5
148.01517	0.5
149.02341	38.4
150.03122	95.3
151.03442	4.0
153.05464	0.6
160.01617	0.7
163.03934	0.4
164.04694	7.9
165.05476	100.0
166.05815	4.9
169.01311	0.4
179.03345	0.3
179.07069	1.4
180.04201	6.7
181.04697	0.4
192.41553	0.3
194.09459	0.3
195.06549	69.4
196.06898	3.6
211.04082	0.3
212.04123	0.3
223.09666	0.6
224.79018	0.3
226.08377	0.5
241.08472	0.3
242.09422	0.7
257.11835	0.6
258.08868	0.4
267.06363	0.3
268.07281	0.5
269.04443	0.2
269.08136	0.3
270.08963	1.7
281.08411	0.4
282.08975	0.6
283.09906	1.4
284.06857	0.5
285.08084	0.5
285.11316	2.2
286.08453	0.7
295.09723	0.3
297.07916	0.5
297.11206	0.6
298.08502	1.4
298.11591	0.4
299.09207	2.2
299.12857	1.4
300.09503	0.3
301.10690	0.6
310.08279	0.7
311.09225	1.2
313.07419	0.4
313.10880	1.3
314.07922	2.0
315.08386	0.4
323.09286	0.4
324.10144	0.4
325.10800	1.2
326.07895	1.0
326.11606	1.1
327.12338	4.5
328.13089	7.6
329.10181	5.4
329.13550	0.6
330.11005	1.3
340.12772	0.4
341.10287	7.5
341.13910	0.6
342.10672	0.9
343.11926	0.4
343.15393	1.7
344.12582	8.0
345.13162	1.6
351.46002	0.3
355.11768	0.5
356.12613	2.8
357.13290	0.6
359.14984	23.0
360.15390	2.0
371.14938	17.9
372.15274	1.6
373.83667	0.3
417.13367	0.4
461.16107	1.2
463.17566	1.3
492.17847	1.1
493.18872	0.4
507.20236	9.6
508.20352	1.2
509.21896	0.3
519.20288	1.6
522.18939	0.4
537.21246	45.7
538.21606	7.3
555.22467	0.3
585.23303	3.4
586.23822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00185	4.7
55.01749	3.6
55.89944	1.8
57.03332	2.9
59.01245	5.8
65.00195	9.2
67.01757	5.5
71.01239	7.6
71.57740	2.8
72.99172	4.6
75.00733	1.8
80.99682	7.1
81.03362	2.3
83.01261	18.1
85.02827	5.9
87.00732	13.0
89.02293	2.9
91.20171	1.5
92.99702	3.0
95.01264	15.2
97.02859	2.0
99.00759	4.3
101.02316	1.8
107.01273	2.5
108.99203	1.9
111.00759	100.0
112.01095	3.8
112.98694	3.1
113.02318	7.5
121.06484	2.1
123.00768	10.8
123.04385	2.4
125.02322	21.8
127.00264	19.6
129.01819	2.3
133.20059	1.7
136.98718	8.2
137.02321	2.6
139.00266	75.2
140.00751	3.1
141.01820	4.8
144.05714	2.2
149.02336	2.3
149.09642	3.2
150.03145	2.3
150.09755	1.7
151.00244	2.2
154.99780	30.1
155.42310	1.6
157.01237	3.4
157.03305	1.9
159.08029	2.6
162.03207	1.6
164.98181	4.1
165.05428	3.2
165.98787	1.6
166.99760	12.1
167.03412	2.4
168.00542	11.4
169.01349	29.2
177.01712	2.0
177.09067	11.5
178.09471	1.9
182.99263	36.5
183.99831	1.7
185.00812	3.8
203.10851	2.8
211.02403	20.7
221.11711	7.4
259.54364	1.8
271.04544	33.4
304.72562	1.7
313.05704	2.8
328.04382	2.4
331.06586	6.2
362.12802	2.0
387.10666	1.8
388.58389	1.7
475.55392	2.1
539.17389	5.7
541.19061	6.8
557.18622	3.4
567.08459	1.5
567.17120	39.1
568.17273	4.2
585.18597	15.4
586.18842	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	585.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30349	0.9
59.01246	3.4
59.42809	0.8
61.98701	6.4
67.01745	0.8
67.67422	0.7
69.03313	1.2
70.18317	1.0
70.18664	3.1
71.01250	5.3
73.02785	0.8
79.01765	1.5
83.01244	0.9
85.02821	2.0
87.00755	0.9
87.23965	0.8
89.02299	1.1
95.01246	2.7
97.02834	1.7
98.19810	1.3
101.02308	2.7
107.01267	11.5
108.01545	0.8
111.00739	2.4
113.02328	2.1
121.02863	1.1
123.00772	18.7
123.04391	0.8
124.01563	1.1
125.02332	75.1
126.02697	2.2
127.00243	1.3
136.98712	1.5
137.02319	2.0
139.00264	6.4
139.67245	0.8
140.01041	3.7
141.01880	2.4
143.04956	4.0
145.02887	1.1
148.16316	0.8
149.02263	1.2
150.03117	2.5
151.00253	13.2
153.01910	1.3
157.27170	0.8
159.08058	1.5
165.01855	2.7
165.05489	3.8
167.03448	1.0
168.00574	4.8
169.01331	96.1
170.01685	3.3
177.01845	1.0
178.99774	2.2
179.03372	1.5
181.06477	1.4
183.08095	1.9
185.05981	7.1
195.06602	1.8
208.05315	1.2
209.06024	3.0
211.02402	2.6
211.04141	0.8
223.02359	1.0
225.05455	3.0
227.07085	48.4
228.07413	3.4
241.03494	1.3
253.05048	29.7
254.05315	1.6
255.02882	0.9
270.99686	0.8
271.02322	1.7
271.06161	5.1
283.04654	1.6
300.02725	3.4
301.03528	6.1
313.05643	35.6
314.06061	2.0
433.07672	2.5
524.35425	1.5
541.13501	100.0
542.13782	14.2
567.11462	2.3
585.12482	75.2
585.25629	3.4
586.12732	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	585.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99860	0.5
57.03316	0.5
59.01248	2.1
61.98697	5.9
67.01775	1.0
68.99685	0.5
69.03335	1.6
71.01255	5.4
71.58509	0.6
72.99182	0.9
75.00749	0.6
79.01780	1.3
81.03325	0.6
83.01259	1.3
85.02828	2.0
87.00774	0.7
89.02322	0.9
91.36435	0.6
93.03326	1.9
95.01264	2.9
96.95864	1.3
97.02831	1.3
99.00682	0.6
101.02323	2.3
105.03419	0.5
107.01269	10.9
109.02831	1.9
111.00750	2.5
113.02328	2.3
119.04961	1.3
121.02856	2.6
122.03654	3.6
123.00771	15.1
123.01659	0.9
123.04383	0.9
124.01554	1.1
125.02329	72.8
126.02703	1.6
127.00243	0.9
133.02837	1.0
135.04420	1.6
136.98674	1.2
137.02351	2.6
139.00288	4.2
139.03937	0.7
140.01067	3.1
141.01820	2.7
143.04927	3.8
145.02837	0.9
146.03452	0.6
147.04393	0.6
149.02339	11.2
150.03127	24.7
151.00273	13.7
151.03798	1.7
153.01741	0.8
157.06544	0.7
159.08070	1.1
163.03923	1.3
164.04732	2.5
165.01846	5.9
165.05476	27.0
166.99741	0.6
167.03477	0.7
167.04910	0.6
168.00546	4.6
169.01329	100.0
170.01686	3.6
174.03174	0.5
175.03914	1.0
177.01820	1.3
177.15431	0.5
178.99667	0.8
179.03383	1.7
180.04231	1.9
181.06470	0.9
182.07292	0.5
183.08031	1.8
185.05991	8.9
190.06252	1.0
191.07127	0.7
193.01376	0.7
193.04977	1.3
195.02977	1.0
195.06552	12.3
196.06876	0.8
197.05952	0.7
207.06631	0.8
208.05247	1.0
208.07280	0.7
209.06113	3.2
209.07748	0.5
210.06453	0.6
211.02333	3.1
211.04120	0.6
223.02396	1.0
225.05508	2.5
227.07080	45.0
228.07396	3.2
241.03523	1.8
243.02834	0.8
252.03841	0.6
253.05086	27.3
254.05417	2.5
255.02811	0.9
271.02481	1.5
271.06235	7.5
272.06308	0.6
283.04578	0.6
285.03897	0.7
285.10730	0.6
300.02771	4.6
301.03552	3.9
313.05618	37.4
314.05988	2.2
327.12491	1.1
329.10455	1.1
341.10184	1.2
344.12598	1.3
345.13293	0.9
359.15015	9.0
360.15125	0.5
371.14926	1.7
423.07773	0.8
433.07318	2.9
434.07883	0.8
463.17645	0.6
486.24768	0.7
507.20187	1.8
537.21252	12.1
538.21393	1.3
541.13489	82.5
542.13843	12.9
567.11310	0.9
585.12469	64.6
586.12817	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	585.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03297	0.9
59.01230	1.2
59.70833	0.6
63.02250	0.6
66.13087	0.5
71.01241	2.7
71.58465	0.9
81.03306	1.3
83.01242	2.4
85.02809	0.8
93.03313	2.3
95.01285	0.9
96.22404	0.6
96.95864	0.9
97.02818	1.1
101.02338	1.2
107.01270	8.8
111.00745	1.1
113.02323	0.8
117.03306	1.5
119.04906	10.5
123.00753	7.1
124.01557	0.7
125.02330	33.3
137.02225	0.7
139.00220	1.9
139.03911	0.7
140.01021	1.4
141.01846	0.9
143.04918	15.9
145.02855	5.4
151.00256	16.6
153.01877	0.8
156.22607	0.6
157.06413	0.5
161.05936	1.4
165.01837	5.0
168.00510	3.0
169.01326	53.7
170.01657	2.0
177.01849	1.9
179.03391	0.6
180.51054	0.5
183.07997	0.9
185.05991	5.0
187.03969	1.2
194.99251	0.7
203.07043	2.4
211.02373	2.3
225.07588	1.0
227.07060	14.5
228.07419	1.2
241.03467	1.8
248.23434	0.5
269.04532	0.6
271.06122	12.7
272.06427	1.2
313.05634	29.3
314.05908	2.2
339.03677	0.8
348.61996	0.6
433.11176	5.2
434.11481	0.7
501.10217	2.3
516.84363	0.6
517.13361	2.6
541.13580	9.5
542.14020	0.7
585.12445	100.0
586.12726	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	584.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	2.1
60.00266	0.7
66.30686	0.5
71.56510	0.7
71.56908	0.7
78.95772	14.5
94.87022	0.5
125.09595	1.4
152.99426	1.3
168.04256	2.8
171.10231	1.0
187.09811	1.0
224.06967	3.5
229.93617	0.6
233.22568	0.9
242.08051	3.1
277.21707	100.0
278.22061	8.9
432.02484	0.7
502.29361	26.6
503.29578	4.2
584.28534	1.7
585.32184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	6.3
59.01250	1.9
59.21232	0.7
63.02275	2.1
68.99693	0.8
69.43366	2.6
69.43805	2.7
71.01245	3.1
75.83378	0.6
79.01758	0.6
81.03324	1.3
81.10635	0.6
82.79432	0.8
83.01246	6.4
85.02802	0.9
85.11989	0.6
85.94566	0.6
90.87167	0.6
93.03329	4.5
93.97063	0.5
95.01258	1.1
96.95908	0.7
97.02815	0.7
98.20510	1.0
101.02331	1.7
106.50112	0.6
107.00523	0.9
107.01260	18.3
111.00762	1.9
113.02359	1.1
117.03356	2.6
119.04044	1.3
119.04909	23.9
120.05289	0.8
121.02824	0.7
123.00761	9.0
124.01569	1.3
125.02332	100.0
126.02667	2.3
127.00259	0.7
130.89197	0.6
137.02309	1.5
137.18283	0.7
139.00310	2.2
139.03842	0.7
140.01053	2.1
141.01866	1.0
143.04921	1.0
145.02849	5.0
149.02350	1.9
151.00261	45.5
152.00592	1.5
153.01871	0.8
161.06006	1.9
165.01842	6.9
167.03432	2.0
168.00563	4.2
169.01332	76.7
170.01645	3.2
175.00284	1.9
177.01892	3.1
185.05977	1.4
185.43063	0.6
187.03934	1.9
193.01323	1.4
211.02432	8.5
227.07173	1.6
229.05002	0.9
241.03529	1.8
253.03427	0.9
269.04303	0.7
271.06348	21.2
272.06421	1.3
313.05630	63.0
314.05902	4.4
423.07199	1.2
439.08774	54.3
440.09015	4.2
465.06589	5.0
466.06961	0.9
491.08069	4.2
585.12445	100.0
586.12860	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	583.2754
Annotation	Ouabain
Peak:m/z	Relative Intensity
55.01746	0.7
59.01253	2.7
63.04927	0.5
67.01741	1.4
69.03323	0.8
71.01263	2.7
71.57726	0.7
72.99171	1.2
73.02816	1.0
74.27074	0.5
75.92234	0.5
79.01749	1.1
83.01257	2.1
85.02821	1.4
87.00724	0.8
89.02309	0.8
95.01247	2.8
97.02802	1.2
99.00746	0.8
101.02306	2.3
107.01254	4.3
111.00755	3.3
113.02333	1.2
119.04935	0.6
123.00771	19.3
124.01590	0.8
125.02332	18.6
126.02718	0.7
127.00238	1.1
127.38717	0.6
135.04457	0.7
136.98726	2.7
136.99637	0.5
139.00258	6.0
140.01068	4.4
141.01871	3.0
151.00261	12.2
153.01819	1.3
163.03894	0.7
168.00548	4.2
169.01335	22.5
211.02324	1.2
246.39026	0.5
269.21231	0.8
431.26599	2.5
583.27539	100.0
584.27832	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	583.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62632	0.8
59.01238	2.5
61.98691	4.5
64.64555	0.9
67.01759	1.2
68.99683	19.1
70.45074	3.1
71.01250	1.8
72.99147	1.6
75.00749	1.4
78.95799	0.8
81.03337	1.0
89.02313	1.0
90.82020	0.7
93.03335	1.0
95.01250	2.4
95.77137	0.7
96.95887	1.1
98.20599	0.8
99.13515	0.8
101.02283	1.1
104.12557	0.8
106.79999	0.9
107.01231	1.4
108.02049	27.9
109.02856	7.3
113.02315	1.2
117.03311	1.7
119.04903	4.3
121.02833	2.9
122.03667	4.1
123.00762	12.6
123.03529	1.4
123.04411	27.4
124.04707	0.9
125.02356	4.1
126.14685	0.8
132.02077	4.4
133.02798	2.4
134.03575	2.0
135.04416	2.6
136.01593	1.3
137.02283	1.6
138.03117	44.5
139.03717	1.1
145.02835	4.0
147.04407	3.6
148.01570	2.1
149.02347	1.0
149.05963	1.1
150.03131	16.9
151.00272	2.7
151.03777	1.4
153.01817	1.8
153.05461	1.3
160.01534	3.0
161.02339	15.0
162.03128	31.2
163.03917	16.6
164.01120	1.0
164.04584	1.2
165.01892	1.5
165.05469	5.8
167.03384	2.3
169.01295	1.0
173.83147	0.9
175.03960	1.1
176.45198	0.8
177.05470	45.0
178.02626	37.7
178.05847	2.3
179.03329	5.9
185.06197	1.0
193.04984	100.0
194.05452	6.3
195.06482	3.2
197.05931	0.9
209.08127	2.4
209.11618	1.8
213.05556	1.9
225.05482	3.0
240.07944	2.4
241.05029	2.0
256.07397	2.5
257.11795	1.0
267.06613	1.0
270.09009	3.1
271.06131	2.2
271.09753	8.8
285.04102	1.9
285.07739	1.8
285.11279	2.7
297.06122	1.0
298.08514	1.1
299.09134	3.0
301.10745	1.5
311.09186	1.2
314.07965	2.2
326.07980	1.9
329.10229	8.0
339.08719	1.0
341.10147	8.7
342.10989	1.1
344.12576	10.9
356.12515	5.6
357.13159	1.4
359.14981	14.4
360.15271	1.3
367.62329	0.9
371.15015	6.7
387.98877	0.9
544.73114	0.9
553.20618	2.1
583.14642	1.6
583.21838	39.1
584.22357	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	583.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.3
61.98711	1.6
65.00198	0.7
68.78902	0.6
71.01278	1.0
75.00748	3.5
78.95768	0.6
93.03323	4.8
95.01293	0.9
96.95884	4.3
98.20488	1.5
107.01264	0.7
108.02060	1.1
109.02837	1.6
117.03313	0.7
118.59814	0.6
119.04895	0.8
120.43678	0.6
121.02838	12.8
122.03627	16.7
123.00785	1.0
123.04412	1.3
124.01573	1.3
125.02348	1.7
132.02090	0.9
133.02864	1.8
134.03601	0.9
135.04407	8.7
136.01547	12.2
137.02332	3.5
139.03873	0.9
145.02835	1.2
147.04398	2.2
149.02341	30.1
149.05928	1.4
150.03123	89.8
151.00264	3.3
151.03932	17.1
152.01042	1.3
154.02667	0.7
157.46059	0.6
160.05180	0.6
161.02316	0.7
161.05916	0.9
162.03165	0.7
163.03899	3.3
164.04686	7.5
165.05479	100.0
166.02626	9.7
166.05803	4.3
167.03477	3.8
169.01366	0.8
172.05174	1.4
173.06100	0.7
174.03065	0.8
175.03914	4.6
175.07530	0.7
177.01816	1.4
177.05470	0.8
180.04182	6.5
181.04979	11.7
187.03889	1.0
189.05466	3.7
190.06256	6.1
191.03398	1.1
192.04236	0.8
193.04930	0.8
195.06555	56.2
196.06889	2.5
205.08604	2.1
233.03401	0.6
255.02882	0.6
276.01614	0.6
282.05270	1.6
285.03940	0.8
297.07697	0.7
309.07626	0.8
315.08713	1.1
325.06964	0.6
329.10312	3.7
342.10889	1.1
356.12582	1.9
357.09576	2.4
357.13318	10.1
358.09409	0.8
358.13641	1.3
369.13318	1.2
372.11914	2.0
373.12753	2.0
385.26550	0.6
386.13620	1.2
387.14471	26.5
388.14880	3.3
391.04517	1.5
422.03052	0.6
479.40887	0.7
505.18533	6.6
517.18817	1.5
535.19696	47.5
536.20001	6.2
553.20435	0.8
583.08759	2.9
583.22064	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	583.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46896	0.2
53.66581	0.3
54.09903	0.3
54.10440	0.3
59.01254	1.0
61.98709	0.9
68.01482	0.3
71.01246	0.8
71.58695	0.5
75.00747	4.5
83.01294	0.3
87.04395	1.3
89.02338	0.3
93.03335	3.5
95.04890	0.3
96.95886	0.5
101.02355	0.5
108.02077	0.5
109.02838	0.9
121.02838	5.0
122.03627	12.4
123.00791	0.8
123.04483	0.4
124.01532	0.7
125.02359	1.0
131.46611	0.3
133.02855	1.4
134.03677	0.5
134.37283	0.3
135.04396	0.9
136.01558	6.6
137.02316	1.3
139.03914	0.4
139.84247	0.3
145.02809	0.4
147.04361	0.5
149.02348	16.6
150.03130	86.9
151.00302	1.9
151.03926	7.6
156.57751	0.3
160.05215	0.5
161.02379	0.3
163.03882	0.3
164.04707	3.3
165.05482	100.0
166.02637	4.6
166.05803	4.1
167.03362	0.6
169.01360	0.7
175.03894	1.0
177.01949	0.3
177.05487	0.3
180.04210	6.3
181.04993	6.2
187.03937	0.4
189.05472	0.8
190.02658	0.3
190.06271	1.0
195.06558	64.1
196.06918	3.2
206.05832	0.5
221.08150	0.6
243.03146	0.4
285.04230	0.4
329.10208	0.4
342.11053	0.8
357.09573	1.5
357.13443	7.3
358.13788	0.7
369.13309	0.4
372.12070	0.8
373.12936	0.6
387.14490	12.5
388.14746	1.3
505.18405	0.6
517.18939	0.3
535.19623	2.1
536.20007	0.3
545.40717	0.4
583.20819	0.6
583.29034	0.4
611.92035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09634	0.4
59.01246	2.9
61.98703	2.7
71.01262	2.5
83.01271	1.0
85.02835	0.9
89.02328	1.4
93.03325	5.0
94.36035	0.4
95.01252	0.7
96.95901	0.9
98.20647	0.8
101.02329	1.2
105.03400	0.4
107.01260	0.5
107.04901	0.4
108.02095	0.7
109.02838	1.0
113.02329	1.1
119.04910	1.6
121.02829	5.8
122.03629	14.4
123.00749	1.4
123.04387	1.6
124.01581	0.7
125.02342	1.9
133.02840	1.5
134.03622	0.6
135.04437	1.4
136.01575	2.6
137.02307	2.0
145.02824	1.4
146.03584	0.6
148.01561	0.6
149.02347	34.1
150.03130	99.3
151.00243	5.0
151.03575	3.7
159.04413	1.0
160.01607	0.6
161.02347	1.0
162.03056	0.5
163.00246	0.9
163.03923	2.2
164.04697	6.6
165.05479	100.0
166.02618	0.6
166.05803	4.3
169.01324	1.6
175.03917	1.3
176.04752	0.6
177.01796	0.6
177.05484	2.8
178.99825	1.1
179.03445	0.9
179.07089	0.8
180.04202	7.2
181.04900	0.6
181.79982	0.5
194.05760	0.6
195.06560	57.2
196.06880	2.3
199.03981	0.7
204.04208	0.5
209.08066	0.8
215.10580	0.5
220.07442	0.7
220.85991	0.6
227.03473	0.9
229.05037	0.7
231.90100	0.5
240.07913	1.1
243.02957	1.2
255.02927	3.0
267.06577	0.6
268.07346	2.5
271.02484	5.5
279.06592	0.9
279.10287	0.5
280.07404	1.0
283.02679	0.7
283.06683	0.6
283.09756	2.0
284.06696	0.7
285.04236	0.6
287.22397	0.9
293.08105	0.8
295.06049	0.9
296.06876	0.9
296.88959	0.6
297.07651	1.0
297.11273	1.7
299.09088	1.1
300.02753	15.0
301.03482	10.9
301.06860	1.2
302.03796	0.9
307.09714	2.0
308.06958	1.1
308.10468	1.6
309.07617	1.0
310.08377	0.7
311.05872	0.6
311.09262	1.2
312.06387	2.1
312.09668	0.6
313.10861	0.9
317.06644	3.0
322.08707	1.1
323.09329	3.3
323.12582	0.8
324.06210	1.4
324.09872	1.3
325.07278	0.7
325.10654	3.0
326.07913	0.8
326.11487	4.9
327.08646	5.6
328.09451	0.8
338.11514	1.3
339.08615	8.7
339.12402	1.8
340.08871	0.8
341.13907	1.1
342.11081	5.4
343.11517	1.1
353.10327	0.7
354.11105	3.2
355.11618	1.2
357.13422	19.4
358.13699	2.1
369.13406	20.6
370.13651	2.3
387.14313	1.2
431.26422	2.0
447.09290	19.5
448.09656	2.6
449.27368	2.1
457.12674	0.8
461.15970	1.0
472.14871	0.8
487.17557	1.5
505.18634	6.0
506.18738	0.8
517.18420	1.5
523.34637	4.3
535.19702	33.7
536.19946	4.9
553.20685	0.8
583.22229	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	583.1092
Annotation	2''-O-Galloylisovitexin
Peak:m/z	Relative Intensity
50.48862	0.2
54.33796	0.2
59.01244	0.2
63.02263	0.5
69.69529	0.9
70.20499	0.2
71.01232	0.2
83.01249	0.4
90.72945	0.2
91.01759	0.4
92.39430	0.2
93.03327	2.2
98.20515	0.3
98.81856	0.2
107.01282	1.7
107.04887	0.3
109.02819	0.9
117.03342	0.3
119.04900	0.3
123.00763	0.4
125.02325	0.5
131.04941	0.3
135.00757	0.8
137.02312	0.3
143.04947	1.0
145.02852	0.4
145.06531	0.2
151.00247	0.9
153.01808	0.5
154.04172	0.2
155.04877	0.4
156.05669	0.3
157.06467	0.5
159.04405	1.7
161.05881	0.2
162.98988	0.2
163.00266	2.5
165.01807	0.4
167.04929	0.6
168.05635	0.3
169.01329	0.7
169.06517	0.9
171.04430	0.6
173.06013	0.4
182.03629	0.2
183.04430	0.5
184.05173	0.2
185.06003	2.6
187.03944	3.4
188.04276	0.3
189.05455	1.0
194.14117	0.2
195.04413	0.6
196.05223	0.4
197.06017	1.1
199.03979	0.9
201.05464	0.7
211.03932	1.6
212.04527	0.2
212.61961	0.2
213.05536	2.2
214.02681	0.2
215.03407	0.3
223.03963	0.2
227.03424	2.2
229.05000	11.7
230.05325	0.7
239.03473	1.5
240.04208	0.7
241.04927	1.4
243.02924	0.5
255.02986	1.0
256.03775	1.0
257.04507	6.5
258.04776	0.5
267.02957	0.7
284.03265	0.7
285.04019	100.0
286.04373	8.3
297.06088	3.0
300.02695	0.2
386.99329	0.2
431.26404	0.2
437.98926	0.2
447.09140	0.3
449.27820	0.2
583.10687	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	583.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53531	0.5
59.01251	4.1
61.98674	1.5
63.02232	0.6
71.01239	3.2
71.58434	0.8
72.99156	0.8
75.00721	0.6
83.01260	0.8
85.02821	0.9
86.60326	0.5
89.02316	1.7
93.03345	1.4
95.01244	1.0
96.95877	5.5
99.00785	0.6
101.02297	1.6
107.01272	1.2
109.02841	1.3
110.41296	0.6
113.02300	1.0
117.03348	1.4
119.03373	0.7
119.04918	3.2
123.00787	0.9
123.04369	1.1
125.02341	3.4
135.00824	0.7
136.07549	0.5
137.02332	1.0
139.00240	1.0
143.04968	0.7
143.61734	0.6
144.16766	0.6
145.02861	3.2
151.00293	2.8
151.03873	0.8
153.01872	1.0
159.04390	1.1
161.02344	0.9
163.00264	2.5
163.03920	6.1
165.05490	0.9
169.01291	1.9
177.01724	0.6
178.99736	0.9
185.05960	1.6
187.03903	2.5
189.05487	1.2
197.05981	1.2
199.03865	0.7
201.05367	0.7
211.03931	1.6
213.05478	1.9
227.03436	11.9
228.03842	0.8
229.05002	12.3
235.43895	0.7
239.03383	1.8
240.04216	0.9
241.04996	1.2
243.02858	0.8
255.02940	30.1
256.03452	3.5
257.04535	6.2
267.03156	1.3
271.02502	2.2
283.02435	1.1
284.00000	1.1
284.03244	41.4
285.04007	100.0
286.04349	7.8
300.02771	4.4
301.03397	3.7
317.06583	0.8
361.29404	1.1
366.01581	0.6
431.09793	90.8
432.10129	8.9
437.05338	1.2
447.09293	6.7
448.09760	0.8
522.33685	2.1
523.34949	3.9
547.18292	0.7
560.43805	0.6
583.10986	1.9
583.25116	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.354
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43982	1.5
53.02894	1.4
55.01757	2.1
57.03316	3.1
59.01249	87.4
71.01250	48.4
71.57784	3.0
72.99173	3.3
73.02808	6.5
80.54504	1.7
83.01257	3.2
85.02827	15.7
87.00726	2.5
89.02312	46.8
93.03357	1.5
93.07015	1.7
95.01244	4.4
96.95880	3.2
101.02322	31.9
107.04874	2.3
111.00690	1.9
113.02322	24.9
115.00285	3.8
116.92719	4.6
119.03392	21.1
123.00785	2.7
125.02323	6.2
131.03378	2.9
133.01350	3.7
139.03889	2.4
143.03400	6.5
145.02946	1.5
149.04427	1.9
151.00238	2.0
151.03920	2.9
161.04463	12.8
169.01285	4.3
179.05516	14.9
180.21657	1.7
207.62851	1.7
213.09258	3.7
225.15703	1.7
229.17992	7.6
271.04382	1.7
300.02707	1.8
301.03128	1.6
343.83496	1.7
357.13519	1.9
359.13751	1.5
359.27966	20.1
360.28226	2.0
441.55756	1.9
447.09390	2.5
449.09958	1.7
521.33270	100.0
522.33545	14.3
581.20868	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	581.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11642	3.7
59.01236	15.1
61.98687	5.0
62.14838	4.9
69.89075	16.2
69.89484	6.7
71.01238	10.4
75.00742	5.5
81.05580	4.5
117.03318	5.7
125.02299	10.2
137.02322	6.8
145.02849	9.4
147.55649	4.6
151.00266	7.8
161.04382	4.7
167.47145	5.1
167.76637	4.4
168.03195	4.9
169.01305	5.7
211.13432	4.4
219.12285	4.9
234.83551	4.4
242.99507	5.0
253.09212	19.3
291.19705	18.1
309.20682	100.0
310.20908	9.8
334.28195	4.4
528.48047	4.6
545.29761	63.7
546.30157	6.5
581.26807	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	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40266	4.2
71.57309	6.5
74.27437	4.4
74.31715	4.2
96.95909	24.0
125.02332	10.5
125.33184	4.8
133.01939	5.5
133.02820	24.6
134.03250	6.5
135.04404	80.7
154.59962	5.1
177.01872	8.5
178.02313	6.0
179.03412	100.0
253.67424	4.1
283.02579	5.6
295.76968	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	581.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57479	19.0
59.01241	36.5
61.98699	42.8
71.01253	24.9
71.21222	37.5
71.21561	24.9
82.00531	17.2
88.98691	16.8
89.02309	26.0
97.77580	17.7
101.02303	22.4
123.00807	18.2
162.08881	15.2
197.11755	46.8
209.11694	25.0
227.08057	19.1
242.76402	18.4
253.09251	16.1
291.19659	22.2
309.20700	51.8
329.63080	16.7
581.27008	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	581.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72327	26.7
59.01233	97.6
61.98696	89.8
71.29063	32.1
71.29407	63.2
72.61888	28.7
73.74123	32.3
75.00660	33.9
88.98666	54.4
96.95901	67.0
125.02390	42.8
145.02858	65.7
192.47701	32.3
197.11668	41.7
304.02893	33.1
309.20715	66.8
522.10480	34.9
581.27393	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	581.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00454	6.3
59.01248	100.0
71.01250	75.1
71.57787	5.5
72.99174	9.4
73.02817	5.1
79.92318	2.9
85.02811	13.0
87.00731	4.7
89.01748	4.5
89.02310	92.7
95.01260	5.0
96.95870	12.8
99.00801	2.8
101.02326	37.3
113.02315	29.3
115.00224	5.4
116.92747	8.2
119.03374	36.2
119.04874	3.2
123.00762	3.8
125.02378	3.9
131.03386	4.2
133.01343	15.8
143.03368	4.8
151.00209	3.4
161.04475	7.7
164.50316	3.2
169.01376	6.5
179.05537	27.5
213.75880	3.3
227.10727	3.4
229.18170	4.6
255.10272	5.7
257.15738	2.7
270.12585	3.1
283.09750	16.1
301.03143	3.1
311.09253	50.3
312.09390	4.8
316.39417	3.0
325.10571	4.8
326.11526	28.2
327.12009	4.3
341.13907	48.4
342.14557	3.7
359.27771	9.0
378.61902	4.0
467.55759	3.0
521.33246	42.1
581.22028	5.3
584.92871	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	579.294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18480	22.0
59.01243	30.6
61.98700	41.2
71.01248	24.5
72.99168	24.4
76.15994	19.6
78.95773	53.4
89.15122	18.8
96.95909	46.8
98.84653	20.4
111.61828	21.8
121.02838	28.6
122.32788	23.7
145.07918	21.2
145.73737	21.9
151.00255	30.4
152.99557	28.7
240.07378	21.3
255.03012	36.0
271.02390	50.6
272.02960	41.7
273.02969	28.6
281.68726	23.4
300.02658	73.9
301.03198	100.0
302.03317	51.0
325.86084	28.7
447.09518	71.4
491.43405	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	581.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01588	1.0
60.77732	0.3
69.38049	2.0
69.38480	0.3
69.38627	0.2
98.20499	0.4
101.02342	0.3
121.02846	1.5
130.33818	0.3
137.99237	0.2
147.04407	0.6
151.00291	0.9
152.00659	0.5
153.00693	0.3
161.04520	0.4
178.99757	0.6
214.70476	0.2
240.04228	0.4
249.17505	0.2
255.03012	0.5
255.10338	0.5
257.03720	0.4
268.07065	0.2
269.08160	6.4
270.08670	0.5
271.02374	0.8
271.09821	0.3
272.02902	0.4
273.02985	0.7
281.08218	1.4
283.09723	2.6
295.09555	0.5
298.12103	0.8
299.09213	5.0
300.02759	1.2
300.09625	0.5
301.03339	2.8
302.03589	2.5
303.04059	1.6
311.09238	6.0
311.12866	0.5
312.09732	0.6
314.11563	11.4
315.11755	1.5
325.10736	1.2
326.11569	7.3
327.11920	0.5
329.13928	41.0
330.14282	4.6
338.77365	0.3
341.13922	24.4
342.14276	2.4
359.15167	0.4
389.16049	0.5
433.07764	0.3
435.08118	0.8
447.09470	0.7
448.09622	1.1
449.09903	4.0
450.10190	0.3
581.14313	0.8
584.60553	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	48.2
61.98703	39.8
65.05238	29.4
71.58308	40.5
73.02853	27.8
74.34694	22.9
78.95782	100.0
92.96271	21.9
95.79429	24.5
101.02353	26.4
119.04868	24.6
128.68269	27.5
134.68457	25.0
164.60303	21.5
167.85506	22.8
184.58479	22.3
217.99408	26.2
271.02304	36.1
296.19479	27.7
300.02817	46.0
301.03455	70.7
304.09991	25.7
307.19437	32.0
366.87424	32.9
447.09259	79.7
534.04871	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	579.1509
Annotation	leufolin B
Peak:m/z	Relative Intensity
55.54004	0.3
56.20737	0.3
59.01241	1.6
61.98706	0.6
63.02262	2.4
65.00195	8.7
66.28487	0.3
70.92127	0.7
70.92471	0.5
71.01253	1.0
72.99162	0.3
73.02834	0.5
75.00750	0.6
78.95776	0.9
83.01253	5.2
93.03329	6.2
96.95900	0.4
97.02827	0.5
97.08577	0.3
101.02338	0.9
102.90684	0.3
105.95671	0.3
107.01270	14.9
107.04921	0.4
109.02807	0.4
117.03336	4.3
119.04912	35.2
120.05244	1.3
121.02834	1.1
125.02343	5.1
131.01297	0.8
133.06491	0.6
137.02304	0.7
143.04950	0.7
145.02855	15.8
146.03168	1.0
149.02316	0.8
151.00267	51.9
152.00569	1.6
158.03735	0.3
159.04433	0.4
161.02409	0.4
161.05977	1.9
163.03891	2.5
165.01830	3.2
169.01334	2.7
175.00247	3.2
177.01849	5.6
178.99667	0.3
179.03391	0.6
185.06042	1.9
187.03925	2.5
189.01811	0.5
193.01309	1.8
203.07202	0.4
205.01399	0.5
205.05000	0.8
227.07063	2.6
227.41954	0.4
229.05023	0.8
253.04999	0.4
259.06055	0.6
264.52499	0.4
265.07175	1.7
271.06104	100.0
272.06433	7.8
295.06088	3.5
300.02798	1.3
301.03528	1.0
307.08203	13.4
308.08569	0.9
313.07269	2.0
342.23499	0.3
391.22891	0.3
401.47827	0.3
433.11133	0.8
447.09091	1.8
579.15106	7.5
579.29089	0.8
580.15582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54004	0.3
56.20737	0.3
59.01241	1.6
61.98706	0.6
63.02262	2.4
65.00195	8.7
66.28487	0.3
70.92127	0.7
70.92471	0.5
71.01253	1.0
72.99162	0.3
73.02834	0.5
75.00750	0.6
78.95776	0.9
83.01253	5.2
93.03329	6.2
96.95900	0.4
97.02827	0.5
97.08577	0.3
101.02338	0.9
102.90684	0.3
105.95671	0.3
107.01270	14.9
107.04921	0.4
109.02807	0.4
117.03336	4.3
119.04912	35.2
120.05244	1.3
121.02834	1.1
125.02343	5.1
131.01297	0.8
133.06491	0.6
137.02304	0.7
143.04950	0.7
145.02855	15.8
146.03168	1.0
149.02316	0.8
151.00267	51.9
152.00569	1.6
158.03735	0.3
159.04433	0.4
161.02409	0.4
161.05977	1.9
163.03891	2.5
165.01830	3.2
169.01334	2.7
175.00247	3.2
177.01849	5.6
178.99667	0.3
179.03391	0.6
185.06042	1.9
187.03925	2.5
189.01811	0.5
193.01309	1.8
203.07202	0.4
205.01399	0.5
205.05000	0.8
227.07063	2.6
227.41954	0.4
229.05023	0.8
253.04999	0.4
259.06055	0.6
264.52499	0.4
265.07175	1.7
271.06104	100.0
272.06433	7.8
295.06088	3.5
300.02798	1.3
301.03528	1.0
307.08203	13.4
308.08569	0.9
313.07269	2.0
342.23499	0.3
391.22891	0.3
401.47827	0.3
433.11133	0.8
447.09091	1.8
579.15106	7.5
579.29089	0.8
580.15582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	1.0
63.02275	0.6
65.00215	0.5
65.57444	0.4
70.92187	1.3
71.01247	1.2
75.66947	0.4
83.01226	0.4
85.02819	0.7
89.02314	0.8
93.03346	0.8
95.50497	0.5
96.95893	1.1
101.02297	0.8
107.01261	1.8
109.02815	0.8
111.00754	0.9
112.98714	1.0
113.02353	0.6
117.03350	0.6
121.02831	0.5
123.00748	1.0
125.02349	2.8
126.02640	0.5
129.94577	0.4
137.02353	3.4
149.02342	0.8
150.03119	1.3
151.00270	9.5
152.01128	0.5
152.04651	0.7
153.01859	0.6
159.04375	0.9
165.05473	1.2
165.07889	0.4
166.01239	0.9
166.02628	16.2
167.03336	1.3
168.03918	0.4
169.01329	3.2
172.87950	0.4
175.03931	0.5
177.01869	1.3
179.03357	0.6
181.04988	25.2
182.05229	1.0
183.04466	3.0
190.82339	0.4
191.03331	0.6
195.06534	0.5
211.03915	2.9
226.02722	0.5
227.03448	2.8
254.01917	0.5
255.02963	51.6
256.03421	3.2
257.04666	0.6
283.02466	100.0
284.03070	16.6
285.04016	10.2
286.04346	0.8
297.11276	0.5
313.05667	0.7
359.11343	0.8
387.10757	5.3
402.13284	2.0
417.08426	3.1
417.15512	31.9
418.15872	3.3
446.02277	0.8
446.08463	9.2
447.09186	4.8
461.14468	1.0
489.10568	0.8
561.13007	0.5
579.13531	71.6
580.13824	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	579.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.3
60.40881	0.4
63.02290	0.7
63.37616	0.4
71.01250	1.8
71.44638	0.9
77.25520	0.4
83.01273	0.6
87.00745	0.4
89.02306	1.6
93.03352	0.7
96.95890	2.8
101.02319	0.5
107.01242	1.0
111.00783	0.7
112.98643	0.4
116.38199	0.4
123.00746	0.7
123.04395	0.6
125.02318	3.8
136.15573	0.5
137.02261	0.4
150.03076	1.4
151.00269	2.2
155.04893	0.4
159.04333	0.9
164.00989	0.5
165.05409	2.1
169.01318	2.8
171.04576	0.5
174.01654	0.5
176.22124	0.5
183.04445	2.4
187.03964	0.5
195.06520	1.7
211.03905	2.9
227.03448	1.9
239.03581	0.4
255.02959	45.0
256.03290	4.3
257.04440	0.5
283.02454	100.0
284.02997	14.2
285.04025	2.3
293.08795	1.6
313.05539	1.1
337.09317	0.8
416.07431	10.9
417.08197	4.3
447.09680	2.4
461.14505	0.8
519.24451	1.7
541.22742	0.7
579.13495	83.4
580.13800	12.7
582.21106	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08356	0.4
59.01243	2.1
60.95578	0.4
63.02280	0.5
71.01242	1.6
71.05903	0.9
72.99194	0.4
73.49094	0.4
75.00716	0.6
83.01244	1.1
85.02832	0.5
87.00764	0.9
89.02318	1.3
93.03355	0.8
96.95887	7.3
99.00777	0.6
107.01277	0.8
112.98705	2.3
115.00292	0.9
125.02310	1.1
129.46947	0.4
139.85387	0.4
142.99757	0.5
148.19376	0.4
149.02312	1.2
150.03119	2.7
151.00253	2.2
159.04373	0.6
164.00986	0.4
165.05486	3.7
167.04903	0.5
169.01321	1.0
171.61066	0.4
174.01625	0.5
175.02373	1.5
177.05458	0.6
183.04414	2.6
195.06572	1.3
199.03906	0.4
207.06613	0.6
211.03934	3.0
227.03403	2.4
254.02750	0.5
255.02959	46.6
256.03336	3.5
277.07486	0.4
283.02457	100.0
284.02951	13.3
285.03851	2.8
327.12616	0.5
403.48901	0.5
416.07486	8.8
417.08157	3.8
447.09457	1.0
461.14691	0.6
579.13495	75.4
580.13763	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	579.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83490	0.2
63.02259	0.9
65.00191	2.0
68.36525	0.2
68.76483	0.2
69.31664	0.9
69.32086	1.7
83.01251	1.5
86.18206	0.3
91.01757	0.4
93.03322	0.5
95.81660	0.3
97.21980	0.3
98.20583	0.6
107.01266	4.8
107.22160	0.2
108.02079	0.4
109.02818	2.2
112.22604	0.3
118.54437	0.3
119.01259	0.5
121.02837	3.7
124.01542	0.3
135.00748	0.7
139.03955	0.3
147.00725	0.4
148.01546	1.0
149.02330	0.6
151.00264	18.8
152.00642	0.7
159.04454	0.5
163.00284	3.5
163.03947	0.6
164.01039	0.7
169.01395	1.3
171.04382	0.6
178.99767	8.2
180.00148	0.4
183.04407	0.4
185.06030	0.4
187.03937	0.4
190.99866	0.4
192.00497	0.6
199.03929	0.4
201.05440	0.6
203.03429	0.4
211.03928	1.3
215.03540	0.4
216.04266	0.5
226.02664	1.4
227.03433	2.6
228.03989	0.5
229.04962	1.1
231.46284	0.3
239.03589	0.4
243.02950	6.3
244.03477	0.6
245.04491	2.7
254.02151	1.2
255.02945	20.9
256.03348	1.6
264.52786	0.3
271.02457	39.8
272.02905	3.9
273.03870	1.3
283.02341	1.3
299.02036	1.5
300.02719	52.1
301.03467	48.7
302.03815	3.4
433.07590	0.4
447.09277	100.0
448.09613	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	577.2865
Annotation	Atractyloside G 2-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.79116	0.4
52.18838	0.4
55.01757	0.7
55.10151	0.4
57.03325	0.9
57.19479	0.4
58.00463	0.9
58.84847	0.4
59.01250	17.2
61.98697	0.7
68.62926	0.5
69.03316	0.9
69.35180	4.5
71.01254	20.4
72.99168	1.0
73.02811	4.6
73.65968	0.4
78.95771	0.8
79.56361	0.5
83.01265	3.5
85.02827	7.7
85.99984	0.5
87.00758	4.2
89.02319	11.7
95.01259	1.8
96.95887	0.8
97.06487	0.8
99.00735	1.4
101.02323	15.1
113.02334	11.1
119.03384	4.1
119.04853	0.8
125.02337	2.1
128.55984	0.5
129.01833	0.5
131.03404	5.7
143.03389	1.4
145.02821	0.7
159.02890	1.3
161.02359	0.8
161.04482	6.8
163.03925	0.8
171.10168	0.8
179.05537	1.5
191.14404	0.5
193.12268	1.3
207.17490	1.7
221.06630	6.5
225.14912	2.2
235.17007	5.3
236.17445	0.5
253.09303	2.9
253.18071	6.7
254.18340	0.5
283.02399	0.5
289.07211	0.5
314.00824	0.9
341.23297	10.6
342.23666	1.0
397.22217	1.4
415.23526	5.3
416.23114	0.5
430.08859	1.2
431.09927	1.5
577.28632	100.0
578.28925	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	577.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
59.01250	2.1
61.98693	1.1
65.00198	1.0
69.22900	8.5
71.01252	3.6
71.46727	0.7
73.02837	0.8
82.83735	0.6
83.01237	0.8
85.02816	1.3
96.95895	2.7
98.19753	1.3
101.02328	0.9
107.01270	5.3
109.02829	1.2
111.00740	1.0
113.02338	1.6
117.03305	0.9
121.02831	0.8
123.00757	3.5
123.04352	0.9
124.01536	0.8
125.02332	32.2
126.02646	1.5
130.08601	1.4
137.02362	1.9
138.03140	0.8
139.00235	1.1
140.01088	1.1
145.02827	1.2
149.02371	1.0
151.00252	10.0
152.00975	1.0
155.04921	0.7
160.01587	1.5
161.02345	1.0
163.00313	1.5
164.01064	0.9
165.01843	2.0
167.03354	0.8
167.04811	0.8
167.13324	0.7
168.00526	5.8
169.01329	46.4
170.01669	2.2
173.23671	0.9
175.03891	2.0
178.99760	1.7
183.04410	2.2
193.01350	2.0
193.04984	0.9
197.06064	2.3
211.02396	19.2
217.04918	1.2
225.05536	2.4
226.02695	0.8
227.03398	1.8
241.03137	1.2
241.05305	1.5
255.02937	20.0
256.03278	17.5
257.03467	14.1
269.04553	30.2
270.04819	3.0
271.04510	29.6
271.62674	0.8
272.04855	1.9
283.02460	36.3
283.99603	0.9
284.02832	33.6
285.03036	36.0
286.03879	6.0
287.01715	1.0
287.04660	2.2
289.07086	4.7
297.04037	65.2
298.04565	10.2
299.05493	5.2
300.05878	1.5
313.05634	29.4
314.05948	1.9
331.06549	3.3
331.10117	0.9
337.59653	0.9
369.06009	2.3
395.07489	1.0
399.15436	0.9
413.08789	2.3
414.08618	1.0
428.07352	1.7
429.07776	3.0
430.08463	12.0
431.09299	7.7
432.09912	1.4
433.10199	1.1
445.11212	1.8
559.14368	5.0
560.15411	1.4
577.14276	100.0
578.14893	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	577.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19621	0.2
63.02291	0.5
64.99921	0.2
65.00214	0.5
66.92086	0.2
69.34248	1.7
70.33110	0.2
71.06264	0.2
73.70657	0.1
79.16537	0.2
83.01269	0.6
88.35423	0.2
88.93281	0.1
93.03320	0.3
96.95892	0.5
104.79767	0.2
107.01264	1.2
117.03335	0.8
125.02396	0.3
132.02083	0.2
150.33330	0.2
151.00259	2.8
152.00638	0.2
155.04913	0.4
159.04398	0.7
163.00253	0.3
164.01050	0.4
167.04977	0.3
169.01329	0.4
169.02675	0.2
171.04384	0.3
173.06030	0.2
176.40486	0.1
178.99646	0.2
180.75378	0.2
182.03629	0.3
183.04439	3.1
184.04843	0.2
185.02405	0.5
187.03918	0.3
199.03960	0.2
211.03935	3.3
212.04384	0.3
213.01816	0.3
227.03427	2.8
228.04005	0.4
239.03439	0.4
241.04922	0.2
243.02919	0.2
251.72791	0.2
255.02950	51.7
256.03284	4.5
257.04272	0.3
269.04486	0.4
282.01511	0.2
283.02448	100.0
284.03009	14.4
285.03940	2.1
286.04315	0.2
301.03537	0.2
327.04840	0.2
375.45721	0.2
407.07797	0.6
430.08975	10.5
431.09708	6.1
432.10284	0.4
473.11060	0.5
559.14087	0.2
577.15546	83.8
578.15930	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	577.156
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81748	0.1
59.01243	0.3
65.00194	0.4
69.28657	0.2
69.28979	1.6
77.03833	0.3
79.01771	0.4
84.16138	0.1
87.35863	0.1
89.35957	0.2
93.03377	0.5
96.95918	0.3
97.02836	0.4
98.20547	0.3
107.01193	0.2
117.03353	0.4
121.02837	1.7
123.00774	0.2
123.04376	1.0
125.02326	0.6
132.02057	0.4
133.02808	1.2
135.00774	0.9
137.02370	0.3
149.02342	0.7
151.00285	0.4
155.04906	0.2
159.98866	0.2
161.02417	0.2
163.00298	1.5
164.01010	0.3
165.01849	2.4
169.01303	0.3
169.06502	0.6
173.05905	0.2
176.01080	0.6
177.01842	0.4
178.02635	0.3
181.06400	0.3
182.03676	0.3
183.02913	0.3
183.04375	0.4
185.05977	0.3
195.04549	0.2
196.05249	0.2
197.06012	3.1
198.06351	0.3
199.03989	0.3
201.05618	0.2
204.00668	0.2
206.02179	0.2
210.03186	0.4
213.05496	0.5
217.04987	0.3
223.03897	0.2
224.04796	0.2
225.05524	4.2
226.02681	1.0
226.05882	0.3
227.03223	0.2
240.04182	0.3
241.05014	3.9
242.05324	0.2
250.61037	0.2
253.05055	0.5
254.02101	0.8
255.02983	0.3
269.04532	51.3
270.04883	4.3
283.02585	0.4
284.02917	0.2
285.03552	0.2
289.07199	0.2
297.04016	100.0
298.04584	16.9
299.05463	2.1
341.06244	0.2
372.75131	0.2
401.08636	0.2
413.08896	0.4
430.09021	9.9
431.09686	5.3
431.14169	0.1
432.09967	0.5
445.11285	0.4
473.10620	0.3
548.82892	0.2
559.14417	0.5
577.15558	76.1
578.15930	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	577.156
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02279	0.7
65.00214	0.5
74.71603	0.2
83.01290	0.4
87.57815	0.2
93.03352	0.2
96.95891	0.5
107.01270	1.1
117.03333	0.6
125.02310	0.2
129.02971	0.2
132.02025	0.2
133.02910	0.2
133.04518	0.2
143.04968	0.2
149.99603	0.2
151.00281	2.6
155.04933	0.4
159.04425	0.6
160.07281	0.2
163.00311	0.3
164.01068	0.3
167.04990	0.2
169.01317	0.4
170.01614	0.2
171.04431	0.2
173.02315	0.2
173.06018	0.2
173.13568	0.2
182.03632	0.3
183.04440	3.3
185.02412	0.3
187.03973	0.4
199.03929	0.4
211.03958	3.2
213.01868	0.4
226.02754	0.2
227.03410	2.4
228.03880	0.2
239.03401	0.3
241.05107	0.2
255.02957	50.4
256.03317	3.9
273.70731	0.2
282.01755	0.3
283.02457	100.0
284.03052	14.6
285.03922	2.8
286.04254	0.2
300.02753	0.2
326.04401	0.3
430.09058	8.4
431.09729	5.1
432.10229	0.4
577.15570	48.1
578.15887	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	577.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26413	0.1
55.73911	0.1
59.01252	0.4
60.00130	0.1
61.53216	0.1
65.00218	0.4
69.32567	0.3
69.32962	1.3
71.01246	0.3
77.03854	0.2
79.01788	0.2
79.89043	0.1
82.94640	0.1
85.02799	0.2
89.02287	0.2
93.03372	0.4
96.95892	0.7
97.02821	0.3
98.19764	0.3
107.01299	0.2
109.02840	0.3
113.02328	0.2
117.03379	0.4
119.04951	0.3
121.02834	1.2
123.04401	1.0
125.02348	1.0
132.02061	0.3
133.02850	1.2
135.00754	0.7
136.01514	0.2
137.02356	0.3
139.03876	0.2
145.02884	0.4
149.02342	0.7
151.00288	0.5
153.01920	0.1
161.02228	0.2
163.00285	0.9
164.01047	0.3
165.01830	2.6
166.99855	0.2
169.01326	0.6
169.06485	0.5
173.05997	0.3
176.01068	0.4
177.01851	0.5
178.02614	0.3
178.99757	0.2
181.06508	0.3
182.03613	0.2
183.02925	0.3
183.04424	0.2
185.05978	0.2
193.01344	0.3
195.04462	0.2
196.05147	0.2
197.06024	2.6
198.06369	0.2
199.03952	0.3
201.05507	0.2
210.03201	0.3
213.05519	0.6
217.05009	0.3
224.04626	0.2
225.05508	4.1
226.02603	0.8
226.05888	0.3
240.04240	0.3
241.05017	3.9
242.05397	0.3
245.08289	0.2
253.05116	0.4
254.02135	0.7
255.02814	0.3
268.03955	0.2
269.04535	46.5
270.04916	3.9
283.02432	0.5
284.02658	0.2
285.03885	0.3
289.07050	0.3
297.04019	100.0
298.04590	15.9
299.05539	1.9
300.05914	0.2
308.39401	0.1
313.05637	0.2
341.06604	0.2
369.06174	0.3
401.08838	0.3
412.07910	0.2
413.08722	0.5
430.09000	9.8
431.09732	5.3
432.10065	0.4
445.11404	0.6
473.11063	0.3
559.14594	0.7
577.15552	76.8
578.15887	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	577.1346
Annotation	ent-Epicatechin-(4alpha->6)-ent-epicatechin
Peak:m/z	Relative Intensity
57.03318	16.0
59.01202	1.3
64.12412	0.8
64.73629	0.7
66.32163	0.8
69.03310	1.0
82.86240	0.8
83.01245	4.1
93.03356	1.0
95.04893	1.2
96.95882	13.9
97.02818	3.7
109.02828	15.2
119.04903	1.0
121.02814	3.3
122.03578	1.1
123.04401	12.3
125.02327	100.0
126.02674	3.2
131.05026	1.0
133.02829	3.1
135.04414	1.9
137.01376	1.5
137.02333	19.1
139.03870	3.1
140.84488	0.9
147.04384	1.3
149.02301	4.7
149.45291	0.8
150.03098	1.1
151.00235	1.7
151.03914	7.3
159.04413	2.1
160.05217	0.8
161.02345	23.0
161.05927	3.1
162.03001	2.5
163.00224	1.8
163.03902	2.3
164.01054	3.3
165.01813	3.7
167.03403	0.9
175.03915	8.3
177.01811	4.3
177.05408	1.4
179.03386	2.7
187.03920	6.6
188.04622	2.4
189.05510	1.1
201.05571	1.0
202.06168	1.4
203.07077	7.2
205.01317	1.6
205.04953	5.6
217.04985	1.4
219.76430	1.0
221.08160	1.8
221.96967	0.8
225.05598	1.2
227.06992	1.5
229.04980	2.9
243.02931	2.0
245.04430	2.9
245.08141	9.6
247.05965	1.2
253.05089	1.0
255.02910	7.2
256.03738	3.9
257.04391	1.2
269.04529	1.4
271.02325	2.2
273.04034	4.4
281.04517	3.2
283.02365	2.7
285.04080	2.6
287.05582	6.4
289.07159	51.2
290.07520	3.1
299.02551	0.9
299.05539	5.1
300.02719	5.6
300.05582	1.0
301.03494	4.4
339.08658	2.9
381.09744	1.6
407.07675	39.7
408.08096	3.5
425.08752	16.9
426.09357	1.1
431.09790	1.5
433.07751	5.3
451.10397	8.0
452.10794	1.2
473.06519	1.0
559.11407	1.2
577.13318	5.6
578.14246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	14.6
67.01762	0.6
70.44494	0.8
70.44847	2.1
75.89203	0.6
80.35770	0.6
81.03310	1.6
83.01262	4.1
93.03325	1.5
95.04890	2.1
96.95889	1.7
97.02817	4.1
99.02869	0.6
105.03314	0.6
107.04873	1.5
108.02039	0.7
109.02827	20.3
110.03223	0.7
119.04897	0.8
121.02811	3.4
122.03621	1.1
123.04394	13.4
125.02328	100.0
126.02658	2.9
131.04956	0.9
133.02824	3.4
135.04404	2.2
137.02341	20.5
138.03122	1.2
139.03893	3.0
142.33128	0.6
143.04924	0.6
145.02844	0.7
146.03560	0.7
147.04407	1.1
149.02313	4.1
149.34848	0.7
150.03107	1.1
151.03909	14.0
152.04195	0.8
157.06465	0.8
159.04414	3.5
160.05168	1.2
161.02341	26.5
161.05942	4.3
162.02963	2.8
163.00272	2.5
163.03908	3.6
164.01068	4.0
165.01805	5.3
167.03387	1.9
173.05965	1.2
174.03183	0.8
175.03940	8.5
177.01828	6.5
178.02567	0.8
179.03436	4.1
185.05966	1.0
187.03917	7.6
188.04691	2.5
189.01765	0.9
189.05478	1.0
191.03445	1.0
199.04024	1.2
201.05473	1.5
202.06290	1.8
203.03407	1.6
203.07051	10.3
205.01440	3.1
205.04991	6.9
211.03943	1.0
212.04703	0.8
213.05467	1.5
215.03564	1.2
217.04997	1.4
221.08150	1.9
223.65073	0.7
225.05495	0.9
227.03462	1.8
227.07054	1.4
228.04062	1.1
229.04974	2.9
230.05663	1.0
231.02989	1.0
231.06456	1.0
243.02904	3.0
243.06560	1.0
245.04611	4.6
245.08139	12.1
247.06049	1.8
253.04974	0.9
255.02969	8.8
256.03717	5.3
257.04416	2.2
269.04413	1.5
273.03885	3.8
281.04468	4.4
282.01691	0.9
283.02527	2.0
285.04160	3.3
285.07019	0.9
287.05585	8.0
289.07159	56.4
290.07495	3.2
297.03870	1.2
297.07791	1.0
299.05667	5.0
329.06436	1.2
339.08694	3.1
381.09775	1.6
389.06845	1.0
407.07684	47.7
408.08112	5.0
425.08807	14.2
426.09268	2.4
451.10321	8.3
452.10886	1.2
577.13202	4.0
578.14154	0.8
582.79755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	13.1
59.01250	5.1
65.03819	0.8
67.01750	0.6
69.91691	0.8
69.92101	1.8
71.01253	3.5
72.99190	0.5
81.03332	1.9
83.01257	4.2
83.04884	0.5
85.02853	1.0
87.00771	0.5
89.02314	4.3
89.03824	0.6
93.03335	1.6
95.01264	1.0
95.04900	1.7
96.95892	4.6
97.02824	3.2
99.00751	0.8
101.02325	1.7
105.03351	0.7
107.01260	0.6
107.04913	2.0
108.02067	1.0
109.02831	18.8
111.00832	0.4
113.02336	2.1
117.03297	0.7
119.03394	1.2
119.04860	0.5
121.02852	2.8
122.03635	0.8
123.00717	0.5
123.04410	13.0
124.01530	0.4
125.02329	88.3
126.02642	2.5
131.04927	1.7
133.02858	5.0
133.06538	0.5
135.04402	1.7
137.02335	16.6
138.02962	0.4
139.03905	2.5
143.04942	0.7
145.02844	1.5
146.03629	1.2
147.04364	1.0
147.95439	0.4
149.02338	4.6
150.03085	1.1
151.00288	0.4
151.03911	11.9
152.04239	0.6
157.06430	0.5
159.04411	3.9
160.05095	1.2
161.02348	21.6
161.04453	0.8
161.05946	3.4
162.03123	2.4
163.00259	1.4
163.03957	3.7
164.01047	4.0
165.01843	3.0
166.02576	0.4
167.03404	1.0
169.01331	1.2
173.06017	1.2
174.03160	1.5
175.02483	0.8
175.03923	11.7
175.07558	1.0
176.04250	0.6
177.01846	11.1
177.05511	1.1
179.03395	2.9
179.05544	2.7
183.04422	0.7
185.05989	1.4
187.03929	7.5
188.04697	3.0
189.01894	0.6
189.05490	1.2
191.03525	0.6
193.01318	0.6
193.04909	1.0
195.04454	0.5
197.06030	0.7
199.03960	3.2
199.07677	0.5
201.01762	0.8
201.05455	1.6
202.06274	1.2
202.99876	0.4
203.03391	1.3
203.07045	7.5
204.07582	0.5
205.01399	1.4
205.04988	6.2
211.03966	2.6
212.04729	0.9
213.01825	0.7
213.05511	2.8
214.02637	1.4
215.03421	1.7
217.05032	2.6
219.02946	1.3
221.08122	1.3
225.05458	1.2
227.03468	4.0
227.07066	1.2
228.04222	2.1
229.05000	3.9
230.05719	0.6
231.02884	1.0
231.06519	0.7
237.05559	0.5
241.04935	1.0
243.02959	10.0
243.06433	0.9
244.03368	1.0
245.04527	2.9
245.08167	7.5
246.08444	0.7
247.05965	0.9
253.05150	1.0
255.02951	18.8
256.03690	10.2
257.04431	3.4
267.02899	1.0
269.04608	3.4
271.05972	0.5
273.04092	4.6
281.04526	4.5
282.01715	1.0
282.04831	0.5
283.02481	3.4
284.03204	1.1
285.03983	5.2
286.04324	0.6
287.05576	8.0
288.02832	0.8
288.05991	0.8
289.07166	51.2
290.07465	3.4
297.04025	1.4
297.07684	1.1
298.04416	0.6
299.05527	5.0
303.05380	0.6
321.07602	1.2
328.05951	0.5
329.06619	1.0
339.08704	4.1
340.08890	0.6
341.06454	0.7
353.10806	1.1
363.08539	0.8
381.09729	3.7
389.06641	5.9
390.07074	0.6
407.07700	100.0
408.07999	10.3
415.16241	1.0
425.08722	13.1
426.09079	1.4
451.10309	10.7
452.10703	1.2
559.12482	0.9
577.13397	4.5
577.21509	2.8
578.13855	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	18.1
69.03306	0.9
70.87967	0.8
70.88287	1.3
75.77423	0.7
81.03313	2.5
83.01257	4.6
93.03355	1.4
95.01273	1.1
95.04893	2.8
97.02818	4.3
99.06885	0.7
105.03307	0.7
107.04942	1.2
109.02823	19.3
117.03410	1.0
121.02843	3.9
122.03640	1.5
123.04403	13.9
125.02329	100.0
126.02672	2.3
131.04898	1.0
131.30339	0.7
133.02846	4.4
135.04465	1.7
137.02338	22.4
138.03035	0.8
139.03880	2.5
143.04958	1.1
145.02849	1.5
146.03596	1.7
147.04474	1.1
149.02353	5.5
150.03131	0.9
151.03897	12.3
152.04385	0.9
159.04425	4.2
161.02345	26.5
161.03703	1.4
161.05963	5.5
162.02971	2.5
162.36501	0.7
163.00296	1.8
163.03879	3.6
164.01038	4.7
165.01863	5.8
167.03371	2.1
173.05981	1.7
174.03146	1.0
175.03891	10.6
175.07564	1.5
176.01062	0.7
177.01849	6.8
177.05435	0.9
178.02603	0.8
179.03406	4.6
185.06001	2.0
187.03926	7.9
188.04752	3.6
189.01848	0.9
189.05405	0.8
193.05093	0.9
199.03940	1.5
201.05495	1.8
202.06219	1.9
203.03395	1.9
203.07062	8.8
205.01344	2.4
205.04987	8.5
211.03993	1.8
212.04720	1.4
213.05463	2.0
214.02704	1.1
215.03380	1.1
217.04970	2.5
219.06490	0.9
219.18050	0.7
221.08084	1.4
225.05635	1.0
227.03468	1.9
227.07152	2.3
228.04179	1.4
229.05040	2.9
230.05693	1.4
231.02850	1.2
243.03046	2.7
243.06522	0.8
244.03607	0.9
245.04504	4.9
245.08168	12.2
247.06134	1.5
253.05154	1.1
255.02962	9.4
255.05624	0.9
255.06599	0.6
256.03726	5.7
257.04498	1.6
273.03964	3.5
274.04535	0.9
281.04486	3.1
283.02579	2.4
285.04062	3.4
287.05585	6.8
288.06046	1.4
289.07156	62.2
290.07559	5.2
297.07568	1.1
299.05606	6.6
329.06509	1.2
331.08139	0.9
339.08621	4.6
363.08755	0.9
381.09766	2.3
389.06631	1.3
407.07675	55.1
408.07977	6.9
425.08759	18.7
426.09158	2.5
451.10431	10.2
452.10715	2.0
559.12244	1.2
577.13428	4.6
593.40497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1344
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03317	15.6
70.90802	1.9
74.15026	0.9
76.85802	0.8
81.03339	2.0
83.01244	5.3
93.03326	2.2
95.04887	3.1
97.02831	4.4
101.01393	0.8
107.04938	1.4
109.02836	22.6
110.03135	1.0
116.02573	1.0
117.03271	1.1
121.02828	3.4
123.04401	14.0
125.02332	100.0
126.02660	3.8
133.02827	4.9
134.03590	1.0
135.04401	2.0
137.02335	19.6
139.03889	3.3
145.02895	1.4
147.04440	1.2
149.02345	5.6
150.03093	1.7
151.03909	13.7
159.04407	3.4
160.05209	1.6
161.02339	26.0
161.05988	5.7
162.03043	2.9
163.00279	2.4
163.03908	3.4
164.01056	5.3
165.01855	5.6
167.03413	1.5
174.03122	1.0
175.03900	11.0
175.07541	1.0
177.01845	5.8
177.05478	1.9
178.02544	1.1
179.03392	5.7
185.05894	1.7
187.03932	6.1
188.04707	1.9
199.07668	1.1
200.04665	1.0
201.05423	2.3
202.06398	1.6
203.03485	1.6
203.07033	10.0
205.01324	2.8
205.04971	8.0
213.05608	1.3
215.03470	1.1
217.05017	2.1
219.03001	0.9
221.08168	2.6
225.05511	1.1
227.03511	2.8
227.07010	1.2
228.04247	1.7
229.05040	2.6
231.02888	1.2
232.66769	1.1
243.03030	2.2
244.03671	1.1
245.04515	5.8
245.08105	11.7
246.08437	1.3
253.05063	0.9
255.02968	8.2
256.03751	6.2
257.04495	2.1
269.04565	2.4
271.06021	1.0
273.04028	3.1
281.04477	3.8
283.02481	2.2
285.04172	2.9
287.05560	6.8
289.07159	59.6
290.07498	2.8
299.05643	5.9
319.00854	0.9
329.06613	1.5
332.92825	1.0
339.08679	3.6
381.09766	2.6
407.07684	49.1
408.07996	5.1
425.08771	16.6
426.08685	1.0
451.10330	11.5
559.12085	1.1
577.13483	6.1
578.14398	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35736	0.3
59.01248	1.9
59.61581	0.3
61.98703	100.0
62.98402	0.3
69.30145	2.6
71.01253	0.4
75.39171	0.3
78.57030	0.3
101.02340	0.4
110.83992	0.3
125.02349	0.4
171.10243	0.3
194.46318	0.3
209.11748	0.4
211.13387	0.4
253.09413	0.6
254.09619	0.4
255.09816	0.8
274.21481	0.3
277.21716	2.9
278.22067	5.7
279.22385	3.0
280.22726	1.9
322.93546	0.3
355.69470	0.3
465.67120	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67461	0.3
57.23162	0.3
58.55410	0.3
59.01248	1.3
60.01585	0.3
60.11736	0.3
61.98701	100.0
65.00180	0.3
66.59698	0.3
70.17327	0.8
71.01260	0.3
78.95787	0.3
89.02345	0.4
95.66439	0.3
98.19875	0.3
101.75788	0.3
122.19969	0.3
125.02329	0.4
145.58304	0.4
151.00302	0.8
153.49271	0.3
171.10031	0.5
178.99751	0.7
209.11787	0.7
211.13354	0.3
253.09094	0.4
254.09634	0.4
256.10101	0.4
277.21732	2.6
278.22061	3.7
278.24948	0.4
279.22293	2.3
280.22720	1.3
328.10666	0.8
328.60764	0.6
446.15033	0.6
446.65414	0.3
576.25549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53777	0.8
59.01244	13.6
71.01244	3.0
71.27240	1.3
71.27576	1.4
73.27869	0.9
89.02320	2.2
101.02350	2.3
125.02293	1.4
152.42128	1.1
171.10239	1.0
196.65114	1.0
209.11722	2.8
225.29684	0.9
235.08241	1.8
253.09254	11.9
261.22171	1.2
279.23276	100.0
280.23624	8.4
291.19669	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	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	16.2
62.92966	0.4
71.01262	2.8
73.02814	1.1
78.95779	0.4
83.01313	0.4
85.02808	0.9
87.00751	0.5
89.02322	2.8
92.64896	0.4
98.20592	0.7
101.02343	3.2
109.02884	0.4
113.02330	1.1
119.03385	0.7
125.02296	0.5
161.04509	0.9
196.25696	0.4
211.13414	0.5
235.08185	1.8
253.09268	14.2
279.23273	100.0
280.23645	10.1
336.13406	0.5
349.47449	0.5
396.22836	0.4
468.89111	0.5
481.43634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
60.94458	0.3
63.02255	0.4
65.00204	0.6
70.89108	0.5
70.89464	0.6
83.01260	0.7
93.03346	0.4
107.01265	1.2
117.03347	0.9
125.02349	0.3
132.02049	0.5
149.99413	0.4
151.00253	2.7
159.04425	0.6
163.64246	0.3
164.01016	0.4
167.04988	0.4
169.01352	0.4
171.04404	0.5
183.04413	3.8
185.02451	0.3
187.03877	0.6
199.03937	0.3
211.03940	3.2
213.01837	0.4
226.02740	0.5
227.03441	3.4
235.45016	0.2
239.03365	0.3
255.02946	56.7
256.03296	3.5
283.02451	100.0
284.03036	16.7
285.03955	6.1
286.04187	0.3
428.07437	11.0
429.08096	3.9
430.08737	0.3
431.09863	1.7
451.71103	0.3
471.09036	0.3
575.14014	76.4
576.14294	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	575.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29992	0.3
63.02275	0.9
65.00198	0.8
69.28558	1.6
69.28993	1.6
72.33495	0.3
83.01247	0.7
93.03323	0.3
107.01254	1.7
117.03364	1.3
125.02333	0.3
139.15268	0.3
151.00278	3.8
159.04442	0.8
164.01056	0.4
167.04916	0.4
169.01430	0.7
178.24521	0.3
182.03683	0.7
183.04440	4.2
185.02354	0.7
187.03906	0.8
199.03940	0.7
211.03967	3.9
213.01828	0.4
226.02625	0.5
227.03378	3.8
255.02954	62.6
256.03311	4.5
282.01477	0.4
283.02457	100.0
284.03061	17.1
285.03973	6.2
291.29709	0.4
300.54239	0.4
327.05154	0.4
416.16998	0.3
428.07434	10.0
429.08109	4.7
430.08783	0.5
431.10037	2.1
471.08990	0.4
575.14014	79.7
576.14355	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	575.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98492	0.2
59.01250	0.3
63.02274	0.7
65.00217	0.8
67.24602	0.2
69.24377	0.9
69.24790	2.1
77.95247	0.2
83.01251	0.6
93.03355	0.5
96.95887	1.1
107.01255	1.7
109.02856	0.3
117.03345	0.9
123.00703	0.4
125.02335	1.9
135.00768	0.4
137.02325	0.3
143.04897	0.5
149.02280	0.3
150.03168	0.4
151.00258	4.2
153.01808	0.3
155.04922	0.5
159.04379	0.8
163.00258	0.5
164.01048	0.9
165.05516	0.5
169.01317	1.1
170.56224	0.3
171.04402	0.6
175.35091	0.3
178.99799	0.3
182.03616	0.6
183.04443	5.0
187.03900	1.1
199.03908	0.5
210.03276	0.3
211.03925	4.6
213.01778	0.5
215.03328	0.3
226.02670	0.3
227.03435	4.8
228.03897	0.4
229.04970	0.9
239.03452	0.4
241.05005	0.4
255.02956	63.9
256.03333	4.0
257.04544	1.1
283.02457	100.0
284.03110	20.9
285.03979	16.2
286.04373	1.2
301.03635	0.4
311.05508	0.7
327.05063	0.7
353.06491	0.3
371.07666	0.4
428.07458	10.6
429.08215	3.5
431.09851	5.9
432.10123	0.3
449.08090	0.3
452.54071	0.2
492.82867	0.3
515.71930	0.3
575.14014	78.1
576.14355	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	575.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00687	0.3
63.02279	0.6
64.59164	0.3
64.72140	0.3
64.75934	0.3
65.00206	0.6
70.05208	0.4
70.05605	0.7
75.98683	0.3
83.01275	0.5
96.95894	0.7
98.19896	0.4
107.01263	1.3
117.03378	0.9
125.02349	1.0
132.02122	0.3
133.02820	0.3
137.02332	0.4
149.02318	0.4
150.03078	0.6
151.00269	3.5
151.03453	0.3
155.04878	0.3
159.04443	0.6
163.00296	0.3
164.01045	0.3
165.05470	1.0
169.01300	1.0
169.02596	0.3
175.04025	0.4
178.99821	0.7
183.04443	3.1
185.02272	0.7
187.03944	0.6
195.06607	0.7
199.03931	0.5
211.03966	3.3
217.04781	0.3
227.03432	3.3
228.03769	0.4
229.04955	0.7
255.02957	49.2
256.03345	3.5
257.04395	0.4
283.02460	100.0
284.03098	18.0
285.03989	11.7
286.04398	0.7
295.05704	0.4
311.05612	0.4
313.07230	0.5
327.04904	0.6
345.58630	0.3
367.08289	0.3
407.07504	0.5
428.07434	13.4
429.08096	4.8
430.08725	0.5
431.09781	4.0
432.10294	0.5
471.09244	0.4
479.26697	0.3
539.21307	0.9
575.14038	86.6
576.14337	12.0
576.23450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1031
Annotation	2,6-di-O-Galloylarbutin
Peak:m/z	Relative Intensity
55.01739	0.5
56.55578	0.4
57.03313	2.5
57.61591	0.4
59.01249	2.2
67.01756	1.2
67.94622	0.4
69.03341	0.8
70.03004	1.5
71.01251	5.4
72.99185	1.4
73.02823	1.3
79.01736	0.8
79.47701	0.4
81.03320	0.8
83.01250	1.9
85.02824	3.0
87.00748	1.5
89.02306	1.1
95.01264	3.1
96.95879	5.4
97.02838	1.3
98.20387	0.6
99.00748	0.8
101.02325	4.5
107.01270	7.8
108.02073	2.4
109.02846	5.2
111.00759	3.6
113.02322	2.6
119.03438	0.5
121.02843	0.8
122.03620	0.6
123.00759	11.1
123.04402	2.3
124.01582	2.2
125.02332	63.8
126.02657	1.7
127.00256	1.3
133.02855	1.5
135.04390	0.5
136.98700	1.4
137.02347	2.0
139.00243	3.7
139.03836	0.6
140.01083	4.1
141.01833	1.9
147.04384	0.7
149.02271	3.4
149.06000	0.5
150.03131	5.2
150.41188	0.4
151.00261	8.8
151.03900	4.6
152.00749	0.4
161.02377	4.4
162.03230	0.5
163.03836	0.8
164.01053	1.2
164.04698	1.1
165.01875	1.2
165.05460	5.7
166.06229	0.6
166.99731	1.3
167.03474	1.0
168.00545	7.6
169.01329	65.5
170.01659	3.0
175.03860	2.4
176.01038	0.6
177.01865	1.5
179.03433	1.1
181.04976	0.9
181.08565	1.0
185.00815	0.5
193.01295	0.8
193.04993	0.5
195.06534	2.0
203.07080	0.5
211.02382	0.9
217.04948	0.7
223.02420	0.7
237.03990	0.9
243.02884	1.5
245.04584	0.7
253.03474	1.1
261.04022	0.7
271.36453	0.4
285.03986	1.0
287.05505	2.5
289.07098	2.6
295.04526	0.7
297.06174	0.9
313.05615	10.0
314.05893	1.1
314.11688	1.0
329.14050	3.7
343.14053	2.6
382.06522	0.4
405.08157	0.9
407.07764	0.7
423.09314	35.3
424.09824	3.5
425.92212	0.5
449.08765	1.0
491.19193	24.0
492.19623	2.8
505.81766	0.5
539.21271	19.5
540.21375	2.4
575.10358	100.0
576.10785	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	571.2886
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
73.39023	0.4
73.86767	0.4
74.97394	0.4
78.95772	78.6
96.96835	17.3
101.08423	0.4
134.98424	0.8
147.76187	0.4
150.97943	1.1
152.99481	63.5
153.99838	0.9
171.00558	0.6
223.00089	2.3
229.78493	0.5
241.01135	33.8
242.01468	0.9
255.23253	78.8
256.23618	5.8
259.02292	0.8
264.99030	0.4
315.04840	10.5
316.05164	0.6
330.27487	0.4
334.28757	0.5
362.38025	0.5
391.22534	7.2
571.28833	100.0
572.29150	13.3
572.38379	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20909	1.6
59.01247	40.0
59.48512	1.4
61.98729	1.6
69.28400	16.0
82.08176	1.5
83.04891	3.0
98.20563	3.2
109.76331	1.4
121.02807	1.6
163.11214	3.7
171.10185	6.2
209.11754	100.0
210.12103	6.3
211.13254	1.9
227.12817	13.1
413.03165	2.8
543.13092	2.7
571.13074	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	573.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	2.4
61.98707	1.7
71.01255	1.3
72.99173	0.5
75.00727	0.5
77.73660	0.4
78.95773	19.5
79.95599	3.3
83.01241	0.5
85.02785	0.3
87.00745	0.5
89.02316	0.7
96.95886	100.0
96.96839	32.8
98.02361	2.9
101.02295	1.3
113.02267	0.4
113.99445	0.4
115.00243	0.3
119.04906	1.3
123.00800	0.5
125.02319	1.3
135.04436	0.4
151.00246	0.4
163.03931	0.6
163.05966	0.7
169.01338	1.2
174.01694	2.2
206.11813	0.7
209.11836	0.5
229.72839	0.4
255.02966	0.6
256.03638	0.4
283.02399	0.8
285.04056	0.3
355.08057	0.4
408.36893	0.4
453.02399	0.4
455.23181	0.5
573.12946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1455
Annotation	4'-Methoxy-3,3',5-trihydroxystilbene 3'-O-beta-D-(2''-O-galloyl)-glucopyranoside
Peak:m/z	Relative Intensity
54.37367	0.4
55.65564	0.3
56.53229	0.4
59.01247	1.7
59.85098	0.4
67.01763	1.1
68.99673	0.4
69.03333	0.9
69.50780	2.3
69.51196	0.9
71.01250	3.3
72.99164	0.6
73.02816	0.7
74.77720	0.4
79.01776	1.1
81.03341	0.4
83.01256	1.0
85.02824	1.2
86.65887	0.4
87.00737	0.5
89.02333	0.7
93.03339	1.8
95.01238	2.1
97.02834	1.1
101.02319	1.2
106.04124	3.1
107.01266	10.0
107.04909	7.8
108.02042	1.2
109.02846	0.6
111.00764	1.8
113.02319	1.3
119.04942	1.0
121.02835	1.7
123.00768	15.3
124.01530	1.3
125.02329	43.9
126.02700	1.1
127.00308	1.0
133.02835	6.9
135.04396	1.2
136.98692	1.5
137.02414	0.8
138.03119	0.8
139.00269	4.2
140.01064	2.6
141.01808	2.4
145.02850	1.2
150.03136	0.9
151.00270	11.3
151.03923	1.1
153.01840	1.0
154.26123	0.4
163.03900	0.8
165.01811	0.7
165.05597	0.5
168.00546	3.3
169.01331	52.2
170.01678	1.8
179.03471	0.5
191.78499	0.4
193.98514	0.7
194.99246	3.7
211.02382	0.9
211.07600	3.9
213.09142	27.7
214.09502	1.4
227.07092	0.8
239.07091	3.1
241.03432	0.6
253.03445	0.6
257.08118	4.0
297.06296	0.6
313.05612	12.5
314.06000	0.7
321.11298	1.1
350.27274	0.5
365.10117	0.8
401.12234	0.6
419.13455	17.9
420.13882	1.5
527.15527	29.8
528.15808	4.1
535.15173	0.5
553.13293	2.7
554.13647	0.5
571.14520	100.0
572.14862	13.9
572.23944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03320	1.0
58.00491	0.6
59.01256	6.2
66.72240	0.6
71.01247	6.7
71.57832	0.7
71.58224	0.8
72.99174	0.9
73.02828	2.8
83.01263	1.9
85.02827	4.2
87.00762	0.9
89.02330	1.6
93.03317	3.8
95.01244	1.5
96.95896	2.0
99.00760	1.1
101.02316	7.9
105.34890	0.6
108.02064	0.7
108.89780	0.6
111.00736	0.7
112.25736	0.6
113.02316	3.3
119.03410	0.8
121.02860	5.0
122.03622	13.0
123.00793	1.4
123.04425	0.6
125.02345	3.2
133.02832	2.6
134.03616	1.5
135.04431	1.0
136.01529	1.7
137.02318	0.8
139.00294	0.9
149.02342	23.5
149.06004	1.5
150.03125	93.7
151.03459	4.1
161.04424	0.8
163.03928	1.0
164.04677	5.3
165.05476	100.0
166.05824	5.0
167.03462	0.8
169.01326	2.5
171.10159	0.8
177.05409	1.0
180.04198	6.6
181.04947	1.6
195.06549	52.9
196.07156	5.5
211.09732	5.1
237.88141	0.7
272.24518	0.6
344.12592	1.7
359.15042	5.3
373.15009	21.0
374.15210	2.0
407.07568	0.7
452.54034	0.7
521.20239	43.6
522.20795	5.4
569.21930	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	569.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12214	1.4
51.45391	1.3
56.51760	1.2
57.03315	1.2
59.01241	11.7
63.34462	1.3
71.01244	11.9
72.99181	2.3
73.02827	4.5
73.32419	1.4
75.00717	1.2
76.07351	1.2
83.01250	4.2
85.02823	7.0
87.00751	1.8
89.02321	2.8
95.01269	2.7
96.95908	1.9
97.02819	1.9
99.00775	2.2
101.02305	12.3
107.01251	8.3
109.02824	1.9
111.00768	3.2
113.02325	5.1
114.87239	1.4
118.53325	1.3
119.01273	1.6
121.02834	2.6
123.00754	9.8
125.02332	64.4
126.02645	2.1
135.04431	1.6
136.01614	1.6
137.02315	7.2
138.54233	1.2
139.00276	4.3
140.01025	2.5
147.00775	4.3
148.01556	4.4
149.02312	3.1
151.00282	5.3
151.04053	1.5
162.03169	1.8
163.03877	7.7
164.01076	1.4
164.04456	1.3
165.01839	41.4
166.02237	1.6
166.06244	10.6
168.00554	4.9
169.01326	32.9
170.01741	1.6
171.10207	3.1
179.03404	12.8
179.07011	1.4
180.04184	24.1
180.18954	1.5
181.04630	1.3
181.08589	9.5
194.05742	2.9
195.06552	27.6
196.06851	1.5
207.03087	1.7
210.05260	2.6
211.02390	2.1
225.04106	2.3
225.07570	11.6
226.07994	1.6
259.05966	1.9
271.04636	2.1
317.06577	8.8
327.04855	1.9
329.10236	2.5
331.04321	2.4
333.06021	1.9
343.13882	15.0
344.12759	4.4
359.15051	6.9
397.13699	2.1
407.06253	4.5
479.11972	2.1
506.17825	1.6
521.20233	100.0
522.20624	12.3
569.11023	15.8
569.19012	53.8
570.11316	3.0
570.19098	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	569.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.1
57.03292	1.4
59.01254	7.5
61.17899	1.0
65.00181	1.7
67.01759	8.5
68.99673	1.1
69.03298	2.0
69.27665	12.4
71.01244	9.7
72.99173	2.2
73.02815	1.7
79.01749	3.8
80.44318	1.0
83.01250	6.3
85.02811	3.8
87.00763	1.5
89.02299	4.1
93.03346	1.3
95.01267	17.0
95.62055	1.3
96.95852	1.6
97.02803	3.7
101.02325	6.4
107.01263	5.8
109.02829	2.0
111.00771	23.5
113.02313	5.2
121.02850	3.2
123.00764	45.3
123.01666	2.3
123.04417	1.4
124.01560	1.5
125.02338	33.3
126.02669	1.8
127.00211	2.3
135.04405	1.4
136.28917	1.1
136.98683	3.4
137.02342	6.9
139.00258	40.6
140.01089	7.4
141.01845	6.5
149.02357	2.7
151.00261	10.2
151.03851	2.7
153.01805	2.0
161.04544	1.2
163.03867	1.9
165.01831	17.9
166.06296	5.7
166.07437	1.3
166.99763	67.9
167.06964	1.2
168.00519	11.6
169.01331	38.9
170.01656	1.9
171.10159	1.8
177.09146	1.2
179.03380	3.6
180.04166	8.8
181.01407	1.5
181.08603	4.2
183.02873	2.9
183.99904	1.2
185.00816	14.7
193.01360	2.1
195.06546	11.9
210.01500	1.2
210.05251	2.1
211.02373	12.5
225.07658	7.3
255.05017	1.6
271.04538	11.6
297.06171	2.8
313.05722	4.4
329.12280	1.4
331.06796	1.8
343.13943	3.3
357.08316	2.7
359.14584	2.0
397.13571	1.2
399.09052	2.2
407.19247	2.4
417.14581	1.4
431.13364	2.1
443.57184	1.3
491.15396	4.6
495.14975	3.0
521.20227	11.7
551.17664	18.2
552.18048	2.1
558.59937	1.3
569.18689	100.0
570.19141	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	569.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.3
59.01235	2.2
60.43960	0.8
65.00175	1.4
67.01765	7.8
68.93472	0.8
69.75987	1.8
69.76407	3.8
71.01244	4.3
75.00753	1.8
79.01780	1.2
80.14507	0.9
83.01257	4.4
87.00749	1.7
89.02293	1.0
95.01259	13.2
97.02816	3.6
98.31261	1.0
101.02303	2.4
107.01297	1.6
109.02780	1.9
111.00758	27.8
112.01020	1.1
113.02304	3.6
121.02800	1.5
122.99905	2.1
123.00761	30.2
123.04382	1.7
124.01556	1.2
125.02348	12.5
126.31133	0.9
126.32223	0.9
137.02359	1.8
139.00270	48.4
140.00623	1.4
141.01816	3.9
149.02333	3.1
150.03099	2.0
151.00249	1.4
151.03879	2.0
161.02292	1.4
165.01782	1.9
165.05449	3.4
165.98950	3.8
166.06223	1.1
166.99768	100.0
168.00281	4.2
169.01323	13.6
177.09189	2.0
179.03387	1.2
184.00031	2.7
185.00822	23.1
186.01178	1.2
193.01328	1.8
195.06558	2.8
207.02864	1.4
211.02414	7.4
271.04596	11.5
272.05045	1.2
313.05945	1.3
331.06674	3.0
359.14963	2.2
371.11172	1.2
389.12317	2.2
431.13202	2.6
449.12900	1.5
491.15558	4.0
551.17676	17.1
552.17902	4.1
569.18500	18.6
570.19409	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	569.13
Annotation	cudranian 2
Peak:m/z	Relative Intensity
57.03321	8.4
59.01253	7.1
61.98694	2.7
65.00183	3.4
65.89520	0.9
68.99683	0.8
71.01264	5.1
71.58456	1.3
72.62407	0.7
72.99168	1.1
73.02835	0.9
75.00757	0.8
78.95763	1.4
81.03328	2.5
83.01250	6.2
85.02824	2.1
87.00745	1.3
89.02306	1.6
93.03325	3.4
95.01241	2.3
95.04900	1.0
96.95883	7.3
97.02809	2.5
101.02324	2.4
107.01286	6.9
107.04897	3.6
108.02036	1.4
109.02840	5.5
111.00728	1.5
113.02330	1.3
117.03346	5.5
119.04891	2.3
121.02809	3.0
122.03575	1.3
123.00756	5.9
123.04408	3.8
124.01558	2.8
125.02332	97.6
126.02621	2.3
133.02808	2.2
134.03624	0.9
135.00839	1.2
135.04373	2.8
136.01546	1.0
137.02339	3.8
139.00255	1.2
139.03870	2.0
139.28044	1.0
141.01839	0.9
145.02827	3.4
148.01674	1.1
149.02338	8.1
150.03046	3.4
151.00267	29.4
151.03839	4.3
152.01086	4.4
153.01811	5.9
159.04373	1.6
161.02304	2.2
162.03087	1.3
163.03897	3.9
165.01828	5.8
165.05466	1.4
168.00514	1.3
169.01332	10.6
171.10201	2.3
172.05220	1.7
173.05963	4.8
175.03922	3.0
176.01048	3.2
177.05521	1.5
178.99786	12.9
179.03421	7.1
180.04048	1.6
181.04968	1.3
181.06424	1.2
187.07596	1.6
188.58865	0.9
195.06560	1.3
196.96764	0.9
197.05887	1.8
198.40785	0.9
199.03870	1.4
200.01120	3.7
201.01413	1.7
201.05487	4.5
202.00859	2.8
203.03452	0.9
211.02568	1.3
213.05525	0.9
215.07083	5.2
225.05397	2.7
231.10246	0.9
241.05017	4.4
243.06610	10.1
245.08241	1.0
259.06110	23.8
268.03839	2.1
269.04535	100.0
270.04846	7.6
271.06134	2.4
272.06400	1.1
283.06146	1.0
285.04047	2.4
287.05606	2.9
289.07138	6.0
299.05490	1.1
303.05066	2.9
311.05576	1.1
329.10236	1.4
341.05350	1.1
341.09940	1.5
344.12436	2.3
359.15051	5.3
371.14853	2.7
379.08157	15.9
380.08371	1.4
389.06656	18.2
390.06766	2.4
407.07693	33.3
408.08105	3.3
431.09814	26.9
432.10028	3.3
449.10733	2.8
449.27463	1.5
523.34607	1.8
568.26184	1.1
569.12872	26.5
569.25873	20.9
570.13293	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	567.375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73828	7.1
52.28435	7.2
53.17154	6.9
55.01742	7.3
59.01247	88.7
61.31151	6.7
61.74399	6.7
61.98697	48.5
66.42820	6.3
71.01244	49.5
71.58520	9.5
73.02797	9.3
83.01272	7.9
85.02800	18.7
88.27229	6.8
89.02307	14.4
101.01704	7.8
101.02328	29.4
113.02340	20.5
125.02334	7.0
130.78198	7.2
141.01584	19.0
145.02831	9.7
151.00252	13.7
165.05421	9.2
173.98424	7.6
211.13445	10.4
345.29999	10.8
348.41150	7.8
349.26215	6.9
507.35385	100.0
508.35931	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	569.13
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83762	0.6
57.03347	0.6
59.01249	4.4
60.00772	0.6
61.98694	4.5
63.02261	1.5
65.00193	5.8
67.01761	1.3
68.99681	0.6
69.03309	0.8
71.01252	7.6
72.99193	0.7
73.02821	0.8
77.43693	0.5
78.95798	0.6
81.03340	0.9
83.01255	6.4
85.02829	2.2
89.02305	1.3
93.03333	0.6
95.01282	1.7
97.02840	2.3
99.42425	0.6
101.02317	2.6
107.01268	14.8
108.02054	1.2
111.00755	1.8
113.02316	1.9
117.03333	1.0
119.04890	0.6
123.00762	9.3
124.01551	0.9
125.02333	59.5
126.02649	1.9
130.50121	0.5
133.02866	0.7
136.01538	1.6
136.98706	0.8
139.00293	2.1
140.01039	2.1
141.01820	1.0
141.06979	0.9
145.02817	2.2
145.06490	6.5
147.04398	0.7
149.02370	1.2
151.00270	21.2
161.04443	0.8
164.01038	2.6
167.03514	0.9
168.00536	4.5
169.01331	73.7
169.06467	3.7
170.01662	2.5
171.04425	9.1
171.10181	2.0
172.05161	1.3
175.00217	0.9
183.08060	1.8
185.06000	1.6
187.07552	5.0
193.01331	0.7
196.00027	0.9
211.02388	6.6
211.07578	9.4
212.02840	0.6
213.05498	8.5
229.72046	0.6
241.03471	2.8
254.05338	0.6
255.06593	100.0
256.06958	7.9
271.04538	3.5
279.06717	3.7
297.07703	1.2
313.05637	61.0
314.05936	3.6
508.35815	2.4
509.35962	0.9
569.12952	99.0
569.25385	4.0
570.13214	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	567.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	24.5
71.01251	13.3
71.58279	11.8
87.00720	6.6
87.04434	5.9
88.98679	13.8
89.02308	12.7
104.99818	6.3
107.01300	7.1
109.02872	6.2
113.02308	7.5
123.00747	13.1
124.29761	6.5
124.67780	6.4
125.02315	30.8
135.04364	7.2
139.00273	7.1
141.87363	5.9
149.02319	13.2
150.03114	20.3
152.03461	6.7
163.03854	6.7
165.05446	32.8
169.01392	39.8
195.06543	19.8
229.57422	6.5
235.69795	11.2
255.02876	12.3
269.08130	21.4
280.59860	6.7
284.02664	13.1
285.02942	15.2
286.03418	8.1
299.09048	12.4
311.09219	25.1
314.11615	28.5
326.11603	15.3
329.13907	100.0
330.14380	14.7
341.13965	56.5
567.15277	44.8
567.24115	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	567.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.2
55.56900	1.3
57.03311	2.0
59.01247	86.4
60.01581	1.7
61.98699	79.1
69.41019	12.2
71.01249	30.8
72.99168	2.1
73.02828	9.4
75.00737	2.3
76.27217	1.4
76.39285	1.4
78.95798	1.4
80.47561	1.3
83.01238	4.1
85.02818	15.3
87.00723	2.0
89.02316	10.5
90.38351	1.3
95.01266	3.7
99.00763	3.3
101.02316	25.1
111.00780	1.4
113.02322	12.9
119.03376	3.1
125.02277	3.1
143.03384	2.0
159.02893	2.6
161.04477	12.5
165.05469	3.4
313.53110	1.4
329.23047	2.0
345.29938	9.1
506.33853	1.8
507.35306	100.0
508.35730	15.0
567.23413	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21262	0.9
55.01746	1.1
57.03322	1.6
58.00455	1.3
58.21121	1.0
59.01248	32.8
69.53944	1.0
70.98210	1.2
70.98551	2.7
71.01251	37.9
72.99187	2.3
73.02815	3.9
83.01259	2.1
85.02823	10.0
87.00730	2.1
89.02315	32.7
93.03339	3.4
95.01263	3.3
96.95873	1.5
99.00747	1.5
101.02312	18.1
109.02805	1.7
113.02321	13.6
116.79037	1.1
119.03378	15.3
121.02860	7.0
122.03636	12.1
123.00759	2.6
123.04407	1.6
125.02298	3.6
131.03438	1.6
133.02774	1.3
135.04457	1.2
136.01590	1.5
137.02243	1.9
143.03404	2.4
149.02341	36.9
149.04259	1.6
150.03125	95.7
151.03609	2.1
159.02873	2.2
161.02309	1.9
161.04437	8.1
163.03987	2.3
164.04677	11.4
165.05478	100.0
166.05798	4.0
169.01299	4.3
176.04831	1.2
177.01944	1.0
179.03421	2.2
179.05521	12.4
180.04210	6.1
193.08598	2.0
194.05730	2.5
195.06563	70.5
196.06911	3.8
209.08109	7.5
302.03442	1.7
303.03970	1.3
342.10980	5.4
357.13394	63.9
358.13699	4.6
369.43881	1.3
389.62592	1.1
405.15390	4.4
414.15231	1.2
415.12439	2.3
435.08276	2.6
519.18658	2.4
567.13348	3.0
567.20953	11.5
568.20782	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	567.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58231	0.4
59.01035	0.4
59.01254	3.9
65.03826	0.6
65.53931	0.4
67.01740	0.5
69.03326	0.7
71.01247	5.9
71.57272	0.6
71.57684	0.6
72.99171	1.0
73.02820	1.8
81.03326	0.5
83.01245	1.3
85.02827	2.5
87.00739	0.5
89.02304	1.7
89.83448	0.4
93.03330	45.8
94.03654	1.0
95.01254	1.9
97.02820	0.6
99.00758	1.7
100.62687	0.4
101.02321	2.7
107.01276	1.2
108.02047	51.1
109.02882	9.0
110.03223	0.4
111.00751	1.9
113.02312	1.7
119.03359	0.5
121.02814	1.0
123.00768	5.8
123.04329	0.5
124.01622	0.6
125.02318	7.0
127.00282	0.7
133.02821	1.8
134.03615	1.9
135.04413	2.5
136.98721	1.0
137.02335	64.5
138.02672	2.2
139.00249	2.6
140.01057	3.1
141.19362	0.5
142.16295	0.5
145.02837	0.8
149.02376	0.6
151.00261	3.4
151.03943	1.4
152.01048	88.3
153.01805	5.6
161.02333	1.1
161.04462	1.1
162.03096	0.5
163.03911	4.2
165.01859	0.5
168.00546	3.6
169.01323	7.9
169.02718	0.5
177.01849	1.0
178.02620	0.7
179.03320	2.0
181.01250	0.4
199.13304	0.7
211.02386	2.5
271.08356	0.6
279.05145	0.7
285.04102	0.7
297.06372	0.5
315.07086	0.9
429.10297	7.3
430.10287	0.5
435.09366	1.1
447.11417	13.0
448.11862	0.8
455.15506	0.7
478.11389	0.5
516.84180	0.4
521.33728	0.5
567.13605	100.0
567.24396	36.8
568.13971	13.3
568.24561	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	565.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25132	1.2
53.70424	1.1
55.01757	3.7
55.71074	1.2
57.03328	3.5
58.00455	2.3
59.01247	98.6
60.01588	1.1
61.98706	3.2
71.01250	62.1
72.99183	5.1
73.02833	11.1
75.00726	1.9
75.63141	1.4
78.95782	5.7
83.01266	5.5
85.02818	20.1
87.00769	1.5
89.02316	43.7
93.07003	1.7
95.01273	3.5
97.80460	1.1
99.00766	4.3
101.02318	41.8
109.02829	1.4
113.02323	28.0
116.92767	1.3
119.03387	21.7
125.02359	1.6
131.03384	2.2
135.04417	1.8
135.20990	1.2
138.33107	1.3
143.03383	5.9
145.02838	2.0
159.02924	3.2
161.04460	21.6
179.05524	10.2
213.18517	2.0
229.67593	2.1
265.24405	1.3
331.44324	1.3
343.28485	8.8
505.33801	100.0
506.34027	10.5
565.28125	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	567.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60789	0.2
51.30362	0.2
57.03314	0.2
59.01254	2.0
61.98684	0.6
63.02267	0.6
63.68236	0.2
65.00190	0.3
69.53204	0.9
69.53621	0.3
71.01251	1.5
72.99171	1.0
73.02819	0.6
75.00726	0.4
78.95773	0.3
83.01257	0.4
85.02829	0.5
86.47706	0.2
87.00768	0.2
88.98653	0.3
89.02308	0.7
91.00230	0.8
91.01761	0.5
93.03326	1.8
95.01215	0.3
96.95862	0.2
97.54807	0.1
99.00745	0.3
101.02327	0.7
107.01268	1.9
107.63300	0.2
108.02039	0.3
109.02832	1.3
111.00748	0.2
113.02295	0.5
117.03362	0.4
119.01315	0.2
119.04930	0.3
121.02811	0.2
123.00786	0.4
125.02305	0.3
130.04108	0.2
131.04889	0.4
135.00766	1.0
135.04391	0.4
137.02319	0.5
141.07108	0.2
143.04889	1.3
145.02815	0.5
145.06480	0.2
151.00255	0.9
153.01826	1.1
154.04124	0.5
155.04950	0.2
157.06458	1.0
159.04434	1.9
161.02361	0.3
161.04433	0.2
161.05884	0.2
163.00264	2.1
163.06021	0.2
165.01833	0.6
165.05583	0.2
167.04910	0.7
169.01317	0.7
169.06476	1.1
171.04417	0.7
173.02324	0.4
173.05969	0.5
174.03035	0.2
175.03978	0.2
178.99817	0.2
182.03615	0.3
183.04449	0.6
185.05991	2.6
186.06349	0.2
187.03922	3.7
189.05515	1.3
195.04446	0.9
196.05266	0.2
197.05943	1.2
198.03220	0.4
199.03894	0.9
201.05548	0.7
209.11847	0.3
211.03932	2.1
212.04503	0.2
213.05507	2.0
214.02588	0.4
215.03468	0.4
223.03973	0.4
226.02751	0.2
227.03448	2.9
228.03870	0.2
229.05005	13.0
230.05453	0.8
235.08101	0.2
239.03410	1.3
240.04213	1.0
241.04991	1.7
243.02959	0.6
255.02924	1.2
256.03668	0.9
257.04523	6.8
258.04871	0.5
267.03009	1.0
271.02505	0.2
271.38684	0.2
281.06644	0.7
284.03162	0.4
285.04022	100.0
286.04361	7.7
300.02682	0.6
301.03604	0.8
341.23181	0.3
431.09961	0.2
506.33948	0.4
507.35364	2.1
567.11310	3.1
567.24286	0.7
568.11945	0.5
568.31818	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1198
Annotation	Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
50.43139	0.4
56.40258	0.4
59.01231	0.9
63.02282	0.6
65.00186	1.8
65.49262	0.4
69.27761	1.8
69.28194	2.1
83.01247	1.4
86.20243	0.4
93.03326	0.4
96.95874	0.5
98.20566	0.8
107.01268	4.7
108.02065	1.1
109.02848	0.9
121.02863	4.4
125.02311	1.2
126.37301	0.3
148.01607	0.9
149.02365	0.8
151.00270	20.5
152.00911	0.5
159.04376	0.6
162.99037	0.4
163.00198	1.9
163.03934	0.6
164.00966	0.4
169.01340	2.2
175.03867	0.4
178.99782	10.1
192.00589	0.6
193.07111	0.4
199.03839	0.8
203.03352	0.5
211.03836	0.6
216.04208	0.8
226.02657	0.8
227.03433	2.2
243.02936	6.7
244.03479	1.0
245.04491	1.1
254.02237	1.9
255.02954	21.2
256.03354	1.9
259.79410	0.4
271.02463	43.1
272.02994	4.0
273.04013	1.1
283.02496	0.6
299.02008	6.0
300.02725	100.0
301.03470	74.7
302.03949	4.9
306.11789	0.5
329.54529	0.4
347.32230	0.4
403.13693	1.0
433.07715	99.3
434.08078	11.6
537.99457	0.4
565.11499	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	565.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.5
58.00465	1.3
59.01251	35.8
60.01608	0.7
61.98694	0.7
69.03333	1.0
70.77090	0.7
71.01251	12.5
71.04899	0.9
71.58633	1.2
71.59004	0.7
72.99184	5.0
73.02821	8.5
78.95765	1.0
83.01265	1.2
83.04882	0.5
84.94162	0.6
85.02821	5.1
85.99933	0.6
87.00760	4.5
89.02317	7.9
95.01260	1.0
96.95895	3.1
97.06472	5.9
99.00725	0.7
99.08032	1.6
101.02328	16.7
103.03887	6.6
108.02042	1.9
109.02842	2.0
113.02332	2.1
115.03860	1.5
116.92771	1.2
119.03406	4.2
119.04969	0.8
122.03603	1.1
123.00807	1.4
125.02353	5.3
127.03896	1.0
131.03424	2.3
133.02856	0.6
137.02324	1.1
137.09616	1.3
143.03438	3.2
145.02850	0.9
145.04968	1.9
147.04419	1.3
148.95500	0.6
149.06039	1.9
151.03954	0.7
152.01051	1.2
153.01810	1.1
153.12762	59.0
154.13109	3.4
155.39479	0.7
161.04494	0.8
163.06053	22.4
168.00508	0.7
169.01318	3.2
178.92424	0.6
179.05629	0.7
179.10706	17.9
182.49519	0.6
184.52168	0.6
197.11774	100.0
198.12108	5.5
204.49364	0.7
205.07111	5.1
211.02448	1.2
219.06598	0.7
265.09335	1.6
306.43466	0.7
307.10226	3.1
327.21667	1.1
328.50653	0.7
329.45676	0.6
343.15640	1.6
385.16870	1.1
401.10214	0.6
403.17508	1.7
418.44498	0.6
485.68115	0.6
505.22830	1.1
505.26996	0.7
505.33655	3.1
513.59564	0.7
565.15417	1.1
565.23022	7.2
566.22833	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01232	2.4
63.02250	1.4
64.00604	0.6
65.00191	3.3
71.01240	2.4
83.00799	0.8
83.01224	3.9
85.02821	1.9
89.02298	1.8
96.95878	4.1
97.89741	0.6
98.19763	1.6
98.95454	1.0
98.96038	0.6
101.02361	1.2
107.01263	7.1
109.02837	0.7
113.02310	2.3
121.02834	5.9
125.02324	1.9
149.02336	0.9
151.00270	30.9
152.00569	1.2
163.00186	0.8
169.01329	2.7
173.94016	0.7
175.04036	1.1
178.99800	15.2
180.00081	0.7
223.13509	0.7
227.03459	2.0
229.05057	0.8
243.02943	4.7
245.04475	1.0
254.02316	1.6
255.02933	12.5
255.05434	1.1
256.03354	1.2
271.02444	29.9
272.02872	2.9
273.04037	1.7
299.01920	9.7
300.02740	55.8
301.03497	90.1
302.03821	7.1
313.11002	1.4
433.07724	100.0
434.07947	10.7
565.11700	6.9
565.24902	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	565.0473
Annotation	UDPglucose
Peak:m/z	Relative Intensity
58.47224	0.4
62.96274	0.6
65.43419	0.5
70.00095	2.0
78.95772	100.0
82.69699	0.4
96.96835	40.3
111.01884	9.5
120.96851	1.7
138.97929	3.1
141.95796	0.5
150.97922	3.0
158.92444	13.9
158.93755	0.7
162.97905	0.5
164.03416	0.5
174.97911	1.1
176.93488	1.6
192.98994	1.2
199.23434	0.5
211.00058	5.6
215.37785	0.4
223.00076	0.6
224.35693	0.4
241.01115	8.2
260.48206	0.4
272.95688	6.5
280.02307	2.1
305.01611	1.0
320.97867	2.3
323.02826	53.4
324.03238	2.1
354.83206	0.4
384.98291	4.3
402.99515	1.6
450.24765	0.4
540.25037	0.5
565.04736	16.0
566.05084	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	565.029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65405	0.3
57.02013	0.3
59.01256	0.6
62.90991	0.3
65.99736	0.3
68.53062	0.3
72.99226	0.3
83.01243	0.4
92.66869	0.3
99.92448	9.5
112.21191	0.3
116.92738	100.0
117.92748	5.3
123.00716	0.5
125.02361	0.8
134.32661	0.3
137.02309	0.3
145.02859	0.7
151.00267	0.9
152.00897	0.3
162.02057	0.3
169.01360	0.4
178.01543	0.3
194.00861	0.9
232.69650	0.3
271.02487	0.9
271.80603	0.4
300.02762	0.8
301.03418	0.7
312.05234	0.4
383.04675	0.4
447.09412	1.1
523.29828	0.4
547.01959	0.9
565.13110	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.29906	1.0
77.14553	1.1
78.95773	17.9
96.96822	1.8
152.99486	24.6
158.65552	1.0
171.00560	7.2
171.01816	1.1
195.13843	1.4
197.11743	11.5
205.12212	2.5
210.98567	1.2
223.13338	20.7
224.13689	1.2
227.03015	1.3
245.04272	31.6
246.04599	1.5
253.21686	17.7
254.21951	1.9
255.23174	2.1
267.01129	5.3
325.11707	1.3
327.03299	1.7
481.25714	37.0
482.25992	4.8
492.88135	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16667	2.1
54.65086	2.1
55.32885	2.2
71.55917	3.1
72.99160	8.7
76.38617	2.1
78.95765	8.6
82.97266	2.3
87.92398	22.8
90.94736	5.0
93.03333	7.2
96.96830	5.7
103.91898	39.9
104.92678	20.4
105.93467	4.4
106.04101	5.7
106.94279	2.7
107.04884	6.4
108.02058	7.4
109.02864	4.3
119.04909	4.5
121.02853	14.7
123.04383	10.0
123.94534	21.3
130.94252	10.0
133.02794	3.9
134.03624	4.5
138.03117	3.5
145.02838	3.2
146.03682	4.0
147.04411	8.6
149.05943	3.3
151.94063	3.2
157.92979	5.9
162.03081	8.0
163.03912	2.2
165.05449	6.2
175.03912	7.4
179.03436	2.9
181.04906	2.4
189.00035	2.3
190.97964	2.3
194.97374	3.4
206.97406	2.6
219.98250	4.4
220.98994	4.2
230.98518	3.4
234.96780	4.9
236.98529	9.8
244.99048	4.5
249.95688	5.5
250.96376	5.2
251.97049	2.7
253.98766	2.5
255.05080	13.9
263.97293	15.9
264.98001	24.2
271.04578	17.4
281.98236	5.5
288.98032	57.5
289.98267	5.7
308.96844	7.5
321.97894	3.9
323.02747	6.2
325.97159	8.2
326.98282	2.6
339.02359	2.7
341.01208	4.0
354.01871	3.3
381.96237	6.1
382.96930	5.5
383.02008	3.1
383.97638	5.3
386.04016	2.4
395.02097	6.9
396.03012	2.7
412.02280	8.8
412.99658	2.7
440.01965	100.0
441.02325	11.5
485.57083	2.6
489.00827	18.9
515.27441	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	563.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	100.0
60.01590	1.0
63.99576	0.6
70.91244	0.7
70.91578	1.7
76.90845	0.7
78.95767	13.9
152.99495	5.4
171.00595	1.6
195.13844	1.0
197.54805	0.7
205.12282	1.2
223.13304	11.5
224.06926	3.3
224.13744	0.8
241.56543	0.7
245.04295	8.2
253.21626	3.7
255.23248	10.8
256.23590	17.0
266.87601	0.8
267.01315	1.0
327.03281	1.0
330.69781	1.0
433.83383	0.8
480.31079	0.9
481.25650	7.8
481.31537	13.6
482.25763	1.2
482.31876	1.5
492.16797	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13089	0.2
63.02267	0.4
65.00220	0.5
65.62489	0.2
69.46142	1.9
69.46543	0.4
83.01273	0.4
92.09749	0.3
98.19785	0.4
107.01272	1.2
117.03399	0.4
125.02322	0.4
151.00276	2.8
155.04932	0.2
159.04375	0.5
163.00322	0.4
164.01089	0.3
169.01323	0.6
171.04422	0.3
182.03633	0.3
183.04428	2.5
184.04854	0.3
187.03871	0.5
211.03911	2.5
212.04332	0.3
227.03468	2.1
241.04953	0.3
255.02962	41.0
256.03323	3.2
257.04410	0.3
281.04382	0.2
283.02463	100.0
284.03049	16.6
285.03998	10.3
286.04376	0.8
326.04276	0.3
327.05060	0.5
416.07434	9.4
417.08231	5.4
418.08514	0.7
431.09741	3.1
432.10114	0.3
563.14014	68.7
564.05334	0.5
564.14349	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	563.1405
Annotation	Kaempferol 3-rhamnoside-4'-xyloside
Peak:m/z	Relative Intensity
56.48414	0.2
62.86341	0.2
63.02275	0.3
64.99939	0.2
65.00231	0.5
69.58397	1.3
83.01260	0.2
93.03325	0.3
98.19635	0.2
107.01283	0.9
117.03341	0.7
124.18024	0.2
125.02357	0.2
135.00705	0.2
151.00273	2.1
151.97232	0.2
159.04437	0.4
164.01031	0.4
169.01318	0.3
182.03699	0.3
183.04456	2.4
185.02365	0.3
187.03888	0.2
197.02443	0.3
199.03871	0.3
204.09717	0.2
211.03941	2.5
213.01813	0.2
216.80814	0.2
226.02675	0.2
227.03468	2.0
228.04076	0.2
239.03291	0.2
241.04948	0.2
255.02963	42.4
256.03342	3.3
283.02463	100.0
284.03033	16.1
285.03928	1.9
416.07462	11.3
417.08200	5.0
418.08786	0.4
431.10199	0.4
444.21796	0.2
459.09372	0.3
563.14026	76.2
564.14331	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	561.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01748	0.9
57.03304	1.7
57.13427	1.0
59.01254	9.6
61.65272	1.0
61.98700	1.0
62.07501	1.0
66.92181	1.0
67.01746	1.3
69.34748	10.4
71.01239	10.6
72.99168	1.9
73.02804	1.7
77.52035	0.9
78.95769	1.8
79.95615	2.4
83.01239	3.8
83.04874	1.5
85.02805	3.8
86.54306	1.0
89.02312	5.7
95.01241	2.9
96.95881	100.0
97.02811	1.9
99.00734	1.7
101.02316	5.9
107.01275	6.1
108.02045	2.1
109.02805	3.6
111.00739	4.2
113.02290	3.6
117.03333	13.2
119.04914	18.9
121.02786	4.2
123.00777	15.5
123.04364	2.2
125.02328	38.4
126.02645	1.2
133.02861	1.7
136.98660	3.1
137.02336	3.3
139.00264	6.3
139.03889	1.4
140.00967	3.6
141.01787	2.3
145.02844	43.2
149.02373	1.2
151.00272	17.2
151.03865	3.4
152.00844	1.6
153.01849	2.9
160.01546	1.1
161.02428	1.3
161.04443	1.7
162.03055	1.0
163.03902	19.9
166.30270	1.1
166.99702	1.8
168.00584	5.6
169.01328	47.4
170.01653	3.0
171.10129	3.2
177.01828	1.1
177.03958	2.2
178.99774	8.5
183.13785	4.3
211.02367	1.8
253.05013	1.4
255.02864	3.8
271.02341	3.5
271.04892	1.4
283.02631	1.4
284.03168	1.4
289.07126	9.6
290.07510	1.4
298.01105	1.3
299.01846	3.6
300.02734	7.5
301.03470	5.2
313.05630	3.0
313.92657	1.3
337.09360	1.4
341.05060	2.3
353.06570	1.6
397.11502	5.9
399.10791	3.2
409.15039	2.0
415.12433	83.0
416.12616	7.8
441.08264	9.2
447.09094	1.6
454.52774	1.3
463.08475	5.1
463.21442	4.2
464.09186	3.0
501.16254	5.7
502.17285	1.3
543.14679	1.7
561.15936	79.2
562.16357	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	561.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44012	0.2
53.14162	0.2
59.01252	0.3
69.39510	1.8
70.60021	0.2
71.01262	0.4
79.95599	2.7
95.84587	0.2
96.95884	100.0
98.20503	0.4
109.02857	0.3
111.00740	0.4
125.02330	1.0
151.00291	0.4
178.99716	0.4
234.84108	0.2
255.02916	0.6
262.10471	0.2
271.02469	0.8
283.02777	0.3
289.17368	0.2
300.02710	1.7
301.03409	0.6
316.02142	0.2
409.07379	0.3
463.08847	1.9
464.09052	0.3
472.50558	0.3
511.70691	0.3
561.12103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1456
Annotation	Cassiaoccidentalin A
Peak:m/z	Relative Intensity
57.03323	5.3
59.01258	7.0
63.02264	4.7
65.00187	16.1
69.33102	7.9
71.01244	4.0
72.99137	0.9
78.95807	0.9
79.95583	0.9
83.01259	11.0
85.02799	1.8
88.71365	0.9
89.02296	2.2
91.82330	0.8
95.01252	2.2
96.95882	28.0
99.00784	0.9
101.02300	1.4
107.01266	26.7
109.02836	1.9
113.02344	1.8
117.03372	1.3
119.04916	1.2
121.02853	1.1
124.01533	3.4
125.02331	32.8
126.02676	1.8
131.04848	0.9
137.02347	2.2
145.02821	1.8
145.06474	1.3
146.03557	1.1
147.04393	1.0
149.02325	2.0
151.00267	100.0
152.01018	6.4
153.01823	2.1
158.03642	1.1
161.02327	2.6
163.00264	5.2
163.03891	2.4
164.01009	3.4
165.01807	2.2
169.01337	15.4
169.06332	1.0
171.08055	1.9
172.05235	1.2
173.06001	1.2
174.03131	1.7
175.03853	2.4
175.07617	1.1
175.21426	1.1
177.01840	1.9
178.99789	24.5
179.99977	1.2
185.06056	1.7
187.03879	1.7
187.07599	2.7
189.01822	3.6
189.05449	4.2
190.02505	1.3
191.03436	3.1
192.00539	6.4
193.01378	8.2
198.03049	2.0
199.03946	1.2
200.04742	1.6
201.01785	1.2
201.05481	1.4
202.02609	2.2
203.03355	1.7
203.07063	2.0
204.00389	1.0
211.04195	1.0
211.07590	1.2
213.05470	1.9
214.02602	2.0
215.03375	3.3
215.07013	10.3
216.04195	4.2
217.01355	3.0
217.04982	11.5
218.05609	1.0
219.03036	1.0
219.06535	1.4
224.04762	1.0
225.05652	0.9
226.02687	1.0
227.03326	1.7
229.01314	2.1
229.04950	3.8
230.02264	1.7
230.05931	1.3
231.06575	5.6
232.07346	1.8
233.00902	1.5
233.08124	3.4
239.03444	1.2
239.07033	1.5
241.05042	4.1
241.08543	0.9
243.02902	2.1
243.06587	20.4
244.06898	1.1
247.06163	1.4
249.36243	1.1
252.04126	1.1
255.02858	1.4
256.03574	1.4
257.01248	1.0
257.04416	2.1
258.01624	1.6
258.05283	1.1
259.02521	1.6
259.06100	2.6
260.06924	2.4
266.05511	1.1
267.06604	1.1
268.03671	1.4
269.04572	10.2
275.05600	1.4
278.05734	1.0
280.03885	1.9
281.04538	1.1
281.08182	2.5
283.02432	1.6
284.03296	1.2
284.06845	1.2
285.03976	1.4
285.07574	1.0
286.01138	3.5
287.01950	2.5
287.05542	2.3
293.04376	1.4
295.02505	2.6
295.06018	1.7
297.07629	1.8
299.01926	1.6
299.05307	1.2
309.07605	2.5
311.02014	2.0
313.07053	2.1
315.01541	1.7
316.02109	3.3
323.02139	1.7
323.05496	2.1
323.09009	2.1
324.02661	3.0
325.07382	1.3
327.08548	1.0
339.08652	3.0
349.07196	1.6
351.08743	2.7
352.02286	4.7
353.06607	1.3
367.08105	5.6
368.08398	1.7
369.06113	31.2
370.06543	3.4
377.06445	4.6
385.09290	2.1
394.06897	1.4
395.07672	67.4
396.08035	11.7
397.02200	1.6
412.07895	15.8
413.08731	22.5
414.08783	2.2
445.07181	1.1
523.34631	1.3
531.14673	2.0
559.14508	88.3
559.32587	6.5
560.14764	12.2
571.35229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	3.5
59.01247	7.2
63.02256	4.2
65.00191	10.2
69.03302	1.2
70.71794	3.5
71.01255	5.1
72.97421	1.2
72.99181	3.2
75.00732	3.1
83.01248	9.8
85.02808	1.8
88.52556	0.8
89.02325	1.8
95.01286	1.4
96.95872	4.5
101.02330	1.9
103.00214	2.0
107.01264	16.7
107.04953	1.4
108.02122	1.2
109.02857	1.5
113.02300	1.4
119.04859	1.6
123.00766	2.1
123.04441	1.0
124.01520	2.5
125.02331	28.0
135.04454	1.0
137.02283	1.7
145.02850	2.4
146.04497	1.7
149.02325	3.8
150.03059	1.8
151.00270	61.6
152.00934	4.0
153.01791	3.0
153.38593	1.2
159.04492	1.0
161.02319	3.0
161.04485	1.3
163.00232	5.0
163.03920	1.3
164.01041	3.3
165.01807	2.9
165.05412	1.7
169.01337	9.3
173.06070	1.1
174.03151	1.4
175.02354	1.2
175.03847	2.0
177.01855	1.9
177.05534	1.3
178.99791	12.7
179.03493	1.1
179.05481	1.1
187.03929	2.2
187.07542	3.0
189.01839	2.8
189.05511	6.2
190.02467	1.3
191.03374	1.8
192.00554	7.4
193.01390	7.8
197.06047	1.1
201.01970	1.0
201.05470	1.2
202.02669	1.6
202.06355	1.3
203.03441	2.5
203.07066	2.1
209.11938	1.3
213.05331	0.9
214.06329	1.2
215.03592	2.0
215.07016	4.9
216.04247	8.4
217.01355	1.7
217.04968	14.5
219.06526	2.6
229.04912	2.1
230.02089	2.5
231.06529	3.8
232.07246	1.8
233.08147	1.8
241.05026	2.7
243.02785	1.8
243.06569	9.5
244.03725	2.7
245.04463	1.6
247.06068	2.3
253.05078	1.0
255.02757	1.1
257.04498	1.5
258.01611	1.6
258.05231	1.1
259.06000	2.1
260.06851	3.8
261.07791	1.0
269.04562	5.0
271.02167	1.1
275.05563	2.2
279.06488	1.2
285.04053	2.3
286.01175	1.7
287.01929	2.4
287.05563	1.8
289.07111	1.8
295.02618	1.5
297.07578	1.3
300.02756	1.0
301.03378	1.3
301.06998	1.1
314.00723	1.7
315.01337	1.9
316.02124	2.2
323.01843	1.2
323.72031	1.1
325.07117	1.2
339.08716	1.9
341.06299	1.5
341.10062	1.3
351.08508	1.5
352.01917	1.9
353.07019	2.1
367.08081	4.1
369.06091	44.7
370.06223	3.7
384.08331	1.5
385.09158	1.3
395.07666	33.6
396.07901	5.4
412.08032	18.2
413.08704	27.8
414.09103	2.2
523.35236	1.2
559.14532	100.0
559.32672	5.5
560.14777	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	559.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.8
61.98706	1.3
68.34103	0.2
69.66859	0.4
69.67273	1.1
71.01250	0.5
78.95773	12.4
79.01764	0.5
79.95609	2.7
81.83579	0.2
96.95890	100.0
96.96812	19.9
97.95817	0.3
98.02347	1.0
98.20456	0.4
104.47168	0.2
119.04930	0.8
125.02327	0.7
135.02835	0.3
135.04420	0.7
136.59293	0.2
137.02315	0.3
145.02893	0.3
151.00253	0.8
163.00275	0.5
178.99799	0.5
179.03430	1.9
202.02649	0.3
229.20795	0.2
241.01474	0.2
245.00851	0.2
251.02307	0.6
258.01691	0.4
259.02301	0.3
270.01639	0.2
277.00290	0.4
287.01978	0.4
299.09207	2.6
314.00598	0.4
315.01505	0.5
355.05084	0.3
397.05948	3.5
398.06393	0.3
412.07904	0.9
413.08789	1.7
559.14563	2.8
559.31982	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.9
69.45417	7.8
69.45850	5.8
72.99184	11.9
83.01244	5.7
83.97859	1.7
95.04881	1.9
96.95893	3.5
97.02827	4.0
98.20538	3.1
103.00248	18.9
108.02069	1.7
109.02833	10.6
118.60923	1.5
121.02810	5.4
122.03598	3.5
123.00768	3.9
123.04417	20.0
124.01526	1.8
125.02331	16.0
131.04903	2.1
133.02840	2.0
135.04390	8.0
137.02347	17.8
137.05978	2.8
139.03873	4.9
145.02870	2.2
147.04401	7.7
149.02309	9.7
149.05936	5.1
150.03017	2.8
151.03888	7.8
159.04457	11.4
161.02356	14.7
161.05943	6.2
162.03125	8.7
163.03915	13.0
164.01064	2.3
165.01854	18.5
165.05479	3.7
173.02296	2.6
173.05948	4.5
174.03096	2.9
175.03929	13.7
176.04549	1.9
177.05411	4.5
179.03430	4.1
185.06042	1.9
187.03917	7.0
188.04836	1.9
189.01845	2.9
189.05510	4.1
190.02701	2.1
191.03349	8.6
193.05035	2.8
197.05966	2.2
199.03960	2.4
201.05441	8.7
202.06284	2.7
203.03413	5.7
203.07060	7.6
205.04997	17.5
207.83978	1.9
213.05611	2.1
215.03410	3.7
217.04955	3.5
221.04514	2.2
221.08047	3.0
225.05556	2.4
227.03532	3.9
227.06898	3.1
228.04172	3.5
229.05011	9.0
230.05292	2.2
231.02994	4.1
231.06552	3.5
241.04961	11.2
243.02950	5.3
243.06543	2.9
244.03601	3.6
245.04446	4.8
245.08067	2.6
245.35986	2.0
247.06140	16.3
255.02959	2.1
255.06448	2.2
259.06174	3.2
269.04514	5.0
271.06104	4.5
273.04028	3.1
287.05692	3.3
289.07138	8.4
297.04510	2.1
301.07214	3.2
317.06763	4.1
393.10031	3.4
407.06244	11.0
408.06854	2.0
409.52768	2.2
411.10611	3.7
439.10367	2.3
451.10043	3.3
453.11801	5.4
467.81592	1.9
469.11453	21.4
470.11853	2.4
479.10089	2.6
483.09207	10.0
484.10031	1.8
485.10876	6.8
497.11453	2.3
523.08838	4.2
559.10864	100.0
560.11194	18.4
571.92865	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	559.075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63820	0.1
59.01248	0.2
65.00201	0.2
65.76443	0.1
68.61941	0.1
69.37764	0.3
69.38178	0.9
77.75375	0.1
78.73174	0.2
79.95606	2.1
83.01231	0.4
96.95886	100.0
97.95817	0.4
101.02335	0.1
107.01273	0.3
109.02770	0.2
121.02838	0.4
125.02348	0.8
139.50136	0.2
151.00290	1.5
161.02322	0.2
164.01073	0.3
165.01782	0.5
169.01338	0.3
178.99794	1.1
182.93391	0.2
187.04044	0.2
189.01930	0.2
193.01308	0.4
217.04953	0.2
233.00807	0.4
240.90378	0.2
242.02271	0.2
257.04581	0.4
258.23312	0.1
259.06094	0.2
261.51395	0.1
269.04495	0.5
285.04080	1.2
286.01248	0.5
287.02206	0.2
287.05536	0.3
313.07278	0.4
314.04318	2.4
315.05042	1.8
316.02161	0.2
316.05356	0.2
341.06546	0.3
369.06046	0.5
385.09082	0.4
395.07648	0.2
397.08997	0.2
412.08008	0.7
413.02036	0.8
413.08786	1.2
461.10892	3.5
462.11438	0.4
531.14972	0.8
559.14539	3.8
560.14618	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.7
59.01246	1.0
67.01759	0.9
68.99694	1.8
69.03336	0.4
69.42895	1.9
69.43301	0.8
71.01250	0.8
72.98772	0.6
72.99178	9.4
75.00740	2.0
79.01755	0.9
87.00759	2.1
87.64265	0.3
89.95116	0.3
93.03328	8.2
95.01284	1.6
96.95873	0.9
97.02840	0.9
99.00755	1.8
106.04119	0.9
107.04903	5.7
108.02039	0.6
119.04922	1.6
121.02848	0.6
123.00765	24.2
123.04385	0.5
124.01077	0.6
125.02334	4.3
131.04918	0.4
133.02850	1.8
134.03671	0.4
135.04404	7.6
136.04736	0.4
139.00285	3.8
141.01826	4.0
147.04420	1.0
149.05991	3.9
151.00270	39.2
152.00597	1.1
163.03915	3.8
165.05475	19.2
166.05817	1.2
169.01324	4.5
170.34796	0.3
175.03880	2.5
179.01839	0.5
179.03401	8.8
179.04910	0.6
181.03378	0.7
181.04973	11.8
182.05379	0.4
193.04985	7.8
194.05292	0.6
209.04579	0.3
211.05981	2.9
216.85948	0.4
245.54184	0.4
255.05061	6.0
256.05432	0.5
259.06174	1.7
299.05453	0.8
301.07104	2.4
317.06631	19.4
318.07025	1.1
327.05154	1.1
331.04575	6.1
331.08197	0.7
332.04828	0.5
333.06335	1.6
345.06189	1.3
371.04129	0.5
389.05164	1.5
407.06165	100.0
408.06525	9.8
559.22583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04857	0.3
55.66814	0.3
57.03313	0.4
59.01251	2.5
59.04434	0.3
60.84486	0.3
64.17001	0.3
67.01742	0.6
71.01263	2.2
72.99178	0.5
73.02821	0.5
76.43040	0.3
78.95779	1.3
79.01740	0.6
83.01250	0.9
85.02824	1.1
87.00742	0.6
88.26144	0.3
89.02305	0.7
92.88537	0.3
95.01252	1.1
96.95898	1.4
96.96826	1.4
97.02804	0.5
99.00743	0.6
101.02323	1.5
107.01260	2.3
108.47816	0.3
109.02811	0.5
109.99951	0.4
111.00762	2.0
113.02316	0.9
123.00765	12.6
123.04375	0.4
124.84977	0.3
125.02334	13.3
126.02626	0.4
127.00207	0.6
129.81973	0.4
136.98697	1.3
137.02316	0.5
139.00272	4.2
140.01091	2.7
141.01828	1.5
141.09077	0.7
151.00270	7.7
151.03944	0.4
153.01804	0.5
154.99783	0.4
163.03922	0.8
166.99713	0.4
168.00516	3.2
169.01340	16.8
170.01659	0.7
175.03821	0.4
179.03400	0.6
198.19264	0.3
211.02434	3.0
241.07239	0.6
271.04562	3.8
313.05682	1.1
359.14389	0.7
360.14603	0.4
404.66934	0.4
459.15512	0.5
557.22351	100.0
558.22729	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	557.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09509	6.9
53.30753	6.7
59.01233	8.9
70.93024	7.8
71.01260	9.9
74.58191	6.8
83.01310	9.9
87.00752	7.1
96.95905	7.0
97.64792	7.2
101.18542	5.9
103.00272	41.0
109.02809	15.1
111.00783	23.3
111.46650	6.2
121.02815	6.5
123.00761	18.4
123.04358	9.6
125.02327	27.8
135.04346	13.2
137.02351	35.5
139.00282	40.5
147.04398	10.6
151.03876	13.1
159.04361	11.0
161.02351	23.9
162.03133	13.2
163.03810	10.8
166.99779	100.0
169.01329	25.2
169.77454	7.8
175.03993	16.9
177.05450	9.3
179.03418	14.8
180.04245	18.7
185.00829	28.1
201.05287	9.5
203.03282	9.7
213.32181	6.5
227.03371	9.8
230.39876	9.1
245.04254	8.9
267.01404	13.4
268.02353	13.4
289.06909	8.9
324.80872	7.5
329.13873	23.1
389.18173	12.5
405.04428	10.2
469.11526	12.6
473.75388	7.0
513.26862	11.9
557.09229	57.5
557.17682	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	557.096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.5
61.98693	0.7
66.80602	0.3
69.47914	2.1
70.26830	0.2
78.52314	0.3
78.95778	2.6
79.95604	3.1
96.95888	100.0
96.96888	2.6
97.95834	0.4
98.19818	0.6
103.80970	0.2
106.55945	0.3
109.02815	0.3
120.77582	0.2
125.02313	0.5
135.04440	0.3
163.03880	0.3
174.01729	0.3
179.03342	0.2
191.55142	0.3
225.05666	0.2
255.04202	0.4
255.06566	2.4
269.04626	0.4
283.06110	1.3
312.06400	3.1
313.07120	3.4
314.07538	0.3
335.60745	0.3
390.70016	0.2
405.72198	0.3
411.04095	1.0
412.04352	0.3
442.42435	0.3
459.12927	6.7
459.19351	0.5
460.13275	0.8
557.26422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	92.0
63.00245	3.5
69.41698	13.5
69.42123	17.7
71.01260	33.6
72.99187	9.9
73.02811	27.8
80.55969	3.7
85.02827	14.8
87.00765	11.4
89.02301	21.5
95.01275	4.4
96.95871	21.2
101.02319	65.9
103.03875	20.4
113.02346	6.2
115.03886	5.1
115.73716	3.6
119.03392	7.9
121.02795	4.2
123.00759	5.5
125.02314	12.5
131.03386	10.5
143.03389	11.9
145.05000	4.9
145.06273	3.4
151.00290	6.1
163.06023	100.0
163.28375	3.9
169.01347	11.6
175.55713	4.0
205.07103	24.4
211.02448	5.5
265.09210	9.0
271.04681	7.1
331.06238	4.5
438.49783	4.3
495.24326	11.3
555.20856	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	555.284
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01237	1.1
63.96122	1.3
71.01253	7.1
71.51949	0.8
73.02800	1.2
78.98463	5.5
79.95602	11.4
80.96385	73.3
81.03325	1.0
85.02833	2.7
87.00745	2.8
94.97374	1.1
94.97954	16.1
97.02822	1.7
99.00764	0.6
101.02304	2.4
106.97954	2.6
107.35216	0.6
122.97469	3.1
122.98214	0.5
125.02324	2.6
134.97467	5.6
136.98993	1.6
148.99030	6.0
152.98544	6.4
164.98535	12.0
188.96794	0.6
201.27766	0.6
206.99596	2.3
225.00690	15.7
255.23230	2.5
299.04495	3.9
314.61984	0.7
555.28369	100.0
556.28796	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	555.223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	1.5
71.01167	1.1
71.37525	2.9
72.99152	1.3
79.24371	1.1
93.03346	6.6
101.02261	1.3
108.02055	1.6
109.02805	3.2
119.04970	2.0
120.01125	1.3
121.02837	12.3
122.03642	10.7
123.00773	4.8
123.04449	1.6
133.02826	4.4
135.04424	4.0
137.02257	1.4
147.04419	2.6
149.02344	61.5
149.05927	1.4
150.03131	78.9
151.00235	5.4
151.03586	1.8
152.00648	2.1
153.01874	1.7
153.75159	1.1
159.04407	1.9
160.05165	4.6
161.05971	2.8
163.03888	5.2
164.04681	14.0
165.05476	75.9
166.05836	6.4
169.01323	1.4
175.07562	3.3
177.05450	1.3
179.07083	1.9
180.04199	6.1
195.06544	37.5
196.06874	1.6
207.06606	1.5
238.14957	1.2
241.08592	1.9
269.08130	3.8
269.11688	1.9
272.89505	1.4
296.10580	2.6
297.11429	8.2
300.09836	1.5
302.07672	1.4
311.09177	3.9
314.11520	5.0
315.12317	3.4
317.06674	4.0
318.06891	3.7
319.07104	4.0
326.11545	3.3
327.12338	1.9
329.13913	24.0
330.14139	1.4
341.13837	6.1
371.26373	1.3
409.06940	2.2
431.15057	5.8
433.16394	4.1
451.53812	1.3
462.16589	3.6
462.38977	1.5
477.19147	14.3
478.19110	2.3
489.19025	1.5
492.17548	2.3
507.20203	100.0
508.20477	14.6
555.21771	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	555.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84879	0.4
59.01246	0.9
59.13941	0.3
61.98706	0.5
62.49209	0.3
65.86087	0.4
67.53822	0.3
69.44336	1.9
69.44765	1.4
71.01230	0.4
72.99187	0.7
75.00706	0.5
83.01286	0.4
83.89843	0.3
86.97601	0.4
93.03329	4.4
95.01282	0.6
96.95893	0.6
104.22298	0.4
104.73990	0.4
107.04940	0.5
108.02023	0.6
109.02847	0.9
111.00764	0.5
119.04904	0.5
121.02840	6.4
122.03623	11.6
123.00742	2.4
123.04433	0.6
125.02347	1.6
129.43135	0.4
133.02853	1.8
134.03595	0.6
135.04414	1.8
136.01570	1.4
137.02301	1.1
139.00171	0.5
141.01860	0.4
145.02866	0.5
147.04396	1.0
149.01414	0.5
149.02344	22.2
150.03128	86.1
151.00272	1.8
151.03413	3.0
152.00677	0.7
153.77374	0.4
159.04434	0.5
160.05234	0.5
161.05989	0.5
163.03908	2.3
164.04694	5.4
164.05968	0.7
165.05482	100.0
166.05814	4.7
169.01286	1.2
175.07568	0.5
179.03337	0.5
179.07074	0.9
180.04208	5.7
181.08725	0.4
192.04156	0.9
195.06558	73.8
196.06883	4.6
207.06548	1.6
237.07520	0.7
240.04137	1.4
251.07533	0.4
255.06752	0.4
267.10162	0.4
269.08234	3.7
269.11282	0.6
271.09976	0.5
281.08163	0.5
282.09091	0.5
283.09747	2.6
289.07077	0.5
295.06003	1.8
297.11270	2.4
298.08459	0.8
299.09213	3.0
310.08411	1.1
311.09320	3.7
313.10672	2.1
314.11566	5.7
315.12115	1.2
316.38922	0.5
317.06625	1.5
318.06912	1.6
319.07190	2.0
325.10651	2.1
326.11551	2.7
329.13928	20.0
330.14362	1.8
341.13937	12.6
342.14310	1.2
343.11908	0.8
373.12833	0.8
409.06476	0.8
431.14899	0.7
433.16208	0.7
462.16846	0.6
477.19174	3.7
489.18671	0.4
507.20209	12.6
508.20453	1.4
537.21088	0.6
555.23016	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	555.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21767	0.9
53.23709	0.9
59.01254	11.1
65.43527	0.9
67.01739	1.0
71.01260	6.7
71.57630	1.0
72.99174	1.6
73.02813	2.0
75.00736	2.7
78.88757	1.0
83.01273	3.3
84.44476	1.0
85.02814	1.8
87.00759	1.8
89.02322	6.1
95.01269	3.4
96.95890	7.1
101.02324	5.5
107.01260	6.2
109.02825	1.1
111.00749	3.3
113.02314	3.5
119.03380	3.1
121.02815	1.7
123.00766	14.2
123.04420	1.5
124.01533	1.1
125.02322	29.3
126.02709	1.2
127.00263	4.1
127.34507	1.0
136.98695	2.2
137.02306	2.2
138.03146	1.6
139.00287	5.6
139.03928	2.2
140.01050	4.5
141.01819	2.8
148.01564	2.4
149.02313	5.4
150.03134	3.1
151.00241	9.4
151.03891	3.2
152.00996	1.1
161.04558	1.2
163.03906	3.9
165.01854	4.5
165.05498	3.9
166.02602	7.6
166.06223	1.7
167.03418	2.2
168.00534	7.9
168.07755	1.1
169.01335	46.3
170.01707	2.5
175.03842	1.7
179.03413	1.7
179.05569	1.2
179.07059	2.7
181.04974	5.8
181.08574	1.8
193.05026	1.7
195.06511	1.2
211.02397	18.5
211.06047	3.0
227.35812	1.1
271.04572	27.0
272.05011	1.5
313.05634	5.6
331.06693	4.1
343.13907	7.9
388.67993	1.0
396.03290	1.1
403.12411	6.3
435.11380	1.3
507.18692	13.3
508.19031	2.0
525.19678	3.4
537.19733	3.8
544.16626	1.1
555.13696	8.1
555.20813	100.0
556.13538	2.0
556.21075	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	555.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.7
59.01249	13.5
59.01534	0.9
62.65202	0.6
67.01766	3.3
69.03329	0.9
70.78366	0.6
71.01248	4.4
71.57390	0.5
72.99157	0.9
75.00783	0.7
81.03396	0.9
83.01285	2.4
83.47476	0.5
85.02836	1.6
87.00768	1.5
89.02348	2.7
95.00744	0.9
95.01254	4.4
96.95928	0.7
97.02845	1.5
98.11546	0.6
101.02339	3.0
107.01292	1.8
109.02788	0.7
109.06467	0.9
110.61568	0.7
111.00764	26.5
113.02328	1.4
119.03392	1.2
121.02823	0.6
123.00768	13.6
123.04440	0.7
123.08054	2.6
125.02345	10.3
132.71892	0.6
136.98718	0.9
137.02362	1.1
139.00262	42.8
140.00740	2.0
141.01833	1.8
151.00247	2.4
151.03903	0.7
165.01839	0.7
165.98943	1.3
166.99762	100.0
168.00331	4.8
169.01329	15.1
170.01758	1.0
178.95872	0.6
185.00826	33.4
186.01128	1.4
207.10034	0.8
211.02414	10.3
223.09683	0.8
271.01843	1.1
271.04587	15.2
272.04834	1.5
329.05042	0.8
331.06500	3.1
387.09088	1.0
387.16577	14.4
388.16632	1.8
389.17209	0.9
392.20352	0.7
403.16193	6.4
404.16602	1.0
457.66699	0.6
493.17715	3.7
495.14398	0.6
502.71841	0.6
511.17618	1.7
537.15326	3.3
555.16852	35.2
555.30402	1.3
556.16974	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	553.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	1.4
59.01250	3.1
61.13945	0.4
65.00169	0.5
67.01756	1.1
69.03314	0.8
69.25718	4.6
71.01262	2.9
72.99165	0.6
79.01750	1.6
83.01252	0.6
85.02808	1.8
89.02322	1.1
95.01250	2.1
97.02818	1.4
98.19655	0.4
101.02310	1.5
105.64156	0.5
107.01258	7.1
109.99962	0.5
111.00040	0.4
111.00756	2.7
113.02328	1.5
121.02822	0.7
121.06481	1.9
123.00766	18.0
124.01514	1.8
125.02331	35.4
126.02644	1.3
127.00234	1.4
131.08563	0.8
133.06474	0.7
135.04398	0.6
135.05409	0.4
135.08128	0.5
136.98717	1.0
137.02283	0.5
139.00270	5.4
140.01076	4.8
141.01799	2.2
144.05717	2.5
144.76939	0.5
149.09622	1.3
151.00266	10.2
151.03911	0.6
151.07513	1.0
153.01863	0.6
159.08072	2.0
161.05980	1.0
161.09669	0.5
163.07526	0.4
167.03400	0.9
168.00560	8.0
169.01331	58.0
170.01726	2.5
173.09631	0.6
177.09116	6.6
184.90547	0.5
188.08354	0.7
191.10733	0.8
193.01392	0.6
203.10681	1.6
205.08754	1.0
206.09402	0.7
211.02411	14.4
212.02753	0.9
221.11745	3.2
223.02391	1.1
238.12071	1.4
241.03481	0.8
253.03439	1.0
271.04562	12.3
272.04971	1.5
297.06201	0.9
313.05606	15.1
314.06064	1.4
331.06253	0.7
535.18170	1.9
553.19226	100.0
554.19562	15.4
554.28046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48026	0.8
51.90918	0.8
54.90882	0.8
57.02019	0.8
59.01237	1.9
69.23700	3.9
69.24129	5.0
71.01244	1.7
76.77233	0.9
79.65773	0.9
97.02829	0.9
107.01260	3.8
111.00776	1.5
123.00769	8.9
125.02328	17.9
139.00281	3.4
139.03830	1.0
140.01022	2.6
141.01808	1.8
144.05731	1.1
149.09650	1.0
151.00269	8.0
159.08067	1.4
163.07552	0.9
168.00610	4.4
169.01321	43.1
170.01688	2.2
177.09106	6.4
203.10741	1.3
205.08685	1.2
206.18715	0.9
207.10555	0.8
211.02451	9.0
221.11749	1.7
233.31950	1.0
238.12134	1.2
271.04596	7.9
297.06140	1.4
313.05627	12.0
442.00958	0.9
512.95258	0.9
553.19244	100.0
554.19623	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	553.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52851	1.2
59.01240	3.4
71.01247	6.8
79.01747	1.7
85.02818	2.8
87.00762	2.6
91.06555	1.4
95.01259	2.4
96.95878	2.9
97.02795	2.3
98.20592	2.3
101.02305	4.0
107.01257	9.4
107.04922	9.1
111.00767	1.5
113.02338	2.7
123.00771	17.7
125.02328	45.6
126.02582	1.6
131.04865	4.3
133.06494	7.6
135.04401	3.8
136.98720	2.4
139.00256	3.8
140.01010	3.9
141.01788	2.1
149.05974	5.7
151.00294	11.9
154.99782	1.4
159.84254	1.4
168.00542	4.2
169.01332	73.8
170.01648	2.3
177.05453	7.1
195.06563	1.9
203.03404	14.7
211.02356	2.3
309.03711	1.3
313.05603	37.5
314.06064	1.8
341.08481	1.6
360.24231	1.4
379.42783	1.5
401.10947	6.4
421.11469	8.3
449.10812	7.4
458.63379	1.5
463.12360	6.0
473.11111	4.0
488.89694	1.8
491.11874	4.1
493.09879	13.5
517.09790	20.1
518.10010	2.8
553.11914	100.0
554.12158	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	553.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00493	0.5
59.01244	3.0
67.01765	1.9
68.22394	0.4
68.99684	2.0
69.03340	1.0
69.26015	3.5
69.26447	1.7
71.01250	3.2
71.84797	0.5
72.99181	4.1
74.46429	0.4
75.00745	0.6
79.01753	3.5
87.00746	1.6
89.02343	0.6
91.96933	0.5
93.03329	28.2
94.03656	1.0
95.01263	4.4
97.02811	2.3
99.00764	0.6
101.02312	0.7
103.00241	1.7
106.04123	0.8
106.89580	0.5
107.04914	5.2
108.02058	0.6
112.98660	1.0
113.02340	0.6
119.04922	3.4
123.00762	53.2
123.04431	0.9
124.01118	1.2
125.02327	1.9
134.03642	2.5
135.04411	14.2
139.00261	8.2
139.03954	0.5
141.01833	9.3
145.02869	1.0
147.04388	2.9
149.05983	8.8
150.03107	1.0
151.00269	68.4
152.00578	2.2
163.03906	3.2
165.05478	29.3
166.05836	1.0
169.01358	2.2
175.03938	6.1
179.03424	3.8
180.04199	0.5
181.04974	3.9
193.04990	2.9
195.06551	1.2
209.11774	1.5
211.06076	1.1
219.02943	0.5
255.05043	1.2
259.05997	0.8
299.05627	2.9
300.95023	0.6
301.07141	12.1
302.07684	0.8
317.06625	100.0
318.06985	7.5
327.05081	1.1
331.04547	2.7
331.15463	0.8
333.06039	0.7
345.06058	0.7
361.06323	0.6
371.03851	3.6
389.05145	7.0
390.05374	0.8
407.06165	35.7
408.06561	3.3
447.94534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19802	0.4
58.00458	0.5
59.01242	3.7
61.98670	0.6
67.01745	2.1
68.99667	2.0
69.03316	1.0
71.01251	4.7
71.58471	0.7
72.99171	4.7
73.02800	0.6
75.00737	1.1
78.95779	0.5
79.01763	3.5
81.03338	0.4
83.01255	0.6
87.00759	1.7
89.02316	1.8
93.03330	29.6
94.03661	1.0
95.01261	4.7
96.95879	1.1
97.02828	2.2
99.00776	0.6
101.02306	1.5
102.26541	0.4
103.00230	1.9
106.04119	1.5
107.04900	5.0
108.02062	1.4
109.02845	1.6
111.00764	0.5
112.98676	1.5
113.02314	0.9
116.92728	1.3
117.03289	0.5
117.54324	0.4
119.03466	0.5
119.04916	4.8
121.02854	0.9
123.00761	58.8
123.04372	1.0
124.01098	1.8
125.02323	3.3
133.02829	1.0
134.03630	2.8
135.04413	15.3
136.04785	0.7
137.02353	1.3
139.00275	9.5
139.03915	1.0
141.00771	0.7
141.01833	10.2
145.02811	1.1
147.04411	2.6
149.02257	0.5
149.05978	12.1
150.03149	0.7
151.00266	69.3
152.00641	2.2
153.01845	0.6
161.02330	1.0
161.05986	0.8
163.03918	3.6
163.07547	0.4
165.05476	31.0
166.05786	0.9
166.99702	0.6
167.03436	0.8
168.00629	0.5
169.01350	3.3
174.03142	0.5
175.03931	6.4
179.03407	3.5
179.06993	0.7
181.04984	4.2
186.37817	0.4
188.04776	0.5
193.04980	3.2
197.05991	0.4
209.11728	2.7
210.12120	0.5
211.06068	1.4
219.02904	0.4
225.05511	1.1
240.07912	1.0
241.05005	0.6
243.02939	0.4
255.05106	1.6
259.06134	1.0
271.04886	0.6
271.09732	1.6
279.88647	0.4
285.04117	0.4
289.06888	0.6
299.05682	3.0
301.07172	14.8
302.07489	1.1
303.12225	0.7
317.06628	100.0
318.06961	7.8
327.05151	1.2
331.04504	3.1
345.06192	0.7
361.05515	0.7
371.03995	3.6
383.11179	0.6
389.05029	7.1
397.13342	0.9
401.12360	1.4
407.06152	39.8
408.06488	3.1
435.09445	0.5
489.82458	0.4
553.09796	0.6
553.22021	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	551.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42904	0.7
59.01251	100.0
60.01595	1.1
61.03397	0.7
62.99729	0.7
64.82507	0.8
65.22301	0.7
71.56671	1.0
78.95766	1.1
79.80183	0.8
84.91941	0.8
98.20495	0.9
102.70393	0.9
105.92916	0.8
126.90047	0.8
141.59360	1.0
147.03270	0.8
164.20145	0.7
178.62151	0.9
205.12364	1.0
211.13310	12.5
223.13345	9.2
255.23244	1.6
441.32513	0.9
466.29056	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46390	1.0
58.25117	0.9
59.01252	13.1
59.88430	0.8
64.87975	0.8
66.46269	0.7
66.72067	0.9
69.90021	0.8
71.01243	2.5
89.02328	1.2
89.86465	0.9
91.56244	0.9
101.02312	2.8
111.06353	0.8
119.03398	0.8
126.97863	0.9
134.00423	0.9
235.08145	3.5
253.09213	10.1
255.23256	100.0
256.23596	9.2
284.95328	0.9
373.20419	1.2
396.83438	0.9
536.05042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71509	2.1
58.00455	2.3
59.01246	68.9
61.98696	5.7
69.03341	3.5
70.19075	2.2
71.01250	38.4
71.58125	3.2
72.99174	7.8
73.02820	18.0
78.95787	4.4
83.01243	3.8
85.02806	16.5
87.00734	3.5
89.02309	26.5
97.02828	5.0
101.02312	42.2
103.03889	30.2
113.02307	3.0
115.03883	2.7
119.03362	14.1
123.00785	5.4
125.02316	29.4
131.03362	3.5
143.03403	4.4
145.04956	6.6
151.00256	3.3
163.06036	40.6
169.01375	4.8
183.13821	100.0
184.14133	9.2
205.07101	10.3
206.97862	2.4
211.13274	6.7
247.08037	4.3
254.06985	2.6
262.00143	2.5
307.10388	23.6
491.24652	5.6
551.24933	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	551.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	2.0
59.01249	48.9
63.06749	1.0
69.03318	1.6
70.44419	1.1
71.01250	16.7
72.99170	3.7
73.02827	7.9
81.03336	1.2
83.01208	1.1
85.02364	1.3
85.02811	7.6
87.00740	2.7
89.02313	12.7
90.80309	1.0
95.01244	2.3
96.95852	1.4
97.02813	1.7
98.19801	4.5
99.00768	1.4
101.02312	22.0
103.03886	9.6
107.01273	2.0
109.06639	1.0
113.02321	4.4
115.03907	2.5
119.03395	7.8
119.04903	2.4
121.10100	3.7
123.00763	3.9
124.01520	1.6
125.02337	17.5
131.03418	1.6
136.14406	1.4
137.02348	1.2
139.00223	4.0
139.11154	5.1
140.01088	1.9
143.03384	2.4
145.02849	2.1
145.04959	2.9
151.00299	2.7
159.04274	1.3
163.03943	2.6
163.06041	19.2
166.99770	2.1
168.00548	2.8
169.01340	13.5
179.92712	1.1
183.10181	100.0
184.10522	4.4
200.20570	1.1
205.07140	5.2
207.10130	1.4
211.02383	8.4
219.10196	2.5
229.72879	1.3
232.78235	1.2
255.03011	2.0
258.64575	1.2
271.04608	12.0
283.02420	2.6
284.02716	2.2
285.03119	2.1
299.12958	6.2
307.10214	3.6
311.12979	3.1
313.05585	2.7
331.06500	1.2
341.10114	2.7
359.11380	2.8
374.13708	5.8
389.16095	13.9
390.16171	1.6
405.10403	4.5
485.86206	1.3
536.18909	1.2
551.13232	5.0
551.22192	26.2
551.30475	1.7
552.21198	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	551.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69377	0.9
52.71927	0.9
53.46518	1.0
57.03315	2.1
59.01248	100.0
70.45972	3.0
70.46325	0.9
71.01252	5.9
72.99186	4.0
73.02827	3.5
75.00742	85.1
83.01318	1.2
85.02822	2.4
87.00748	1.7
88.98687	4.0
89.02312	13.9
101.02312	7.6
103.03905	4.3
113.02335	1.2
117.03357	1.4
119.03498	2.3
119.04911	57.7
120.05285	1.8
123.00772	2.4
125.02335	4.7
126.39158	0.9
131.03358	1.3
139.11163	4.8
145.02850	9.2
151.03917	4.3
163.03912	4.3
163.06013	7.6
165.05415	1.8
166.06268	6.1
169.01323	5.0
179.03418	3.7
181.08652	5.6
183.10168	24.8
184.10464	1.4
209.08124	43.2
210.08429	2.3
243.06500	2.5
281.08093	2.0
311.13019	2.0
353.23105	2.8
458.09668	1.0
551.25018	20.1
552.25323	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	551.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20785	0.4
59.01252	9.9
67.65088	0.4
70.01442	2.3
70.33227	0.4
71.01247	6.0
73.64658	0.5
76.00139	0.4
77.10416	0.4
85.02829	1.1
89.02313	7.5
93.03342	4.1
96.95863	0.7
101.02331	2.7
103.43275	0.5
108.16370	0.5
113.02342	2.0
117.03328	0.9
119.03394	2.5
119.04910	2.4
125.02382	1.0
143.03409	0.5
145.02827	0.5
151.00267	0.6
161.04428	0.8
163.03931	0.6
169.01451	0.9
169.02931	0.5
175.03969	4.3
177.05508	0.5
179.05566	2.4
192.30992	0.5
209.09518	0.5
237.09050	2.4
253.08733	2.6
263.90784	0.5
266.05939	0.7
279.06616	0.6
281.08188	100.0
282.08527	9.6
285.04080	1.3
295.09695	1.5
296.10513	13.6
311.12885	83.7
312.13229	8.7
328.10599	0.6
337.24097	0.5
353.23526	0.7
505.33679	0.9
551.25006	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	551.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
59.57503	0.4
60.01581	1.1
69.81139	0.4
71.01241	1.7
71.06672	0.7
73.02836	0.8
85.02827	0.7
89.02294	0.8
101.02309	0.8
113.02351	0.8
119.04910	63.6
120.05241	2.4
123.00823	0.4
123.04425	0.7
125.02356	1.3
130.99463	0.3
135.04390	0.9
136.53192	0.4
140.63342	0.3
151.00284	0.6
151.03918	4.1
161.04417	1.9
163.03856	0.4
165.05460	1.1
166.06247	7.5
168.00569	0.4
169.01326	1.2
175.03989	0.3
179.03392	4.1
181.08621	7.2
193.04982	1.9
194.05779	1.0
209.08125	52.5
210.08437	2.5
281.07938	2.6
281.10785	0.6
296.10373	0.4
311.12930	3.4
454.73889	0.3
505.33438	1.6
551.25012	4.5
552.24780	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.6
59.01249	100.0
60.01578	1.1
61.98353	0.7
61.98695	0.6
70.08952	3.2
71.01245	3.2
72.99186	2.3
73.02829	1.3
75.00742	32.2
85.02829	1.4
87.00760	1.3
88.00273	1.4
88.98630	2.9
89.02309	7.9
101.02304	3.2
102.01773	0.6
103.03896	1.4
104.75327	0.7
113.02338	0.8
119.04913	61.8
120.05272	3.1
120.08493	0.6
121.25412	0.6
123.00760	0.7
125.02378	1.7
139.11183	0.8
151.03923	3.9
161.04451	1.1
163.03914	1.0
163.06010	2.9
165.05486	1.2
166.06276	8.4
169.01401	1.4
179.03378	5.1
181.08615	6.8
183.10217	8.9
193.05040	1.1
194.05817	1.0
209.08125	49.7
210.08536	2.5
281.08163	2.6
281.10760	1.2
311.12958	2.5
456.48334	0.6
551.25085	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	551.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.2
71.01246	9.4
85.02795	5.0
87.96740	2.4
89.02319	4.3
90.52911	2.4
93.03374	3.3
98.20554	4.8
101.02282	2.9
104.30602	2.2
111.00753	2.8
113.02325	8.7
121.02834	23.2
122.03601	9.6
122.62848	2.4
123.00791	3.0
132.02031	4.1
133.02849	3.0
134.02634	3.8
134.03624	48.2
135.04413	2.6
137.02318	5.7
147.04440	2.7
149.02342	21.6
149.05957	13.2
150.03117	64.0
160.01534	14.4
164.04626	6.1
165.01797	9.5
165.05473	74.5
175.03917	22.2
176.04745	2.6
178.02612	23.6
180.04248	6.3
183.10199	4.9
191.06999	5.0
193.04990	100.0
194.05351	6.1
195.06540	50.9
196.07002	3.0
217.05025	3.1
220.03682	4.0
235.06067	8.1
239.07024	2.9
250.06250	4.1
267.06619	3.3
282.08978	9.0
341.10254	52.5
342.10306	5.5
383.11423	5.2
389.12354	20.7
390.12802	3.2
413.55176	2.6
511.06516	2.5
557.36261	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	551.1769
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01741	0.7
57.03322	0.6
59.01249	5.9
59.24953	0.3
65.03825	0.5
69.52692	0.5
69.53107	2.4
71.01254	9.2
72.99181	0.4
73.02821	2.2
81.01916	0.3
83.01272	1.2
85.02823	4.4
87.00748	1.0
87.75867	0.3
89.02316	3.1
91.91512	0.3
93.03330	2.6
95.01277	0.9
95.04929	0.5
99.00758	0.9
101.02315	2.3
106.04121	8.7
106.04848	0.5
107.04908	20.0
108.02061	2.9
108.05236	0.5
109.02879	0.7
113.02324	1.9
121.02860	2.6
125.02341	0.5
131.03391	1.4
138.03133	0.9
145.02850	0.5
146.46756	0.3
150.03119	1.5
161.04471	0.6
182.02115	1.3
211.07596	1.1
213.09146	60.2
214.09471	3.4
255.02795	0.4
257.08218	2.2
285.03915	0.5
419.13412	1.5
431.09702	0.5
551.17645	100.0
552.18011	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	551.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.1
60.98885	1.0
60.99177	14.7
61.98709	1.0
69.03330	0.6
69.60501	0.6
69.70446	2.4
69.70869	1.3
71.00916	0.6
71.01260	4.1
71.04906	0.7
72.99177	2.3
75.00748	1.0
78.95781	0.8
83.01255	1.4
85.02818	1.9
87.00737	2.1
88.98673	100.0
89.02312	4.5
89.99025	1.0
93.81736	0.7
95.04888	0.8
96.95938	0.8
97.02820	2.1
98.20564	0.6
99.00703	0.7
101.02303	2.9
103.00225	2.1
107.01257	1.0
109.02836	2.5
113.02334	1.5
117.03339	4.2
119.04913	5.7
121.02827	0.9
123.00735	1.2
123.04393	1.4
123.51765	0.6
125.02327	7.0
133.04970	0.8
135.04411	5.9
137.02321	2.5
138.03235	0.6
139.00229	0.7
139.03894	8.0
139.07503	0.7
145.02846	14.2
146.03375	0.8
148.90849	1.6
151.00276	5.0
151.03909	1.1
153.01801	0.8
159.04456	1.2
159.40401	0.6
161.02344	2.0
161.04431	0.8
161.05933	0.7
162.03030	0.7
163.03905	5.0
165.01898	1.0
169.01352	3.4
171.10086	0.7
177.01823	1.7
177.05399	0.9
179.03416	2.4
180.24380	0.6
183.02879	1.2
187.03923	0.6
202.94456	0.7
205.05016	1.0
209.11745	3.0
245.08128	1.1
250.94202	4.0
271.05978	2.2
279.12494	0.8
287.05597	3.6
289.07120	5.4
299.09229	5.4
300.09616	1.3
312.74414	0.6
353.23032	1.1
435.10800	1.4
453.18747	0.7
461.11240	1.5
494.58948	0.6
551.25214	17.2
551.70428	0.8
552.25568	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.6
63.72423	1.9
71.01241	6.1
71.56883	3.4
74.53630	1.9
95.01286	2.0
96.95873	4.5
97.02856	2.1
99.00691	2.2
101.02338	2.8
107.01243	7.2
108.63988	1.9
111.00700	4.2
113.02322	4.2
123.00772	25.4
125.02332	72.4
126.02649	3.1
131.04904	10.8
134.03625	5.3
139.00247	6.7
140.01053	3.7
141.01753	2.4
149.05981	23.6
151.00256	15.5
168.00516	4.1
169.01331	100.0
170.01628	3.1
202.29395	2.6
313.05676	33.9
314.06134	3.1
366.40274	2.5
445.11151	8.1
463.12399	49.5
464.12717	7.4
489.10306	8.5
533.09375	5.0
551.10419	77.1
552.10852	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	551.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03281	0.5
59.01257	4.1
60.99179	16.6
69.37728	4.7
71.01257	2.5
72.99178	0.9
73.02825	0.6
79.01763	0.7
85.02845	1.4
87.00767	0.7
88.98677	100.0
89.02310	1.8
89.99014	1.0
95.01286	0.8
97.02847	1.0
101.02326	1.9
109.02832	1.4
111.44514	0.5
113.02325	0.8
117.03353	0.6
119.03439	0.6
119.04948	1.1
121.02812	1.6
123.00766	0.8
125.02328	2.7
133.06425	0.5
137.02435	0.5
139.03912	3.9
145.02826	3.6
150.03123	0.5
151.00255	0.6
161.02347	1.6
163.03918	1.5
164.00957	0.5
165.01814	4.1
165.12831	2.5
168.00548	0.6
169.01314	1.0
177.01810	0.8
179.05530	0.7
183.02910	0.5
183.13844	6.5
193.01389	1.6
197.15433	0.8
197.17189	0.5
209.11847	1.0
211.07535	0.5
225.14841	0.7
227.03427	0.6
227.12857	5.9
240.04247	0.6
241.05043	0.6
257.04550	1.8
259.06091	0.6
269.04510	5.0
269.13797	0.8
285.04059	11.4
286.04794	0.8
299.15073	0.6
314.04297	26.9
315.05078	22.7
316.05530	2.2
316.74155	0.5
329.16125	3.2
355.04468	0.6
389.17999	4.0
404.94675	1.0
461.10889	45.8
462.11093	5.2
550.23578	0.8
551.01105	1.0
551.24451	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	549.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	2.1
57.03320	4.0
58.00473	1.9
59.01251	100.0
60.01584	1.9
71.01254	54.9
72.99178	1.9
73.02819	14.4
83.01277	5.8
85.02821	25.7
89.02327	9.2
95.01256	3.4
95.44210	1.1
98.08317	1.0
99.00741	8.4
101.02319	35.2
102.02672	1.3
113.02338	24.4
119.03366	4.2
125.02312	1.2
127.11169	2.0
143.03391	5.4
152.99455	1.3
159.02898	5.3
161.04474	41.2
162.04778	1.3
165.01825	1.4
168.67078	1.0
174.99223	1.7
179.05495	3.3
205.03481	1.7
211.16914	1.1
217.00197	3.5
240.25850	1.2
289.51831	1.2
297.28012	2.7
327.29044	19.3
328.29416	2.3
369.67029	1.1
489.34335	45.5
490.34528	5.7
549.28497	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	3.1
57.03322	3.4
59.01250	100.0
61.98688	2.1
69.43535	4.1
69.43936	14.1
71.01250	48.3
71.67391	1.7
73.02821	14.5
78.95774	4.2
80.39223	1.9
81.57519	1.7
83.01254	5.8
85.02817	21.9
89.02324	8.6
95.01249	1.8
99.00752	5.6
101.02316	37.2
113.02321	19.5
114.02598	2.1
119.03438	2.1
121.02838	17.3
125.02222	2.5
137.80936	1.7
143.03429	5.7
152.99510	2.9
159.02911	5.2
161.04468	37.5
165.01839	4.4
178.62785	1.9
179.05501	2.3
205.03583	2.0
217.00334	4.9
247.34196	2.0
281.24567	2.3
297.28058	4.7
327.29050	15.6
369.73157	2.3
489.34302	41.8
490.34625	6.4
549.10565	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	549.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	3.2
59.01514	0.7
61.98700	0.4
69.51022	3.1
71.01242	0.8
72.99175	1.7
73.02827	0.6
80.60123	0.5
80.76579	0.4
87.00751	0.4
88.98681	0.5
89.02305	0.7
96.95873	0.5
97.63596	0.4
101.02312	0.9
107.04886	0.6
117.03334	0.4
119.04903	0.4
123.00814	0.8
123.04300	0.5
125.02316	1.6
134.03636	1.1
135.04408	100.0
136.04750	4.6
140.01051	0.5
145.02823	2.3
147.04358	0.9
148.89282	0.4
151.00247	0.7
151.03891	1.0
161.02258	0.6
163.03957	0.8
166.06238	0.6
169.01350	1.7
175.03842	0.6
181.08615	1.3
190.57880	0.4
209.08083	0.4
269.08243	1.3
297.07648	4.9
312.10052	1.7
327.12326	7.4
328.12732	0.7
339.10864	4.5
340.85159	0.5
549.23468	5.4
550.23151	0.5
572.98364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73025	0.1
59.01233	0.4
69.41501	0.8
69.41939	0.2
71.01272	0.1
71.34058	0.1
71.81519	0.1
72.99159	0.1
74.70123	0.1
78.95769	2.6
79.95600	1.9
84.95008	0.1
95.27793	0.1
96.95884	100.0
96.96763	3.8
97.95821	0.3
98.02355	0.8
98.95510	0.1
119.83585	0.1
124.63062	0.1
137.02385	0.1
151.00313	0.1
169.01335	0.2
201.75322	0.1
225.16096	0.1
255.02980	0.9
283.02417	1.7
284.03079	0.4
305.19424	0.1
313.14783	0.1
319.11697	0.1
333.22827	0.2
416.07364	0.2
417.08081	0.1
449.31418	0.1
490.34009	0.7
549.12384	1.6
550.13153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24618	0.7
59.01238	4.1
60.99173	14.8
61.98711	0.8
69.99873	3.9
71.01252	2.2
72.99170	0.8
85.02844	0.7
85.03745	0.7
87.00764	2.1
88.98676	100.0
89.02341	1.3
89.99020	1.2
92.25529	0.8
93.51696	0.7
95.01250	0.9
96.95869	0.8
98.19701	0.9
101.02341	0.9
107.01318	0.8
113.02297	1.2
119.03376	1.1
119.04927	2.2
123.00803	2.4
125.02331	5.4
135.04384	1.9
139.00294	1.2
140.01112	1.1
145.02852	1.7
148.90875	1.2
150.70772	0.8
151.00243	1.8
163.03938	2.6
168.00572	1.2
169.01318	5.1
176.90413	1.2
194.68626	0.8
201.08917	0.7
201.84633	0.7
204.07610	0.8
211.02530	1.2
234.94618	2.4
271.04581	1.5
296.14716	0.8
312.06415	1.0
313.07031	2.3
337.80457	0.9
402.96710	7.5
403.96683	1.1
459.12881	1.2
475.07401	0.8
549.02185	0.8
549.23517	17.6
550.24365	1.2
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
58.63548	0.3
59.01250	63.5
60.01595	0.8
61.98713	0.4
70.47202	1.0
70.77670	0.3
71.01255	0.8
72.01118	0.3
73.02830	0.3
78.95834	0.4
85.02836	0.4
93.03362	0.5
119.04914	100.0
120.05261	3.7
125.02335	0.7
145.02856	0.8
149.05946	0.4
162.86716	0.4
162.96396	0.3
163.03917	0.6
169.01329	0.8
177.01837	0.6
177.05450	0.8
178.02563	0.4
185.02484	0.3
189.52039	0.4
193.04955	0.9
206.05809	0.6
238.04790	1.8
251.37227	0.3
271.04703	0.3
297.07632	0.7
309.26486	0.3
311.09595	0.4
312.10095	0.8
327.12350	70.8
328.12686	6.7
387.18182	0.7
507.34793	0.4
549.22980	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75769	0.6
56.44076	0.6
57.26484	0.6
58.00450	2.5
59.01232	1.4
67.67879	0.6
69.36554	5.2
72.99174	15.7
75.00732	1.5
77.67533	0.6
93.03316	4.7
96.96838	1.1
99.00774	1.4
106.04079	1.1
107.04901	5.5
117.01833	1.6
119.04901	1.3
121.02827	1.4
123.04386	0.7
130.96472	0.7
131.04930	1.2
133.02818	2.5
135.04381	1.9
138.59555	0.7
147.04391	2.0
148.97549	1.3
149.05984	3.8
163.03877	0.7
165.05476	35.1
166.05795	2.0
175.03873	0.9
179.03383	8.3
191.00186	1.9
193.04990	8.5
200.26213	0.6
204.96646	1.1
207.05025	1.8
209.01224	0.8
221.02971	0.8
234.99109	1.6
237.00867	0.9
239.02295	2.1
247.53804	0.6
255.05057	100.0
256.05365	5.8
289.07080	0.7
292.99588	4.5
366.99902	2.3
369.01370	1.1
397.02960	0.9
436.40430	0.7
473.04245	6.2
527.88153	0.6
549.05701	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	549.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46442	0.2
59.01237	0.3
59.37251	0.2
69.74663	1.1
77.03837	1.8
93.03309	0.3
101.03698	0.2
108.82806	0.2
121.02839	100.0
122.03178	3.1
124.54736	0.3
126.02216	0.2
135.39436	0.2
137.02303	0.4
147.04385	0.4
153.90027	0.2
165.01834	50.8
166.02188	1.9
180.05742	0.6
181.06502	2.5
197.06017	2.2
207.04488	0.7
207.08025	0.2
223.03882	0.4
225.05537	1.6
251.07167	0.4
257.09656	0.6
285.08972	0.2
301.08655	0.3
313.07159	1.1
334.07425	0.5
357.05991	0.6
383.07532	0.4
417.09857	2.0
505.11548	2.0
506.11673	0.2
549.10345	24.2
550.10620	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	547.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71556	0.4
57.03319	1.6
58.67500	0.3
59.01248	3.0
60.73658	0.3
61.98703	0.6
67.80203	0.3
69.39163	0.9
69.39574	2.7
71.01257	2.2
72.99184	0.7
73.02818	0.6
78.95777	0.5
81.03332	0.6
83.01221	0.5
83.04891	0.4
83.65861	0.3
85.02832	1.2
89.02315	0.7
93.03317	1.1
95.01248	0.5
96.95896	3.5
97.02834	0.5
98.20527	1.0
98.95479	0.5
101.02324	1.1
107.04925	0.5
109.02852	0.4
113.02340	1.1
117.03342	25.5
118.03690	1.1
119.04914	21.1
120.05257	0.5
121.02850	1.2
121.06452	3.4
123.04406	0.9
123.07984	0.5
125.02354	1.0
131.08543	0.4
133.06535	2.1
135.04399	1.3
135.08015	0.7
144.05707	3.8
145.02852	100.0
146.03200	4.3
147.04407	0.6
149.05972	0.7
149.09619	3.5
151.07536	1.6
158.07234	0.7
159.08064	2.5
161.02473	0.5
161.06004	3.7
161.09605	0.6
163.03914	27.5
163.07602	1.1
164.04201	1.1
165.05446	0.7
167.03555	0.5
175.03856	0.5
175.11171	1.0
177.05524	0.8
177.09116	13.6
179.10698	1.2
187.03929	0.8
188.08354	1.4
191.10715	1.0
193.12222	0.4
203.07097	0.7
203.10721	2.9
205.05005	3.5
205.08585	1.8
206.09348	1.0
217.05016	0.4
221.11765	9.8
222.12128	0.6
235.06125	0.6
238.11880	0.5
239.12839	2.5
245.08131	0.5
247.06033	0.5
247.48268	0.4
255.02925	1.1
265.07205	1.4
283.02426	1.6
284.03159	0.8
285.04013	0.6
289.07135	0.6
307.08221	41.1
308.08533	2.9
347.27362	0.4
369.13303	1.7
427.14001	0.6
547.15363	2.0
547.21802	41.2
548.14410	0.5
548.22205	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	547.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.7
59.01244	3.2
68.95130	0.6
71.01245	3.6
71.58607	1.1
72.99191	1.3
85.02825	1.4
87.00807	0.7
89.02294	1.5
93.03358	1.2
95.52448	0.6
96.95894	3.1
98.95453	1.1
99.00753	1.4
101.02325	1.7
106.43732	0.7
109.99912	0.6
113.02312	1.5
117.03345	26.2
118.03692	1.1
119.04913	22.5
120.05203	1.0
121.02837	1.6
121.06506	4.9
121.61081	0.7
121.89880	0.6
123.04410	0.9
123.08006	1.1
125.02358	1.5
125.41009	0.6
133.02786	1.1
133.06482	2.0
133.20175	0.7
135.04424	1.7
135.08012	0.7
144.05688	3.1
145.02850	100.0
146.03197	4.8
149.09648	2.5
151.00287	1.3
151.07568	2.2
159.08049	2.2
161.02371	2.7
161.05937	4.7
163.03915	25.3
164.04216	1.4
165.05470	1.2
175.07498	0.9
177.05486	1.4
177.09113	12.2
178.09404	1.0
178.99759	0.8
179.10733	1.8
180.06668	1.1
187.03937	1.0
188.08315	1.4
203.10696	2.1
205.01323	1.2
205.05009	2.3
205.08615	1.3
221.11816	9.0
238.12019	0.9
239.12862	2.1
247.06172	1.2
255.05180	1.3
265.07181	1.4
285.04016	2.1
307.08231	37.2
308.08511	2.7
401.12900	0.8
431.09540	1.0
547.21826	37.3
548.22437	6.0
552.29456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17242	0.4
57.03323	2.2
59.01247	2.7
61.98712	0.5
65.69250	0.4
69.03331	0.5
71.01249	2.9
72.99175	0.6
73.02847	0.6
74.02322	0.7
76.90556	0.4
81.43984	0.4
83.01260	0.9
85.02824	1.2
87.00711	0.4
89.02311	0.8
89.20267	0.5
90.92191	0.4
91.88262	0.4
93.03323	0.7
96.95888	1.9
97.02806	1.0
98.95488	1.2
99.05496	0.5
101.02330	1.3
109.02814	1.2
113.02344	1.5
117.03341	25.4
118.03690	0.7
119.04911	20.4
120.05240	0.8
121.02838	1.4
121.06475	4.1
123.04399	1.7
123.08008	1.0
125.02323	1.5
131.08557	0.9
133.02846	0.6
133.06459	2.4
135.04407	1.4
135.08017	0.8
143.04544	1.2
144.05692	3.8
145.02847	100.0
146.03185	4.8
149.09663	2.0
151.03860	0.5
151.07542	1.7
159.04437	0.5
159.08083	3.0
161.02357	1.1
161.06006	5.1
161.09628	0.8
163.03911	29.1
163.07512	1.0
164.04236	1.4
169.01399	0.6
175.11246	0.5
177.03258	2.5
177.05447	1.4
177.09120	11.9
178.09587	0.8
179.10699	1.0
180.06601	0.7
187.03935	1.2
188.08299	1.0
191.10692	1.0
193.12164	0.5
203.10698	3.5
205.05017	4.4
205.08620	1.3
206.09271	0.9
209.04579	0.5
217.08557	1.1
221.11746	9.0
222.12149	0.5
229.87158	0.5
235.06169	0.8
239.12823	1.6
247.06055	0.6
265.07150	1.7
284.03174	0.5
297.81378	0.5
307.08206	39.2
308.08386	2.0
314.00186	0.5
337.12930	1.0
369.13458	4.8
370.13821	0.8
484.18936	0.8
547.21777	39.1
548.22241	6.1
565.59314	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40033	0.4
57.03319	1.7
59.01252	8.2
65.36046	0.4
69.03358	0.6
71.01252	4.9
71.58219	0.7
72.99181	0.6
73.02814	0.9
78.95767	0.9
83.01256	1.0
83.04875	0.4
85.02811	2.5
87.00803	0.5
87.78771	0.4
89.02321	3.5
93.03333	1.4
96.95893	5.2
96.96848	0.8
97.02850	0.4
98.95444	0.7
99.00761	0.5
101.02334	3.2
102.29932	0.4
109.02914	0.5
111.00740	0.7
112.83356	0.4
113.02337	2.4
117.03348	29.5
118.03651	1.2
119.03400	1.9
119.04916	16.7
120.05304	0.6
121.02835	5.3
123.00782	0.7
123.04387	2.4
123.08075	1.1
125.02370	2.4
127.75595	0.4
133.02852	1.8
133.06479	1.7
134.03615	0.6
135.04416	2.0
137.02327	1.3
145.02853	100.0
146.03207	4.7
147.04486	0.5
151.00308	1.0
151.07587	3.0
161.02351	3.0
161.04538	1.0
161.06007	3.4
161.09586	1.2
162.03102	1.9
163.03911	22.5
163.07527	2.1
164.04295	0.5
165.09184	1.3
169.01357	1.2
173.09637	0.7
175.07558	0.4
177.05453	1.4
177.09105	1.0
179.03444	0.7
179.10683	1.5
180.62553	0.4
187.03880	1.1
188.08348	1.2
191.10745	0.6
203.07019	0.5
203.10698	5.1
205.05008	3.8
205.12248	0.6
207.06607	1.2
221.11765	5.9
222.12036	0.4
235.06036	3.1
265.07086	3.7
289.07193	1.0
305.15414	0.8
307.08218	11.0
308.08582	0.8
323.16327	2.2
325.09299	1.1
325.15683	0.5
349.14569	1.1
383.16956	0.6
385.13049	1.3
402.02695	0.6
503.22928	1.0
529.20844	5.4
530.21021	1.0
547.21899	30.4
548.21930	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	547.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70117	0.2
59.01248	3.4
61.98689	0.8
70.99395	0.2
71.01247	0.9
71.57982	0.3
71.58364	0.2
72.99191	0.4
75.00744	0.5
83.01227	0.3
85.02818	0.6
89.02309	0.3
93.03322	2.6
101.02309	0.4
109.02803	0.4
113.02354	0.4
117.03344	14.0
118.03672	0.4
118.29947	0.3
119.04910	4.9
120.05300	0.3
121.40924	0.3
125.02396	0.4
145.02855	100.0
146.03194	5.0
147.04437	0.8
147.62570	0.3
149.02403	1.6
149.06007	0.6
160.01486	0.4
163.03923	3.3
165.05450	0.4
175.03908	1.4
178.58910	0.2
182.74239	0.3
193.04990	0.7
283.02570	0.3
295.09726	0.3
311.09225	7.5
312.09454	0.6
321.07843	0.3
339.08612	0.5
343.11719	0.5
401.08652	1.7
404.02798	0.2
487.32837	0.8
505.33722	0.6
548.61102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94270	0.4
55.01756	0.4
57.03325	1.0
59.01245	8.2
61.23934	0.3
64.59216	0.3
71.01248	6.1
72.99128	0.7
73.02812	1.6
79.31943	0.4
80.88810	0.4
83.01244	0.7
85.02822	1.5
86.05865	0.3
87.00764	0.7
89.02315	4.6
95.01276	0.5
95.04894	0.4
96.95886	1.3
97.02822	1.4
97.06465	0.9
101.02313	6.5
106.03142	0.4
107.04948	0.4
111.08028	0.9
113.02323	2.6
113.09613	1.5
113.69910	0.3
115.07526	0.9
119.03384	1.7
123.04372	0.4
125.05926	0.5
139.11172	0.4
141.09071	1.0
143.03473	0.5
153.12819	0.4
161.04420	2.9
163.11143	0.7
165.12740	3.1
167.10645	0.5
167.14354	1.2
171.10101	0.6
179.05537	1.0
181.12299	2.7
183.13831	0.7
184.78952	0.4
193.12262	1.4
193.15855	0.6
195.13821	2.4
197.11725	1.5
209.11880	0.6
211.13373	2.9
211.15059	0.5
213.14897	0.5
221.15454	2.1
227.12846	0.7
240.13673	0.8
241.14449	0.8
247.20674	3.4
253.09259	20.3
254.09570	0.8
271.02399	0.5
273.18558	2.1
281.21191	1.3
291.19653	34.6
292.20023	3.0
299.02020	0.8
309.20694	100.0
310.21033	9.4
311.22083	0.5
381.44391	0.4
398.09906	0.8
399.10699	0.9
545.16449	1.4
545.29590	11.1
546.17291	0.6
546.30127	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93695	0.4
55.01748	0.5
55.78099	0.4
57.03323	1.2
58.00455	1.6
59.01246	15.1
60.01601	0.4
61.98697	0.7
69.03341	0.6
70.00119	0.3
70.95833	0.3
70.98088	1.1
71.01250	11.6
72.99174	1.0
73.02810	2.9
75.85574	0.5
83.01267	1.3
83.04907	1.1
85.02814	3.0
87.00765	1.2
88.72231	0.5
89.02319	10.7
93.03361	0.6
93.06958	0.6
95.01271	0.8
96.95890	3.0
97.02805	0.9
97.06452	0.5
99.00798	0.6
101.02316	12.3
109.02856	0.4
109.06450	0.9
111.08035	18.6
113.02327	6.3
119.03375	2.8
125.02345	0.9
127.07557	0.8
135.58617	0.4
141.09106	0.6
143.03377	1.2
151.00287	1.3
151.11148	1.2
153.09114	0.8
153.12730	1.6
155.10715	0.5
161.04469	6.2
165.12721	0.4
169.01254	0.6
169.12231	7.4
170.12486	0.5
171.10201	0.6
178.99799	0.5
179.05530	2.1
179.10709	0.8
181.12259	1.2
183.13774	1.0
193.12248	0.5
197.11754	96.5
198.12079	5.6
199.13329	6.2
209.11882	0.7
211.13324	9.3
212.13626	0.5
227.12851	2.8
230.11575	0.4
235.08238	0.8
243.02907	0.5
247.16953	0.5
247.20590	0.7
253.09242	50.9
254.09525	2.3
254.66077	0.5
255.02975	1.6
263.20142	4.7
265.18051	3.5
266.30338	0.4
271.02454	4.5
273.18579	1.4
291.19650	27.6
292.20053	1.8
299.02158	0.7
300.02676	5.1
301.03418	5.2
309.20679	100.0
310.20999	9.4
312.47580	0.4
380.09149	0.7
381.09784	1.3
433.20499	0.5
447.09357	8.5
448.09726	1.2
527.15387	0.4
545.16705	1.3
545.29486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0594
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06686	0.3
70.07097	0.4
79.80589	0.1
79.95598	2.5
81.77063	0.1
88.66698	0.1
96.95882	100.0
97.95805	0.2
123.87165	0.1
151.00261	0.4
185.66139	0.1
255.02989	0.7
271.02530	0.9
294.41049	0.1
300.02722	1.9
301.03503	0.9
393.99469	0.2
402.19751	0.1
447.09296	2.9
448.09415	0.4
463.62042	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	4.5
60.86927	1.2
63.02259	2.5
65.00200	2.0
65.99722	8.3
68.01262	1.7
68.99439	16.0
70.34103	3.2
70.34470	3.0
71.01258	1.8
71.43347	1.3
72.99186	1.4
79.95605	2.8
83.01264	2.1
87.00770	2.2
93.03319	6.8
95.01256	5.2
96.00781	7.3
96.95891	100.0
98.02325	1.8
98.19837	1.4
99.00761	2.3
107.01246	6.6
108.04469	1.7
109.02808	6.5
111.00761	3.9
112.98445	18.8
113.03407	2.3
114.01847	5.4
115.09006	1.3
117.03342	2.1
118.02863	3.3
121.02834	3.9
122.02383	4.1
123.00756	5.7
124.01501	2.4
124.03874	1.3
125.02330	9.4
132.04456	4.6
133.02847	2.8
134.02373	8.7
135.00786	2.3
136.03908	1.9
137.02336	11.8
139.00255	3.9
141.01845	4.4
146.02390	3.6
148.03911	3.5
149.02342	3.6
150.01848	2.5
150.05438	2.0
151.00285	21.5
151.03932	3.6
152.01062	3.2
152.03412	5.8
153.01813	3.5
156.57806	1.3
158.02402	1.3
160.03885	1.9
161.02332	3.2
162.01863	14.7
163.00317	3.6
163.03912	1.7
164.01054	3.8
164.03369	8.9
165.01849	3.4
165.98924	1.6
166.04990	1.8
166.99774	3.9
169.01323	5.8
171.04425	1.6
172.03944	6.2
174.01863	5.0
175.00267	3.3
176.03386	7.4
177.01848	12.7
178.01350	11.3
178.05029	2.3
178.99785	14.7
180.02919	2.8
185.02266	1.4
185.06007	1.7
186.01915	4.4
187.03848	2.1
188.03519	1.7
190.01372	5.9
191.02074	3.2
192.00603	9.1
192.02930	7.5
193.01353	5.6
194.04533	12.1
194.99295	1.5
195.04388	1.5
201.05544	1.7
202.01341	6.0
202.99826	3.3
203.01924	1.8
203.04677	2.2
204.02930	10.2
205.01268	2.7
208.02321	1.7
211.04044	1.9
215.03607	1.8
216.02902	3.7
219.03949	1.8
220.02397	7.8
221.05630	12.5
225.05356	1.4
227.03424	10.5
228.03880	2.1
229.00816	1.4
229.05005	3.2
230.00906	7.7
234.04041	4.0
239.03548	2.1
241.05103	1.5
243.04012	5.4
245.04497	2.0
247.03604	20.4
255.02968	20.9
256.03568	3.8
257.04623	3.9
266.04773	1.6
267.02917	1.5
268.06326	1.5
271.02545	8.5
272.03159	4.4
273.04025	1.8
283.02444	4.7
283.27054	1.6
284.03140	12.7
285.03964	22.4
285.06796	2.5
286.04163	1.7
294.04068	2.9
296.05847	2.1
300.02667	15.6
301.03525	25.6
302.03894	2.8
310.03592	2.7
312.05307	3.0
313.03217	2.1
316.02118	1.5
317.02747	2.0
322.03485	1.3
324.05237	2.2
336.05289	2.4
336.10855	1.9
339.07169	3.6
340.04581	3.5
341.05328	2.2
354.06219	6.6
355.06711	1.5
357.05017	2.3
358.05621	4.8
363.06210	3.9
368.09912	9.1
380.06042	3.6
380.09915	3.9
381.07288	24.8
382.07602	2.4
394.07800	12.6
398.07547	4.3
399.08279	4.3
425.11838	2.7
431.09796	15.7
447.09332	25.0
448.09763	3.9
486.10181	1.9
500.12003	1.6
504.11337	7.2
518.13049	4.2
527.13318	8.0
545.14185	45.6
545.24152	2.7
545.25665	3.2
546.14136	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01236	2.3
71.01251	1.1
71.57926	1.3
73.08594	0.8
75.75508	0.8
80.02529	1.0
81.03320	1.5
81.89615	0.8
83.01279	1.9
83.04893	3.9
83.40003	0.9
84.02052	1.2
87.10453	0.8
99.07468	1.0
125.09602	2.3
128.11681	0.7
135.07997	1.1
140.63623	0.9
163.11191	3.0
165.12737	9.9
171.10149	1.0
183.13828	100.0
184.14128	4.7
196.97299	0.8
209.11769	66.6
210.12091	4.0
211.13286	1.2
225.11018	1.0
227.12848	18.0
228.13139	1.4
283.15289	1.3
301.16595	5.3
307.19208	1.3
347.57291	0.8
393.26193	1.0
467.30103	1.8
493.28235	1.3
511.21851	1.9
511.29065	23.6
512.29181	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	543.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59837	5.9
59.01250	52.4
61.98694	19.1
70.32881	6.3
70.69812	10.2
70.70150	9.2
71.01240	21.5
74.13528	6.1
82.94101	5.7
83.01225	5.6
89.02312	10.0
89.90141	6.8
96.95889	9.3
101.02337	15.0
116.97133	6.4
145.02805	6.2
151.00238	8.7
209.11896	7.4
211.13351	8.6
243.02998	11.2
255.02979	6.9
270.01581	11.5
271.02396	31.0
298.01120	7.0
299.01962	68.1
300.02689	24.9
397.09357	9.2
436.08835	6.8
445.07758	7.8
446.08685	40.7
447.08456	7.3
507.35397	31.3
543.14911	30.2
543.33289	100.0
544.32977	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	543.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08128	1.5
59.01251	100.0
59.75563	1.6
65.32951	1.7
76.33419	1.5
85.46507	1.6
94.51596	1.6
98.19727	3.1
106.87500	1.7
111.08591	1.4
221.25435	1.7
229.54945	2.8
441.09354	1.7
442.78827	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39909	0.5
55.01759	0.9
56.97644	0.5
57.03320	3.8
58.00461	0.8
59.01247	13.5
59.78181	0.6
61.98689	0.8
67.01744	1.0
69.03323	0.6
71.01252	21.0
71.57525	1.0
72.99180	6.8
73.02802	2.1
73.03202	0.6
75.00739	17.0
78.75246	0.6
83.01253	1.3
84.02036	0.6
85.02820	22.3
87.00751	8.5
87.01276	1.0
89.02323	5.9
91.03902	0.6
92.12038	0.6
95.01257	5.1
95.04902	0.6
97.06496	0.9
99.00754	10.0
101.02309	2.7
103.00246	2.7
111.00750	1.1
111.08048	1.1
113.02324	28.9
115.00220	1.4
117.01810	2.2
129.01837	1.2
131.03297	0.7
151.11201	0.7
157.01343	0.9
161.04428	0.7
165.12796	0.9
175.02370	3.9
181.12192	1.8
191.10732	0.8
195.13838	5.2
205.07201	1.2
205.12204	1.0
209.11794	3.8
211.13417	0.7
223.08015	1.0
223.13351	3.1
227.12868	1.2
245.19073	1.6
249.06049	6.0
253.09248	2.8
256.13153	0.6
263.20160	1.6
267.07230	5.7
275.20197	2.9
289.18304	2.9
293.21219	22.2
294.21515	2.2
307.19125	6.1
308.19345	0.9
344.44931	0.6
445.20667	1.1
474.20911	1.3
507.26205	2.2
525.27130	2.1
543.28082	100.0
544.28424	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	543.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12341	0.5
55.01747	0.6
57.03310	1.8
58.00457	0.8
59.01248	16.6
61.66047	0.5
61.98696	0.6
69.03304	1.0
69.73563	0.5
71.01247	12.5
71.57655	0.8
72.99166	1.4
73.02803	2.2
75.00731	0.5
75.15789	0.6
77.91402	0.5
80.02526	0.7
81.03325	1.2
83.01244	2.6
83.04885	1.6
85.02817	3.3
87.00746	1.9
89.02311	9.3
93.03330	0.6
95.01253	1.3
95.04890	1.2
97.02834	2.4
97.06451	4.9
99.00709	0.6
101.02316	11.8
107.04897	0.9
109.63654	0.5
110.03629	0.5
111.04397	1.2
111.08035	0.7
113.02320	5.5
119.02668	0.5
119.03404	3.3
119.08537	0.9
121.06475	1.8
123.04411	2.6
123.08035	1.8
125.02300	1.2
125.05935	0.8
125.09617	5.3
133.04971	0.6
135.08011	0.6
137.02390	0.6
137.05930	0.5
137.09645	2.3
141.09015	0.5
141.12724	0.8
143.03381	1.3
149.05948	1.0
151.11153	0.7
161.04430	5.1
161.09633	0.6
162.10466	0.6
163.07510	0.8
163.11189	6.2
164.11568	0.7
165.09064	0.5
165.12782	1.4
171.10197	1.6
175.11198	0.9
177.12665	0.6
179.05568	1.3
179.10767	0.8
181.12256	1.5
185.11743	6.7
191.10742	0.7
191.14313	7.8
193.12231	0.9
207.10194	3.2
209.11760	22.1
210.12134	1.5
211.13344	2.4
217.15941	1.1
225.11302	4.4
226.11745	0.7
227.12794	0.8
235.08186	1.4
237.11264	10.9
238.11676	0.9
243.17410	0.7
245.19064	15.8
246.19380	1.3
253.09250	39.5
254.09625	1.4
263.20093	5.5
271.17087	2.4
281.21191	1.2
289.18076	82.0
290.18390	8.1
293.21283	0.6
307.19122	100.0
308.19437	9.8
325.20291	0.9
381.26053	0.5
525.26501	0.7
543.28033	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	543.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.1
59.01249	2.7
61.98703	2.5
63.02269	6.6
65.00185	6.8
71.01254	2.3
71.14592	0.8
72.99200	0.9
73.91113	0.6
75.00713	0.5
79.01743	0.7
80.91554	1.3
83.01248	7.3
85.02840	0.6
87.00801	0.7
89.02340	1.6
89.33344	0.5
95.01258	1.3
96.95892	7.8
96.96857	0.6
100.54194	0.5
101.02318	1.5
105.48535	0.5
107.01269	17.3
108.42437	0.5
109.02838	1.3
111.00773	1.3
113.02328	0.8
119.04925	2.5
123.00761	2.2
123.04395	0.7
124.01553	4.9
125.02341	15.4
126.02743	0.5
135.04390	1.5
137.02376	1.5
139.00301	0.6
139.79311	0.6
145.02853	1.0
151.00273	56.1
152.01054	12.9
153.01904	3.6
159.04433	1.6
161.02382	0.9
161.05858	0.5
163.03905	0.7
169.01340	15.6
172.05177	0.8
173.05995	2.3
174.72826	0.5
175.03867	0.8
175.07529	0.6
177.01854	1.9
178.99773	100.0
180.00136	3.4
180.04111	0.5
181.01335	1.3
187.03978	1.1
187.07567	1.2
188.04758	1.0
189.05489	2.3
189.09152	0.8
190.02621	1.2
197.05988	0.7
199.07579	1.7
200.01065	0.7
200.04648	2.5
201.05443	1.0
209.11771	2.1
212.04724	0.9
215.07068	18.8
216.07645	2.2
217.08659	4.4
225.05508	1.5
227.07129	3.4
232.03789	1.2
241.05107	0.7
242.02226	0.9
242.05841	1.2
243.03134	1.1
243.06570	2.6
253.04999	4.2
254.05717	1.1
255.03044	1.5
264.66672	0.5
269.08099	0.9
270.05344	1.2
271.02533	2.9
271.06097	7.7
281.08124	0.6
283.09729	0.8
293.04651	0.6
294.05304	0.9
299.01962	1.5
299.05859	1.1
299.09204	7.9
300.02740	3.2
300.09579	1.0
305.08105	1.0
308.03107	0.7
309.03424	0.6
311.02121	1.2
321.07483	1.3
322.04742	1.4
325.07138	1.3
329.55121	0.6
333.07706	2.9
334.08289	0.8
335.01523	0.6
350.04276	0.6
351.08752	0.9
353.06665	7.2
353.10587	0.7
354.06848	1.0
361.07156	4.5
369.09421	0.9
378.07471	1.7
379.08127	7.8
380.08426	0.8
381.08420	0.7
396.08563	1.4
397.09268	18.6
398.09604	2.0
417.11737	1.2
481.17117	0.7
543.15045	45.7
543.23584	3.8
544.15399	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	543.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65563	0.2
59.01245	0.7
61.98700	0.3
69.05421	0.3
69.41172	2.2
71.01250	0.7
78.95764	2.0
79.95610	3.3
89.02304	0.5
96.95885	100.0
96.96883	3.0
97.95828	0.4
101.02363	0.5
103.00241	0.3
109.54214	0.2
113.02272	0.2
119.04886	0.3
119.10964	0.3
125.02351	0.7
125.87347	0.2
144.07990	0.2
145.02885	0.6
151.00258	0.9
163.03889	0.4
169.01299	0.7
178.99777	0.8
202.60751	0.3
225.56857	0.3
227.03462	0.3
241.05028	2.0
255.02950	0.6
269.04623	1.5
270.05115	0.3
298.04755	3.1
299.05524	3.5
353.06567	1.9
361.06924	0.3
397.02319	0.3
397.09341	0.4
445.11392	6.1
446.11804	0.7
543.15082	2.2
543.23572	0.7
544.15173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62751	0.7
59.01247	12.5
61.98698	2.4
63.02266	1.1
65.00186	1.1
70.64394	2.7
71.01241	5.6
71.04880	1.5
72.99190	2.4
73.02814	2.0
83.01254	1.3
83.04884	0.8
85.02862	2.3
86.53747	0.8
87.00731	2.1
89.02315	6.2
93.03310	1.0
95.04922	1.0
101.02309	5.2
103.00230	1.0
103.60632	0.8
107.01239	0.8
109.06458	3.7
111.04373	1.5
111.08035	1.0
113.02312	2.6
117.03386	1.0
119.03370	2.3
121.02822	2.4
122.90395	1.0
123.04399	1.6
125.02328	2.0
125.09645	1.3
130.04169	1.0
132.02065	1.1
133.99934	1.5
135.04428	0.8
137.02338	1.2
137.09662	1.3
143.04956	1.9
144.76793	0.8
145.02843	4.9
145.06470	1.0
149.99457	3.1
151.00296	2.7
154.04138	2.9
155.04915	2.0
156.02048	8.9
157.02834	2.1
158.03593	2.4
161.02354	2.1
161.04341	1.7
163.03929	1.4
163.11169	2.1
165.98940	0.8
169.01353	1.1
170.03647	2.3
171.04384	3.6
171.10213	0.9
173.02370	2.0
176.98155	0.9
178.99712	1.1
179.10701	1.2
182.03719	4.0
183.04424	2.0
185.11723	1.2
186.03107	5.5
187.03809	1.4
189.01865	1.6
191.14333	2.2
195.13831	0.9
197.11777	4.4
198.03113	5.6
199.03925	4.4
201.01990	0.9
201.11226	1.4
209.11765	3.4
214.02679	15.2
215.03392	5.8
216.00488	0.9
217.01285	1.0
226.02693	6.3
227.03371	1.6
235.07867	1.0
241.01370	22.1
242.02144	36.1
242.04622	1.8
243.02814	6.2
245.00891	12.8
245.18990	4.4
246.01312	0.9
253.05005	1.0
253.09273	11.9
254.02248	1.6
255.02940	4.7
269.00946	1.2
270.01660	49.1
271.02441	42.0
272.02771	3.4
273.00308	1.8
281.04401	0.8
285.04102	2.1
287.16266	1.1
289.18076	61.3
290.18442	3.5
298.01166	37.7
298.03937	0.7
299.01923	44.9
300.02524	6.3
307.19131	9.1
309.04108	1.7
325.07147	1.6
339.08795	1.2
367.08133	1.1
396.08456	34.2
397.09219	71.7
398.09610	9.3
439.10178	2.2
445.07870	1.8
446.08389	5.5
499.25717	1.3
525.26855	3.7
543.15039	100.0
544.15332	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	543.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98036	0.2
55.63393	0.2
57.88830	0.3
59.01248	0.2
64.85201	0.2
65.49598	0.2
66.86066	0.2
68.89643	0.2
69.47102	2.1
78.95770	1.9
79.95604	2.9
89.02280	0.3
96.81665	0.2
96.95884	100.0
96.96886	2.8
121.69510	0.2
125.02311	0.3
131.78578	0.2
151.00235	0.3
164.83582	0.2
178.99776	0.3
180.55194	0.3
229.14542	0.3
229.60265	0.3
241.04987	1.4
269.04544	2.6
270.05347	0.3
298.04776	2.3
299.05579	3.2
353.06921	0.4
379.08075	0.3
397.02420	0.5
445.11398	5.7
446.11722	0.7
523.75079	0.3
543.15436	0.5
543.24567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
57.03330	0.5
59.01246	62.9
60.01569	0.6
60.31836	0.5
66.36214	0.4
67.01754	1.0
69.03312	0.4
69.27016	4.2
71.01249	11.5
72.99179	1.1
73.02814	3.6
79.01777	0.5
83.01257	2.0
85.02826	4.8
85.99981	0.5
87.00763	1.2
89.02313	4.3
95.01282	1.6
96.95882	1.7
97.02831	0.6
98.95484	2.0
99.00766	1.3
101.02308	10.8
107.01281	2.2
109.99932	0.4
111.00774	1.4
113.02318	4.5
113.69764	0.5
119.03379	2.5
123.00758	8.9
124.01636	0.6
125.02320	12.0
125.09881	0.4
127.00250	0.5
131.03397	0.4
136.98703	0.9
137.02310	0.6
139.00259	1.7
140.01022	2.4
141.01801	1.1
151.00249	5.0
152.84624	0.4
159.02823	0.7
161.04475	1.7
168.00539	1.8
169.01328	11.9
170.01643	0.6
211.02406	0.6
211.13335	0.5
217.04863	0.6
227.12781	0.8
303.79474	0.4
313.05746	0.6
329.16049	1.1
334.18176	0.5
371.17072	1.1
389.18152	56.3
390.18491	5.8
481.17114	10.5
482.17401	1.9
485.33362	0.5
491.65094	0.4
497.19531	0.5
523.18176	4.6
541.19202	100.0
542.11395	0.9
542.19531	12.9
542.27728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60012	0.3
55.71901	0.3
57.41851	0.4
59.01250	5.2
61.98695	0.3
67.01762	0.7
69.03342	0.4
71.01251	3.6
71.56827	0.5
72.99180	1.0
73.02818	0.4
75.00740	0.5
79.01768	0.8
83.01261	1.1
85.02821	1.3
89.02336	1.8
95.01250	2.0
96.95885	1.2
97.02836	1.0
99.00738	0.4
101.02324	2.1
106.65709	0.3
107.01275	3.2
111.00763	2.3
113.02338	1.4
119.03436	0.5
123.00770	13.5
123.01668	0.8
124.01630	0.4
125.02330	16.5
126.02634	0.6
127.00259	0.8
133.16339	0.3
135.04379	0.5
136.98692	1.4
137.02319	0.6
139.00246	5.3
139.30345	0.4
140.01039	2.9
141.01828	2.1
149.02339	0.4
151.00258	9.1
153.01767	0.7
163.03807	0.5
168.00554	4.4
169.01329	23.6
170.01624	0.9
209.04407	0.4
211.02388	7.2
211.80141	0.4
212.02809	0.5
236.24742	0.3
271.04578	6.3
295.40359	0.4
304.36295	0.4
313.05698	1.9
316.34406	0.4
400.86411	0.4
435.44766	0.4
541.22894	100.0
542.23199	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	541.1356
Annotation	3,4',5-Trihydroxystilbene 4'-O-beta-D-(6''-O-galloyl)glucopyranoside
Peak:m/z	Relative Intensity
55.01744	0.9
56.87379	0.7
57.03312	1.7
59.01244	21.4
61.98715	0.8
65.00190	1.1
67.01752	1.1
67.46525	0.7
69.03331	1.5
69.16751	0.8
70.09348	1.5
70.09763	2.9
71.01252	5.7
72.99200	1.4
73.02811	1.5
79.01766	1.6
79.18846	0.8
83.01273	0.7
85.02819	2.1
87.00719	0.9
89.02309	1.1
95.01256	3.1
96.95878	3.0
97.02824	1.7
98.02316	1.4
98.20448	1.3
98.95448	2.2
99.00732	1.2
101.02306	2.5
107.01263	12.5
109.02821	1.2
111.00753	2.6
113.02333	2.1
123.00760	18.4
124.01064	1.3
125.02325	59.6
126.02688	3.9
127.02789	0.7
136.98665	1.8
137.02347	1.1
139.00214	4.7
140.01051	4.6
141.01785	2.8
143.04909	3.8
144.68877	0.7
145.02885	1.0
151.00281	12.8
151.03871	1.4
152.00586	2.1
153.01790	1.6
154.99660	0.9
157.06490	1.4
159.08069	0.8
166.53494	0.7
168.00533	5.3
169.01328	73.5
170.01700	7.9
171.01817	2.5
179.03410	1.2
181.04953	0.8
183.08084	1.4
185.06003	7.1
196.54123	0.8
207.02629	0.7
209.11758	2.5
211.02310	2.2
211.09721	1.3
225.14819	1.4
227.07062	36.1
228.07405	2.2
238.25856	0.8
244.76694	0.7
253.03430	1.6
260.94977	0.7
278.12262	0.7
313.05606	19.0
314.05975	2.3
315.06155	1.0
393.02264	1.4
540.21643	24.3
540.34241	1.6
541.13416	100.0
541.21863	41.2
542.13892	14.3
542.22266	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	541.1345
Annotation	3,4',5-Trihydroxystilbene 4'-O-beta-D-(6''-O-galloyl)glucopyranoside
Peak:m/z	Relative Intensity
59.01255	0.8
67.01734	0.6
69.03325	0.9
69.33303	4.1
69.33709	1.6
71.01235	1.9
79.01765	1.1
83.08256	0.6
85.02836	1.3
87.00724	0.5
95.01238	1.3
95.51846	0.5
101.02302	1.4
107.01263	7.6
111.00775	1.5
113.02338	1.0
118.09750	0.7
123.00774	10.0
124.01569	0.9
125.02332	41.0
126.02700	1.4
137.02292	1.3
138.39253	0.5
139.00266	2.5
140.01036	1.9
141.01889	0.6
142.30429	0.5
143.04897	3.1
151.00258	6.4
153.01869	0.7
159.08026	1.3
168.00526	2.1
169.01326	49.2
170.01732	1.5
179.03433	0.8
183.08083	1.9
185.06001	6.1
211.02487	1.2
227.07082	35.5
228.07440	2.7
241.03561	0.7
243.58305	0.6
313.05649	16.9
314.05774	1.4
541.13501	100.0
542.13849	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	539.2627
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
57.03322	1.7
59.01254	6.5
61.98691	2.6
64.61385	1.0
68.61310	1.1
71.01253	2.0
71.56994	1.0
71.57482	2.1
78.95304	2.0
78.95769	41.5
83.04926	1.3
84.61867	1.1
96.96819	3.5
99.08012	3.3
99.18678	1.2
100.71052	1.1
113.09603	2.8
129.09120	5.5
137.02289	1.2
139.11203	1.6
141.91588	1.3
152.99484	54.6
165.12617	1.4
169.12225	2.5
171.00539	3.7
171.10141	3.8
181.12247	4.5
183.13765	2.1
193.12259	3.2
195.13853	2.9
197.11713	8.9
199.13361	5.6
199.40488	1.1
211.13341	15.7
217.00195	6.0
223.45506	1.2
227.03142	4.8
245.04376	2.0
293.21243	13.0
311.22244	52.0
312.22556	5.4
374.99136	3.3
447.21591	1.9
499.63751	1.3
539.26227	100.0
540.26501	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	539.2625
Annotation	CHEBI:68152
Peak:m/z	Relative Intensity
54.11126	0.5
54.87528	0.6
57.03310	1.0
59.01248	4.5
61.98685	1.9
65.36357	0.5
71.01242	1.2
74.52791	0.6
78.95773	37.0
96.95902	0.7
96.96838	2.4
99.08067	3.2
101.02319	0.7
113.09598	2.5
125.02318	0.6
127.84743	0.6
129.09096	3.8
132.79108	0.6
139.11261	0.7
150.97919	0.7
151.11163	2.1
151.12367	0.6
151.14444	0.6
152.99483	47.5
153.12720	1.3
163.11118	0.7
169.12260	3.5
171.00548	4.1
171.10214	1.2
181.12210	3.8
183.13870	2.4
193.12256	1.2
197.11780	12.5
199.13319	5.9
211.13338	14.1
217.00323	1.4
227.03246	4.9
245.04340	1.7
249.22256	1.0
265.21829	0.7
275.20184	2.0
293.21246	13.3
308.22339	0.7
311.22250	45.9
312.22711	4.2
374.99213	1.7
447.21497	2.2
539.26233	100.0
540.26611	11.9
561.63287	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.213
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48666	0.6
55.01756	1.2
57.03317	0.9
57.48017	0.5
59.01247	12.5
70.63924	0.5
71.01251	10.8
71.49616	0.9
72.99181	0.8
73.02815	4.3
79.18977	0.5
83.01262	4.7
85.02818	6.4
85.99976	1.3
87.00747	1.5
89.02315	3.7
93.03348	2.6
95.01257	1.1
95.04907	0.5
97.02918	0.5
99.00742	1.8
101.02310	12.2
108.02018	0.9
111.00002	0.6
111.00797	1.6
113.02313	4.5
119.03383	1.1
121.02816	6.2
122.03625	11.9
123.00683	0.8
123.04443	1.1
124.01579	0.6
125.02260	1.0
127.00285	1.4
129.01801	0.8
132.02058	0.6
133.02847	5.9
134.03688	0.7
135.04388	0.9
136.01543	0.9
147.04443	0.6
149.02336	24.0
149.05948	1.3
149.34795	0.6
150.03122	93.6
151.03403	3.5
162.03142	0.6
163.11160	0.6
164.04703	6.3
165.05475	100.0
166.06110	6.3
167.07048	0.9
169.01338	1.0
177.05519	0.7
180.04182	7.6
181.08627	6.7
195.06549	33.8
196.06859	1.3
204.71269	0.5
209.24986	0.6
220.61559	0.6
267.72241	0.5
271.04492	0.6
283.09769	0.9
314.11633	4.6
315.12415	1.5
329.13913	9.1
330.14172	1.0
343.13892	12.2
343.17783	0.9
344.14163	1.0
359.13608	0.6
387.16623	1.1
491.19202	60.3
492.19427	7.5
539.22113	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	539.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.1
59.01247	11.6
70.34301	1.0
70.34642	3.7
71.01248	11.2
72.99168	2.2
73.02826	5.8
81.92575	0.8
83.01256	4.1
83.53526	0.9
84.06506	0.9
85.02824	8.6
85.06262	0.8
87.00771	1.1
89.02296	2.4
93.03313	1.4
95.01254	1.5
96.41849	0.9
99.00724	2.0
101.02320	10.4
113.02315	4.1
121.02835	3.3
122.03641	4.5
123.04383	1.1
125.02302	1.0
127.00197	1.5
132.02023	1.2
133.02853	5.3
134.03625	1.8
141.01874	0.9
147.04399	1.0
149.02328	25.2
149.03520	1.3
149.06075	1.4
150.03128	31.6
151.03477	1.4
161.04451	1.5
164.04716	5.3
165.05490	25.8
166.06187	4.1
167.06985	1.9
176.08736	1.0
178.96338	0.8
180.04152	1.5
181.08601	4.3
195.06528	10.5
214.63216	1.0
314.11581	4.0
315.12561	1.5
329.13895	9.1
330.14264	1.8
343.13971	11.3
393.96396	0.8
466.70258	1.0
491.19189	100.0
492.19553	14.4
539.14789	1.1
539.21558	15.0
539.34412	2.3
540.21588	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	539.2134
Annotation	Erizomycin
Peak:m/z	Relative Intensity
55.01751	0.4
57.03316	1.5
59.01248	2.3
61.98701	0.4
64.56516	0.2
65.00175	0.5
67.01759	1.2
69.03313	1.0
70.15132	1.1
71.01254	2.6
72.99192	0.4
73.02817	0.8
79.01753	1.0
79.65386	0.3
83.01247	0.8
85.02817	1.2
87.00735	0.6
88.98687	0.4
89.02306	0.7
90.16227	0.2
95.01264	2.1
97.02817	1.1
101.02303	1.4
107.01267	4.1
109.02852	0.4
109.99994	0.3
111.00773	1.9
113.02311	1.3
117.03332	0.3
119.03349	0.3
121.02849	0.3
122.03476	0.3
123.00767	12.7
123.04313	0.3
123.08034	0.5
124.01577	0.5
125.02334	18.8
126.02670	0.6
127.00215	0.8
136.98717	1.5
137.02365	0.4
137.08672	0.3
137.09599	1.6
139.00276	4.0
140.01044	2.8
141.01866	1.7
145.02841	0.9
151.00276	9.8
151.03886	0.6
151.11157	0.5
153.01828	0.8
153.12749	0.8
154.99719	0.3
163.03932	0.6
163.11148	0.6
165.05438	0.5
166.99756	0.4
167.01627	0.5
167.03409	0.4
168.00555	4.0
169.01329	29.9
170.01678	0.9
179.03328	0.6
181.05093	0.5
181.12241	0.8
184.08669	0.3
193.04855	0.3
195.13815	1.4
197.15358	1.3
207.13857	1.1
211.02411	2.6
211.13284	1.3
223.02402	0.3
225.14888	4.6
241.03340	0.3
253.03571	0.4
271.04562	3.3
285.04044	0.3
297.06219	0.8
301.07291	0.4
313.05646	6.0
343.29730	0.3
347.65994	0.3
356.02139	0.3
376.38977	0.3
377.16058	0.4
471.86627	0.4
539.21301	100.0
540.21649	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	539.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07212	0.3
57.03323	0.9
57.71838	0.3
58.00460	0.6
59.01251	11.0
61.98668	0.4
65.00188	0.5
67.01754	1.2
69.03335	0.9
69.52026	2.4
71.01251	6.2
72.99160	1.1
73.02814	0.9
75.00741	3.5
79.01765	1.2
79.95605	2.2
81.03294	0.4
83.01258	1.7
85.02817	2.4
85.03262	0.4
86.02354	0.7
87.00742	4.4
88.00278	1.4
89.02309	3.6
95.01240	2.6
96.95886	100.0
97.02822	1.1
98.56410	0.4
99.00744	0.7
101.02324	4.9
103.02679	0.3
107.01274	4.9
109.02832	1.2
109.99939	0.5
111.00755	2.6
113.02335	2.2
119.03400	0.9
123.00768	17.7
123.04375	0.8
124.01523	0.5
124.55571	0.4
125.02337	24.3
125.11372	0.4
126.02663	0.9
127.00278	0.9
136.98679	1.4
137.02335	1.1
139.00266	5.6
140.01073	3.9
141.01840	2.8
141.22078	0.4
149.02429	0.5
151.00272	12.3
151.03862	0.8
153.01825	1.1
161.02336	0.4
163.03944	0.8
165.01872	0.5
166.99794	0.6
168.00551	4.6
169.01334	29.9
170.01721	1.7
177.03899	0.5
179.03412	0.6
181.04990	0.8
187.04031	0.5
195.02905	0.4
207.10248	0.9
211.02415	3.0
212.02756	0.4
223.02359	0.4
225.14949	1.1
245.08281	0.4
253.03349	0.6
253.83466	0.4
257.40506	0.4
271.02225	0.4
271.04617	2.2
289.07202	2.0
291.47208	0.4
313.05554	2.2
329.05179	0.6
342.52469	0.4
387.16519	4.0
388.16815	0.6
441.08340	2.6
463.22348	0.4
477.10349	0.5
539.21375	96.4
540.21765	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	539.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65821	0.9
58.84635	0.9
59.01248	81.0
69.42571	8.5
71.01247	15.0
72.99196	1.1
79.01749	1.2
83.01241	1.4
83.03878	0.9
85.02826	3.5
89.02308	11.9
95.01255	2.7
101.02306	8.2
104.58441	0.9
107.01256	4.6
111.00745	2.4
113.02330	5.3
119.03367	4.0
123.00770	10.5
124.01516	1.2
125.02330	20.6
139.00241	2.8
140.01038	1.8
141.01826	2.3
151.00243	4.6
155.60553	1.0
163.11186	4.9
168.00525	3.9
169.01320	16.4
204.84944	1.2
207.10182	10.2
211.02409	8.6
271.04608	5.1
313.05301	1.1
387.16568	44.0
388.16916	4.5
401.52237	1.0
479.15442	6.4
521.16528	2.6
539.17639	100.0
540.17871	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	539.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00444	0.7
59.01250	52.9
70.70036	0.6
70.75092	1.4
71.00883	0.8
71.01250	9.8
72.99166	1.0
83.01232	0.8
85.02810	1.7
89.02321	9.8
95.01265	1.5
96.01331	0.5
96.42594	0.5
97.04217	0.5
101.02319	7.2
102.88310	0.5
107.01255	3.3
110.97295	0.5
111.00720	0.8
113.02312	4.6
119.03410	4.4
123.00759	4.6
124.01544	0.7
125.02334	11.5
128.26643	0.5
139.00250	1.5
140.01042	1.3
141.01842	0.5
147.08054	1.2
149.02411	0.7
150.03136	1.1
151.00273	1.8
163.11200	31.3
164.11533	2.0
165.05473	2.4
167.03325	0.6
168.00531	2.5
169.01337	12.7
195.06532	1.9
211.02434	7.6
212.02620	0.9
271.04565	6.6
272.04855	0.8
313.05270	0.7
313.41483	0.6
322.37689	0.6
329.13284	0.5
387.16599	57.7
388.16968	5.1
479.15649	2.3
495.18405	0.7
521.16577	4.2
522.17023	0.9
539.17670	100.0
540.18024	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	539.2132
Annotation	Erizomycin
Peak:m/z	Relative Intensity
55.01740	0.2
55.41506	0.1
57.03322	2.0
59.00948	0.2
59.01249	3.0
61.38261	0.1
61.98698	0.2
65.00189	0.4
65.85645	0.1
67.01759	0.8
68.99685	0.2
69.03315	0.9
71.01250	3.2
71.04879	0.5
71.41974	0.1
71.58605	0.2
72.99187	0.8
73.02819	1.2
75.00735	0.4
79.01758	1.0
81.03321	0.2
83.01250	0.9
83.04888	0.1
85.02815	1.4
87.00745	0.8
89.02313	1.2
95.01269	2.0
95.04922	0.2
96.95890	1.0
96.99181	0.3
97.02823	0.9
99.00758	0.6
101.02318	2.3
103.03873	0.4
107.01268	4.9
108.01595	0.2
109.02843	0.4
109.06502	0.3
110.00004	0.4
111.00764	2.2
113.02330	1.5
119.03371	0.4
119.04858	0.2
121.06445	0.2
121.10131	0.2
123.00766	15.8
123.08036	0.5
124.01676	1.0
125.02332	22.4
125.09630	0.1
126.02648	0.6
127.00256	0.9
131.03394	0.2
136.98700	1.4
137.02342	0.4
137.09615	2.0
138.09946	0.2
139.00262	4.3
139.03896	0.1
140.01062	3.6
141.01839	2.2
143.03381	0.4
145.04913	0.1
149.02386	0.2
151.00270	10.4
151.03885	0.3
151.07500	0.3
151.11215	0.9
152.00626	0.3
153.01849	0.9
153.09149	0.1
153.12781	0.7
154.99750	0.3
161.02321	0.2
161.04448	0.2
163.03886	0.4
163.06004	1.3
163.11195	0.9
165.01900	0.2
165.05414	0.2
166.02660	0.1
166.99757	0.2
167.03343	0.2
168.00552	4.4
169.01329	35.0
170.01683	1.4
175.03770	0.1
177.03929	0.2
179.03427	0.5
179.10667	0.2
179.14342	0.3
181.04938	0.3
181.12228	1.0
184.92487	0.2
195.02867	0.2
195.12225	0.2
195.13853	1.6
195.90837	0.1
197.15385	1.5
205.07013	0.3
207.13847	0.9
207.22163	0.1
208.14105	0.1
209.04466	0.3
211.02415	1.9
212.02518	0.1
223.02382	0.4
224.14107	0.4
225.14905	4.0
226.15244	0.2
241.03427	0.6
253.03329	0.7
265.09201	0.2
271.04572	1.9
272.04871	0.2
297.06134	1.2
313.05637	6.5
314.05991	0.5
331.06744	0.2
377.28976	0.7
451.11435	0.2
467.15765	0.2
479.24487	0.4
500.24274	0.1
539.21277	100.0
539.34558	2.7
540.21637	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	539.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	2.3
59.01250	7.8
61.98706	0.6
67.01759	0.7
69.03331	1.6
69.29021	1.1
69.29437	3.4
71.01258	3.3
72.99184	1.0
73.02821	1.7
78.95783	2.1
81.03340	1.7
83.01241	2.3
85.02820	1.7
87.00787	0.8
89.02323	2.1
93.03332	1.0
95.01263	1.4
95.04914	1.9
96.95885	0.8
97.02826	3.9
101.02310	3.9
103.03907	1.3
107.01262	2.6
109.02833	12.9
110.03180	0.5
111.00762	0.8
111.08040	0.4
114.10509	0.4
117.03351	0.4
119.03385	0.8
119.04894	0.6
121.02836	1.6
123.00773	4.0
123.04404	7.1
124.01562	1.0
125.02333	75.6
126.02662	2.3
131.03439	0.5
133.02794	0.5
135.04419	1.4
135.08040	0.9
137.02342	7.7
137.05989	0.6
138.03169	0.5
139.00249	1.2
139.03909	2.0
140.01076	0.9
145.02855	4.9
145.05034	0.6
146.03580	0.9
149.02388	3.6
150.03079	1.1
151.00278	1.3
151.03911	5.5
152.99481	3.2
156.89066	0.5
159.04358	2.7
160.05153	0.5
161.02321	0.8
161.04584	0.9
161.05984	4.2
162.03172	1.4
163.03903	1.4
163.06052	4.8
164.01041	1.9
165.01837	3.4
165.05476	0.4
166.99754	2.6
167.03445	1.3
168.00520	1.8
169.01329	100.0
170.01688	3.0
174.03119	0.5
175.03922	1.7
175.07527	1.2
177.05421	0.5
179.03391	4.5
179.06989	3.4
183.04611	0.5
185.06082	1.1
187.03903	3.4
188.04666	2.0
189.09015	0.5
191.07094	2.4
193.01349	4.7
194.01588	0.7
199.07526	0.6
202.06345	1.0
203.07065	8.6
205.01389	0.7
205.05014	6.5
205.06966	0.8
211.13338	8.3
219.06590	1.0
221.08205	1.6
223.09744	1.4
223.13477	1.2
225.05536	1.5
227.07095	2.2
229.04956	0.9
231.02831	0.8
235.09712	2.9
241.01089	0.6
245.04401	0.7
245.08174	10.7
246.08591	0.9
247.06165	0.9
253.05066	0.5
253.09247	1.2
259.06064	0.8
263.09308	0.6
271.06244	4.5
275.05618	0.6
285.04031	0.5
289.07147	38.6
290.07535	2.4
299.12872	0.9
303.05103	1.9
314.12424	0.5
315.04922	0.6
325.10754	1.8
331.04449	1.0
343.11896	6.1
344.12250	0.8
349.07550	0.5
369.13431	6.5
387.14481	52.1
388.14801	4.5
441.08200	5.3
447.22571	0.6
463.23459	0.5
495.12537	0.7
508.21854	0.5
539.15411	4.6
539.21490	4.3
540.15967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02923	0.5
57.03310	1.9
59.01248	5.2
61.98701	43.3
62.98397	0.7
69.03312	2.1
69.28490	6.1
69.28896	1.4
71.01238	2.1
72.99179	1.5
75.00733	2.3
79.01739	0.7
81.03302	1.5
83.01263	2.6
83.47803	0.6
85.02801	1.3
88.98669	0.8
89.02318	1.8
91.00236	1.3
93.03293	1.2
95.01295	1.5
95.04917	1.9
97.02829	4.8
101.02319	2.5
102.02602	0.8
103.03856	0.6
107.01254	2.3
109.02827	15.6
117.76806	0.7
121.02849	2.0
123.00769	2.8
123.04405	6.3
124.01553	1.1
125.02332	72.6
126.02657	1.7
135.04428	1.9
135.08012	0.7
137.02339	8.4
139.03883	1.6
140.01028	1.0
145.02837	4.7
145.70619	0.6
146.03616	1.0
147.04469	0.6
149.02354	3.1
150.03072	0.8
151.03896	6.2
159.04453	2.1
161.02373	1.0
161.05966	3.9
162.03143	0.8
163.03885	2.1
163.06026	2.6
163.07413	0.6
164.01030	2.0
165.01855	2.9
166.99779	2.4
167.03404	1.2
167.10664	1.7
168.00479	1.4
168.11038	1.1
169.01329	100.0
170.01613	4.0
173.05983	0.9
175.03944	1.5
175.07498	1.2
177.05591	1.0
179.03398	4.4
179.06995	3.5
185.06003	2.2
187.03996	3.4
188.04680	2.6
191.07086	2.5
193.01389	5.0
203.07083	9.0
205.01318	1.2
205.05032	7.3
219.06554	1.2
221.08147	1.2
223.09656	2.1
227.07118	1.5
231.02946	1.2
235.09666	3.2
245.08163	12.4
246.08426	0.8
247.06096	1.4
253.05098	0.7
259.06158	1.1
271.06113	6.5
287.05609	0.7
289.07156	43.0
290.07532	3.8
299.12869	1.2
303.05051	1.9
325.10959	1.5
331.04428	1.2
343.11783	5.0
369.13324	5.5
387.14471	51.0
388.14920	4.4
429.11221	1.0
441.08289	4.5
479.24750	0.8
539.15369	5.9
540.16199	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91249	0.6
57.03328	0.6
59.01252	6.0
60.17156	0.6
61.27740	0.6
61.98705	0.7
62.22149	0.6
64.57598	0.5
65.71550	0.7
69.03304	0.8
71.01244	6.3
71.58545	0.8
72.99174	3.4
78.95763	0.7
79.01730	0.6
83.01249	0.9
85.02811	1.7
87.00751	1.0
88.98686	0.6
89.02319	1.7
91.00249	1.4
93.03336	0.7
95.01265	1.1
96.95895	1.1
97.02834	0.8
101.02325	2.8
107.01268	7.0
109.02837	1.5
111.00746	2.4
111.69010	0.6
113.02315	1.6
119.04896	0.7
120.05256	0.7
121.02822	1.6
123.00771	7.6
123.04390	2.2
124.01565	1.0
125.02328	42.5
126.02692	1.2
136.98708	1.2
137.02325	1.2
139.00276	3.8
140.01053	2.1
141.01802	1.0
145.02820	1.7
149.02310	1.6
149.05989	0.7
151.00294	6.8
151.03900	0.8
152.99478	1.3
155.98227	0.7
163.04007	0.7
166.99757	2.0
167.03360	0.7
168.00566	2.8
169.01332	55.1
170.01779	1.4
180.05721	4.6
181.06488	11.7
183.04420	7.1
183.13792	0.7
211.02368	2.4
211.13341	12.2
224.04636	1.0
225.05516	100.0
226.05827	8.2
239.07085	0.8
241.03516	1.2
241.08643	0.6
253.09264	1.6
267.06677	0.9
273.07684	1.9
285.07739	1.7
289.07022	0.8
297.06030	0.7
313.05630	45.9
314.06012	3.5
376.99066	0.7
377.06628	3.7
447.22531	1.0
474.51871	0.7
539.11920	77.4
539.34338	2.2
540.12262	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	538.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29469	0.3
55.64891	0.4
57.03312	0.6
59.01249	7.2
60.01572	0.8
61.01674	0.8
61.98700	100.0
69.03337	0.4
70.92194	0.8
71.01258	2.2
72.01587	0.6
72.99178	1.0
73.02832	1.3
74.03156	0.4
74.42634	0.3
75.00735	3.0
80.15995	0.3
85.02836	0.7
88.98698	0.6
89.02319	2.7
90.02712	0.4
91.02774	0.4
93.03342	0.3
95.01254	0.4
97.02837	1.4
101.02343	2.1
102.02663	0.8
103.03871	1.7
104.04224	0.4
107.01247	0.5
109.02838	2.3
111.04363	0.3
119.03383	1.0
119.04969	0.4
121.02879	0.5
123.00745	0.7
123.04423	1.2
124.01553	0.4
125.02335	13.1
126.02692	0.9
135.04390	0.6
137.02318	1.7
139.03979	0.4
143.03413	0.3
145.02885	0.6
149.02353	0.8
151.03917	0.6
151.93636	0.4
159.04427	0.4
161.05980	0.8
163.06039	2.7
164.06392	1.0
165.01918	0.7
165.06511	1.1
166.99774	0.8
167.10683	5.8
168.00517	0.4
168.11029	3.8
169.01326	15.0
169.11237	2.0
170.11563	0.9
175.03966	0.4
179.03433	0.4
179.07019	0.8
187.03990	0.4
191.07076	0.6
193.01405	0.7
201.07355	0.3
203.07095	1.1
205.05081	0.9
235.09773	0.6
245.08110	1.9
271.06210	0.6
289.07178	6.2
308.10611	0.5
309.10916	1.0
310.11182	0.6
331.04425	0.4
343.11807	1.0
369.13510	1.2
387.14453	8.1
387.19153	0.5
441.08505	0.7
447.52280	0.4
539.15613	1.0
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
59.01250	100.0
73.68251	1.2
77.15508	1.1
92.43653	1.3
96.15815	1.2
104.65331	1.6
123.63990	1.3
133.02852	2.6
144.87596	1.3
171.10173	9.8
175.03929	4.1
200.11588	1.5
211.13222	3.5
233.15358	3.3
249.14963	3.1
290.14932	1.4
459.27533	11.8
463.27066	2.3
477.28531	8.4
478.28644	1.5
537.30432	5.1
538.30713	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	537.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77095	0.6
57.03310	0.8
58.00451	1.4
59.01246	32.5
64.60574	0.7
69.39247	3.5
69.39671	1.3
71.01248	27.3
72.99176	2.9
73.02831	2.4
75.00740	1.8
83.01282	1.0
85.02827	4.9
87.00758	2.1
89.02312	37.6
93.03331	3.5
95.01283	1.9
95.91802	0.5
96.95870	3.6
97.43482	0.6
98.20513	0.9
99.00767	0.7
101.02320	12.9
108.01989	0.6
109.02846	2.0
113.02325	13.1
115.03948	0.6
119.03381	15.2
121.02832	5.6
122.03618	11.4
123.00771	0.9
123.04422	0.8
125.02335	1.4
131.03372	1.7
133.02858	2.1
134.03604	0.9
135.04419	1.0
136.01540	2.2
137.02347	2.2
142.89014	0.6
143.02353	0.6
143.03400	2.2
149.02338	27.2
149.04372	1.3
150.03122	87.2
151.03574	3.7
153.01807	0.7
161.02321	0.7
161.04451	5.3
163.03941	1.4
164.04680	6.5
165.05475	100.0
166.05806	5.5
169.01317	0.9
177.01822	0.7
177.05501	1.3
179.03778	0.7
179.05519	10.6
179.07080	2.4
180.04213	7.6
187.03911	1.4
193.05052	1.2
195.06549	61.5
196.06898	3.1
202.06299	1.0
211.02490	0.6
280.07745	0.6
312.09995	3.3
324.09937	2.5
327.12360	19.3
328.12656	1.6
339.12302	12.7
340.12582	1.0
375.14722	1.3
377.62683	0.7
489.17560	1.8
537.13025	0.8
537.19916	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	537.1978
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
55.01753	0.5
57.03324	3.9
59.00983	0.5
59.01252	4.6
65.00190	0.3
67.01762	1.7
68.99686	0.8
69.03329	0.9
70.28565	0.3
70.33078	0.3
71.01253	5.6
71.07772	0.5
72.99176	1.9
73.02816	0.9
75.00762	0.5
79.01752	1.7
81.03307	0.5
83.00808	0.3
83.01244	1.3
85.02833	2.3
87.00755	1.1
87.19161	0.3
89.02321	2.0
95.01264	3.3
95.04905	0.5
96.99187	0.4
97.02829	1.2
97.06493	0.8
99.00763	0.6
101.02324	3.5
107.01270	8.2
107.04896	0.3
108.02068	0.6
109.02834	8.4
109.06465	1.5
109.99959	0.8
111.00769	4.2
113.02323	2.8
119.03374	0.8
121.02846	0.5
121.06490	1.2
123.00768	22.9
123.04374	2.0
123.08056	0.9
123.09365	0.3
124.01640	2.0
125.02336	36.1
126.02656	1.0
127.00270	1.5
133.06429	0.3
135.00793	0.3
135.04408	0.9
135.08022	0.9
136.98692	2.8
137.02336	0.9
137.05983	0.4
138.03050	0.4
139.00262	7.0
139.03874	0.7
140.01048	6.7
141.01831	2.9
144.05681	0.6
147.08035	1.6
149.02333	0.3
149.09636	0.9
151.00264	13.4
151.03871	0.8
151.07529	0.7
151.11211	0.8
152.00940	1.1
153.01836	14.2
153.09081	0.5
154.02164	0.7
154.99702	0.5
159.08095	0.4
161.02356	0.4
161.04475	0.5
161.06012	0.3
161.09608	1.2
163.03899	0.7
163.11223	0.7
164.08252	0.5
165.01785	0.5
165.05424	0.5
166.99762	0.7
167.03416	0.5
168.00555	9.8
169.01332	56.8
170.01675	2.6
171.08052	0.5
175.11237	0.5
177.03947	0.6
177.09125	2.0
177.12869	0.4
179.03436	1.0
179.10690	6.9
180.11034	0.3
181.01350	0.4
181.04916	0.5
187.11205	2.6
188.08299	0.4
189.09152	0.9
191.03464	0.3
193.01375	0.5
195.02888	3.2
199.04283	0.3
203.10727	1.0
205.12280	5.0
206.12585	0.4
211.00401	0.6
211.02414	12.9
212.02721	1.0
221.11700	0.8
223.02426	0.6
223.13416	0.4
241.03453	1.4
253.03436	0.8
255.05055	1.8
271.04587	11.0
272.04916	1.0
297.06140	6.5
298.06558	0.5
313.05634	11.4
314.06131	0.8
331.06747	0.4
375.27472	0.6
376.23981	0.3
442.58276	0.3
477.23611	0.7
493.17099	16.9
494.17371	2.0
519.18689	41.2
520.18939	5.7
535.74011	0.3
537.19757	100.0
537.33002	2.8
538.20093	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	537.1975
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
50.65622	0.5
52.79704	0.5
55.01757	0.8
57.03317	1.1
59.01245	6.3
60.54841	0.5
60.99160	1.7
67.01768	0.9
69.03322	0.7
71.01256	6.0
71.58759	0.7
72.99187	1.6
73.02823	3.0
75.00719	0.6
79.01773	1.2
83.01263	1.7
85.02824	5.1
87.00748	0.7
88.98681	10.9
89.02306	1.8
95.01264	2.8
97.02837	0.9
99.00761	1.4
101.02334	5.4
103.03828	0.8
107.01278	5.9
107.65382	0.6
109.02841	1.0
111.00745	2.7
113.02318	2.3
119.03381	0.9
121.06478	5.6
123.00779	17.7
124.01595	1.1
124.51234	0.6
125.02337	24.4
126.02707	0.7
136.98723	0.9
137.02310	0.9
137.09628	17.7
138.10016	0.6
139.00278	4.6
140.01062	3.2
141.01822	2.3
149.02295	0.7
151.00269	13.6
153.01765	0.7
161.04424	1.7
166.99759	0.9
168.00557	5.4
169.01332	33.2
170.01634	1.1
172.67609	0.6
178.99750	0.9
179.03316	1.0
181.04990	0.7
203.03410	0.6
205.12352	1.0
211.02422	3.6
241.03470	0.8
243.02998	1.1
255.02930	1.2
271.02200	1.6
271.04956	3.1
284.03235	0.7
297.06152	1.6
299.01816	0.7
300.02847	4.4
301.03372	3.5
313.01965	0.8
313.05478	4.3
315.01352	1.5
331.17673	1.1
342.10858	1.0
344.71399	0.6
357.13568	1.5
375.27475	1.4
382.74582	0.6
387.09369	5.2
399.09293	13.7
400.09659	2.1
417.08459	0.6
447.09222	5.8
448.09705	0.9
477.23505	3.9
519.18634	6.2
528.38483	0.8
537.19757	100.0
537.31683	9.8
538.11731	0.8
538.20068	16.5
538.33179	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.9
57.38188	0.4
58.00471	0.7
59.01249	4.6
61.98697	1.3
65.03813	0.5
65.51373	0.4
67.14877	0.4
69.03339	2.5
71.01252	3.9
71.58603	0.7
72.99178	1.3
78.95744	0.5
79.01772	1.0
81.03320	1.2
83.01251	2.6
85.02798	1.1
87.00780	1.2
88.98691	2.0
89.02319	4.3
90.98401	0.5
93.03323	0.9
95.01264	2.3
96.95895	0.4
97.02842	2.6
99.00759	1.1
101.02341	2.2
103.00310	0.4
107.01257	1.5
107.04932	0.5
109.02823	3.3
111.00753	0.9
113.02323	1.5
119.03400	0.8
119.77142	0.5
121.02842	1.2
123.00766	5.1
123.04425	1.5
124.01563	3.4
125.02335	68.0
126.02666	2.2
131.03406	0.7
135.04442	0.8
137.02339	11.8
138.02916	0.3
139.00273	1.1
139.03970	0.5
140.00983	0.6
141.01773	0.6
145.02867	2.2
146.03619	1.1
149.02357	1.3
149.04439	2.2
149.05798	0.5
150.03137	1.7
151.00290	1.7
151.03879	2.4
153.01881	0.6
153.12759	2.0
159.04425	0.9
161.02295	1.0
161.04594	0.5
161.06036	1.0
163.03946	1.1
164.01067	10.8
164.04739	0.9
165.01860	6.2
166.99779	3.4
167.03380	1.4
167.44852	0.5
168.00560	4.0
169.01338	100.0
170.01653	3.6
172.05281	0.5
173.05980	1.1
174.03172	1.4
175.03986	0.5
175.07570	2.6
176.01056	0.8
176.04851	0.5
177.01833	0.9
177.05486	0.6
179.03444	1.2
179.10645	0.9
183.04443	1.0
185.05968	0.5
187.03969	0.6
190.02708	1.3
192.00565	0.6
193.01341	3.1
193.08633	1.6
197.11806	1.1
199.03812	0.5
200.04749	1.0
201.09157	0.5
203.07011	3.6
205.01341	0.5
209.11876	0.6
211.02373	3.6
211.03868	0.4
211.07666	0.5
212.04703	0.5
213.09148	0.4
219.06548	0.5
221.08134	4.1
223.09653	0.5
226.06273	0.6
229.08656	1.9
241.08704	2.3
245.08188	1.3
247.06100	2.5
247.09801	0.6
251.07419	0.6
253.04994	1.0
265.07156	8.2
269.04688	0.6
271.04166	3.7
281.11880	0.7
287.05539	0.5
288.06302	0.9
289.07187	7.7
293.08737	1.4
294.08878	0.5
299.12903	0.7
300.02768	0.6
301.03513	1.6
313.05750	5.6
323.12982	1.3
331.04294	2.7
349.10721	0.6
367.11838	6.7
375.27557	1.1
385.12839	6.6
386.13217	0.7
399.10590	0.6
440.07275	0.9
447.09171	0.7
493.17169	2.3
508.02826	0.5
510.32184	0.5
519.20276	0.5
537.15558	3.8
537.23645	0.9
537.32794	4.4
538.15948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.5
56.42536	0.4
59.01252	3.1
61.98691	0.7
63.51082	0.4
67.01744	3.0
68.99692	2.1
69.03307	1.1
69.71976	2.6
71.01241	3.3
72.99194	0.8
76.85339	0.4
78.95783	0.7
79.01750	2.9
82.03703	0.4
83.01253	0.9
83.49306	0.5
87.00752	0.7
88.98682	0.9
90.08677	0.4
93.03332	30.3
94.03661	1.0
95.01249	3.6
97.02814	2.0
98.20506	0.8
103.00267	1.4
106.04108	1.3
107.04899	2.5
112.98687	1.6
122.03543	0.4
123.00764	51.4
124.01125	1.4
125.02339	4.1
131.04971	0.5
134.03656	2.4
134.66380	0.4
135.04411	13.1
137.02336	2.4
139.00256	8.4
141.01833	8.9
141.02911	0.6
147.04414	3.4
149.05980	9.8
150.03088	1.3
151.00266	65.7
152.00606	1.8
152.99544	1.3
165.01843	2.6
165.05476	24.3
166.05859	1.1
166.99751	1.4
168.00558	1.9
169.01344	4.6
175.03889	5.3
179.03442	0.8
193.04941	0.7
211.13329	1.0
220.80505	0.5
258.05405	0.5
274.94702	0.5
288.06372	1.4
291.19754	0.7
299.05551	3.3
301.03677	0.7
301.07159	14.5
302.07529	1.0
317.06622	100.0
318.06967	6.5
327.05124	0.8
331.04596	1.0
371.03983	3.2
385.12912	2.0
389.05142	6.3
440.07315	1.1
537.13971	0.7
537.22845	0.5
537.29974	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99176	14.3
69.45222	4.7
69.45646	3.2
83.01269	1.5
87.32911	0.9
88.98675	100.0
95.01208	1.0
98.20509	2.1
99.00739	1.1
107.01292	3.2
107.13798	1.0
109.02879	1.6
111.00753	1.3
121.02858	1.3
123.00747	2.3
125.02352	2.9
139.00241	2.1
140.01143	1.1
148.01546	1.6
151.00241	6.7
153.09137	1.3
163.00301	3.2
169.01344	4.5
178.99797	3.1
190.99768	1.0
243.02959	2.5
255.03006	10.4
271.02457	17.5
272.02838	3.3
300.02728	32.9
301.03491	25.3
302.03635	1.6
371.06863	1.0
423.82800	0.9
447.09268	62.6
448.09705	8.0
465.20084	1.2
501.30441	1.1
537.12134	1.6
537.19653	12.8
537.33081	1.0
538.12262	1.1
538.20062	1.4
548.16028	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	1.1
57.03313	1.4
57.66879	0.7
58.00475	5.8
59.01249	76.3
61.98706	1.6
71.01251	24.6
72.99184	8.0
73.02822	9.9
82.95306	2.4
83.01286	2.0
83.04870	0.8
83.52904	0.8
85.02823	18.3
87.00758	2.6
89.02315	24.4
95.01244	0.8
96.95866	1.6
97.02830	1.1
98.19804	1.4
99.00778	1.8
101.02327	22.2
101.83607	0.7
103.00286	0.8
103.03888	20.5
108.02052	2.0
109.02847	3.6
111.00757	1.2
113.02303	1.5
119.03384	10.2
119.04874	1.0
121.02853	4.6
122.03654	1.5
123.00809	1.6
123.04421	1.2
125.02335	4.1
127.03901	2.1
135.04407	2.0
137.02289	4.2
138.03116	2.3
139.00313	1.4
145.02892	1.4
145.04955	2.7
147.04414	1.4
149.02232	0.8
149.06041	0.9
150.03185	1.3
151.00262	1.6
151.03932	1.2
152.04620	1.2
153.05441	2.3
159.04391	4.8
160.05133	0.8
161.02373	1.1
163.03903	1.1
163.06010	8.1
166.02550	1.0
167.03423	1.1
168.00523	1.6
169.01349	4.3
172.05222	1.5
173.06020	6.2
174.03043	1.4
174.06750	1.7
175.03911	8.4
175.13863	0.8
177.05492	5.0
187.03947	9.7
187.07549	1.0
188.04590	1.0
189.05458	2.0
189.09129	1.3
190.06259	5.8
191.07095	2.3
193.05026	0.8
202.06300	3.7
203.07018	2.0
204.04265	1.9
205.04999	11.0
205.08667	2.4
211.02405	1.6
217.08670	2.7
219.06587	3.2
220.07323	9.6
235.09721	9.6
267.10562	0.9
268.07458	1.2
283.09790	1.4
295.06253	1.3
296.06854	1.9
301.03592	1.1
311.09290	12.0
312.09421	1.3
323.09448	1.5
326.11548	8.9
327.12216	1.2
330.53021	0.9
341.10226	2.2
341.13971	8.1
356.12640	2.4
358.14252	2.1
359.14981	2.8
361.06357	1.1
371.14975	100.0
372.15244	12.5
373.16391	4.3
501.23743	0.9
535.21637	17.9
535.30798	3.9
536.22278	3.6
536.30951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	1.0
59.01240	5.9
60.99163	4.5
61.98686	2.4
68.99689	3.2
71.01244	2.8
71.58294	1.5
72.99181	39.8
73.02827	1.4
75.00746	3.0
77.21078	1.3
87.00739	2.7
88.98675	40.4
89.02312	1.2
93.03336	18.4
95.01272	5.2
96.95860	2.6
98.95440	1.2
99.00742	3.4
101.02283	2.2
103.00261	1.7
107.04890	7.4
108.01988	1.1
111.00761	1.4
117.03348	10.3
119.03442	1.2
119.04903	9.6
121.02821	3.0
123.00746	10.0
123.04362	2.4
124.01154	1.0
125.02309	2.7
131.04959	1.2
133.02832	4.7
135.04433	6.4
135.08138	1.0
137.02231	1.3
137.36263	1.1
143.04878	2.1
145.02849	43.0
146.03214	2.1
147.04372	3.2
147.08026	1.3
149.02327	1.4
149.05966	5.6
150.99121	2.0
151.00267	27.2
152.00743	1.2
153.01862	1.1
155.03397	7.3
156.00757	1.0
163.03917	8.3
163.07629	2.2
165.01825	1.1
165.05490	25.7
165.09125	1.5
166.05995	1.1
169.01381	1.2
175.03868	2.2
175.07533	3.2
177.01897	1.1
179.03421	9.3
181.04944	2.8
181.08748	1.1
183.08162	1.3
185.05974	3.9
191.07014	2.5
192.04204	1.9
193.04985	11.2
203.07043	1.7
207.06564	3.3
208.03813	1.2
211.06052	5.7
219.06500	2.4
221.07997	1.2
227.07089	20.2
236.03290	1.5
247.06087	1.6
251.09302	2.2
255.05055	22.9
258.05386	2.2
264.06229	3.6
265.07022	2.2
279.08743	23.1
280.09323	3.5
307.08191	17.9
308.08685	1.6
388.45407	1.0
445.14960	2.7
459.13052	2.7
503.11929	5.8
535.14661	100.0
536.15070	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	535.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.4
60.99176	14.2
69.54120	4.6
71.01254	1.4
72.99165	4.2
83.40451	0.6
88.98678	100.0
89.02301	1.1
89.99005	0.8
93.03313	0.8
98.20510	1.2
99.00769	0.6
101.65042	0.8
102.65693	0.7
103.00262	0.8
107.07451	0.9
109.02848	0.6
113.02311	0.8
114.20406	0.7
119.04916	1.0
121.02813	0.7
123.00756	2.5
125.02351	2.4
133.02696	0.8
139.00261	1.3
140.01010	0.8
145.02850	1.8
151.00247	1.8
163.03859	1.0
167.03317	0.7
168.00459	0.8
169.01306	2.1
192.04179	1.1
209.11803	1.6
213.05569	0.7
234.94640	0.8
258.05399	1.6
269.04507	1.1
299.05496	1.2
313.14355	0.6
316.06046	0.8
384.18112	0.8
388.95273	2.6
445.11520	0.8
458.17850	0.9
503.11978	6.8
534.20917	1.4
535.14667	1.5
535.21838	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	535.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.4
60.99176	14.2
69.54120	4.6
71.01254	1.4
72.99165	4.2
83.40451	0.6
88.98678	100.0
89.02301	1.1
89.99005	0.8
93.03313	0.8
98.20510	1.2
99.00769	0.6
101.65042	0.8
102.65693	0.7
103.00262	0.8
107.07451	0.9
109.02848	0.6
113.02311	0.8
114.20406	0.7
119.04916	1.0
121.02813	0.7
123.00756	2.5
125.02351	2.4
133.02696	0.8
139.00261	1.3
140.01010	0.8
145.02850	1.8
151.00247	1.8
163.03859	1.0
167.03317	0.7
168.00459	0.8
169.01306	2.1
192.04179	1.1
209.11803	1.6
213.05569	0.7
234.94640	0.8
258.05399	1.6
269.04507	1.1
299.05496	1.2
313.14355	0.6
316.06046	0.8
384.18112	0.8
388.95273	2.6
445.11520	0.8
458.17850	0.9
503.11978	6.8
534.20917	1.4
535.14667	1.5
535.21838	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	534.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35029	2.2
52.61788	2.4
53.16651	2.5
59.01242	5.2
66.56985	2.6
66.79575	2.5
69.03327	3.1
69.15967	2.6
71.01241	6.8
71.06264	5.5
72.99172	17.9
74.43973	2.8
76.87652	2.3
93.03323	2.9
95.01260	6.2
97.02785	3.2
101.02314	3.0
107.01255	13.4
107.04872	3.2
109.02829	3.7
111.00739	6.5
119.04933	12.9
119.10681	2.6
121.02818	10.7
123.00748	21.2
125.02329	70.2
133.25804	3.2
135.04408	14.4
137.02286	8.1
139.00220	6.3
140.01010	6.1
147.04401	7.8
149.05959	4.3
151.00252	10.9
158.06039	24.4
163.03882	9.4
164.03366	5.4
166.99742	4.0
168.00557	8.2
169.01321	93.5
170.01622	3.3
172.88734	2.7
176.07037	4.3
178.90921	2.9
180.02977	3.6
187.93750	2.9
190.01352	3.9
202.04980	12.6
208.02406	12.1
211.02316	13.8
220.06154	16.9
271.04581	20.1
313.05637	41.1
314.06042	3.9
382.11487	21.2
435.09177	14.5
438.90009	3.8
449.10883	13.1
472.12857	15.7
490.13275	10.7
516.11560	18.2
517.11273	5.6
534.12415	100.0
535.12976	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	533.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.9
59.01254	4.1
61.98700	0.6
69.03322	0.5
71.01261	3.7
71.57500	0.4
71.58749	0.5
72.99179	0.8
73.02827	0.9
75.60603	0.4
79.99567	0.5
83.01275	0.6
85.02816	1.8
87.00733	2.4
88.66011	0.4
89.02310	1.6
90.02830	0.4
93.03346	0.4
96.59235	0.5
96.95905	0.6
99.00749	0.6
101.02305	2.6
109.06462	0.5
113.02325	1.1
117.03349	27.3
118.03671	1.1
119.04913	12.8
121.02850	0.7
121.10140	0.4
123.00728	0.5
123.08058	0.6
125.02343	2.7
135.04462	0.9
137.02333	0.7
137.09598	1.8
145.02853	100.0
146.03183	4.5
151.00363	0.6
151.11171	1.0
161.04547	0.5
163.03923	20.2
163.11241	0.7
164.04283	1.1
165.01903	0.4
165.05576	0.5
165.09117	1.1
169.01334	1.7
181.12247	0.7
195.13821	1.6
197.15395	1.0
205.05055	0.7
207.13899	1.1
225.14897	5.7
271.02301	0.7
300.02579	1.0
307.08215	13.3
308.08435	0.7
311.09180	0.6
315.05051	0.7
326.00610	0.5
401.25070	0.6
533.23889	47.8
534.24359	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	533.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30166	0.5
55.01772	0.7
57.03329	1.4
57.25682	0.5
57.73760	0.5
58.00490	0.5
59.01252	12.6
61.98724	1.1
70.60983	1.9
71.01252	12.2
72.99179	1.3
73.02817	3.9
78.95817	0.5
83.01279	1.9
85.02829	5.1
87.00772	0.9
89.02317	7.4
93.03339	0.9
95.01262	1.0
99.00766	2.3
101.02323	8.6
113.02336	3.7
115.42662	0.6
117.03352	17.1
118.03676	1.1
119.04918	88.8
120.05247	2.9
121.02825	2.8
123.04428	0.9
125.02338	1.6
131.03352	0.7
135.04401	1.1
135.19923	0.5
137.09633	1.1
145.02856	88.2
146.03185	4.1
147.04460	1.6
149.04431	1.9
159.02818	0.6
161.04469	2.0
162.03156	0.7
163.03920	100.0
164.04282	5.1
175.12764	0.5
179.05498	0.6
181.12242	0.7
191.05528	0.7
195.13857	0.9
197.15317	0.7
207.13922	0.7
217.00357	0.7
224.75549	0.6
225.14882	3.1
246.46146	0.6
290.18253	0.8
354.81924	0.6
371.18625	60.7
372.18881	6.1
401.25485	7.4
402.25836	0.7
533.23651	99.0
533.29883	7.9
534.23944	15.6
535.67181	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3171
Annotation	L-olivosyl-erythronolide B
Peak:m/z	Relative Intensity
57.03318	2.6
58.00467	1.5
59.01249	14.5
69.85944	5.8
71.01250	21.7
72.71223	1.0
72.99173	7.2
73.02796	2.0
75.00745	19.7
75.03918	1.1
78.95809	1.0
83.01261	1.4
85.02818	28.3
87.00743	6.5
89.02300	7.2
95.01237	5.2
98.20551	1.7
99.00754	9.2
103.00237	2.7
104.19572	1.3
111.00739	1.5
113.02323	32.9
115.00239	1.2
117.01812	2.7
129.01790	1.5
157.01366	2.0
169.29167	1.4
175.02385	6.1
205.07047	2.9
230.22818	1.1
230.67403	1.2
249.06160	5.8
267.07208	6.9
281.24838	75.8
282.25156	6.7
349.08978	1.2
513.30383	1.4
531.31683	100.0
532.32184	15.7
538.30377	1.3
543.83887	1.1
547.14703	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2808
Annotation	Multifidoside C
Peak:m/z	Relative Intensity
50.02530	0.5
55.01750	2.6
57.03328	4.2
58.00451	2.9
59.01246	54.6
60.01608	0.7
61.98692	1.6
66.80418	0.5
69.03325	7.9
71.01247	100.0
71.04897	1.0
71.57817	1.1
72.01581	1.2
72.99177	5.4
73.02814	24.6
75.00739	4.7
81.03321	3.4
83.01254	9.6
83.04904	1.5
85.02820	26.0
85.06467	1.1
86.03156	0.8
87.00770	4.3
89.02309	83.9
90.02675	1.3
92.94632	0.6
93.03349	0.7
95.01265	5.6
95.04975	0.5
97.02827	11.2
99.00748	24.4
99.04398	2.4
100.01073	0.6
101.02317	41.0
106.80083	0.5
109.06477	0.6
111.00751	2.4
113.02322	24.5
115.00297	0.5
115.03892	9.0
117.01816	1.0
117.03342	4.0
119.03411	2.9
119.04900	4.4
121.02833	0.5
121.06423	0.7
123.08035	2.2
125.02325	38.8
126.02658	1.2
127.03884	1.9
127.43504	0.5
129.01805	0.8
131.03394	11.9
137.02371	0.7
137.09599	2.6
139.11189	1.6
143.03391	4.5
145.02841	19.5
146.03166	0.8
149.04453	17.1
151.00237	0.9
159.02887	2.7
161.02338	1.2
161.04451	24.2
162.04729	0.6
163.03905	4.3
165.05482	0.6
173.04504	1.1
179.14252	0.9
191.05534	12.5
201.05920	0.6
203.14471	1.0
204.93576	0.6
205.05119	0.6
205.12299	1.3
209.19115	1.4
211.69972	0.7
219.17480	9.0
221.15364	3.9
233.06599	42.3
234.07056	1.7
235.06198	0.7
235.16922	0.8
237.18533	15.5
238.18854	0.9
265.07077	1.0
271.02402	0.8
283.06107	0.6
287.01929	1.5
293.08752	65.2
294.09189	3.8
315.01459	7.2
316.01846	1.3
381.12219	0.7
393.12003	1.4
399.23788	6.4
462.07950	2.2
513.21350	5.2
531.28113	92.9
532.20972	1.0
532.28479	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	531.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99853	0.9
57.03339	1.5
59.01249	2.2
60.99175	16.3
64.91400	0.9
66.00829	2.3
69.03300	1.0
71.58247	1.4
77.52036	0.8
83.01297	1.0
88.98674	95.6
97.02830	2.4
107.01259	1.1
109.02823	6.5
121.02879	1.1
123.00758	2.1
123.04385	2.5
125.02330	52.7
126.02671	1.7
137.02365	5.8
145.02910	1.5
147.04555	1.0
149.02319	2.8
151.03911	3.6
159.04486	1.3
161.05888	1.0
165.01784	1.9
166.99785	2.4
169.01332	100.0
170.01685	2.2
187.03908	1.9
193.01366	4.2
194.28748	1.0
203.07072	2.9
205.05057	2.5
221.08139	1.1
231.02925	1.2
245.08133	5.6
255.12204	1.0
259.05984	1.0
271.06171	4.9
272.06308	1.1
289.07175	35.6
290.07578	2.3
299.01865	1.0
303.05014	2.6
303.96426	0.9
331.04520	1.9
441.08212	31.5
442.08548	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	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	0.3
57.03330	0.4
59.01248	8.4
64.18108	0.2
69.03320	0.2
69.30783	0.2
69.31088	2.3
71.01254	6.0
72.99181	0.5
73.02805	1.1
76.57555	0.2
79.95685	0.2
83.01268	0.6
83.04918	0.2
85.02818	1.3
87.00735	1.1
89.02319	5.7
95.01250	0.3
95.06717	0.2
96.95876	0.2
97.02810	0.3
98.19734	0.3
99.00753	0.3
101.02318	6.4
104.66137	0.2
111.08028	0.3
113.02327	3.0
113.09610	0.3
119.03393	1.6
125.02374	0.3
143.03365	0.6
161.04448	3.5
167.10753	0.5
177.46753	0.2
179.05475	1.4
179.14320	1.1
181.12236	0.3
189.15538	0.2
195.13837	9.5
196.14304	1.0
205.12250	0.8
205.15935	0.5
211.13326	0.4
223.13347	6.3
224.13806	0.5
228.13649	0.7
231.21130	0.5
235.08215	0.5
253.09259	29.7
254.09644	0.9
256.13129	1.3
265.21771	0.4
275.20139	5.2
276.20569	0.7
293.21213	100.0
294.21545	8.7
354.66736	0.2
372.10101	0.2
431.88440	0.2
492.22009	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96817	0.2
55.75588	0.2
69.95225	1.4
78.95770	1.4
79.95609	2.8
87.40506	0.2
94.91942	0.2
96.95883	100.0
100.62135	0.2
104.01212	0.2
106.05641	0.3
148.45462	0.3
227.03413	1.3
232.80757	0.3
255.02916	2.5
256.03320	0.3
284.03259	3.7
285.04004	3.1
286.04330	0.3
431.03958	0.3
431.09747	5.1
431.15216	0.4
432.10431	0.5
464.85593	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28876	0.2
57.03318	0.3
58.00471	0.3
59.01250	7.4
61.98689	1.1
65.32607	0.2
69.03326	0.4
71.01245	6.1
71.13170	0.4
72.99171	0.6
73.02819	0.8
78.95747	1.1
83.01247	0.8
85.02813	1.2
87.00742	0.7
89.02312	5.0
91.03885	0.3
92.30756	0.3
95.01263	0.4
97.02873	0.3
98.35268	0.2
99.00725	0.3
101.01687	0.5
101.02319	6.7
102.02654	0.3
111.08041	0.4
113.02333	3.6
113.09601	0.6
119.03386	1.8
123.55679	0.2
143.03394	0.7
148.99986	0.5
161.04451	2.9
167.10680	0.4
169.12242	0.5
179.05490	1.5
179.14330	0.8
195.13832	8.8
196.14426	0.8
205.12224	0.9
205.15903	0.5
211.13411	0.6
223.13326	5.8
224.13835	0.4
228.13570	0.7
231.21193	0.3
235.08189	0.4
253.09248	30.1
254.09595	0.9
256.13120	1.4
265.21741	0.4
275.20145	4.7
276.20392	0.3
291.19653	0.3
293.21201	100.0
294.21548	7.9
337.15616	0.3
394.31094	0.3
447.13501	4.2
492.22021	0.6
528.71112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	3.2
59.01252	15.3
59.29098	1.2
71.01250	21.3
71.56718	1.6
72.99173	6.6
75.00750	23.9
83.01245	1.7
85.02827	25.4
86.43600	1.2
87.00743	7.7
89.02318	3.8
95.01260	4.9
99.00753	11.6
103.00246	2.4
113.02321	33.3
115.00266	4.1
117.01812	3.4
129.01820	2.7
157.01392	1.4
175.02373	3.7
205.06857	1.2
214.00517	1.1
230.53046	1.2
231.05090	3.2
238.75638	1.1
249.06125	27.2
250.06456	1.3
267.07254	2.9
277.21713	89.3
278.22147	8.0
291.19754	1.9
352.12573	1.2
467.26282	2.0
509.27487	3.5
527.28595	100.0
528.28925	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	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01792	0.5
55.01747	1.3
57.03328	4.2
58.00477	0.6
59.01246	18.1
67.01747	0.9
68.99668	0.9
69.03321	0.8
71.01248	24.6
71.56832	1.0
72.99181	6.3
73.02809	1.9
75.00742	22.7
77.92326	0.4
83.01251	1.7
84.02057	0.7
85.02818	30.7
86.03140	0.5
87.00748	8.5
89.02313	5.9
95.01260	6.9
99.00749	11.8
101.02309	0.8
103.00252	3.9
104.76175	0.5
111.00778	0.7
112.01555	0.7
112.02322	0.4
113.02324	40.2
114.02670	0.6
115.00284	3.0
117.01816	4.0
129.01816	2.0
131.03391	0.9
139.00198	0.6
149.04424	0.7
157.01343	1.8
175.02386	5.3
193.03458	1.7
205.07129	2.9
223.08144	1.8
231.05046	1.2
233.16716	0.5
249.06134	9.7
259.20538	0.7
267.07193	9.9
268.07578	0.6
277.21701	66.5
278.22083	5.5
291.19620	0.7
400.23227	0.5
467.26361	0.7
507.24039	0.5
509.27380	3.0
527.28571	100.0
528.28925	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	527.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	13.9
59.01242	45.6
61.98698	7.2
63.53329	5.6
69.16550	4.3
69.31992	9.3
69.32394	41.7
71.01251	22.5
72.99191	8.1
73.02804	5.8
73.64924	5.3
81.03295	5.5
83.01254	9.7
89.02350	12.0
93.03319	6.6
97.02798	7.8
101.02320	10.3
109.02839	13.9
111.00736	5.5
113.02320	5.5
119.04874	9.6
121.02824	8.1
123.00740	5.9
123.04428	10.1
125.02332	100.0
128.73517	4.6
131.19971	5.1
137.02315	47.0
145.02798	24.6
149.02293	7.4
151.03925	9.7
154.21603	5.6
159.04369	11.5
161.05948	7.4
165.01826	6.9
169.01324	10.6
184.55800	4.7
185.05923	8.1
187.03984	9.0
203.06985	5.9
227.06996	10.6
233.54552	5.6
245.08179	7.2
253.04852	9.2
262.45444	4.9
271.06146	53.5
287.86020	5.2
289.07208	59.2
291.19562	11.4
326.90393	6.4
377.19797	10.3
419.53140	6.6
449.52689	5.3
483.23657	6.5
527.23114	17.3
528.22351	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	527.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97848	1.0
59.01236	3.1
63.78938	1.1
67.01750	2.1
69.24870	12.9
71.01250	7.4
72.99172	5.7
75.00730	5.1
78.95769	9.3
79.01759	1.1
83.01244	1.8
85.02805	1.6
87.00712	1.7
93.03325	3.4
95.01255	5.8
96.95866	1.3
97.02850	2.3
99.00741	1.6
101.02296	3.4
105.03302	1.0
107.01266	10.2
107.04903	7.3
108.02070	1.3
109.02827	1.4
111.00745	4.1
111.04469	1.3
113.02341	3.0
117.75950	1.2
119.04894	2.7
121.01945	1.9
121.02842	39.9
122.03149	2.4
123.00766	18.3
123.04417	11.7
124.01551	1.8
125.02332	66.1
126.02695	2.5
127.00249	1.8
133.02794	4.0
135.04407	9.2
136.04683	1.4
137.02296	2.3
139.00247	8.6
140.01068	5.5
141.01776	3.2
145.02797	1.4
145.31129	1.2
149.02350	2.5
150.03120	1.2
151.00304	9.7
151.03906	49.7
152.04240	3.2
153.01839	2.3
161.02342	4.8
163.03993	1.9
166.99765	9.3
168.00549	7.9
169.01334	100.0
170.01653	4.6
177.01836	13.4
179.03429	2.5
181.01210	1.5
195.02728	1.2
211.02354	9.5
241.03427	3.7
253.03535	2.5
271.04535	11.7
301.03387	1.7
312.04944	2.4
313.05640	93.3
314.06012	6.7
331.06912	1.5
380.99390	1.5
435.09320	36.8
436.09650	4.6
448.10437	1.9
449.10284	2.7
460.06213	1.2
465.10339	15.1
466.10663	2.7
475.08914	3.0
527.05383	3.7
527.12146	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	527.169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47491	4.4
57.03320	11.3
59.01251	10.8
61.98701	15.2
62.88876	4.6
70.45516	14.5
71.01263	10.7
73.02828	6.0
83.01283	8.0
83.38477	4.5
89.02316	5.7
92.09850	4.6
93.03328	7.5
109.02843	15.3
123.04427	7.9
125.02333	100.0
137.02332	59.7
145.02835	27.3
149.02307	13.1
159.04428	8.1
160.05336	4.7
161.06015	6.7
165.01894	5.9
179.03430	5.1
187.03972	12.7
203.07063	15.0
205.04990	6.8
227.07175	5.4
245.08113	10.7
253.05173	10.6
271.06128	51.7
281.08231	18.6
281.64478	5.5
289.07178	58.6
291.19754	13.4
297.73026	5.2
311.12830	24.9
329.14026	5.9
377.19873	7.0
483.24005	5.4
527.22968	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	527.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.2
60.26709	1.5
61.22886	1.3
63.60716	1.3
66.72015	1.5
67.01746	1.3
69.23952	7.4
69.24376	7.4
71.01243	5.2
72.99175	5.3
75.00743	2.6
83.01241	2.3
84.59966	1.3
85.02806	2.1
93.03318	2.6
95.01269	3.4
95.92178	1.4
96.95941	1.7
97.02822	2.4
101.02338	2.3
107.01271	10.3
107.04885	7.5
109.02839	3.2
111.00751	4.2
113.02322	2.0
119.04885	1.9
121.02828	36.1
122.03255	1.5
123.00746	16.3
123.04378	9.5
125.02324	58.4
126.02699	2.5
133.02841	1.7
135.04398	4.8
136.98528	1.4
137.02351	1.6
137.29797	1.5
139.00323	6.8
140.01056	2.5
141.01837	2.0
151.00255	9.0
151.03903	39.4
154.99709	1.8
163.04008	1.7
166.99722	8.3
168.00523	6.6
169.01331	82.6
170.01706	3.2
179.03397	3.0
188.58482	1.6
189.70856	1.6
195.02879	1.5
197.04436	1.5
205.48682	1.3
211.00661	1.5
211.02490	5.9
220.40355	1.5
241.03596	2.5
253.03596	1.4
271.04535	11.9
311.04016	1.4
313.05634	100.0
314.05984	6.6
350.55231	1.7
412.94702	1.4
416.83218	1.5
433.07913	1.4
435.09299	41.4
436.09555	2.8
465.10333	15.5
466.10977	2.7
527.10687	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	525.3196
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
59.01228	50.8
64.54141	17.6
64.85587	16.1
66.47881	19.0
71.01254	27.1
74.05393	17.4
92.55267	16.2
96.32446	17.2
103.67844	18.4
132.69810	20.8
177.83414	19.5
190.88194	24.1
202.79034	17.5
217.00394	24.5
242.53848	22.1
297.24130	30.1
424.55399	22.4
525.32501	100.0
526.33374	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	527.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24713	37.7
69.25134	46.3
72.99179	23.3
75.99303	7.4
77.29305	6.7
87.60225	8.7
94.70919	7.1
102.73889	7.3
109.02794	9.3
110.31406	7.7
123.04415	30.4
165.05444	15.2
181.04967	16.1
187.83025	7.2
255.04987	46.9
256.30267	7.7
271.04568	100.0
271.92886	8.1
279.33588	8.1
347.59119	7.4
418.12790	7.0
520.51624	8.1
547.73572	8.0
551.16736	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	525.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	2.8
57.03314	3.6
58.00463	1.5
59.01249	62.9
60.98182	0.9
61.98692	2.9
67.74718	0.8
69.03329	1.2
70.43906	0.7
70.97988	2.0
71.01250	41.6
72.99175	2.7
73.02814	19.4
75.00725	0.9
83.01251	14.7
85.02823	21.0
85.99973	2.7
87.00755	3.0
89.02317	4.9
95.01270	2.4
95.04842	1.0
95.49886	0.8
97.02814	1.7
99.00762	7.2
100.94456	0.9
101.02319	47.2
111.00768	1.8
113.02332	15.3
119.03391	1.4
122.03545	1.0
125.02325	2.9
129.01759	1.1
143.03473	1.4
145.04979	1.4
150.28963	0.9
159.02882	2.9
161.04430	14.1
163.06015	2.0
163.83850	0.9
197.11562	1.2
205.03398	1.2
227.16576	1.2
253.09175	1.7
289.18005	6.5
319.21228	80.4
320.21579	6.8
465.26993	100.0
466.27274	13.5
525.27087	1.5
529.61987	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	99.4
61.43872	4.8
61.98692	18.1
65.72267	6.2
67.49895	5.5
69.46228	32.5
69.46651	11.1
71.01250	81.3
72.99165	11.8
73.02830	22.2
73.64775	4.6
75.00754	7.0
83.01282	6.0
85.02828	21.4
89.02315	94.8
91.01759	5.4
93.03344	10.7
95.01269	8.1
98.19820	10.0
99.00757	31.5
101.02316	73.0
102.02626	5.6
102.66979	4.3
107.01264	5.1
109.02833	71.6
111.00776	10.2
113.02334	26.4
119.03419	9.6
119.04916	6.5
121.02834	10.9
122.03622	12.9
122.87563	4.9
123.00800	18.7
125.02325	43.3
131.03394	15.1
133.02805	4.9
137.02359	7.4
139.00252	7.3
145.02856	5.7
149.02396	31.6
149.04445	69.4
150.03123	35.0
151.00310	13.2
152.00992	5.3
153.01831	100.0
158.48920	6.1
161.04483	7.9
164.04596	5.1
165.05415	39.4
169.01326	35.5
185.06003	10.8
191.05452	15.9
195.06563	14.6
211.02364	14.5
221.06708	6.4
227.07063	64.4
269.04709	6.8
271.04648	14.8
297.06052	44.2
298.06110	5.1
333.50247	5.7
361.29495	6.4
362.29987	9.8
447.18103	6.1
477.19330	45.2
478.19238	5.7
507.17908	7.1
509.82578	6.1
524.35059	35.6
525.13892	89.9
525.20990	60.1
525.35321	53.8
526.14124	17.3
526.21307	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.5
59.01252	15.1
61.98690	0.9
63.97007	0.5
67.01744	1.2
69.03342	1.1
70.15234	1.1
70.15645	2.0
71.00883	1.1
71.01255	12.9
72.99171	2.2
73.02810	2.0
75.00763	0.7
79.01775	1.4
81.03343	0.7
83.01263	2.3
85.02835	2.9
87.00749	1.2
88.98693	0.7
89.02319	11.3
89.13924	0.5
92.78897	0.5
95.01256	3.4
97.02837	1.4
99.00761	1.7
101.02328	9.2
106.31039	0.5
107.01281	3.3
107.04967	0.8
109.02834	3.6
111.00757	2.6
113.02335	4.0
119.03394	1.8
121.02840	0.8
122.03680	0.7
123.00773	13.7
124.01622	0.7
125.02338	20.1
127.00210	1.1
131.03439	1.0
133.09952	0.6
136.98764	1.1
137.02333	0.7
139.00250	5.0
139.03854	0.7
140.01062	3.2
141.01782	3.0
141.39261	0.6
145.02884	0.8
149.02345	2.4
149.04472	1.8
149.42154	0.5
150.03123	2.1
151.00284	10.2
151.03920	0.6
152.00815	0.8
153.01883	4.6
161.02344	0.6
161.04478	0.8
163.03917	0.7
163.06070	0.6
165.01801	0.6
165.05505	2.1
168.00519	5.2
169.01332	26.1
191.05573	0.8
193.12337	1.2
195.06517	1.1
211.02414	13.8
211.13307	2.0
227.07097	1.7
271.01825	1.3
271.04556	13.9
275.24042	0.7
297.06143	1.8
313.05545	1.2
362.29816	0.7
373.18631	1.9
437.13907	0.7
477.19095	2.5
507.18677	11.6
508.19199	1.5
524.35266	5.5
525.19812	100.0
525.35162	2.8
526.20160	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	525.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12432	13.8
57.84150	18.5
59.01249	100.0
60.69984	14.2
61.98708	29.8
70.60730	28.5
70.61061	28.4
71.01258	42.8
75.00735	21.4
78.35693	14.7
81.90723	15.9
83.74930	15.7
101.02315	28.1
110.96423	16.2
113.02311	16.3
116.52742	20.3
119.04897	61.7
126.09478	15.4
161.04433	17.0
173.64078	16.0
184.69666	15.8
197.96530	17.3
288.10852	15.9
319.21207	25.2
327.12268	39.7
465.26498	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	5.0
69.03329	2.2
69.16882	2.1
69.58848	11.2
69.59255	5.6
71.01244	8.4
95.01259	4.8
101.02335	3.1
105.62753	2.8
107.01255	13.7
108.02064	5.0
109.02833	14.7
111.00754	5.4
119.04958	2.9
121.02825	3.6
123.00763	22.7
123.04388	6.4
124.01591	4.5
125.02338	76.5
126.02676	4.0
134.03638	8.3
136.01543	8.1
136.98685	3.5
137.02307	3.2
139.00241	8.8
139.03908	4.7
140.01050	7.8
149.05963	3.6
150.03142	5.5
151.00267	9.4
151.03905	13.2
153.05489	5.5
163.03917	6.3
164.00975	2.5
165.01759	13.6
165.05516	3.0
166.02625	7.4
167.03383	5.2
168.00531	10.0
169.01324	100.0
170.01802	2.8
178.02623	7.0
179.03368	9.0
181.04973	12.5
182.88385	2.4
183.02881	2.8
193.04930	12.4
211.06056	2.8
227.84459	2.6
271.04532	2.7
290.76929	2.7
304.26993	2.7
313.02316	3.7
313.05682	45.7
329.08804	17.2
343.10422	5.6
371.70703	2.3
465.10400	16.0
469.21744	2.5
495.11484	65.3
496.11581	6.5
507.11417	87.8
508.11703	13.6
525.12506	80.2
526.13062	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	525.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95654	0.9
59.01258	1.9
62.29197	1.0
63.94332	0.9
68.02074	0.9
69.03320	1.6
69.48769	6.6
69.49184	2.4
71.01249	6.6
72.99179	1.6
79.01776	1.3
81.03293	1.3
81.61977	1.0
93.03323	1.5
95.01252	2.3
98.19788	2.1
101.02308	1.3
105.78417	1.1
107.01253	10.9
107.04885	1.3
108.02089	1.0
109.02839	2.7
111.00751	1.9
113.02325	2.2
117.80810	1.0
119.04884	1.1
123.00755	14.7
123.04385	2.6
125.02338	69.7
135.04459	1.3
136.01576	2.3
138.03127	1.4
139.00259	4.3
140.01047	2.3
141.01881	1.3
148.01559	13.1
149.02261	2.3
149.06050	1.2
150.03133	2.6
151.00311	7.1
151.03920	3.7
153.05475	10.9
157.70006	1.1
163.03932	17.3
163.05208	2.4
165.01855	1.5
165.05452	2.0
166.02628	6.6
167.03415	3.9
168.00537	4.8
169.01332	100.0
170.01709	3.5
178.02626	12.7
179.03391	3.5
181.04988	22.2
193.01422	1.3
193.04977	12.8
196.03633	2.2
211.02408	6.0
211.06052	11.8
241.03394	2.1
271.04611	6.3
313.05640	90.4
314.05896	5.1
373.11456	3.6
375.05289	1.1
418.16150	1.1
419.96741	1.2
465.10397	22.3
466.10513	1.3
479.12082	1.7
495.11407	25.9
496.11508	2.8
501.08453	1.3
507.11377	60.6
508.11462	6.3
525.12518	45.9
526.13092	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	524.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48226	0.5
55.01742	0.6
57.03326	0.7
59.01245	12.3
60.01595	1.0
61.01675	1.2
61.98701	100.0
63.33833	0.5
69.30754	5.2
71.01251	5.9
72.01591	0.9
72.99167	0.6
73.01648	0.7
73.02817	2.8
73.26573	0.5
75.00738	4.4
78.95821	0.7
83.55331	0.6
85.02827	1.4
87.00775	0.9
88.01197	0.5
89.02303	3.6
90.02687	0.5
101.02325	5.9
102.02667	1.4
103.03900	1.2
111.16737	0.6
113.02347	1.0
119.03365	1.5
124.85320	0.6
125.02330	1.4
131.03404	0.9
135.04420	0.6
143.03432	1.2
157.05008	1.4
161.04523	0.6
163.06035	5.2
164.06386	2.4
165.06526	2.6
205.07053	0.9
206.07448	1.3
207.07608	0.9
209.11749	0.7
217.10779	3.2
223.63916	0.6
253.09325	1.2
287.22336	4.0
288.22644	5.0
368.44101	0.7
464.25034	1.6
507.43512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
57.03331	0.5
59.01251	3.9
61.98701	100.0
64.10265	0.2
69.60519	0.2
70.28287	0.5
70.28616	0.2
71.01250	4.2
72.99190	0.5
73.02827	1.0
75.33855	0.2
78.95789	0.2
83.01257	0.5
85.02824	1.8
86.50228	0.2
87.00758	0.4
89.02319	1.6
90.18494	0.2
95.01257	0.4
99.00806	0.3
101.02324	2.6
103.78576	0.2
109.71020	0.2
111.00758	0.2
111.24838	0.2
113.02290	1.3
119.03416	0.8
120.78961	0.2
123.00761	0.5
125.02357	0.8
135.04391	0.2
137.02330	0.3
151.00237	0.3
159.02908	0.3
161.04462	0.5
169.01373	0.7
179.05627	0.2
194.08173	0.5
212.65591	0.2
246.19139	0.2
287.22427	0.9
288.22644	0.3
299.09387	0.4
361.29602	2.5
362.30069	0.8
431.26541	1.5
432.26794	1.1
449.27402	2.1
450.27863	1.3
461.11258	0.5
521.88440	0.2
523.22327	0.4
523.34851	5.7
524.22375	0.7
524.35046	3.2
525.24310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.6
59.01243	14.2
61.98695	20.6
69.33537	14.2
71.01251	15.7
72.99174	1.7
73.02818	2.4
79.01730	2.0
83.01256	2.1
83.04887	4.5
85.02820	5.5
85.67902	1.3
89.02333	8.0
95.85841	1.3
97.81903	1.3
98.20548	2.9
101.02306	8.2
109.02831	1.7
113.02341	3.9
119.03374	3.5
121.02831	5.2
125.02306	2.5
137.02370	1.5
149.02324	2.3
161.04492	2.6
165.01833	11.0
179.15163	1.4
193.01346	4.4
257.04459	5.4
269.04517	14.6
285.04025	29.7
286.04318	2.6
313.03586	1.9
314.04294	73.7
315.05060	72.2
316.05417	4.5
361.17694	1.7
361.29459	5.2
362.29855	1.9
461.10852	100.0
462.11081	14.5
523.34821	24.4
524.21985	1.9
524.35547	22.6
524.85852	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	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.1
57.03325	4.0
58.00456	1.4
59.01249	30.0
63.82600	0.4
69.03320	0.4
69.65240	0.9
69.65648	1.9
71.01250	34.2
72.01582	0.8
72.99177	2.7
73.02811	8.4
75.00735	0.7
77.22463	0.4
83.01254	5.7
85.02819	16.3
87.00734	2.0
87.04395	1.0
89.02316	11.8
93.03345	0.4
95.01262	3.1
97.02843	0.7
99.00757	3.6
101.02319	23.5
102.02667	0.6
104.25743	0.3
111.00754	2.2
113.02325	13.4
113.87653	0.3
118.82874	0.3
119.03381	4.5
122.03527	0.5
123.00838	0.6
123.04391	0.4
125.02331	1.6
129.01773	0.6
131.03351	0.5
143.03394	1.1
145.02802	0.7
148.01674	0.4
151.00226	0.5
152.07039	0.4
159.02882	2.0
161.04463	5.8
163.03947	0.7
165.05467	0.7
169.01321	0.7
169.12297	0.5
179.03328	0.4
179.05515	1.1
193.05054	0.5
197.15405	1.1
197.80927	0.3
227.19893	0.4
237.18549	0.4
243.19568	0.9
253.58965	0.3
267.25903	0.4
273.05322	0.4
282.57928	0.4
283.23090	0.4
299.22287	0.5
301.10873	2.5
305.30981	0.4
315.25430	0.7
345.26324	1.3
359.28177	2.3
361.29575	23.1
362.29944	2.3
523.21478	3.5
523.34827	100.0
524.20410	1.6
524.35132	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	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	2.6
57.03325	4.5
58.00472	1.2
59.01250	31.3
60.01587	0.6
61.98698	0.7
65.59175	0.4
67.01758	0.8
68.99704	0.7
69.03322	1.0
69.28801	1.1
69.29205	3.8
71.01251	34.5
72.01565	0.5
72.99178	2.6
73.02816	9.7
75.00766	0.9
79.01778	0.9
83.01259	5.8
84.02046	0.5
85.02823	16.3
87.00750	1.5
89.02315	12.8
95.01263	3.8
97.02848	1.5
99.00744	3.0
101.02324	24.8
102.02667	0.8
107.01275	2.2
107.03395	0.5
111.00740	2.7
113.02328	12.2
114.62715	0.4
119.03382	5.7
120.03705	0.5
121.02905	0.5
123.00777	10.2
123.08080	0.8
124.01672	0.6
124.21217	0.4
125.02335	10.8
127.00302	0.7
127.11253	0.7
129.01843	0.7
131.03406	1.1
136.98698	0.9
139.00250	2.7
140.01088	1.9
141.01874	1.7
143.03400	1.4
151.00250	6.5
151.01344	0.5
153.09178	0.6
159.02937	2.5
161.04445	6.5
168.00552	2.4
169.01317	12.6
169.12292	0.7
170.01732	0.8
171.13861	1.6
179.05573	1.3
187.13361	0.7
201.15022	1.6
211.02483	0.7
269.04758	0.9
271.04831	0.7
285.04022	1.1
313.05841	0.6
314.04382	3.7
315.05008	2.8
315.25443	0.7
352.89404	0.5
357.25864	0.4
359.28299	1.9
361.29572	23.4
362.30133	1.9
390.79477	0.4
461.10864	4.7
461.15848	0.4
504.48810	0.5
523.22162	58.6
523.34741	100.0
524.22479	10.7
524.35120	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	523.291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82099	0.6
59.01250	2.5
63.76600	0.7
72.99158	0.8
73.96822	0.5
109.02833	0.7
111.00746	0.7
117.03364	1.1
121.02816	1.8
132.02063	1.0
133.02847	22.4
134.03659	10.9
135.04410	49.0
136.04730	1.8
137.02342	6.5
137.58125	0.8
139.03922	2.3
150.03119	0.8
161.02344	86.6
162.02672	4.4
178.02641	1.9
179.03415	23.5
180.03726	1.2
197.11810	0.8
235.05739	0.7
249.11993	0.7
287.22324	5.6
295.22861	0.9
301.47354	0.8
313.07153	2.2
325.23956	0.9
363.25430	0.9
431.24350	32.8
432.24606	5.5
449.25449	15.1
450.25940	2.2
466.96286	0.7
478.82816	0.8
523.29089	100.0
524.29376	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	523.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	3.0
70.22202	0.7
70.22602	0.8
71.01256	1.2
89.02296	1.6
91.03899	0.6
93.03352	0.5
101.02321	0.6
106.04156	0.5
107.04902	0.7
113.02354	0.6
114.45325	0.3
115.57642	0.3
117.03333	1.7
119.03395	0.6
121.02821	1.0
123.04413	0.3
132.02086	0.8
133.02847	22.1
134.03642	11.0
135.04411	45.3
136.04745	2.0
137.02341	6.3
139.03891	1.9
149.02318	0.5
150.03174	0.7
160.01482	0.3
161.02345	85.7
162.02682	4.1
178.02647	2.3
179.03409	20.7
179.05124	0.4
180.03775	1.0
223.57288	0.3
235.06102	0.8
269.21323	0.5
285.20932	0.3
287.22272	7.4
288.22565	0.6
363.25296	1.3
381.12518	0.4
387.25821	0.3
431.24332	34.6
432.24765	4.8
449.25439	15.5
450.25867	2.7
523.29083	100.0
524.29449	15.8
524.37390	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03309	0.8
59.01254	3.4
59.95859	0.6
60.81441	0.6
61.98680	0.7
70.00850	2.8
78.95771	29.2
82.42663	0.6
96.96845	1.9
97.06447	0.7
97.97971	0.7
113.09619	2.8
127.81711	0.7
135.04419	2.2
136.04797	0.8
137.02396	0.6
145.02844	1.0
152.99481	46.7
161.02316	3.8
162.02660	1.4
171.00557	3.2
177.12694	0.9
179.03401	0.6
179.14343	1.3
181.12314	0.8
195.13832	22.3
196.14154	1.5
215.34531	0.6
217.00346	1.2
227.03151	5.3
245.04175	1.2
277.21707	18.0
278.22021	1.5
293.21417	0.8
295.22763	86.2
296.23135	7.2
431.22650	2.4
432.23648	0.7
449.24139	0.9
510.56006	0.7
523.26794	100.0
524.27197	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	523.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94041	0.5
59.01238	3.8
71.01246	0.7
78.95774	27.9
96.96823	2.3
110.93284	0.5
113.02211	0.7
113.09599	3.8
114.84030	0.5
116.65708	0.7
116.99680	0.6
121.19262	0.5
133.02872	1.1
135.04437	3.0
136.04752	0.9
137.14346	0.6
145.02899	0.7
150.97845	0.9
152.99480	43.9
161.02318	3.0
162.02672	2.0
163.02859	0.6
171.00577	3.1
177.12852	0.6
179.03444	0.8
179.14236	1.5
195.13829	23.3
196.14207	1.1
217.00369	0.6
227.03201	4.7
245.04309	2.4
254.76627	0.6
277.21695	18.7
278.21994	1.6
295.22757	88.9
296.23074	9.0
336.98727	0.6
430.22397	0.7
431.22314	2.7
432.22446	0.6
449.23431	0.6
505.28339	0.6
523.26788	100.0
524.27130	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	523.2199
Annotation	Mascaroside
Peak:m/z	Relative Intensity
55.01754	2.4
57.03327	1.3
58.00461	1.7
59.01249	28.6
60.01581	1.3
60.04179	1.0
60.99165	3.0
71.01254	30.0
71.58189	1.1
72.01584	1.4
72.99198	4.9
73.02816	4.0
75.00745	2.8
83.01250	3.6
85.02821	9.3
87.00744	2.7
88.98680	20.1
89.02319	18.5
89.02835	1.8
90.02681	1.5
91.02738	2.1
93.03331	1.7
95.01250	2.9
96.95862	2.3
99.00758	2.0
101.02319	18.1
102.02642	1.6
108.02026	1.6
109.02814	6.0
113.02326	9.0
114.02653	1.5
119.03407	7.3
119.04949	1.4
120.03724	1.0
121.02847	12.2
122.03632	9.3
123.00798	1.5
123.04390	3.4
124.01528	1.9
125.02335	3.5
129.03407	1.1
133.02922	1.0
135.04439	1.9
136.05173	1.2
137.02348	4.1
140.06516	1.0
143.03403	1.4
147.04422	7.2
148.05302	2.1
149.02333	1.2
149.05974	1.5
150.03067	1.6
151.00259	1.2
154.02570	1.8
161.02393	1.3
161.04463	1.8
161.05913	1.9
163.03938	1.8
165.05484	23.2
169.01273	2.3
172.42348	0.9
173.05978	1.5
174.43755	0.8
177.05426	1.1
179.05510	2.4
179.07057	7.2
180.97343	0.8
182.43947	0.8
189.05557	1.3
191.06969	2.0
209.08023	1.6
209.11717	1.1
255.02934	1.9
271.02444	3.9
298.11676	1.1
300.02692	10.4
301.03476	3.3
313.14426	1.8
315.12448	1.4
328.13275	2.6
329.13849	1.1
343.15347	6.7
346.14175	9.0
347.14795	2.6
351.22757	1.1
361.16556	95.7
362.16888	9.4
433.07687	11.8
434.07996	1.9
477.23590	2.3
523.21832	100.0
524.22150	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	523.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	2.2
57.03334	4.3
58.00465	2.1
59.01250	25.0
60.73433	0.5
61.98704	1.3
63.07898	0.6
67.01755	1.4
69.03324	1.3
69.52918	4.9
69.80476	0.5
71.01254	33.7
72.99184	3.6
73.02821	8.4
75.00741	2.3
77.03738	0.6
78.64909	0.6
78.95798	0.9
79.01788	0.8
83.01257	6.1
85.02824	15.2
85.99987	0.6
86.03174	0.7
87.00741	2.8
87.04407	1.2
89.02306	9.6
93.03282	0.7
95.01255	5.4
97.02834	1.5
99.00750	3.9
101.02325	24.6
101.03003	1.3
107.01266	3.9
107.04941	0.8
109.02836	0.9
111.00751	3.5
113.02335	14.1
117.03334	0.9
119.03387	5.3
119.04924	1.3
121.02867	0.9
123.00772	15.1
123.01653	1.1
123.04419	0.7
124.01614	0.8
125.02338	17.3
126.02685	0.7
129.01826	0.9
135.04410	1.8
136.98717	1.5
137.02356	2.0
139.00246	4.5
140.01073	3.7
141.01860	2.6
143.03410	1.2
143.10657	1.0
151.00270	13.6
151.03931	0.8
153.01823	1.0
153.09171	0.7
159.02905	1.4
161.04446	4.6
163.03900	0.9
165.01840	0.6
165.05458	0.7
168.00580	3.7
169.01337	22.7
169.12195	0.7
170.01717	0.9
175.03896	0.7
179.03493	1.1
179.05525	1.2
181.05089	0.7
182.89165	0.6
187.13432	0.8
192.38480	0.7
201.15080	0.7
211.02487	1.5
233.04538	1.2
241.05446	0.6
271.04895	0.9
271.22919	1.0
272.12186	0.7
285.07562	1.2
301.95972	0.6
313.05759	1.5
315.25543	1.6
359.28198	1.8
360.28448	1.7
361.29578	22.6
362.29944	1.1
522.33740	1.8
523.22003	100.0
523.34644	91.5
524.22308	13.7
524.34845	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	523.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.7
57.58657	0.7
59.01247	5.4
61.98699	7.3
65.00194	1.5
69.03324	0.9
70.93119	1.6
71.01241	4.1
73.02792	1.4
74.22764	0.8
79.60354	0.6
81.03329	4.8
83.01238	2.5
85.02841	1.8
85.15346	0.7
87.04382	4.4
89.02300	1.3
97.02827	1.4
99.08029	1.8
101.02328	2.4
107.01259	4.3
108.87136	0.8
109.02824	4.5
111.00727	1.0
113.02304	1.1
117.46398	0.6
123.00764	3.2
123.04430	1.9
123.08041	3.0
124.01526	1.1
125.02336	44.9
125.05957	4.7
126.02605	1.0
133.05125	0.7
135.04449	1.1
136.05205	0.9
137.02344	1.8
138.74416	0.7
139.00261	1.4
140.01041	0.9
141.09103	1.0
145.02850	1.6
149.02353	1.7
151.00249	4.0
151.03886	2.6
153.01866	4.5
165.09120	34.0
166.09436	2.0
168.00533	2.2
169.01334	39.3
170.01555	0.7
183.32118	0.8
191.07039	1.6
203.07069	0.9
209.08136	71.4
210.08502	3.9
211.02435	7.5
233.08130	5.1
245.08221	0.8
261.65756	0.7
271.04526	4.4
275.09146	0.8
289.07254	5.0
313.05646	18.1
314.06110	0.9
334.34451	0.8
343.11746	1.0
387.14584	5.5
439.08594	1.0
463.25531	1.1
523.14545	100.0
523.34772	2.1
524.14850	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	523.1243
Annotation	Mayoside B
Peak:m/z	Relative Intensity
54.75324	0.8
59.01250	3.2
65.00190	1.5
71.01260	1.8
71.78780	1.0
71.87355	0.9
78.95776	0.9
98.19817	2.4
98.79088	0.9
107.01265	2.1
109.23845	1.0
121.02828	1.6
145.02863	1.6
151.00278	7.9
160.60941	1.1
161.02415	1.2
178.99800	2.3
183.04376	2.2
186.03159	1.6
187.03951	1.5
198.03226	1.5
199.03944	6.8
203.03574	1.5
209.08073	1.3
214.02673	4.1
215.03488	3.3
216.00453	1.3
217.00137	1.6
226.02638	1.6
227.03447	5.0
241.01390	14.1
242.02106	8.1
243.02904	12.5
245.00868	10.5
254.02130	1.6
255.02943	16.2
256.03592	2.0
270.01691	31.8
270.04623	1.8
271.02451	31.4
272.03003	1.4
282.01724	4.1
285.04025	12.4
298.01187	9.9
299.01962	57.2
300.02692	37.0
301.03210	7.5
313.03528	100.0
314.04233	38.6
314.07898	1.9
315.05051	26.3
316.05460	2.2
493.11694	1.4
505.11557	3.1
523.12567	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	522.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.3
57.03321	1.1
58.00463	1.1
58.57124	0.4
59.01249	36.0
60.01585	1.9
60.07191	0.3
60.42495	0.3
61.98700	100.0
67.13605	0.4
69.03319	0.7
69.99460	0.8
69.99863	1.4
71.01250	17.2
72.01598	0.9
72.99185	2.1
73.02816	5.7
75.00749	0.9
83.01249	2.0
84.25815	0.4
85.02807	4.5
86.03168	0.6
87.00748	1.8
87.04394	1.4
89.02314	14.4
90.02655	1.2
93.03344	0.5
95.01278	1.0
97.02829	0.5
99.00742	0.7
101.02320	19.9
101.62893	0.3
102.02651	2.0
103.03883	5.7
104.04224	0.6
105.37440	0.4
108.02057	0.7
109.02850	0.9
113.02336	4.9
114.02666	0.6
115.03895	1.4
119.03394	6.5
119.05000	0.4
120.03748	0.4
125.02361	2.0
127.03911	0.7
131.03397	2.9
135.04411	0.9
138.20427	0.3
143.03406	5.0
144.03711	0.9
145.02965	0.4
145.05009	1.8
149.04541	0.5
152.01071	0.6
156.73264	0.4
161.04503	1.1
163.06030	18.9
164.06371	2.6
164.66122	0.4
169.01302	0.4
175.03807	0.4
179.03696	0.3
179.04164	0.4
179.05522	2.3
180.05902	0.6
205.07094	7.9
206.07443	1.7
207.02902	0.3
218.85440	0.4
239.07234	0.4
241.05159	0.8
255.06601	7.4
256.06952	0.6
265.09409	1.3
269.04568	1.5
283.06107	5.7
284.06741	1.3
312.06406	10.6
312.09827	0.8
313.07077	7.8
313.10422	0.5
315.18228	0.8
316.18439	0.6
343.52222	0.3
359.28116	1.5
459.12967	21.2
460.13147	2.5
461.23944	5.3
462.24197	6.9
478.18698	0.4
504.12631	0.5
521.33319	1.5
522.15918	0.9
522.33844	1.2
523.22223	0.5
539.54694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04201	0.3
54.35402	0.4
55.01751	2.2
57.03325	4.6
58.00464	2.3
59.01249	32.3
68.99693	0.5
69.03330	1.0
69.44723	2.7
71.01252	44.9
71.04891	1.9
72.01585	0.5
72.99184	4.4
73.02815	10.9
73.58789	0.3
75.00752	1.1
78.95755	0.4
83.01254	7.0
83.04894	1.4
85.02818	20.2
85.06426	0.3
85.99997	0.4
86.50935	0.3
87.00748	3.0
87.04383	3.1
88.98678	1.3
89.02315	17.4
90.02686	0.3
93.06977	0.4
95.01257	3.6
96.95878	0.6
96.96821	0.4
97.02813	1.0
97.06463	1.1
99.00761	4.6
101.02318	28.3
102.01872	0.3
102.02648	0.6
103.00260	0.4
109.02821	0.5
111.00779	1.2
111.08050	0.4
113.02328	16.5
113.09606	0.5
119.03381	8.5
119.04819	0.4
121.02827	0.3
123.00758	1.3
123.04391	0.5
125.02322	3.6
127.07533	0.4
127.11167	0.6
129.01822	1.2
129.09102	0.6
131.03378	1.3
135.04469	0.4
137.02296	0.3
137.09598	1.0
139.00269	1.0
140.00993	0.5
141.01860	0.6
143.03401	1.9
145.02829	0.6
149.04433	0.8
151.00290	1.5
153.12749	0.7
155.10683	1.3
157.12233	0.9
159.02914	2.5
159.10162	1.1
161.02336	0.5
161.04465	7.3
163.03886	0.4
163.07639	0.4
166.05089	0.4
166.66304	0.3
169.01300	1.3
171.13792	0.5
173.11748	0.8
175.03882	0.5
177.01849	0.5
179.05510	2.5
181.15880	0.4
183.13826	1.7
183.42197	0.4
201.14868	3.1
207.06511	0.6
211.02473	0.7
211.17003	1.5
230.15114	0.7
241.18036	2.3
248.16481	0.4
249.11076	1.2
251.20256	0.4
253.21744	0.5
258.05280	1.1
267.12140	0.5
271.04526	0.9
271.22794	0.6
299.25800	0.7
300.06229	0.5
301.03427	0.4
311.25891	0.4
313.23785	0.6
316.05762	0.6
329.26727	0.8
339.25342	0.4
341.26920	2.2
343.24747	0.5
357.26752	1.7
359.27997	45.8
360.28363	4.9
369.13629	0.4
392.20703	0.5
406.05359	1.9
461.23615	0.6
463.21985	0.7
503.11993	3.9
503.32101	0.6
521.20264	3.4
521.33264	100.0
522.20703	0.7
522.33655	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	521.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.3
56.97837	0.6
57.03321	8.0
58.00460	3.5
58.86904	0.7
59.01247	58.8
60.01584	0.7
68.99687	0.7
69.03339	1.3
71.01248	74.5
71.57413	1.0
72.01575	1.6
72.99180	7.4
73.02814	11.4
75.00743	2.4
83.01254	8.1
84.02052	0.7
85.02815	27.3
85.06441	0.8
86.03152	1.0
87.00749	4.3
89.02312	36.7
92.21341	0.7
93.03326	10.1
93.06973	2.5
95.01260	8.0
95.22861	0.7
97.02822	2.6
99.00744	5.5
101.02316	49.0
102.02664	1.6
103.00262	0.7
107.01250	1.9
107.04865	0.8
109.02827	2.8
111.00739	2.8
113.02323	29.8
119.03373	18.0
119.04900	3.0
121.02810	1.4
121.06438	1.5
123.00745	3.1
123.04375	0.7
124.01561	1.3
125.02338	11.4
129.01833	1.0
131.03400	2.3
135.04405	1.6
136.01567	1.4
137.02332	25.4
139.00237	2.1
140.01027	2.1
141.01791	1.2
141.33830	0.7
143.03397	4.5
143.10654	1.2
144.05676	1.4
145.02834	4.0
146.03148	0.8
147.04446	1.0
149.02342	1.0
149.04449	1.3
149.05951	1.1
149.09592	1.7
151.00258	2.9
151.07527	0.8
152.01038	1.4
153.01862	5.2
153.09023	0.8
155.03406	0.7
159.02905	3.0
159.08098	1.4
161.02370	1.2
161.04460	17.1
161.05830	1.5
163.03876	2.9
165.01869	0.9
165.05536	0.8
167.03323	1.2
168.00562	6.3
169.01326	17.4
170.01668	1.2
172.16655	0.7
177.09114	6.5
179.03432	3.7
179.05508	7.1
179.06966	1.3
181.12184	1.0
189.86201	0.6
195.02893	1.1
203.10681	1.4
205.08472	1.0
211.02409	27.8
212.02737	1.6
221.11777	3.8
225.11221	1.4
229.18039	11.2
239.05469	0.9
239.12738	0.8
241.03481	1.6
255.05019	2.1
264.17328	0.8
271.04550	47.3
272.04944	2.7
281.06635	20.9
282.06921	1.2
300.55991	0.8
331.06631	7.2
332.06689	0.8
359.27991	24.0
360.28271	2.4
391.23270	2.7
406.05417	2.4
461.19812	1.4
491.32214	0.8
503.11835	2.7
514.60059	0.7
521.20801	32.9
521.33234	100.0
522.20758	5.9
522.33569	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	521.2517
Annotation	Cognatine
Peak:m/z	Relative Intensity
51.14346	0.8
56.77712	0.7
59.01234	2.6
71.01236	0.9
71.57397	1.0
78.95773	35.1
81.57979	0.8
82.98068	0.7
86.10462	0.8
96.96841	2.9
120.29261	0.8
125.02309	2.6
133.02831	0.8
135.04387	2.6
152.99480	49.5
155.10638	1.2
161.02338	3.0
169.01315	4.7
171.00533	5.2
171.10153	1.6
179.03415	1.6
179.14294	1.5
181.12334	0.8
195.13829	13.2
196.14284	1.2
205.12372	1.2
211.13181	1.1
223.13316	8.2
227.03212	5.8
245.04288	1.1
255.02895	1.3
256.12921	1.3
275.20239	4.5
283.02609	1.3
284.03436	1.0
293.21213	66.0
294.21506	7.1
369.13358	3.0
429.21417	1.5
452.18115	1.1
521.25183	100.0
522.25616	12.5
534.80463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.9
67.98049	0.4
70.87048	0.4
70.87379	0.8
71.01250	0.5
78.95775	1.1
80.89677	0.3
95.69665	0.3
107.04930	0.6
113.09615	1.3
117.03371	1.1
119.04917	1.0
121.02854	1.4
121.48642	0.4
123.04403	0.4
132.02039	1.0
133.02846	26.2
134.03654	9.9
135.04413	48.6
136.04756	2.1
137.02339	6.1
139.03885	2.3
145.02859	1.8
149.02434	0.4
150.03131	0.9
152.99471	1.9
157.12340	0.4
160.01443	0.4
161.02345	96.0
162.02698	3.5
163.03867	1.0
178.02585	2.1
179.03406	19.7
180.03720	1.3
235.06116	1.0
267.19678	0.8
285.20709	8.2
286.21045	0.7
293.21210	4.2
345.17554	0.4
361.23792	1.5
385.24240	0.5
429.22791	35.8
429.53378	0.4
430.23203	4.3
447.23849	16.0
448.24277	1.9
521.27533	100.0
522.27850	14.3
535.48621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.4
59.01249	2.9
65.47897	0.6
69.03294	1.0
71.57176	1.0
78.95774	24.7
88.64157	0.7
90.64890	0.7
96.96863	3.5
97.06473	1.6
109.06454	0.9
113.09605	20.6
114.09951	1.2
132.02078	1.1
133.02844	15.6
134.03636	6.3
135.04413	28.8
135.05434	1.5
136.04723	0.7
137.02336	3.9
139.03909	1.1
139.11183	1.6
152.99486	39.7
161.02341	59.9
162.02707	1.7
167.10611	3.6
169.12259	1.1
171.00575	2.4
177.12759	1.2
178.02589	1.3
179.03416	12.8
179.10670	4.0
195.13879	2.9
197.11734	0.8
201.84021	0.8
218.26395	0.8
227.03181	3.5
236.02296	0.8
241.77319	0.8
245.04268	1.8
249.22238	2.6
260.96936	0.6
285.20691	4.4
290.58414	0.8
293.21213	97.7
294.21521	9.6
361.23563	1.0
429.22812	21.1
430.22903	2.7
447.23917	10.9
448.24121	1.0
521.26202	100.0
522.26660	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	521.2026
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
55.07162	0.5
69.46851	4.1
71.01241	1.7
85.02825	0.8
98.20514	0.7
101.02309	1.1
104.07206	0.4
108.02038	0.7
109.02831	13.4
110.03184	0.6
113.02391	0.7
114.08302	0.4
117.48186	0.4
123.04417	0.8
125.02364	0.8
159.04427	6.4
171.04391	1.0
173.05986	4.4
189.05472	4.3
190.06236	1.0
191.07101	2.7
203.07097	2.7
225.05589	0.6
240.04248	2.2
241.05013	9.8
242.05275	1.0
251.07063	0.7
255.06581	6.2
256.07202	1.1
265.08688	0.7
267.06561	1.0
269.08209	2.6
281.08139	1.0
283.09756	0.6
295.09622	1.0
298.08502	1.2
299.09229	7.0
300.09454	0.7
309.17105	0.6
313.10797	11.9
314.11349	0.9
327.12308	0.9
327.82410	0.5
328.09232	0.6
329.10300	5.3
339.90366	0.5
343.11789	2.9
344.12619	41.1
345.13062	3.5
356.12878	0.5
359.14978	100.0
360.15311	9.2
431.14764	0.7
521.20135	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.6
56.06062	0.3
57.03317	1.9
58.00459	0.8
59.00947	0.8
59.01245	16.8
67.01751	0.7
69.03316	0.8
71.01247	22.3
72.99175	2.7
73.02814	5.9
75.00755	0.7
77.52631	0.4
79.01740	0.6
83.01250	4.2
85.02812	10.1
85.99971	0.3
87.00756	1.9
89.02306	8.0
89.02824	0.6
93.06968	0.9
95.01263	2.4
96.00793	0.5
97.02817	0.8
98.20659	0.8
99.00758	2.4
101.02313	16.8
104.52869	0.3
107.01250	3.5
108.76962	0.4
109.02827	0.6
111.00748	3.4
113.02327	8.4
117.24317	0.4
119.03378	2.9
123.00742	4.8
124.01491	2.1
125.02328	20.6
126.02705	0.6
127.00276	0.9
129.01875	0.5
131.03374	0.5
135.04465	0.4
136.98680	1.0
137.02303	0.6
137.09618	1.8
139.00230	2.8
139.03944	0.8
140.01044	3.4
141.01790	0.7
143.03400	1.3
143.10684	2.3
149.02347	0.5
149.04384	0.6
151.00253	2.4
151.03978	0.4
153.01883	0.7
159.02913	1.7
161.04428	5.4
161.13297	0.5
163.03928	0.6
165.01848	0.6
165.05481	0.6
166.99799	0.5
167.03381	1.1
168.00523	11.1
169.01320	33.1
170.01659	1.4
179.03413	0.6
179.05539	2.0
183.02861	0.6
193.01318	0.6
211.02403	55.5
212.02711	2.4
229.18001	2.0
241.03517	1.9
255.05043	0.6
269.08234	0.4
271.04559	100.0
272.04889	5.5
281.08179	0.7
313.05786	0.4
326.11624	1.0
327.12491	0.4
329.13678	0.5
331.06677	17.9
332.07108	1.1
341.14023	0.6
341.32303	0.4
354.45026	0.3
359.27960	8.1
360.28525	0.4
391.23392	2.0
397.24899	0.4
406.05371	0.7
473.15021	0.4
491.19196	4.6
492.19373	0.6
503.12045	0.8
503.18988	4.4
503.31476	0.4
504.19424	0.6
521.20599	17.5
521.33185	42.2
522.20959	2.2
522.33374	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	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72639	1.5
55.01736	4.6
57.03310	6.4
58.00448	5.4
59.01248	94.2
61.70098	1.6
65.00186	2.9
68.12741	1.7
71.01247	100.0
71.57201	2.2
72.99181	9.6
73.02811	12.4
75.00719	3.3
82.45131	1.4
83.01258	7.5
85.02822	28.9
87.00740	7.1
89.02309	76.0
93.03312	14.5
93.06952	3.2
95.01266	8.2
99.00747	6.0
101.01688	3.2
101.02322	53.4
103.00227	2.3
107.01260	1.8
107.04906	2.1
108.02036	4.6
108.18095	1.8
109.02820	6.7
111.00768	3.9
113.02328	34.1
119.02574	2.3
119.03387	26.9
119.04917	1.9
121.02849	1.9
121.06428	1.8
122.67744	1.8
123.00764	3.1
125.02309	7.5
134.06738	1.7
135.04373	3.6
136.01556	3.0
137.02332	32.2
137.99484	1.5
139.00230	5.9
139.03783	1.8
140.01064	2.7
143.03423	5.5
145.02838	3.3
147.04385	1.9
151.00224	8.0
152.01003	6.6
153.01767	5.9
159.02852	3.0
159.04343	2.5
161.04497	12.0
163.03934	2.8
165.01831	3.7
165.05478	3.4
165.98975	2.8
166.99747	2.3
169.01300	4.5
172.04875	1.8
175.03862	2.4
177.09079	8.6
178.99716	4.2
179.03371	5.0
179.05556	10.1
179.07014	3.0
190.02571	2.1
191.03305	2.2
199.03880	2.3
203.10690	2.2
211.02335	2.2
221.11760	5.9
224.04686	3.8
229.18024	6.6
238.06223	2.0
242.02051	2.0
243.02921	5.1
254.09357	2.4
255.02809	3.1
255.05112	6.3
255.10265	5.7
258.05206	1.9
259.02731	2.1
259.05927	2.1
266.05643	1.8
267.10507	1.9
269.11615	2.2
270.01636	3.7
271.02322	12.7
271.04907	2.4
272.02969	4.6
281.06592	23.4
283.09702	24.7
287.01935	6.7
288.02402	2.5
295.09641	3.3
296.10583	2.1
298.12085	3.2
299.02029	12.2
311.09210	49.4
311.12756	2.6
312.09671	4.2
316.02231	21.0
317.02924	9.4
325.10736	5.4
326.11536	30.6
332.60828	1.6
341.10397	3.4
341.13901	47.3
342.14426	3.2
359.27893	8.6
359.53046	1.9
391.23276	9.9
406.05368	4.4
435.53165	2.2
449.09958	1.7
503.11993	5.1
503.19128	2.3
521.09442	31.6
521.20227	26.1
521.33228	96.8
522.09796	7.5
522.20331	5.0
522.33533	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	521.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08912	0.2
59.01245	0.6
61.91004	0.2
69.46774	1.9
70.00932	0.2
71.01244	2.0
71.40765	0.2
73.02811	0.6
85.02821	0.7
87.37798	0.2
91.19157	0.2
93.03308	0.3
95.01241	0.4
99.00725	0.3
101.02318	1.1
101.71648	0.2
108.02044	0.3
109.02827	0.3
111.00749	0.3
113.02309	0.8
117.46597	0.2
121.02839	3.5
122.03671	1.2
123.00760	1.0
123.04399	0.7
124.01511	0.5
125.02341	0.4
131.04887	0.4
134.03551	0.2
135.04385	0.5
136.01566	0.3
136.05179	0.9
137.02347	1.0
143.05022	0.4
145.02924	0.3
146.03600	0.4
147.04439	1.9
149.02356	1.8
149.05959	0.4
150.03140	4.8
151.00246	0.3
151.03845	0.5
158.03615	2.1
159.03044	0.3
159.04417	7.0
160.05208	22.5
161.04465	0.9
161.05972	6.3
162.03188	0.3
162.06389	0.4
163.02666	0.4
163.03929	4.7
164.04706	4.7
165.05302	0.3
166.01901	0.3
169.01334	0.7
173.05988	2.7
174.06656	0.3
175.07567	21.7
175.68356	0.3
176.04659	0.5
176.07890	1.1
177.05498	5.2
178.06265	6.3
179.06708	0.4
180.07869	0.2
191.07146	0.6
192.07834	1.1
193.08635	2.4
255.10019	0.3
269.08084	1.8
271.02234	0.3
271.09756	0.4
281.08212	0.4
283.09775	0.9
287.01895	0.3
299.09189	1.4
299.12439	0.4
311.09213	1.7
312.09317	0.3
314.11578	4.2
315.11996	0.3
316.02200	0.3
317.02640	0.3
326.11377	1.2
329.13919	100.0
330.14252	10.0
341.10239	0.3
341.13950	3.6
342.14252	0.3
359.11099	0.4
359.14993	2.9
360.15411	0.4
360.30505	0.3
521.10590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2025
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
55.01749	1.9
57.03316	2.5
58.00457	1.8
59.01249	37.5
61.98711	1.0
67.01760	1.5
69.03313	1.7
69.49178	4.1
69.49609	1.7
71.01250	36.5
72.99168	7.0
73.02834	3.8
75.00749	0.8
79.01782	0.7
83.01249	4.1
85.02816	10.7
85.06455	1.1
87.00734	2.5
87.04398	1.2
88.98679	7.6
89.02313	34.4
93.03323	0.9
93.06944	1.3
94.69220	0.7
95.01247	4.1
96.95870	0.7
97.02801	0.8
98.19743	1.4
99.00771	2.6
101.02318	26.6
103.00292	1.0
103.40757	0.7
104.43609	0.7
107.01264	4.9
107.04830	0.7
111.00759	4.5
113.02323	15.4
115.55418	0.7
117.03311	1.0
119.03381	15.7
119.04894	1.3
121.02810	2.2
123.00771	13.8
124.01546	1.9
125.02327	27.9
126.02673	1.2
127.00267	1.3
131.03409	1.7
135.04443	1.0
136.98677	1.9
139.00285	4.4
139.03941	1.2
140.01083	4.3
141.01807	1.7
143.03397	4.4
145.02875	3.6
149.04457	1.7
151.00273	6.8
151.03906	2.0
153.01773	0.9
153.09161	1.7
157.12350	0.7
159.02893	1.1
161.02380	1.2
161.04466	6.5
163.03874	0.8
164.04510	0.8
164.75591	0.8
165.01897	0.8
165.05472	0.9
167.03362	2.2
168.00536	11.8
169.01332	44.4
170.01671	1.6
179.03391	1.0
179.03944	0.9
179.05537	8.9
211.02414	55.6
212.02815	2.3
229.18007	4.9
241.03510	2.2
258.05399	2.0
261.20630	0.7
271.04562	72.0
272.04852	4.0
294.90060	0.8
300.06110	0.8
316.05710	1.2
331.06656	4.2
341.27087	0.7
359.27994	15.2
360.28296	0.8
386.06497	0.9
391.23007	1.3
403.64716	0.9
406.00888	0.7
406.05438	4.5
503.11844	7.0
504.11832	1.0
521.20239	100.0
521.32697	30.8
522.20612	13.9
522.33777	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
55.65079	0.7
57.03325	1.4
58.00471	4.2
59.01248	100.0
69.27222	9.6
71.01252	57.5
72.01590	1.3
72.99181	4.7
73.02805	2.3
83.01250	2.7
85.02821	11.4
87.00740	3.2
89.02314	68.7
95.01257	4.4
101.02319	32.1
108.02077	1.8
109.02844	2.5
113.02319	20.6
119.03382	28.1
120.35055	0.9
121.02826	2.2
122.03598	2.3
123.04393	2.0
131.03383	3.2
134.03639	1.6
135.04398	1.2
143.03430	4.9
149.04448	2.2
159.04417	3.2
160.05208	6.8
161.04456	4.2
161.05850	2.0
163.03882	1.3
171.04480	0.8
172.05193	3.9
173.06017	4.3
175.07535	3.3
176.92441	0.8
179.05536	9.6
187.07574	1.6
189.05464	7.0
190.06273	7.6
203.07172	0.9
205.08624	5.6
208.65788	0.8
241.62941	0.9
253.08344	1.0
265.08716	0.8
281.08142	3.0
295.09628	1.5
296.10443	3.9
311.09595	1.5
311.12683	5.2
326.11676	1.4
329.13849	2.9
341.13937	15.9
342.14349	1.7
441.16687	0.9
521.20587	4.9
528.70593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03303	0.6
59.01257	3.9
67.01767	0.5
71.01253	5.3
71.05306	0.4
71.58424	0.7
72.99165	0.6
73.02804	1.4
85.02809	2.0
89.02319	2.1
99.00766	1.0
101.02312	3.3
109.02852	1.1
113.02328	1.5
121.02841	4.0
122.03635	1.7
123.00777	1.3
124.01521	0.8
125.02373	0.6
133.04956	0.5
136.05099	0.8
137.02365	1.0
137.05965	0.6
143.04976	1.0
147.04433	3.0
149.02351	1.7
150.03134	5.4
152.03421	1.8
153.03763	1.4
158.03648	2.6
159.04420	9.8
160.05206	29.1
161.04491	0.8
161.05963	8.2
162.06306	0.6
163.03920	5.7
164.04700	5.4
165.05319	0.6
169.01347	0.7
173.06010	3.9
174.06732	0.6
175.07552	24.0
176.04709	0.6
176.07832	1.2
177.05502	6.1
178.06256	6.4
189.05617	0.6
191.07126	0.8
192.07834	0.7
193.08684	2.6
235.57623	0.5
241.04967	1.1
255.06636	1.1
313.10934	0.8
314.11447	1.0
329.13928	100.0
330.14310	9.4
344.12579	3.2
347.76883	0.5
359.15005	11.5
360.15353	0.8
521.20447	10.8
522.20667	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53518	0.7
59.01248	2.8
78.95775	37.1
96.35962	0.7
96.96824	0.9
97.06499	1.0
111.56818	0.7
113.09592	3.0
117.03338	1.1
119.04910	3.8
133.02855	3.7
134.03630	1.4
135.04398	5.4
137.02370	1.0
145.02872	7.2
152.99496	5.1
161.02356	13.1
163.03922	2.5
168.04234	8.1
177.12651	1.1
179.03441	4.1
179.14310	1.5
181.12315	0.9
195.13829	20.2
196.14120	1.2
209.11900	0.8
210.18900	0.7
224.06894	13.4
224.08952	1.4
225.07236	0.8
230.70944	0.7
242.07999	4.1
277.21701	19.7
278.22031	1.7
283.19141	0.9
285.20691	1.5
293.21036	1.2
295.22772	100.0
296.23074	8.8
340.36130	0.8
429.22812	6.2
447.23688	3.5
519.59271	0.9
520.30432	61.7
521.27124	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	521.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44865	0.5
59.01245	1.2
60.98880	1.1
60.99173	13.6
63.91562	0.5
69.98991	3.3
71.01260	0.8
72.99186	0.6
85.02768	0.5
88.98676	100.0
89.99000	1.2
93.03336	0.8
94.99025	0.5
99.00757	1.0
101.79964	0.7
123.00714	0.8
125.02309	0.8
137.02415	0.6
139.00273	0.6
141.01683	0.6
151.00269	2.0
169.01414	0.9
178.99765	0.9
205.65654	0.6
209.00737	0.7
211.02446	0.9
271.04681	0.6
284.03226	1.2
301.03461	0.9
371.38086	0.6
431.09735	1.2
503.12231	1.6
521.13501	1.2
521.20355	2.2
521.33331	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30526	5.2
59.01240	8.4
60.70168	6.2
65.00180	7.4
99.00742	15.9
108.87038	6.0
109.02811	18.5
110.79456	6.3
111.00740	12.4
121.38155	7.4
123.00750	17.4
125.02357	6.3
128.25414	5.9
133.02798	7.3
134.02359	9.2
136.01572	12.1
137.02351	12.7
138.01898	7.9
139.00255	13.5
141.01782	11.2
148.01538	20.7
149.02322	13.2
151.00255	23.1
151.03905	10.9
152.00961	6.5
153.01830	17.6
161.02307	8.2
162.01900	11.9
163.00227	18.1
164.01100	10.8
164.03423	11.2
165.01830	10.0
166.99750	35.7
168.00500	7.1
178.01271	9.4
178.99748	22.0
180.02940	15.5
186.01767	6.2
190.99789	9.2
192.00558	19.5
193.01366	47.6
194.99255	12.2
202.01385	18.5
203.03485	8.1
204.02954	9.7
206.00870	11.9
212.48824	6.8
214.01317	12.5
217.05064	6.5
220.02455	20.2
227.03558	5.9
230.00906	13.1
243.02997	12.3
246.00372	11.2
255.02908	10.0
259.02414	12.9
271.02475	20.9
272.03223	6.7
284.05847	7.2
285.03912	13.1
287.02014	18.3
301.03436	14.5
308.88882	6.3
310.03381	11.2
312.05145	9.4
315.01431	24.0
316.02176	23.7
329.03036	19.5
333.02588	15.3
338.03052	17.9
339.07156	25.2
343.06506	8.2
347.03958	8.3
355.03094	14.7
355.06805	17.7
356.04095	53.2
357.04199	7.3
357.08173	16.4
358.13638	7.8
371.06155	7.2
372.71710	7.4
373.04312	12.6
374.05045	20.5
384.09375	33.6
394.07761	22.2
410.07205	11.7
435.09091	9.2
462.07730	10.0
493.09387	31.4
502.10089	46.2
503.11172	9.0
520.10925	100.0
521.11102	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	520.304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.5
59.01245	2.4
71.57735	0.6
78.95771	8.2
108.05066	0.4
113.09603	2.7
133.02853	0.6
135.04440	1.0
151.65291	0.5
152.99503	1.5
161.02399	2.8
165.72852	0.5
168.04207	2.3
171.10242	0.7
177.12799	0.8
179.03413	1.1
179.14290	1.2
181.12274	0.7
195.13840	15.5
195.15543	0.9
196.14246	1.2
207.60098	0.4
214.94594	0.5
224.06882	1.6
233.22714	0.6
242.07935	3.9
275.20331	0.4
277.21692	13.5
278.22073	1.7
293.21201	0.8
295.22769	100.0
296.23126	9.7
326.71051	0.5
429.22766	1.1
520.30341	19.9
521.26996	2.4
521.30182	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	519.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01733	1.0
57.03300	1.2
58.00452	2.7
59.01247	100.0
60.01561	1.0
69.03313	1.1
71.01249	29.3
72.99187	5.3
73.02814	31.3
75.00732	1.1
83.01247	1.8
85.02815	12.9
85.99972	1.4
86.30360	0.8
87.00740	10.0
87.04374	3.6
89.02311	24.0
90.10163	0.8
99.00744	1.1
101.02316	55.9
103.03886	26.0
105.05438	0.7
113.02308	2.7
115.03895	5.8
119.03396	9.8
125.02322	3.7
127.03867	3.3
131.03407	9.2
143.02356	1.2
143.03397	12.4
145.04990	6.7
160.95236	0.9
163.06021	66.3
164.06386	2.0
205.07101	22.3
265.09341	2.5
337.89224	1.0
354.97708	0.9
471.76276	1.0
519.31549	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	520.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35318	1.1
55.01767	1.3
55.57568	1.1
58.00456	1.9
58.78380	1.0
59.01248	26.9
60.84945	0.9
63.02252	1.1
65.00184	2.5
65.99714	2.1
69.42178	9.4
71.01250	20.6
72.99156	1.5
73.02810	2.7
75.00719	1.0
83.01241	4.1
85.02827	7.1
87.00754	2.0
87.80555	0.9
89.02312	14.3
91.08424	1.0
95.01250	4.1
98.19799	2.3
99.00733	2.6
100.26006	1.0
101.02308	17.4
102.03418	1.0
107.01265	4.1
107.04893	1.0
108.02061	2.0
108.08090	1.3
109.02828	16.3
111.00743	2.4
113.02310	8.6
119.03412	5.1
121.02827	4.2
123.00768	4.3
123.04426	2.0
124.01567	2.2
125.02361	5.0
129.01849	1.0
133.02863	3.3
134.02338	3.7
135.00755	1.8
135.04404	1.5
137.02330	10.3
139.00227	2.8
139.03897	1.8
145.02835	1.9
147.00774	1.3
148.01567	14.6
149.02333	6.9
151.00256	12.5
151.03908	1.5
152.01038	4.8
152.07050	2.1
159.04385	4.9
160.03937	2.1
161.02339	2.6
161.04477	1.5
162.01852	11.9
163.00270	6.2
163.02599	2.7
163.03886	2.2
164.01006	2.8
164.03432	6.2
165.01842	2.6
166.99745	2.9
169.01347	2.8
171.04424	1.6
172.05144	1.4
173.05971	3.2
174.03094	1.4
175.00298	2.6
175.03940	1.7
176.00983	2.1
176.03401	2.5
177.01843	27.2
178.02325	1.8
178.99794	8.0
180.00336	1.1
183.04401	1.2
186.01884	5.9
187.02483	1.9
187.03972	1.7
189.01831	2.3
189.05437	2.4
190.01355	4.1
190.99847	1.7
191.02104	3.5
191.03596	2.0
191.07082	1.5
192.00569	1.8
193.01254	2.7
196.06161	1.5
199.03934	3.6
201.05539	1.4
202.01286	1.2
202.99788	4.4
203.01817	1.5
203.03543	2.1
204.02939	21.7
205.01488	2.0
205.03255	1.8
215.03389	3.2
217.05058	1.2
227.03439	4.7
229.04933	1.7
230.00836	9.5
231.03168	1.6
233.04408	1.8
240.04370	1.8
241.05023	7.0
242.02203	2.0
243.02914	6.2
245.04721	1.4
253.05026	1.9
254.04791	1.2
255.02921	4.4
255.06673	2.0
256.06378	1.3
259.02463	2.6
267.02811	2.2
269.04587	1.4
270.01572	1.8
271.02414	19.0
271.05048	1.7
272.03055	3.6
272.05765	1.4
273.03995	4.3
281.08136	1.2
282.03983	1.5
283.02368	1.8
284.03134	2.6
285.03943	4.3
287.01837	2.3
288.02722	2.6
294.04059	4.6
295.02380	1.2
295.09732	1.8
296.05554	1.9
297.03748	1.2
299.01913	25.0
299.09189	2.2
300.02444	7.2
301.03387	2.8
309.11334	1.4
310.03537	2.9
311.04691	1.3
311.08514	3.2
312.05356	1.8
313.03421	10.1
313.10919	5.3
314.03970	2.9
315.04657	1.5
316.02118	12.8
317.02945	16.8
318.03409	1.6
322.03534	10.5
323.04169	1.7
325.11075	1.4
326.11615	4.0
329.09528	2.0
329.26456	1.4
339.03821	14.1
340.00861	3.4
340.04529	25.6
341.05154	1.8
341.13864	3.8
342.02542	1.3
343.06830	2.1
343.11887	1.1
344.12610	19.6
355.06720	9.6
357.04797	10.0
358.05560	8.4
358.11118	2.8
359.14963	50.0
384.09363	25.5
385.10071	2.0
410.07312	17.6
411.07599	1.5
435.09314	2.5
453.10663	1.2
461.07147	2.1
462.08206	2.8
463.08841	2.1
477.10352	2.1
479.08374	10.9
480.08444	2.4
502.09836	26.2
503.10291	4.3
520.10944	82.4
521.11609	11.3
521.20142	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	517.2077
Annotation	NPC
Peak:m/z	Relative Intensity
54.47686	1.1
59.01251	73.4
60.01540	1.1
61.98697	1.9
67.90746	1.1
71.01254	13.4
71.21693	1.9
71.22046	2.7
72.99162	2.1
73.02785	3.5
74.23701	1.2
82.55211	1.1
83.27018	1.1
85.02791	3.8
87.00748	2.4
89.02283	2.9
101.02301	6.1
105.38983	1.1
113.02292	2.4
115.05401	1.4
117.03357	12.7
119.04858	5.1
121.02808	1.6
125.02292	2.4
131.04829	4.5
133.06393	3.2
145.02853	44.1
145.06439	2.0
147.04417	78.6
148.04684	4.5
161.04596	1.9
161.05978	31.4
162.06287	1.9
163.03938	5.7
163.11115	5.1
189.05478	5.8
207.10194	19.4
208.10376	1.2
239.03389	1.5
369.15472	17.7
370.02847	1.5
370.15674	1.6
371.03928	2.9
375.43204	1.2
385.00888	1.3
517.20349	100.0
518.20752	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	518.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34527	1.3
54.27403	1.6
63.13750	1.3
67.66051	1.2
69.93184	7.1
94.78600	1.3
98.20517	2.7
98.51934	1.5
107.01281	5.1
107.43532	1.6
123.00756	4.9
125.02335	28.8
139.00314	2.5
140.01059	1.7
151.00218	3.6
159.03145	12.5
160.03940	100.0
161.04292	5.2
168.00526	1.9
169.01326	41.4
170.01578	2.3
173.45395	1.4
313.05594	11.6
322.09387	5.3
379.21503	1.6
388.88046	1.7
474.10352	87.5
475.10608	9.1
518.09247	13.0
519.09265	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	518.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.1
61.98699	0.7
78.95776	12.2
84.31911	0.4
85.30064	0.5
86.56210	0.4
87.80573	0.4
98.19727	1.1
99.92487	0.6
101.98129	0.5
111.08061	0.5
152.99442	1.0
167.10678	0.6
168.04185	3.0
179.14349	1.1
195.13826	8.6
196.14516	0.6
198.79510	0.5
205.12262	1.0
211.13365	0.9
214.24216	0.6
222.89174	0.7
223.13336	8.6
224.06818	1.5
228.13556	1.0
242.08022	5.4
256.13120	2.0
265.21777	0.5
275.20139	4.9
289.18417	0.5
293.21216	100.0
294.21530	9.2
518.28815	23.2
519.29309	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	518.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	4.7
60.43834	0.8
61.98695	1.1
78.95774	44.3
96.36475	0.9
96.95879	0.9
96.96812	0.9
98.19725	1.5
99.92449	1.9
115.85173	0.7
145.67772	0.9
152.99467	6.1
167.10672	1.3
168.04222	7.5
179.14330	1.3
195.13832	11.1
205.12352	1.8
211.13451	0.8
223.13353	10.4
224.06889	15.1
224.13963	0.9
228.13849	1.0
242.07866	5.2
242.24731	0.8
256.13083	1.6
275.20123	3.7
283.24112	0.9
289.74393	0.8
293.21219	100.0
294.21680	7.0
347.45081	1.0
373.13123	0.9
389.12256	0.9
449.21780	1.1
518.28851	65.1
519.29181	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34771	2.1
59.01250	10.5
60.01687	1.9
65.00191	2.4
65.74406	2.5
68.60439	2.1
71.01254	11.3
71.58336	3.9
72.99168	4.5
76.72649	1.9
83.01247	7.1
85.02824	3.8
89.02314	7.0
93.03371	3.3
95.01246	3.1
96.95868	6.5
101.02332	5.3
107.01277	10.9
108.02030	4.4
109.02861	4.1
111.00750	4.1
111.40709	2.3
113.02309	2.6
119.03426	3.2
119.04911	33.1
121.02827	5.4
123.00763	10.4
125.02336	33.7
133.02844	5.5
134.03595	3.2
135.04410	4.6
137.02197	2.6
139.00212	4.8
145.02823	7.0
148.01636	2.3
149.02287	3.5
151.00261	22.4
153.01881	2.3
161.02304	11.5
161.04489	2.7
163.00252	4.4
163.03915	40.0
164.01048	3.2
166.99724	4.3
169.01329	44.7
177.01817	3.8
178.99794	11.9
179.03355	3.9
183.04335	2.8
187.03854	2.7
189.01880	3.1
199.03899	2.4
201.01828	3.8
202.02631	3.6
203.03487	2.5
211.02422	7.4
227.03467	3.4
229.01373	3.4
230.02005	4.7
235.02361	2.5
241.01286	3.7
242.02109	6.0
243.02875	11.5
245.00909	2.8
255.02888	20.8
255.05058	2.4
258.01630	5.4
271.02411	50.9
271.04996	5.6
272.03021	5.4
275.90311	2.5
283.04630	19.7
286.01181	7.1
287.02060	8.1
297.00323	6.1
299.01910	4.5
300.02744	86.9
301.03455	59.1
302.03793	5.1
314.00433	4.5
315.01486	20.6
323.50418	2.5
331.05310	2.4
446.78052	2.6
447.09326	100.0
448.09436	11.0
491.08014	5.3
519.07574	17.7
519.14130	4.4
519.31848	7.1
520.08514	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	517.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.4
59.01256	1.9
60.62236	0.4
69.23960	3.1
69.24365	0.9
71.01248	1.2
73.02818	0.4
75.39014	0.4
79.01757	1.5
85.02810	0.4
89.02313	0.5
93.03318	1.2
95.01237	0.4
98.20589	0.5
101.02321	0.9
117.03391	0.4
119.04913	98.7
120.05254	4.3
125.02401	0.4
125.05976	4.7
135.04422	0.6
137.02299	0.4
145.02866	1.6
149.02309	0.7
149.05998	6.5
150.03130	6.0
159.78850	0.3
160.01570	0.5
163.03889	1.4
164.04662	0.6
175.03905	0.6
177.01833	1.1
177.05481	4.6
178.02634	20.3
179.03139	1.4
186.32283	0.4
191.03423	0.4
192.04233	0.8
193.04990	26.6
194.05229	0.5
206.05746	0.8
207.06541	1.1
211.06067	2.7
224.03178	0.8
238.04791	2.2
271.41080	0.4
297.07678	0.7
298.08475	1.8
299.09204	0.5
309.85336	0.4
311.14893	0.4
313.10803	100.0
314.11142	9.5
337.09164	0.6
355.11871	0.5
412.32770	0.4
457.14642	0.4
457.20786	0.5
517.17181	1.1
517.30225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28697	2.0
57.03321	33.4
58.00465	3.0
59.01250	77.4
61.98701	3.5
69.23663	4.7
69.24075	18.0
71.01254	49.5
72.99190	2.7
73.02815	54.8
79.05399	2.5
81.03317	2.7
83.01246	16.5
85.02809	6.7
89.02310	25.8
91.05444	1.9
93.17983	1.9
97.06438	2.6
99.04404	20.6
101.02317	58.0
104.93211	1.9
106.84476	2.3
113.02338	17.7
113.05986	5.5
119.03382	11.2
123.04382	13.3
125.02318	11.2
127.05080	2.2
131.03432	4.9
141.05437	5.8
143.03358	2.8
147.08075	3.3
149.04384	3.5
161.04460	26.1
169.01318	2.1
175.55916	2.0
179.05467	7.6
209.08211	2.7
257.38165	2.0
263.07657	3.9
323.09747	4.6
371.13403	100.0
372.13638	9.9
377.53793	2.4
413.14502	66.6
414.14789	5.8
453.17651	13.8
515.17639	99.5
516.17792	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	515.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36679	0.3
59.01249	100.0
60.01599	0.8
61.98696	0.6
63.31144	0.4
69.03329	1.9
71.01254	4.5
71.04892	3.8
71.58521	0.5
72.99203	0.5
79.82215	0.4
85.02837	0.8
87.30057	0.3
89.02300	0.6
89.05961	0.7
93.25588	0.3
101.02285	0.6
113.02312	0.7
121.02846	4.1
125.02347	0.5
134.03673	0.8
145.02925	0.4
146.54836	0.4
149.09624	0.5
169.01349	0.5
177.09143	1.0
221.08110	13.4
222.08580	0.7
233.10385	0.5
237.07747	1.0
252.81361	0.4
271.02588	0.6
291.08878	1.2
299.02090	1.0
367.10919	0.5
370.27716	0.4
381.11917	7.1
382.12509	0.8
501.49539	0.4
514.48096	0.5
515.15686	0.5
515.24817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54460	0.8
55.01742	1.3
59.01237	3.9
65.63138	0.8
68.99693	6.3
71.01244	2.2
71.56316	1.1
71.56712	1.0
72.99175	12.4
73.02787	1.0
73.80081	0.8
75.00766	1.5
75.02457	1.3
81.03311	1.2
83.01234	1.4
85.00890	1.3
87.00758	1.1
90.62995	0.8
91.01762	1.0
93.03326	1.3
98.51826	0.9
99.00747	6.0
103.00253	1.1
107.04900	0.9
108.02042	1.2
109.02833	77.7
110.03162	3.0
112.98686	3.8
113.02308	0.9
119.04855	0.9
121.02824	9.2
122.03603	3.9
123.04401	44.3
124.04714	1.7
125.02312	0.9
134.03679	0.9
135.04399	3.5
145.01341	2.0
145.02849	6.9
147.04424	6.9
149.02301	1.2
151.03926	11.5
160.03932	1.2
161.02312	4.3
162.03104	1.4
163.03923	14.4
165.05513	4.5
171.00946	1.5
173.02319	6.0
175.02202	1.0
177.01784	6.7
179.03430	6.3
181.04979	41.1
182.05273	2.0
189.01825	10.5
191.03427	37.6
192.03734	3.1
207.02927	1.9
207.04736	1.8
209.04446	2.1
217.03110	1.1
231.09172	0.8
235.02290	2.2
235.04318	2.3
246.28438	1.0
253.03401	10.4
263.03351	1.1
263.05838	10.1
271.04550	1.2
279.03201	4.1
311.05594	1.0
339.05292	1.3
455.10138	1.2
485.07355	4.3
517.10065	100.0
518.10272	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	515.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58070	4.3
71.58459	5.9
82.95285	59.0
83.02372	36.1
93.03337	6.8
97.00319	20.6
99.00748	4.8
107.01280	5.6
109.60213	3.6
123.00766	3.8
125.02412	4.3
137.02277	3.8
146.04491	5.7
151.00320	20.9
161.03508	20.0
163.00352	4.4
169.01271	6.4
169.87779	4.5
178.99788	20.6
191.04533	13.8
199.05125	9.8
206.02133	19.4
207.02852	8.9
217.02556	23.6
227.03461	31.8
231.04008	6.8
255.02948	44.7
256.03677	5.6
257.04666	5.2
281.04474	5.6
283.02808	5.1
283.05969	6.7
284.03281	50.6
285.04019	53.0
302.35272	4.1
309.04074	21.5
310.03549	6.0
333.05167	9.3
351.06195	29.2
353.08765	14.6
369.13550	4.2
431.09851	100.0
432.09982	7.0
472.12210	5.6
497.11786	8.0
515.12793	22.3
516.11621	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	515.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08705	1.0
52.93890	0.9
56.34820	1.1
59.01238	9.3
61.98707	1.7
64.93562	1.0
65.00198	2.1
67.23595	1.0
71.01247	2.4
107.01288	2.5
109.02892	1.1
117.03310	1.7
121.02864	1.2
145.02835	4.1
151.00267	10.3
159.04405	6.8
163.03915	1.4
169.01210	1.4
178.99834	5.6
199.03905	5.3
215.03508	2.1
227.03461	3.6
229.64085	1.2
243.02959	6.3
255.03001	7.6
256.03519	1.5
256.05881	1.1
271.02466	50.3
272.02936	4.1
283.02701	1.6
285.04059	2.2
293.04456	1.7
299.01956	100.0
300.02679	35.5
301.03348	3.8
311.05188	1.0
311.09109	1.4
323.09244	6.8
339.04956	2.2
339.08707	3.7
353.06439	2.2
368.08994	38.4
369.09674	17.4
370.10229	1.5
446.08566	26.8
447.09085	2.9
515.15656	37.6
515.22626	2.1
516.16034	3.6
540.46448	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	1.1
59.01248	100.0
60.30220	1.0
61.98690	1.3
65.95796	0.9
66.73019	0.9
67.81178	1.0
71.01249	35.3
71.58285	1.7
71.58652	1.1
72.99164	5.0
73.02796	2.0
83.01254	3.5
85.02814	6.7
87.00735	3.2
89.02313	41.5
93.03319	1.1
95.01260	2.4
96.95899	2.0
97.02846	1.5
99.00740	1.6
100.89950	1.0
101.01690	1.7
101.02325	22.7
103.00289	1.0
107.01260	1.8
109.02856	1.8
111.00718	1.5
113.02332	17.2
119.03391	20.2
119.04906	2.7
123.00797	2.8
125.02343	9.3
129.30864	1.1
135.04388	2.2
137.02327	2.8
139.00291	2.2
143.03412	6.8
145.02815	2.6
149.04407	1.6
151.00273	1.8
151.03891	1.2
151.07533	6.7
152.08305	12.0
161.02328	2.0
161.04459	6.7
163.03972	1.9
168.00761	1.1
169.01334	7.5
177.01996	1.3
179.03328	1.6
179.05522	17.5
182.68698	1.0
189.01903	1.3
214.18745	1.1
234.65494	1.3
243.02922	1.2
265.07141	1.5
271.06158	3.1
273.18445	1.3
284.02893	1.2
285.03870	1.9
289.07077	2.0
298.24133	1.2
299.05518	3.7
301.16544	3.3
322.13504	1.2
328.05759	3.1
329.06558	3.2
361.18710	4.2
445.11462	1.9
453.24905	31.6
454.25256	4.2
475.12469	4.5
513.19781	16.1
514.13104	1.4
514.20148	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	513.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67725	0.1
54.80285	0.1
55.01760	0.4
57.03325	0.1
57.93783	0.1
58.00481	0.3
59.01250	6.0
69.03328	0.1
69.91508	0.2
69.91916	0.3
71.01253	4.6
72.94036	0.1
72.99186	0.3
73.02814	1.2
78.95787	0.1
81.03324	0.1
81.30819	0.1
83.01242	0.5
83.04885	0.1
85.02823	0.9
85.99987	0.1
86.03164	0.1
87.00745	0.6
87.88880	0.1
89.02314	3.7
91.03887	0.2
91.91591	0.1
95.01273	0.4
97.02811	0.1
97.06406	0.1
98.20426	0.1
99.00773	0.2
99.04378	0.1
101.02319	4.3
102.02686	0.1
103.03973	0.1
113.02333	2.2
115.03895	0.2
119.03381	1.1
125.02340	0.2
126.09203	0.1
126.81599	0.1
127.07542	0.2
131.03406	0.2
131.33887	0.1
133.04976	0.4
143.03435	0.5
149.04411	0.1
152.99500	0.2
157.04982	0.2
161.04460	1.6
179.05545	0.5
233.22673	0.4
235.08160	1.1
253.09256	15.4
254.09584	0.8
259.20609	0.3
275.20258	0.4
277.21707	100.0
278.22058	9.8
535.24628	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	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63874	0.1
54.06768	0.1
55.01760	0.3
57.03316	0.2
58.00449	0.3
59.01247	6.3
68.16216	0.1
69.03292	0.1
70.58617	0.1
70.58982	0.1
71.01249	5.1
72.99168	0.3
73.02817	1.1
75.06638	0.1
78.95734	0.1
83.01247	0.7
83.04881	0.2
85.02821	1.2
87.00735	0.7
89.02314	3.8
90.02638	0.1
91.03881	0.2
95.01253	0.4
97.02799	0.2
97.06479	0.1
99.00738	0.3
100.31400	0.1
101.02317	4.9
102.02625	0.1
103.03881	0.1
113.02328	2.4
114.02657	0.1
115.03905	0.1
119.03384	1.0
125.02306	0.2
127.07558	0.3
131.03387	0.2
133.04918	0.4
143.03389	0.5
145.04948	0.1
149.04440	0.1
152.99451	0.2
157.05005	0.1
161.03188	0.1
161.04463	1.8
179.05513	0.6
190.77739	0.1
205.19519	0.1
233.22656	0.2
235.08186	1.2
253.09247	16.6
254.09633	0.9
257.19031	0.1
259.20718	0.3
267.64883	0.1
275.20016	0.4
277.21698	100.0
278.22040	9.6
278.28409	0.1
333.00964	0.1
462.86435	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	513.2699
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
53.15210	0.5
55.01751	3.6
58.00465	2.0
59.01249	38.4
61.98698	2.1
69.03314	1.6
69.37454	3.6
69.37871	1.6
71.01252	54.3
71.18791	0.5
72.01565	0.7
72.99184	2.8
73.02818	20.3
75.00757	1.2
81.03331	0.7
83.01254	5.3
85.02821	18.9
87.00751	2.2
89.02316	40.2
95.01273	4.2
97.02830	2.6
99.00754	17.1
99.01222	0.4
99.04348	0.8
101.02321	36.1
102.02654	0.8
111.00755	1.0
113.02330	16.7
113.13923	0.6
115.03902	3.2
119.03386	5.9
125.02331	5.9
129.01852	0.6
131.03407	7.9
143.03383	3.7
149.04453	22.6
159.02904	2.5
160.01530	0.6
161.02315	0.8
161.04460	16.3
179.05501	2.0
191.05553	5.9
208.43802	0.6
219.17484	5.7
219.44804	0.5
221.06506	0.8
233.06613	4.5
251.07568	1.6
293.08752	4.7
381.22763	27.3
382.23169	2.3
453.25363	0.7
454.12686	0.9
513.27014	100.0
514.27362	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	513.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52266	1.0
52.12429	1.0
52.46512	0.8
59.01252	6.5
61.98687	1.8
71.01248	9.9
71.58319	1.3
73.02813	1.2
74.02341	5.0
75.00744	3.2
77.18288	0.8
85.02829	1.1
87.00749	5.9
89.02299	1.2
92.33691	0.8
99.00744	1.4
100.00270	1.6
109.03981	1.1
110.09599	1.0
111.00762	2.7
111.05521	2.7
113.99471	13.4
115.00255	100.0
115.71329	0.9
116.00626	2.0
121.06490	0.9
125.02295	1.4
125.03436	1.7
125.07083	3.9
127.00266	5.0
127.07545	2.1
136.07588	1.0
139.00281	6.7
141.99617	1.9
143.04478	1.7
150.09195	1.0
157.01306	4.1
169.06114	2.8
169.08537	1.5
174.01619	3.3
175.02400	15.4
179.11818	7.4
181.04901	1.2
193.04893	1.3
205.09694	0.9
220.09738	1.1
223.10779	9.5
225.07698	1.5
237.07706	5.7
239.08507	2.0
246.36839	1.2
251.13907	1.4
255.08798	5.8
257.09613	4.8
283.11298	1.4
285.03967	1.0
291.19177	1.1
295.13135	1.4
339.11990	8.4
409.17853	1.0
453.16983	39.8
454.17215	5.1
465.16754	3.2
477.17014	10.3
478.16986	1.2
513.19287	3.0
513.30481	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	513.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	58.8
71.01245	43.3
71.36832	7.6
72.99182	11.7
80.04911	5.5
85.02825	10.0
87.00762	10.8
89.02314	30.0
95.01267	5.4
96.95850	7.8
101.02296	27.8
103.00246	7.7
108.04465	4.0
109.02833	7.4
110.26110	3.2
111.00744	4.0
113.02324	16.0
119.03394	12.6
121.05216	12.9
122.06001	27.3
123.00804	5.5
123.04396	4.1
125.02330	7.8
132.04434	3.6
138.05492	7.3
148.03908	4.9
150.05461	9.1
166.04993	10.6
166.57361	3.7
181.05034	5.4
184.11224	6.2
188.07103	8.2
189.08093	5.2
202.12244	18.6
204.06595	13.1
213.06693	7.8
216.06616	10.0
217.07288	4.7
229.09911	9.5
231.11324	39.1
239.53384	4.7
243.11389	4.3
246.11285	16.9
252.01225	4.1
253.09875	10.8
270.10007	6.8
271.04626	5.2
271.10837	46.9
328.10410	3.8
346.11630	6.9
397.13864	9.0
426.17975	4.7
433.16071	5.1
451.17316	33.9
452.17172	6.1
469.18326	6.9
495.16034	11.9
513.17212	100.0
514.17590	16.8
539.38275	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41668	6.8
59.01242	41.0
68.45145	7.6
71.01266	25.4
71.57777	8.4
72.99168	16.7
82.18918	6.0
87.00764	6.9
89.02303	22.2
90.50185	5.8
92.34524	6.7
96.95898	35.9
101.02315	12.0
103.00254	28.4
109.02849	15.2
113.02264	14.9
122.05956	9.9
125.02332	11.0
137.38686	7.1
146.99254	17.8
162.30217	6.3
169.01466	10.5
231.11414	32.4
243.52989	7.3
246.11359	12.8
270.03772	26.9
271.04620	25.3
271.10837	32.9
289.70563	6.8
346.11081	7.6
397.13968	10.2
410.33438	6.8
451.17136	26.5
454.09860	53.7
484.32028	7.5
513.17273	100.0
514.11792	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	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01231	0.9
61.98693	0.7
63.49306	0.5
69.03312	0.5
71.01254	0.7
71.43748	0.4
93.80241	0.5
97.06508	0.7
97.87408	0.4
108.09338	0.5
108.74726	0.5
111.08024	1.7
121.85709	0.4
152.26146	0.5
165.12762	18.3
166.13129	0.8
183.13815	100.0
184.14149	5.2
209.11768	4.4
227.12823	18.1
228.13167	1.4
229.66719	0.5
236.60623	0.5
283.15439	1.6
301.16550	12.3
331.26645	0.5
335.70364	0.5
355.33691	0.5
389.80707	0.5
433.18253	0.5
449.29187	1.1
467.30212	1.3
493.28070	1.4
511.29071	28.8
512.22479	0.9
512.29309	4.9
531.00055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08554	0.5
57.26056	0.5
59.01233	1.7
61.98689	1.5
72.99204	0.7
80.02558	1.5
80.65506	0.6
81.03330	2.2
83.01247	0.7
83.04910	6.6
84.02040	0.8
86.62143	0.6
90.11836	0.6
93.03346	0.9
95.04906	1.7
107.04858	0.7
109.06469	1.1
111.04447	0.7
123.08047	1.2
125.09627	2.3
134.99440	0.7
135.08047	1.0
141.06581	0.6
149.09630	1.1
163.11177	4.7
165.05438	0.9
165.12698	2.8
171.10182	27.1
172.10571	0.7
181.12233	0.8
185.11755	1.5
191.10762	1.7
191.97842	0.6
199.86456	0.6
203.14311	1.0
209.11766	100.0
210.12100	5.7
221.11845	0.9
223.13364	1.6
227.12827	8.9
229.12262	0.9
231.13890	0.8
247.13382	6.9
265.14450	2.5
311.05612	1.3
321.16895	0.8
327.08832	1.7
373.24149	0.7
375.21631	0.7
375.25745	0.7
383.22684	0.9
401.23138	1.2
419.24515	1.0
431.24289	1.4
437.25662	1.1
449.25146	2.8
467.26010	0.7
473.14478	1.5
475.27106	2.3
493.27866	2.4
511.30048	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	511.2908
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.70591	0.5
55.73143	0.5
58.79627	0.5
59.01242	1.2
60.39723	0.5
71.01237	0.7
71.05967	0.8
71.06307	0.5
79.59873	0.4
80.02514	0.9
81.03323	1.7
83.01247	0.7
83.04895	5.5
84.02042	1.3
91.36887	0.4
93.03347	0.7
95.04906	1.1
95.45200	0.5
97.06457	0.7
102.08133	0.5
109.06502	0.7
111.04398	0.6
123.08006	0.7
124.54231	0.5
125.05946	0.7
125.09563	2.5
127.11124	0.5
135.08035	1.8
149.09688	0.8
163.11226	3.6
165.12750	2.3
171.10175	29.4
172.10518	1.3
177.12790	0.9
185.11740	1.8
191.10753	1.0
207.10220	0.6
209.11765	100.0
210.12129	6.3
221.11749	1.3
223.13220	0.7
227.12837	10.1
228.13084	0.6
231.13918	0.7
236.73776	0.5
247.13361	7.5
248.13731	0.6
249.14938	0.6
265.14349	2.7
321.17130	0.6
322.90292	0.5
356.07828	0.5
373.23859	0.5
375.21561	1.3
375.25629	1.1
401.23380	1.4
413.03528	0.7
419.24124	1.2
431.24512	0.8
437.25598	0.9
449.25308	2.6
474.64365	0.6
475.27127	3.3
493.28101	2.2
511.29886	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	511.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77972	0.8
55.01750	3.7
57.03319	3.9
59.01250	66.7
60.01588	0.8
61.98696	1.4
71.01251	41.3
71.57967	0.9
72.01574	0.8
72.99183	2.2
73.02438	1.3
73.02817	19.1
79.11795	0.9
83.01256	13.8
85.02821	24.1
85.99972	1.2
87.00755	1.7
89.02299	4.4
95.01240	2.4
97.02818	2.3
99.00748	6.6
101.02316	48.4
101.42176	0.8
102.02638	1.0
103.03897	2.0
111.43218	0.8
113.02331	14.8
119.03310	0.9
125.02319	2.5
125.77951	0.8
128.89742	0.8
129.01880	1.2
143.03342	1.2
146.68637	0.8
159.02884	2.3
161.04469	12.0
163.06013	1.2
171.10152	1.9
208.56871	0.9
209.11775	6.7
227.12839	1.2
247.08124	1.6
247.13371	1.1
305.19678	81.4
306.20056	6.4
316.44211	1.2
349.18796	1.1
449.70261	1.0
451.25443	100.0
452.25757	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	511.1607
Annotation	6'',6''-Dimethylpyraono[2'',3'':7,8]kaempferol 4'-methyl ether 3-rhamnoside
Peak:m/z	Relative Intensity
57.03316	1.1
59.01232	0.5
63.02276	2.1
65.00183	2.4
71.01240	0.9
71.57536	0.6
71.57899	0.5
72.99170	1.0
75.00739	0.5
83.01259	3.0
83.12147	0.4
95.01250	1.4
99.00776	0.5
105.14943	0.4
107.01262	4.1
121.26162	0.5
122.24551	0.5
124.01524	2.0
125.02332	6.0
137.02321	0.6
151.00273	14.9
152.01060	5.0
153.01768	1.3
164.00914	0.5
169.01303	3.3
174.03201	0.4
178.99780	7.6
192.00618	0.6
193.01341	1.1
197.05956	0.6
205.01414	0.6
209.09975	0.6
209.11726	3.3
211.13283	0.6
225.05611	0.6
227.12698	0.9
230.24336	0.6
265.05035	0.5
267.10291	0.5
281.04391	0.4
281.08081	0.6
293.04993	0.5
297.04321	0.7
303.90762	0.5
307.06137	0.7
309.03967	1.4
309.07428	0.7
322.04803	0.5
323.05481	0.9
335.05435	0.6
336.06332	0.6
337.07202	4.4
349.10721	0.7
361.10773	0.5
365.10367	2.9
366.11118	1.3
377.10306	0.7
389.10190	0.9
407.11505	0.8
482.12054	1.6
511.16055	100.0
512.16406	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	511.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.1
70.93752	3.7
71.01260	6.7
72.99194	2.4
73.02795	1.8
79.66138	1.3
80.18176	1.5
83.01234	1.5
85.02824	3.2
89.02304	1.5
95.01272	2.1
101.02306	2.9
107.01270	9.3
111.00768	3.2
113.02293	1.7
123.00770	15.3
125.02334	38.8
127.00248	1.6
137.02325	5.7
138.34497	1.2
138.68289	1.5
139.00261	5.2
140.00996	4.8
141.01747	1.7
141.21236	1.3
142.86699	1.4
146.03535	1.5
151.00244	10.1
151.03915	2.1
154.99799	1.2
162.28708	1.4
163.03954	2.9
165.05447	2.2
166.99844	2.0
168.00565	7.4
169.01326	55.9
170.01640	2.7
182.05750	34.5
183.02869	2.1
183.06299	2.8
197.08115	28.6
211.02382	9.0
269.86188	1.5
271.04544	7.2
297.06476	1.5
313.05637	20.6
359.13400	2.0
451.21884	1.6
479.12335	6.6
480.12045	2.0
511.14520	100.0
512.15210	11.4
533.80786	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	511.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65495	25.0
62.36253	22.7
63.95826	24.6
70.14896	100.0
79.40784	25.9
187.55615	30.3
249.69754	25.2
254.25713	27.5
269.30869	26.1
437.32458	28.4
529.99200	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38824	0.9
56.05740	0.7
59.01241	3.1
61.98692	2.9
71.01262	2.0
71.12762	1.3
71.13081	1.3
72.99191	1.5
75.00758	0.9
79.01769	1.2
83.94148	0.7
101.02325	1.0
109.02831	1.5
119.04901	50.9
120.05254	1.4
125.02304	3.1
125.05961	2.3
133.02841	0.9
135.04388	1.6
139.00290	1.4
145.02794	2.1
149.05995	3.4
150.03125	2.4
151.00275	2.9
161.02319	1.6
163.03899	1.1
169.01331	2.9
178.02618	11.5
178.99818	1.0
193.04990	19.6
211.05986	1.9
212.04753	0.8
285.03964	2.0
286.04364	4.5
293.65085	0.9
298.08502	1.3
301.03244	2.3
313.10791	100.0
314.11111	8.5
448.09628	6.7
449.09924	1.0
475.15891	3.8
511.18436	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	510.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	4.6
60.01572	0.4
61.01672	0.7
61.98699	100.0
69.83752	0.2
70.75791	0.5
70.76154	0.3
71.01251	1.5
72.69997	0.2
72.99182	0.4
73.01686	0.2
73.02817	0.8
74.28474	0.2
77.32009	0.2
78.95786	0.3
80.96397	0.3
81.77944	0.2
85.02821	0.9
87.04397	0.6
89.02305	0.4
99.00807	0.2
101.02319	1.3
102.02665	0.3
103.00258	0.4
103.02690	0.3
113.02360	0.7
118.09763	0.2
121.85771	0.3
125.02332	0.2
137.02380	0.2
148.55249	0.2
159.02808	0.3
161.04469	0.7
165.05458	0.2
169.01381	0.4
172.08243	0.3
209.11856	0.6
271.02725	0.3
300.02902	0.5
301.03400	0.4
305.19766	0.4
324.06793	0.3
333.03485	0.2
447.09427	0.6
448.26477	0.6
449.26590	0.6
450.26904	2.7
451.25317	1.4
511.18054	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91554	0.7
61.98698	12.7
63.02263	0.7
65.00191	1.1
71.57067	0.9
71.57497	0.8
87.91962	0.7
99.00704	0.7
107.01267	2.4
108.02077	0.8
109.02825	2.1
121.02818	2.9
123.00786	1.1
125.02299	1.0
139.00172	0.7
139.03850	0.7
141.87973	0.7
148.01563	1.9
149.02344	0.9
150.34024	0.6
151.00252	13.5
152.00734	0.9
163.00325	3.6
165.01831	0.8
169.01312	1.4
175.03767	0.9
178.99800	6.5
185.70985	0.6
193.01202	0.8
194.00850	2.5
194.99406	1.0
209.00722	0.7
211.04103	0.8
215.03461	0.8
226.02650	1.1
227.03534	0.8
229.04991	1.0
239.03644	0.7
243.02898	5.3
245.04478	1.4
254.02103	1.6
255.02927	18.3
255.05478	1.4
256.03299	1.8
271.02438	35.8
272.02914	3.4
273.04080	1.5
283.02484	2.0
299.34717	0.8
300.02713	72.9
301.03464	55.4
302.03763	3.6
320.02094	0.9
333.09052	0.9
347.27930	0.7
364.03488	1.2
365.04245	0.9
408.32642	0.7
447.09262	100.0
448.09634	11.0
511.09967	2.4
520.76544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05323	0.3
64.47469	0.2
71.05212	0.5
71.05557	0.5
72.46882	0.3
72.47332	0.3
78.95771	17.8
96.96832	1.0
132.19823	0.2
150.97899	0.6
152.99481	29.7
153.99857	0.6
171.00475	1.8
195.33292	0.3
202.37440	0.3
214.12148	0.2
227.03200	4.8
245.04250	0.9
281.24823	100.0
281.67587	0.3
282.25186	9.7
394.79871	0.4
417.24139	1.0
435.25113	0.3
438.08713	0.3
491.42526	0.3
501.36823	0.3
509.28793	51.0
510.29150	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	509.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51348	0.5
55.01726	0.5
57.03287	1.6
58.00433	0.6
59.01247	7.7
69.03313	1.0
69.54749	1.8
69.55164	1.6
71.01256	6.6
72.99130	1.9
73.02773	2.0
75.00721	1.2
79.01727	0.5
83.01250	2.1
85.02811	3.7
87.00701	0.7
89.02277	1.5
93.03310	0.7
95.01251	2.2
96.95855	0.7
97.02813	0.9
98.20547	0.5
99.00716	1.0
101.02320	5.1
103.93311	0.4
107.01266	4.7
107.04903	4.2
109.02792	0.5
109.99961	0.6
111.00731	3.4
113.02273	2.0
117.03269	0.5
119.03343	0.5
119.04865	1.3
121.02785	1.2
123.00767	6.7
123.04366	1.8
124.01543	2.9
125.02333	37.7
126.02676	2.4
127.00208	1.3
133.02812	0.6
134.03630	7.1
135.04416	11.7
136.98640	1.6
137.02284	1.4
138.02986	0.4
139.00267	3.9
139.03815	1.4
140.01065	4.1
141.01811	0.5
149.02301	2.0
150.03152	2.6
151.00258	3.5
151.03842	1.7
151.07512	0.5
153.01805	0.7
161.02286	1.4
162.03151	4.9
163.03940	3.1
165.01796	1.5
165.05449	5.0
166.06165	0.9
166.99756	1.3
167.03397	1.7
168.00548	14.9
169.01332	42.1
170.01718	2.4
171.01849	0.5
175.03830	0.8
177.01811	0.8
177.05466	2.5
181.01186	0.5
181.08591	0.6
183.02841	1.5
195.06573	3.8
211.02423	52.5
212.02742	2.4
215.61215	0.5
225.03943	0.8
237.37418	0.4
241.03526	1.8
271.04584	100.0
272.04962	5.8
289.07083	0.5
290.02512	0.5
299.12872	4.9
300.13260	0.8
311.60498	0.4
313.05615	3.5
315.06235	0.6
331.06671	15.3
331.10440	0.9
332.07056	0.6
343.14020	1.4
356.69696	0.5
461.18176	28.8
462.18396	2.6
491.11966	1.3
509.13074	26.2
509.20300	4.5
509.29666	1.8
510.13345	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	509.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88748	0.6
55.01767	1.0
55.85182	0.7
57.03338	0.8
58.00460	2.8
59.01247	100.0
60.01578	0.8
61.98708	1.5
69.03335	1.3
69.30818	5.4
69.31236	2.2
71.01251	33.2
72.01565	1.1
72.99180	5.8
73.02818	30.1
75.00760	1.4
83.01276	3.3
85.02821	14.8
85.99966	1.5
87.00740	9.0
87.04382	3.8
89.02316	29.8
95.01273	1.2
97.02813	1.6
99.00768	1.1
101.02319	54.7
102.02657	1.4
103.03880	21.0
103.52030	0.7
113.02328	4.3
115.03887	6.8
119.03391	14.8
123.00733	1.0
125.02326	4.7
127.03936	2.4
131.03387	11.6
134.02357	1.0
143.03410	15.2
145.04987	7.4
151.31462	0.7
157.03212	0.9
161.04529	1.7
163.06024	74.3
164.06406	2.7
169.01335	2.1
169.84798	1.0
170.01701	1.2
170.13727	1.1
179.05608	3.1
205.07095	29.3
206.07616	1.0
223.91724	0.8
254.04562	1.9
265.09189	6.3
271.07532	0.9
303.18329	0.9
449.23975	16.9
450.24506	1.9
509.15457	5.2
509.36414	2.0
522.23309	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24821	0.3
62.96261	0.3
70.94738	0.4
70.95070	0.7
73.15119	0.4
78.95774	18.8
115.87141	0.4
125.66877	0.3
152.99487	2.4
168.04218	2.9
178.25215	0.4
224.06879	9.1
225.07248	0.4
242.07922	2.4
283.26404	100.0
284.26743	10.0
284.29739	0.8
508.34042	27.1
509.22256	0.6
509.34473	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	509.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.4
65.00206	0.7
67.01760	1.0
69.03316	1.2
70.16622	0.6
71.01250	6.3
71.05627	1.2
71.05981	0.7
72.99192	0.8
73.02809	1.8
79.01775	0.7
80.55643	0.5
83.01259	1.2
85.02820	1.0
87.00783	0.7
89.02306	0.8
89.19669	0.5
95.01252	2.7
96.95920	0.6
97.02808	1.4
99.00790	0.6
101.02309	2.4
107.01269	10.0
108.02104	0.9
111.00792	1.0
113.02320	2.3
117.29723	0.6
119.04877	0.6
122.03612	2.0
123.00765	11.7
123.04388	1.4
124.01588	1.4
125.02329	66.2
126.02664	2.4
127.00203	1.0
129.22906	0.6
137.02341	1.0
137.75090	0.6
139.00269	3.8
140.01080	3.3
141.01872	1.6
150.03125	37.2
151.00267	9.8
151.03926	3.3
153.01906	0.8
161.04437	1.2
162.03111	9.0
163.03903	1.9
165.05484	28.1
166.05846	1.1
166.99796	1.1
167.03438	0.9
168.00539	3.9
169.01331	89.9
170.01680	3.6
177.05473	8.0
179.03445	0.8
180.04193	5.7
181.04912	2.0
183.02802	0.7
193.01369	0.8
195.06554	11.8
205.20824	0.6
211.02393	4.7
241.03516	2.5
255.05252	0.7
271.04572	4.1
287.39185	0.6
313.05621	69.6
314.05920	5.8
327.07333	1.2
416.23453	0.6
479.11914	8.9
480.12033	0.9
491.11908	100.0
492.12219	12.1
509.12936	47.4
509.29095	1.9
510.13071	5.3
515.37891	0.7
530.04010	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68227	0.4
58.00426	0.5
59.01250	7.3
61.98701	100.0
69.65630	1.6
69.66064	1.2
71.01247	3.9
72.99168	0.9
73.02825	2.2
78.95776	0.5
83.01218	0.4
85.02834	1.4
87.00767	0.9
87.17097	0.4
89.02310	2.6
90.02701	0.4
90.32738	0.4
101.02321	4.3
102.02643	0.5
103.03907	1.5
113.02334	0.7
115.03853	0.4
119.03384	1.2
119.04887	0.4
121.02888	0.6
125.02303	0.7
131.03419	0.9
142.76236	0.4
143.03442	0.9
145.02927	0.3
149.06047	0.5
161.04245	0.4
163.03960	0.5
163.06055	4.5
164.06337	0.8
164.14784	0.4
165.01866	0.5
165.05511	1.1
179.05527	0.5
192.70819	0.5
205.07162	1.9
241.05064	5.1
265.09305	0.4
269.04535	8.5
270.05096	1.1
298.04810	8.4
299.05524	7.1
300.05954	1.0
301.16678	0.7
331.25003	0.7
337.47513	0.4
342.99536	0.5
397.93781	0.4
445.11371	16.8
446.11649	1.8
447.22485	0.6
448.22430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99747	0.5
51.18903	0.5
56.63297	0.5
59.01245	4.6
59.57520	0.5
60.07141	0.5
61.98700	100.0
71.01252	1.7
71.58625	0.7
72.99187	2.0
83.01266	0.8
85.02842	0.9
89.02299	0.8
101.02306	1.3
107.04916	0.7
109.02839	0.5
111.00784	0.7
116.22506	0.5
117.03325	1.1
119.04909	1.6
121.02985	0.7
123.00777	1.5
123.04383	0.6
125.02308	3.5
125.43668	0.4
126.02746	0.7
127.00208	0.5
135.04456	0.6
139.03874	0.6
140.01030	0.8
145.02847	3.6
146.03181	0.5
147.04454	0.5
151.00278	0.8
151.03940	1.1
153.01775	0.8
161.04449	0.9
163.03954	1.6
163.46289	0.6
164.04736	0.8
165.01871	0.6
165.05481	4.7
169.01357	2.4
170.01724	0.6
177.58362	0.5
187.72165	0.6
193.05121	0.6
194.04509	1.2
227.03603	0.7
241.05017	6.4
243.06860	0.6
255.03026	0.8
269.04584	4.5
270.05069	0.6
289.07251	0.9
298.04807	10.2
299.05563	8.1
445.11401	19.9
446.11920	2.0
473.10825	0.5
507.15677	0.8
508.15741	4.6
508.22177	0.7
509.15601	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88305	0.4
55.01759	3.2
57.03316	3.3
58.00453	1.2
59.01249	28.6
61.98689	0.8
68.99644	0.4
69.03316	0.7
71.01249	45.8
71.21472	0.7
72.01587	1.0
72.99172	3.0
73.02816	13.2
75.00743	1.0
78.95785	0.6
83.01254	8.0
85.02819	22.7
85.46327	0.4
86.03109	0.5
87.00771	2.7
87.04401	0.6
89.02315	10.2
95.01241	3.1
97.02832	1.1
99.00751	5.4
101.02316	31.9
102.02640	0.8
102.22034	0.3
106.87462	0.4
111.00773	1.7
113.02323	16.6
113.09328	0.3
114.02633	0.6
119.03380	3.9
125.02293	1.2
129.01782	1.2
131.03380	0.7
135.04440	0.4
143.03378	1.8
149.04494	0.4
159.02885	3.8
161.04453	11.3
162.04857	0.5
179.05566	0.7
179.07069	0.4
190.58707	0.3
190.61195	0.3
205.03549	0.6
211.20641	0.6
239.20116	1.6
253.21524	0.9
267.37009	0.3
269.30328	0.3
283.22836	0.5
285.24213	0.6
299.25858	0.5
302.29758	0.4
311.22260	1.1
326.19434	0.4
329.26749	1.2
343.28543	1.4
345.30090	17.4
346.30457	1.9
410.18311	0.3
505.33643	0.4
507.35327	100.0
508.35699	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	4.6
55.15862	0.3
57.03323	5.4
58.00469	1.8
58.00698	0.3
59.01250	42.0
60.01596	0.6
68.99683	0.4
69.03326	0.9
69.34704	2.3
69.35117	0.7
71.01250	67.8
72.01585	1.0
72.99178	2.5
73.02816	18.5
74.03164	0.4
75.00735	1.3
81.03326	0.4
83.01257	10.5
84.02051	0.6
85.02819	30.6
85.06463	0.4
86.00010	0.4
86.03158	0.4
87.00752	3.4
87.04409	0.4
89.02314	17.1
92.94494	0.3
93.03345	0.6
95.01257	5.3
97.02827	1.4
98.20567	0.6
99.00754	9.2
101.02318	49.8
102.02649	1.2
111.00763	2.0
113.02326	26.6
114.02684	0.8
119.03391	6.5
120.48421	0.3
125.02354	1.8
129.01834	1.3
131.03407	0.6
135.04414	7.7
137.01399	0.3
137.02319	1.8
143.03386	2.7
143.10687	0.6
149.04498	0.5
159.02896	6.2
161.04459	26.7
162.04816	0.9
179.05556	1.8
179.32855	0.3
197.15428	1.0
205.03497	1.0
223.20659	0.6
299.25854	1.8
327.12119	0.4
345.30060	14.7
346.30338	1.7
507.35333	100.0
508.35672	14.0
521.16644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33067	0.3
55.75848	0.3
58.89645	0.2
59.01247	1.5
70.63571	0.3
71.01244	0.6
73.02827	0.4
79.61948	0.3
89.02338	0.4
91.03872	0.6
91.11964	0.3
117.03345	21.1
118.03668	0.5
119.04912	31.3
120.05242	1.0
121.02840	3.8
123.04385	1.0
133.02835	0.7
134.03624	0.5
145.02849	100.0
146.03183	4.5
162.03102	1.0
163.03914	22.0
164.04247	0.9
191.49278	0.3
209.11783	1.1
223.13373	1.3
225.58873	0.3
227.12978	0.4
269.21179	1.9
271.36234	0.3
287.22244	9.0
288.22656	0.9
316.26059	0.3
347.25995	0.7
415.24860	13.4
416.25192	1.7
433.25928	19.4
434.26086	2.3
455.29993	0.3
507.29599	69.2
508.29916	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	507.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	1.5
59.79819	0.2
71.01246	0.4
78.26424	0.2
89.02328	0.7
91.03873	1.2
93.03339	0.2
113.67946	0.2
117.03345	21.7
118.03691	0.6
119.04908	32.3
120.05244	1.3
121.02847	3.8
123.04392	1.2
133.02859	1.1
141.34680	0.2
145.02847	100.0
146.03191	4.2
153.53865	0.3
162.03140	1.1
163.03911	21.1
164.04263	0.7
182.52341	0.2
205.05446	0.3
209.11749	0.8
223.13368	0.6
237.07603	0.4
269.21265	1.6
287.22247	7.8
288.22568	0.5
346.45584	0.3
347.26089	0.6
401.48776	0.3
415.24857	13.9
416.25201	1.6
425.33014	0.2
433.25906	18.0
434.26208	2.3
452.43484	0.3
507.29587	65.7
508.29901	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	507.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29852	0.3
55.01756	4.6
57.03321	4.7
58.00462	1.0
59.01252	31.2
60.02024	0.3
61.21803	0.3
61.98691	0.4
69.03314	1.0
70.44852	0.3
71.01254	53.5
71.22658	0.7
72.01587	0.8
72.62223	0.4
72.99176	2.4
73.02821	17.0
75.00743	1.1
75.27647	0.3
81.03365	0.3
83.01259	9.0
84.01601	0.4
84.02043	0.3
85.02821	27.3
85.99975	0.7
86.03165	0.7
87.00750	2.9
89.02316	11.3
95.00704	0.4
95.01266	4.5
97.02807	1.7
99.00759	7.0
101.02322	41.5
102.02656	0.9
104.44037	0.3
111.00758	3.6
112.01479	0.3
113.02332	22.4
114.02625	0.5
119.03400	3.4
123.00755	0.5
125.02360	2.8
129.01845	1.9
131.03435	0.7
139.00291	0.3
141.01822	0.5
143.03424	2.0
143.10661	0.5
159.02908	6.5
160.03214	0.3
161.04466	21.0
162.04774	0.5
166.44878	0.3
169.01308	2.4
171.13780	0.5
179.05492	1.4
193.06483	0.6
193.08623	0.3
204.67882	0.3
205.03508	0.6
222.00417	0.3
225.07663	0.4
237.14919	0.6
254.32210	0.3
276.35074	0.3
283.22809	0.5
284.11087	0.3
299.25873	2.7
313.05612	0.8
345.30078	14.3
346.30429	1.5
406.42133	0.3
507.15659	2.3
507.35352	100.0
508.14893	0.6
508.35757	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	507.296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	1.8
71.01249	0.4
71.37994	0.5
72.99192	0.2
87.00706	0.2
89.02316	0.6
89.98827	0.2
91.03397	0.2
91.03864	1.0
113.99516	0.2
117.03347	21.4
118.03677	0.7
119.04915	30.7
120.05253	0.9
121.02849	3.6
123.04417	1.5
133.02843	0.8
134.03604	0.3
145.02853	100.0
146.03191	4.3
149.34229	0.2
151.47740	0.2
162.03157	1.0
163.03917	21.3
164.04256	0.8
167.53145	0.2
209.11760	0.3
223.13387	0.4
228.24753	0.2
232.21777	0.3
269.21179	1.5
287.22284	8.0
288.22769	0.5
347.25803	0.6
393.15979	0.3
415.24875	14.9
416.25244	2.1
433.25943	17.3
434.26367	2.4
507.29611	64.6
508.29932	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	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50705	0.3
59.01249	0.5
62.77750	0.4
70.43433	1.3
73.74320	0.3
78.68006	0.4
78.95773	22.1
82.26329	0.3
93.64212	0.3
96.96838	1.4
98.19906	0.4
106.72324	0.3
135.54448	0.4
152.99481	35.0
153.99818	0.5
171.00565	1.7
179.62346	0.3
227.03215	6.2
245.04295	1.4
247.96286	0.4
261.22226	0.6
279.23273	100.0
280.20694	0.7
280.23624	9.3
282.25269	0.9
362.51230	0.4
415.22516	0.6
507.27234	55.6
508.27661	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00231	0.5
59.01245	1.5
71.01224	0.5
85.48142	0.4
89.02320	0.6
91.03889	0.9
94.91631	0.5
98.20590	1.0
117.03346	19.8
119.04916	29.2
120.05251	1.4
121.02824	3.6
123.04401	0.8
124.16576	0.5
133.02870	1.0
134.03600	0.5
145.02852	100.0
146.03171	3.9
163.03914	21.3
164.04269	1.6
164.69788	0.5
206.81897	0.6
223.13326	0.8
255.02925	1.9
269.21234	1.6
283.02322	1.0
284.03329	2.6
287.22287	7.9
298.04861	3.9
299.05524	2.0
300.06149	0.5
347.26093	0.6
415.24878	15.3
416.25131	2.1
433.25864	17.6
434.26358	2.0
507.29602	64.5
508.29947	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	507.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34436	0.4
55.01747	0.7
57.03321	8.9
58.03654	0.5
59.01249	4.1
67.01765	0.9
69.03339	0.6
69.92033	0.4
71.01253	4.5
71.06930	1.1
72.99162	1.3
73.02822	0.6
75.00735	1.0
79.01765	1.4
81.03349	0.7
83.01247	0.9
85.02829	1.4
87.00761	0.4
89.02335	0.9
90.20718	0.4
93.02329	0.4
95.01257	2.4
95.58648	0.4
97.02832	1.7
101.02311	1.9
107.01268	7.5
109.02849	0.6
110.00009	0.8
111.00762	2.3
113.02323	1.7
119.04961	0.6
121.02837	3.8
123.00763	12.7
123.04356	0.6
124.01540	1.3
125.02333	49.4
126.02670	1.5
127.00244	1.0
135.04395	0.7
136.98740	1.0
137.02350	1.2
138.01863	0.7
138.02995	0.4
139.00258	4.4
139.03918	1.3
140.01033	3.4
141.01816	1.2
145.02882	0.6
151.00272	8.1
151.03955	0.8
153.01813	0.8
154.02065	0.4
154.99738	0.5
161.02330	0.7
161.69875	0.4
163.03918	1.0
165.01874	0.9
165.05438	0.4
166.99750	0.9
168.00539	3.3
169.01329	60.2
170.01630	2.2
178.06285	3.7
179.03432	0.8
179.07053	1.0
180.04181	0.4
183.02919	1.5
190.98354	0.4
193.08643	5.4
200.22610	0.5
211.02483	0.6
223.02367	0.6
241.03505	0.6
253.03339	0.6
300.06235	0.5
312.06491	0.6
313.05643	16.1
314.05942	0.6
315.08746	1.5
315.12286	0.9
327.08994	3.0
328.08817	0.5
331.06741	1.1
338.55252	0.5
345.09644	0.7
410.18869	0.5
507.15060	100.0
507.94666	0.5
508.04355	0.5
508.15366	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	507.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51485	1.1
57.03305	2.0
59.01244	12.4
67.01734	1.2
71.01241	6.3
71.05943	2.5
72.99163	2.0
73.02807	1.3
75.00743	2.4
85.02795	2.2
87.00772	2.0
89.02306	2.2
95.01245	3.3
96.95903	1.8
101.02319	2.1
102.44523	1.1
107.01254	9.0
109.02824	2.6
111.00761	1.6
113.02337	1.4
119.04895	1.6
121.02818	2.7
123.00754	7.7
123.04374	1.9
125.02325	72.1
126.02650	1.9
133.02853	2.2
134.03610	24.8
135.04410	5.6
136.30151	1.1
136.98685	1.4
137.02319	6.6
139.00244	4.5
139.03888	2.8
140.00996	2.1
145.45749	1.2
149.02272	1.5
149.05968	9.9
150.03090	3.2
151.00264	6.7
151.03903	4.0
161.02361	4.2
161.06099	1.2
165.01849	2.0
165.05493	2.3
166.99753	1.6
168.00516	4.3
169.01328	84.4
170.01683	1.4
178.02621	20.6
179.03346	3.8
193.01294	1.3
193.04976	27.8
195.06534	1.3
197.09605	9.3
211.02417	3.3
213.12701	4.1
241.03503	2.0
243.02939	1.9
249.58543	1.2
253.47479	1.2
257.11844	8.9
285.03787	1.6
289.07208	2.3
313.05634	45.0
314.05960	2.4
438.11453	1.1
463.16776	6.2
507.11368	100.0
508.11633	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59304	0.2
59.01220	0.2
62.95235	0.2
71.40834	0.2
77.13673	0.2
78.95771	9.6
85.46954	0.2
89.36400	0.2
96.96809	0.3
109.67514	0.2
129.56204	0.2
152.99481	7.0
168.04189	1.8
193.77565	0.2
207.15697	0.2
224.06848	0.9
227.03163	0.7
229.44736	0.3
242.07927	2.7
279.20004	0.3
279.23273	20.1
281.24826	100.0
282.25183	9.0
506.32556	7.6
507.27139	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	506.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99433	0.3
59.01223	0.6
61.35067	0.3
71.01227	0.6
71.29899	0.3
75.00721	0.5
78.95771	20.1
83.75888	0.2
85.02830	0.4
87.00746	0.3
113.02260	0.7
134.98404	0.4
152.99461	2.5
168.04214	3.4
224.06879	8.0
232.38287	0.3
242.07961	2.1
247.17786	0.3
255.23238	1.2
256.23587	1.6
281.24832	100.0
282.25195	8.9
282.27481	0.2
282.28406	0.3
424.80048	0.3
472.90051	0.3
506.32410	24.5
507.33011	3.8
511.85782	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.6
57.03318	4.4
58.00457	1.9
59.01252	24.8
65.82146	0.3
66.75820	0.4
68.74191	0.3
68.99678	0.7
69.03325	0.8
69.49774	2.3
69.50182	0.6
71.01253	42.8
71.04875	0.4
72.01604	0.5
72.42253	0.4
72.99186	2.0
73.02818	15.3
75.00775	1.0
79.64265	0.4
81.03259	0.4
83.01259	9.4
85.02822	25.3
85.99956	0.8
86.03142	0.5
87.00742	3.0
89.02314	6.9
93.03338	0.6
95.01243	4.0
97.02824	1.6
98.01942	0.3
98.19811	0.8
99.00758	6.5
101.02322	37.9
102.02657	0.6
111.00774	5.4
113.02327	17.1
114.02697	0.7
115.03796	0.4
119.03393	2.2
125.02333	1.1
129.01834	1.5
130.04303	0.3
131.03409	0.6
137.02336	0.8
139.85100	0.3
141.01840	0.8
143.03375	1.4
143.10678	5.1
159.02890	4.9
161.04463	13.0
161.05817	0.7
163.14810	0.6
179.05473	0.7
205.03398	0.6
211.16966	0.6
228.08400	0.4
283.05746	0.5
283.26535	0.4
284.06354	0.4
285.37823	0.4
297.24414	0.8
305.15936	0.8
313.27444	1.3
317.59348	0.4
341.10089	0.7
342.10165	0.6
343.11038	1.1
343.28519	12.2
344.28830	1.2
469.31577	0.5
475.32755	1.5
487.32712	0.9
503.32114	0.6
505.33817	100.0
506.34122	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	505.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	8.4
57.03319	14.3
58.00469	6.2
58.83229	0.6
58.92649	0.6
59.01248	41.0
69.03311	2.3
69.34828	1.4
69.35249	4.6
70.63177	0.6
70.84290	0.6
71.01249	100.0
71.04888	1.7
72.01575	0.9
72.99170	3.8
73.02814	30.8
74.03139	0.7
75.00748	2.1
83.01254	14.2
84.02087	0.7
85.02818	51.2
85.06451	3.8
86.03163	1.4
87.00732	3.9
87.04404	0.9
89.02306	19.5
95.01250	9.2
97.02822	2.1
99.00150	1.1
99.00749	13.1
100.86257	0.6
101.02316	70.3
102.02662	1.2
111.00780	1.2
113.02322	43.6
114.02693	1.0
119.03375	7.6
125.02336	2.6
127.13726	0.7
128.72482	0.6
129.01826	1.6
131.03387	1.6
143.03381	5.2
143.10666	10.7
149.04483	0.7
159.02905	10.0
161.04453	44.1
162.04785	1.6
169.15874	0.9
179.05482	3.2
205.03461	1.0
211.16977	5.6
213.18520	0.9
237.22163	2.0
239.20035	0.7
241.18059	1.7
283.26486	1.1
295.26367	1.8
297.24362	1.9
313.27530	6.1
325.27487	1.8
327.25369	0.7
343.28497	62.4
344.28857	5.9
505.33789	75.7
506.34045	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	505.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84069	1.0
57.03310	3.0
59.01250	21.0
67.01753	1.4
71.00884	1.8
71.01250	23.1
72.99178	6.6
73.02810	2.0
75.00737	20.6
78.95779	8.8
85.02335	1.9
85.02822	27.7
87.00743	8.0
89.02312	5.5
95.01267	5.8
99.00732	12.2
103.00253	3.5
113.02332	35.8
114.02649	1.0
115.00256	2.1
117.01823	3.1
129.01813	2.1
153.23836	1.1
153.65067	1.1
175.02388	4.4
181.83749	1.0
205.07065	2.7
223.08057	1.6
224.06827	2.1
249.06181	10.4
255.23265	93.5
256.23630	7.4
267.07260	8.3
281.24854	37.7
336.20886	1.0
487.29135	1.9
505.30167	100.0
506.31174	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	505.3016
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
57.03315	2.8
57.65778	0.9
57.95391	0.9
59.01251	10.9
60.45158	1.0
61.41058	1.0
68.99673	1.1
71.01248	11.0
71.28070	0.9
71.52553	1.7
71.52884	1.2
72.99176	6.2
73.02802	1.7
75.00743	16.1
85.02826	16.0
87.00750	7.0
89.02316	2.6
95.01247	3.7
99.00750	8.1
101.05968	2.3
103.00253	2.2
104.99245	0.9
113.02328	24.1
115.00265	1.1
117.01817	2.7
129.01924	1.0
160.83420	1.1
175.02351	4.0
205.06961	1.2
218.12648	1.0
231.05095	2.5
242.18007	1.0
249.06123	19.5
250.06477	1.2
255.23268	94.0
256.23535	6.6
267.07190	3.2
281.76071	1.0
305.27240	1.1
487.29016	3.2
505.30051	100.0
506.30377	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	505.2572
Annotation	Amoritin
Peak:m/z	Relative Intensity
52.99007	0.3
55.95015	0.3
58.03330	0.4
59.01236	1.7
71.07223	0.4
71.19961	0.8
78.95773	27.4
83.04872	0.4
96.96851	2.5
152.99486	40.7
153.99832	1.0
171.00597	2.1
182.31818	0.4
227.03206	7.0
245.04285	1.5
259.20779	0.7
277.21701	100.0
278.22049	9.1
279.23288	5.1
280.23636	7.7
281.24060	0.6
310.74908	0.4
337.41031	0.4
413.21170	1.2
484.98062	0.4
505.25708	64.8
506.26096	8.1
520.08838	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2807
Annotation	Mucronine A
Peak:m/z	Relative Intensity
53.63973	0.3
59.01253	2.1
60.50245	0.3
65.50221	0.2
71.01273	0.4
82.20747	0.3
89.02310	0.5
91.03881	0.7
117.03345	21.2
118.03584	0.4
119.04911	32.7
120.05246	1.0
121.02851	3.4
122.03180	0.3
123.04414	0.8
128.59949	0.3
133.02852	0.6
145.02849	100.0
146.03191	3.8
146.51128	0.3
162.03116	1.0
163.03909	22.5
164.04279	0.9
192.48691	0.2
192.94359	0.3
237.07652	0.3
267.19672	2.0
271.22861	0.3
279.96497	0.3
285.20718	7.6
286.21112	0.6
345.24579	0.3
364.17233	0.3
369.24094	0.4
382.45346	0.3
413.23291	13.7
414.23590	1.5
431.24341	15.5
432.24664	1.5
505.28055	63.3
506.28339	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.0
62.65401	0.3
65.83042	0.3
70.43734	0.2
71.01243	0.5
72.99162	0.3
74.61926	0.2
89.02308	0.5
91.03868	0.6
93.03327	0.4
117.03340	23.9
118.03704	0.7
119.04908	34.0
120.05269	1.1
120.93491	0.3
121.02836	4.4
123.04419	1.6
133.02850	0.9
134.03601	0.4
145.02844	100.0
146.03188	4.4
162.03061	1.0
163.03903	23.7
164.04262	1.0
220.16806	0.3
223.13350	0.5
237.07707	0.5
244.26968	0.3
267.19620	1.9
285.20697	8.5
286.20999	0.8
345.24237	0.4
387.89474	0.2
413.23297	14.2
414.23703	1.8
431.24326	17.1
432.24637	2.9
468.91428	0.3
505.28018	62.8
506.28333	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	505.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55774	0.9
52.57482	0.9
52.74265	0.8
57.03329	1.6
58.00459	4.4
59.01247	94.0
66.50890	1.0
69.71502	6.4
71.01247	22.8
71.01610	1.7
72.77422	1.1
72.99171	6.7
73.02808	15.6
83.01260	1.7
85.02814	20.0
87.00749	3.6
89.02310	22.7
93.03337	2.3
96.66822	1.0
99.00764	1.1
101.02317	22.0
103.03886	20.0
108.02045	4.2
109.02827	6.7
111.78471	1.2
119.03389	10.5
119.04939	2.1
121.02822	6.7
122.03604	4.3
123.00755	1.7
123.04382	8.0
125.02332	7.9
127.03900	2.0
134.03592	1.5
135.04404	1.8
137.02347	5.1
143.04906	1.5
145.02858	2.4
145.05008	2.0
147.04378	1.1
149.02303	1.7
151.00237	1.6
151.03845	2.0
153.05466	1.0
158.03568	2.2
159.04408	8.0
160.05209	16.6
161.02339	1.2
161.05975	4.6
163.03897	2.1
163.05992	8.5
165.01764	1.5
165.05473	1.5
171.04410	2.9
172.05193	11.3
173.05998	11.1
175.03891	2.3
175.07549	6.5
179.03436	1.2
185.06050	1.6
186.96666	1.0
187.03928	1.4
187.07484	5.4
189.05489	16.7
190.06277	21.9
191.06886	1.8
197.04572	1.3
200.04703	1.1
201.05394	1.0
202.06308	1.5
203.07121	1.5
204.07817	1.1
205.08627	20.3
217.08714	1.1
226.41534	1.1
227.03456	3.2
243.02911	4.8
253.08699	2.0
255.02936	11.7
256.03156	0.9
257.04330	1.6
264.07706	1.3
265.08890	1.3
271.02457	12.2
271.05716	1.4
272.03003	4.8
279.10397	1.2
281.08081	6.3
283.02423	2.0
289.07181	4.3
295.09750	3.1
296.10504	14.8
300.02686	13.8
301.03452	7.8
308.10526	1.7
310.08481	1.6
311.09412	1.9
311.12805	19.9
312.13080	1.3
326.11594	3.0
329.13831	2.9
341.13885	100.0
342.14059	7.9
505.09824	23.0
505.20703	18.1
505.27145	2.0
506.09851	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.208
Annotation	Aviculin
Peak:m/z	Relative Intensity
53.71975	0.5
54.56062	0.5
57.03307	0.8
58.00444	1.6
59.01252	24.1
65.00195	0.6
66.93054	0.5
69.03317	1.3
71.01250	6.7
72.99174	2.9
73.02809	2.9
80.71890	0.5
85.02829	4.8
87.00748	0.8
89.02315	4.3
91.01797	0.6
97.59743	0.5
101.02314	3.8
103.03893	2.6
108.02030	1.5
109.02824	8.0
119.03394	1.2
121.02854	1.0
123.04424	1.3
124.01466	0.7
125.02346	1.3
139.83769	0.5
144.05653	0.7
145.02826	1.0
146.42906	0.5
147.04420	0.7
151.00266	1.6
159.04425	3.6
161.05849	0.5
166.99783	0.8
169.01337	0.7
171.04474	0.7
172.05211	3.3
173.05972	4.7
178.99762	0.6
187.07639	3.7
189.05476	1.8
190.06218	0.7
191.07077	1.1
201.05528	0.8
202.06387	0.6
203.07028	1.0
205.08545	0.6
217.08699	0.7
225.05504	1.0
240.04179	0.9
241.05064	4.9
243.02791	0.6
253.04942	1.4
255.02901	1.5
255.06604	2.3
263.07120	1.4
267.06635	2.3
268.07278	1.3
269.08270	0.8
271.02457	1.8
279.06726	1.1
280.07312	1.4
281.08170	4.3
283.09698	1.5
295.09738	5.8
296.10428	2.2
298.08337	1.3
299.05872	0.8
299.09232	2.4
300.02719	2.2
301.03336	1.2
307.08478	0.8
311.09268	8.1
311.12646	0.7
312.09467	0.9
313.10803	8.2
314.11185	0.6
325.05264	0.7
325.10666	1.2
326.11563	6.4
327.12122	1.1
329.10168	1.9
341.13943	10.1
342.14355	0.7
343.11826	1.1
344.12601	14.1
345.13058	2.4
359.15018	24.6
360.15277	1.6
475.15796	1.0
479.08856	0.6
488.08740	1.2
490.18790	1.3
505.20779	100.0
506.09494	1.3
506.21014	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	505.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	1.0
63.02257	1.0
65.00193	1.6
69.70154	2.2
77.28674	0.3
83.01265	0.8
91.01756	0.5
93.03307	0.5
107.01273	2.6
107.01906	0.4
108.02039	1.8
109.02850	2.2
119.01261	0.7
121.02818	1.8
123.00805	0.5
124.01570	0.5
125.02346	0.5
135.00775	1.1
135.55901	0.3
148.01566	1.4
149.02309	0.6
151.00255	9.3
152.00520	0.4
153.01874	0.3
161.02357	0.8
163.00308	3.0
164.01044	1.0
167.04918	0.4
169.01332	1.0
174.03123	0.5
178.99789	5.5
187.03880	0.9
190.02628	0.4
193.01382	0.4
198.03242	0.7
199.03975	1.5
201.01788	0.5
201.05505	0.4
203.03482	0.6
211.03958	1.4
215.03415	1.2
216.04192	0.9
226.02678	3.9
227.03423	4.4
228.03964	0.6
229.04922	0.6
243.02962	18.1
244.03407	1.5
245.04568	0.8
254.02165	4.9
255.02960	25.3
256.03378	2.0
271.02466	82.6
272.02924	8.0
273.03976	0.9
283.02469	0.5
294.31097	0.4
299.01971	2.2
300.02728	100.0
301.03448	42.6
302.03833	2.5
329.14041	0.5
343.04651	1.0
393.60794	0.3
395.69812	0.4
400.09290	0.3
445.08179	0.4
463.08792	2.8
464.08826	0.4
481.76935	0.4
505.09857	85.3
506.10190	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28952	0.2
59.01253	0.8
70.14993	1.1
73.50857	0.3
78.95775	2.8
80.96209	0.5
92.09157	0.2
111.62175	0.2
113.77621	0.3
121.02844	100.0
122.03174	3.9
145.02850	1.0
168.04221	0.4
175.04028	0.3
180.05719	0.4
181.06497	3.2
185.08897	0.3
197.06006	2.6
207.04341	1.3
207.08011	0.3
223.04016	0.5
224.06834	0.4
225.05484	2.3
242.07959	0.5
244.08340	0.5
244.31230	0.3
244.56322	0.2
251.07039	0.3
257.09677	0.7
277.21722	11.4
277.70609	0.2
278.17496	0.3
278.22061	17.2
279.22354	19.8
280.22684	3.4
301.08652	0.8
313.03876	0.4
313.07196	5.6
314.07602	0.5
357.06183	0.9
383.07724	1.4
417.09787	10.2
418.10049	1.1
433.09534	0.4
461.12302	0.6
504.29919	2.2
505.11429	7.1
505.29263	1.1
506.11816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	0.6
71.04792	0.5
78.95772	7.3
96.96855	0.2
101.83623	0.2
103.68538	0.2
103.69218	0.2
104.17444	0.2
112.18088	0.2
124.35109	0.2
152.99501	2.0
164.81195	0.2
168.04225	1.6
173.03949	0.2
179.24498	0.2
191.85551	0.2
224.06825	0.9
242.07909	2.8
258.60983	0.2
261.22165	0.3
277.21735	4.0
279.23279	100.0
280.23624	9.0
504.30975	7.0
505.25665	2.5
505.31808	0.6
507.69266	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.7
57.30819	0.4
59.01247	3.5
63.02253	0.4
65.00188	1.2
71.01247	2.1
72.97446	0.4
72.99181	0.5
73.02819	2.2
83.01266	0.7
83.03821	0.5
85.02830	1.0
87.00739	0.5
92.08074	0.4
93.03328	1.4
95.01266	0.8
98.20577	0.7
99.00737	0.8
101.02307	0.5
107.01292	2.2
108.02058	1.7
109.02830	1.5
113.02326	1.8
117.03384	1.2
119.04905	1.0
121.02819	2.6
123.00782	0.5
123.04369	1.2
124.01585	1.0
125.02325	4.2
127.22622	0.4
130.66640	0.4
132.94667	0.4
133.89354	0.4
134.03618	0.6
135.00775	0.8
135.04404	0.7
136.01569	0.6
137.02332	2.4
137.65140	0.4
143.05006	0.6
145.02817	2.4
147.00824	0.5
147.04407	0.8
148.01495	2.1
149.02328	1.1
150.03108	1.5
151.00270	6.8
151.03975	1.0
152.00935	0.4
158.03596	1.0
159.04431	1.8
160.05185	6.4
160.18460	0.4
161.02373	1.0
161.05951	1.3
162.98996	0.6
163.00291	2.8
163.01431	0.4
163.03897	2.6
164.01099	1.0
164.04646	1.0
167.03360	0.5
169.01318	1.5
173.05997	0.9
175.03932	1.1
175.07552	5.6
177.05501	2.0
178.06313	1.6
178.99786	4.9
179.03384	1.3
180.00104	0.5
183.04517	0.6
187.03842	1.0
190.99731	0.7
192.00478	0.5
198.03162	0.6
199.03928	1.7
201.01958	0.6
203.03433	0.7
205.05113	0.7
209.04579	0.7
211.03938	0.8
216.04199	0.8
226.02679	3.4
227.03453	4.3
239.05507	0.7
243.02948	15.3
244.03598	0.9
245.04404	1.0
249.06131	1.4
254.02203	3.7
255.02956	27.0
255.16013	1.1
256.03293	3.0
271.02460	72.8
272.02887	6.8
273.04099	1.3
283.02408	1.2
299.01929	1.3
300.02719	100.0
301.03412	32.7
302.03778	2.5
329.09940	1.1
329.13910	20.1
330.14218	0.7
447.09491	0.7
463.08722	5.0
505.09860	65.7
505.22708	6.5
506.10141	7.1
506.22375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64872	0.2
59.01234	0.5
60.62193	0.2
62.30847	0.2
70.07352	0.5
70.07767	0.3
78.95774	23.2
96.96835	0.3
98.19881	0.3
122.98470	0.2
129.24310	0.2
134.98409	0.2
152.99490	2.9
156.82153	0.2
168.04221	3.9
224.06868	9.1
225.07132	0.4
242.07948	2.3
261.22275	0.5
279.23267	100.0
280.23615	9.9
280.26755	0.4
346.27594	0.2
504.30945	22.6
505.31262	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	504.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	5.1
63.02249	2.2
65.00194	2.6
69.23408	2.7
69.23836	2.7
71.01234	1.6
72.99190	0.5
73.02810	0.7
83.01253	2.5
85.02794	1.2
86.23203	0.5
87.00702	0.7
89.02307	0.7
93.03328	0.6
95.01278	0.6
101.02332	0.6
107.01263	6.7
108.02074	1.0
108.23081	0.5
109.02837	5.3
121.02840	5.1
123.04395	0.5
124.01498	0.6
125.02346	1.4
135.00748	1.2
137.02185	0.5
139.00237	0.6
139.03923	0.8
148.01547	1.4
149.02374	1.3
151.00276	24.4
152.00562	0.6
159.04385	1.0
161.02309	0.5
163.00325	4.3
169.01341	3.0
172.05229	0.8
173.05963	0.9
178.99779	12.1
180.00188	0.9
183.04454	0.7
187.03938	1.4
187.07623	0.9
190.99806	0.6
191.03369	1.7
192.00670	0.5
193.01321	0.7
198.03075	0.7
199.03918	0.8
201.05457	1.2
203.03528	0.6
211.03909	1.8
215.03491	0.6
216.04152	0.5
226.02681	2.4
227.03394	3.7
228.04146	0.5
229.04984	1.9
239.03333	0.9
241.04913	1.3
243.02946	8.4
244.03444	0.5
245.04453	4.1
253.05101	0.6
254.02203	2.5
255.02948	10.8
255.06075	0.5
255.06606	0.5
256.03598	1.1
257.04187	0.5
271.02457	33.5
272.02921	4.4
273.04019	1.7
283.02396	3.4
295.09708	1.6
299.01901	1.3
300.02716	26.3
301.03503	100.0
302.03833	8.0
311.09305	1.4
313.10919	0.8
326.11600	0.9
341.13687	1.4
344.12689	3.0
358.05817	0.7
359.15070	3.9
504.11472	34.9
505.11484	5.9
505.20789	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	504.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	16.2
63.02264	1.8
64.01809	1.9
65.00195	7.9
65.00482	1.4
65.99717	6.5
71.01254	2.0
71.58496	2.2
72.99194	2.2
73.02808	2.5
73.17829	1.5
81.03333	2.5
83.01235	3.3
85.02809	2.5
89.02327	2.0
91.01773	2.3
93.03310	5.2
95.01265	6.3
95.02978	1.4
101.02328	2.1
105.03315	1.8
107.01293	9.0
108.02042	2.7
109.02828	35.6
109.99979	1.9
111.00723	2.6
119.01278	5.1
121.02843	11.4
122.02426	1.5
123.00741	8.8
123.04421	3.9
124.01562	5.8
125.02357	8.5
130.02898	2.8
133.02861	6.9
134.02374	13.6
135.00769	6.8
136.01535	2.4
137.02342	34.3
139.00238	4.8
139.03906	5.6
143.04907	1.6
146.02380	6.0
146.03549	1.9
147.00784	7.3
147.03242	2.2
147.04350	2.0
148.01559	89.4
149.02357	52.1
150.03084	5.8
151.00288	23.4
151.03745	2.1
152.00995	3.2
153.01833	3.8
158.02365	5.9
159.04402	2.2
160.01683	1.6
160.03969	2.0
161.02359	7.7
161.06033	2.0
162.01865	31.7
163.00291	22.0
163.02628	6.1
163.03909	4.2
163.64162	1.7
164.01146	3.4
164.03430	32.1
164.24533	1.5
165.01822	6.4
166.99760	3.6
167.03444	4.2
169.01349	3.0
171.04396	3.4
173.02322	2.6
174.03171	3.4
175.00331	14.2
175.03917	3.8
176.01079	6.4
176.03438	5.9
177.01849	100.0
178.02290	5.4
178.04948	2.4
178.99788	16.5
179.03424	3.2
180.00412	2.3
181.01306	7.4
183.04330	1.5
186.01892	26.4
187.02417	2.7
187.04022	4.2
189.01848	5.7
189.05446	2.4
190.01331	16.4
190.99716	1.7
191.02127	16.1
191.03531	3.7
192.00630	2.6
192.02742	2.4
193.01346	8.3
199.03979	7.9
201.01799	2.7
201.05595	2.3
202.01291	9.1
202.99799	31.6
203.02052	8.1
203.03745	2.4
204.00095	2.9
204.02948	72.9
205.01260	5.3
205.03326	4.3
206.02203	2.6
206.04625	1.7
206.99284	2.1
207.02811	3.3
208.02365	2.1
211.03876	2.3
212.03381	1.8
214.01279	8.6
215.03545	8.2
217.01433	1.8
217.05072	3.4
219.02986	2.0
221.00841	2.3
222.03999	8.5
226.02669	2.3
227.03461	9.5
230.00877	49.4
231.01505	6.8
233.04494	5.0
239.03421	2.4
241.04951	4.4
242.02106	4.3
243.03032	13.1
244.03146	2.0
245.04440	7.5
247.01190	6.9
248.01825	2.4
249.04047	1.7
254.04698	2.7
255.02904	7.5
256.03503	2.2
259.02548	2.7
260.02823	2.3
266.04666	2.1
267.03033	1.9
268.03073	1.7
269.04529	4.5
270.01724	3.8
271.02466	35.8
272.03125	10.6
272.05762	4.6
273.03970	11.6
282.04205	1.9
283.02371	3.4
284.03143	2.6
285.03970	8.8
286.03683	3.9
287.01990	5.9
288.02625	5.0
289.03241	2.5
294.04224	10.9
295.02350	2.7
295.08096	8.7
296.05615	3.9
297.04086	2.0
299.01974	27.9
300.02539	15.8
301.03247	3.7
310.03525	5.4
312.05191	2.0
313.03470	21.0
313.09213	2.9
314.03915	2.3
315.04446	1.7
316.02115	19.2
317.02972	44.1
318.03287	2.3
321.19131	2.0
322.03549	25.6
323.04086	4.3
324.05157	2.8
327.07193	14.8
339.03735	17.6
339.07297	20.5
340.00909	3.7
340.04526	62.5
341.04926	4.3
341.08884	6.2
357.04837	18.5
358.01633	2.7
358.05673	24.6
368.09857	67.7
369.10178	5.4
394.07767	98.2
395.08197	7.7
419.09805	6.2
437.10715	1.9
446.08450	4.2
459.09244	1.9
463.08789	22.9
464.09158	2.7
477.10358	1.8
486.10413	24.5
504.11505	95.8
505.11810	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	504.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04165	1.6
59.01243	6.0
65.00185	5.9
65.99697	4.4
68.36449	1.8
71.01246	2.7
71.22163	3.1
79.01759	2.0
83.01247	4.5
87.55325	1.8
93.03319	8.0
95.01261	7.3
96.00735	2.2
97.14140	1.8
99.00773	9.1
107.01261	6.1
107.83497	1.9
108.02065	1.9
109.02818	4.6
109.99964	6.2
111.00737	8.0
117.03362	2.8
121.02814	4.3
123.00765	13.9
124.01504	1.9
125.02337	10.2
125.03123	1.9
132.02052	4.5
133.02852	2.2
134.02338	12.6
134.03279	1.8
135.00784	4.8
136.98746	2.4
137.02339	9.7
137.99449	2.4
138.01802	3.4
139.00252	19.0
140.01047	2.3
144.04419	2.0
147.00751	2.1
148.01552	2.7
148.41183	1.9
149.02322	7.4
151.00262	19.2
152.01019	3.6
153.01833	42.6
154.02136	2.6
158.02399	2.4
161.02371	3.6
162.01865	19.5
163.00258	7.1
164.01070	2.2
164.03372	4.4
164.98276	2.5
165.01828	5.9
165.99066	12.4
166.99774	25.2
167.02017	4.6
169.01308	4.3
171.04424	4.5
172.03932	3.6
173.06107	2.9
174.01802	3.1
175.00221	2.8
175.03903	3.1
177.01884	9.9
178.01337	6.0
178.26672	1.9
178.99753	17.4
180.02931	28.5
181.01396	2.4
186.01929	2.9
187.03973	3.0
190.01413	2.2
192.00537	10.3
192.02594	2.3
193.01326	26.3
193.98521	3.7
194.99295	9.5
199.03938	4.0
201.05511	3.7
202.01335	11.1
202.99745	2.8
204.02982	6.0
206.00887	11.2
206.99277	2.4
207.01242	2.5
208.00142	2.2
209.00787	5.0
213.05362	2.5
215.03485	3.2
219.03040	2.2
220.02486	4.2
225.05606	2.6
227.03453	12.5
227.05600	2.6
229.05035	2.0
230.00851	3.2
231.02995	2.3
233.04517	2.5
239.03401	2.1
241.04950	3.9
243.02864	5.2
245.04665	2.4
254.04559	3.4
255.02924	15.3
256.03589	4.9
257.04523	2.8
268.03751	1.9
269.04495	8.0
270.04141	3.4
271.02429	19.1
272.02930	6.5
272.05688	2.2
273.04041	6.5
279.08679	3.5
283.02383	2.3
284.03198	8.6
285.04004	24.3
286.04062	2.0
289.03528	2.2
294.03967	5.9
295.02435	4.2
296.05753	3.3
299.01974	14.2
300.02496	11.5
301.03488	6.0
312.02228	3.0
312.05374	3.8
313.03415	17.4
316.02029	7.0
317.02914	22.7
322.03531	10.5
331.04556	3.9
339.03751	12.8
339.07269	5.5
340.00714	3.9
340.04565	49.9
341.04880	5.1
343.06628	4.0
355.06671	3.9
357.04672	25.5
357.08395	6.6
358.05502	19.5
368.09750	5.2
384.09259	6.3
394.07458	8.7
431.09692	14.0
445.07538	2.1
446.08557	2.9
459.09381	6.5
463.08789	9.0
477.10339	30.0
478.10217	2.5
486.10388	17.0
487.10602	2.4
504.11447	100.0
505.11676	12.0
515.10840	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	504.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.2
61.98706	8.3
69.32004	8.3
71.45338	0.7
79.70806	0.7
83.01257	1.8
95.01276	1.3
95.04895	1.1
97.02820	1.8
97.10589	0.8
97.76443	0.8
99.00811	1.0
109.02833	6.8
111.00729	1.0
121.02821	0.9
123.00763	2.5
123.04407	3.1
125.02333	51.3
126.02639	1.9
129.83356	0.8
133.42046	0.8
135.04398	1.0
137.02318	6.7
139.00233	0.9
139.03906	1.0
140.01065	1.7
145.02882	1.9
147.43054	0.7
149.02345	2.7
151.00304	1.9
151.03917	3.9
159.04439	1.4
161.05969	1.5
165.01865	1.9
166.99788	1.9
167.90215	0.8
168.00508	1.7
169.01335	100.0
170.01683	4.6
170.76094	0.9
177.01787	1.1
177.05505	0.8
179.03406	2.5
182.95667	0.7
185.06039	1.2
187.03864	1.4
193.01323	2.7
203.07057	3.2
205.04996	2.5
216.65880	0.9
227.07123	1.4
245.08119	6.8
249.37718	0.8
253.04921	0.9
271.02435	1.8
271.06116	4.9
288.23828	1.0
289.07162	36.5
290.07556	2.4
300.02658	2.7
301.03400	1.1
303.05090	1.6
311.29437	0.8
331.04480	1.5
343.11917	0.9
441.08224	29.8
442.08597	2.4
504.10797	1.0
505.10052	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.4
59.01233	1.6
70.06879	1.8
71.01258	0.9
72.99184	1.2
74.86490	0.4
79.01760	8.4
85.02831	0.9
89.30335	0.4
91.05399	1.7
93.03322	5.4
98.20468	0.5
101.02296	0.7
103.00257	0.6
107.04890	0.7
108.26397	0.3
111.04391	3.3
113.02314	0.5
119.04910	34.5
120.05243	1.4
123.00735	0.4
125.02327	1.0
135.04402	13.3
145.02806	1.3
151.03899	1.9
152.19092	0.4
153.05518	0.5
161.04518	0.7
161.05922	0.4
162.32362	0.4
163.03798	0.7
164.04703	0.9
165.05435	0.9
179.03413	29.2
180.03732	1.1
191.03476	0.6
192.04146	1.0
193.04980	3.3
197.04494	1.4
205.04955	4.0
221.04669	0.4
258.05341	0.9
271.33459	0.4
299.09219	100.0
300.09555	7.8
325.06958	0.9
341.10220	2.6
351.12115	0.5
406.05365	1.4
503.12018	1.7
503.31992	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1561
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
59.01255	3.8
62.04983	0.4
70.01614	0.9
70.02003	0.8
71.01259	4.0
72.99220	0.4
73.02834	0.7
79.01784	0.8
83.01278	0.6
85.02834	1.5
87.04414	0.4
89.02324	2.4
93.03346	1.0
95.01247	0.5
99.00775	0.7
101.02324	2.9
108.02074	0.5
113.02361	1.7
119.03418	0.9
119.04930	3.6
121.02843	0.7
123.04508	0.6
132.02048	0.8
135.04414	1.2
147.04425	0.5
153.05466	0.5
161.04469	1.3
163.03943	0.5
175.03867	0.6
178.02663	1.3
179.03448	2.6
179.04962	0.4
182.07278	0.5
191.03435	1.3
193.04982	2.6
196.05289	0.4
205.05098	0.6
205.08827	0.5
211.07585	1.3
225.05487	0.9
225.07523	0.5
226.06294	1.5
227.07135	1.7
238.06342	1.6
239.03462	1.2
239.07077	3.0
240.04262	0.9
241.08708	1.0
253.05151	3.2
253.08694	0.6
254.05823	4.4
255.06606	8.5
256.06882	0.8
267.06619	1.1
268.03824	1.1
268.07230	0.5
269.08185	12.0
270.08691	1.1
281.04559	2.3
282.05347	32.9
283.06100	55.3
284.06436	3.9
297.07675	37.9
298.08417	21.3
299.09189	7.3
310.04843	0.8
311.05637	8.7
312.05957	0.6
313.10797	3.1
325.07172	44.6
326.07904	27.5
327.08353	1.5
340.09506	21.3
341.10284	100.0
341.27002	1.7
342.10632	8.7
503.15564	34.3
503.31558	2.3
504.15604	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	503.1196
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
56.11249	1.0
59.01248	10.2
69.48562	7.4
71.01259	5.9
72.99181	12.0
73.02822	1.1
83.01212	0.8
85.02832	1.4
87.00739	0.8
89.02316	2.7
93.03336	1.0
95.01288	1.5
101.02322	2.7
103.00235	2.6
106.04134	1.0
107.04922	1.7
108.02007	1.0
109.02853	0.8
112.36489	1.0
113.02380	2.2
117.03321	1.4
117.38190	1.0
119.04906	1.7
120.99196	2.2
121.02850	1.2
123.00768	3.8
123.04398	1.5
123.32191	0.9
124.01517	1.0
125.02354	2.8
126.90662	0.9
131.05048	1.0
135.04408	1.5
136.01643	1.0
139.00276	2.7
140.01044	2.9
143.64221	1.0
145.02835	3.0
146.99229	2.2
147.04395	1.6
149.06009	1.2
151.00284	6.6
151.03856	5.6
163.03889	3.1
164.04659	2.6
165.01807	2.0
165.05460	1.3
167.96445	0.8
168.00659	1.0
174.03117	1.7
175.03824	1.2
177.01828	1.5
179.03279	1.0
192.04254	2.4
197.05971	2.0
225.05493	2.5
241.05025	73.0
242.05438	5.1
243.06514	1.2
254.04404	2.0
257.04593	1.1
258.05267	6.7
269.04544	97.6
270.05051	14.4
271.06100	1.3
286.17978	0.9
290.04477	2.0
298.04810	51.2
299.05518	20.0
300.06223	4.5
301.07175	1.2
314.04367	1.1
316.05875	3.3
341.06702	2.2
344.05481	1.1
356.10275	0.8
378.44223	0.8
386.64450	0.9
406.05399	16.3
407.05490	1.2
413.12256	2.2
427.10403	1.3
503.11914	100.0
503.32867	2.8
504.12219	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	502.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38478	0.1
59.01248	1.1
66.68169	0.1
71.01244	0.3
71.20071	0.2
71.20441	0.2
78.95773	7.1
83.04872	0.2
84.70903	0.1
97.06468	0.1
107.21197	0.1
127.07523	0.3
152.99501	0.6
168.04230	2.1
203.36412	0.1
224.06918	1.2
233.22690	0.4
242.07950	3.2
243.08362	0.1
248.75449	0.1
259.20670	0.4
275.07471	0.1
275.19958	0.3
277.21695	100.0
278.22052	7.9
322.46942	0.1
367.83679	0.1
502.29379	6.9
503.29871	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51888	0.2
59.01241	1.1
66.19357	0.2
68.57814	0.2
69.94566	0.5
69.94982	0.6
71.01279	0.2
78.95772	27.1
95.58931	0.2
96.96854	0.3
104.97292	0.2
122.98427	0.2
152.99483	2.9
158.74820	0.2
168.04205	4.3
194.05731	0.3
224.06865	11.7
225.07297	0.6
233.22618	0.4
239.69524	0.2
242.07928	2.4
248.53064	0.2
259.20590	0.4
275.20157	0.7
277.21698	100.0
278.22040	9.1
502.29404	24.9
503.29727	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	502.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	17.6
61.98703	3.3
65.00166	2.9
65.04988	2.5
65.99729	4.0
67.51859	2.5
68.25983	2.3
71.01247	17.8
71.06005	6.3
72.99180	19.6
77.03792	2.3
79.01762	5.9
85.02815	4.0
89.02310	10.6
90.47890	2.3
93.03346	6.5
97.02815	4.7
99.00738	3.4
101.02329	5.3
103.00227	7.0
107.04910	3.4
109.02850	6.0
111.00720	2.3
113.02325	3.5
117.03345	7.5
118.03680	3.1
119.03394	3.0
119.04874	5.9
120.05215	2.7
120.99162	4.8
121.02832	14.0
123.00747	5.9
123.04389	8.5
125.02328	9.1
132.02005	5.1
132.04430	9.3
134.02391	3.4
134.03596	6.9
135.04411	4.9
137.02306	10.0
139.03867	3.3
140.01057	7.0
145.02837	33.1
146.03223	12.3
146.99239	4.3
148.03900	4.4
149.02328	5.6
151.00246	8.2
151.03874	10.1
160.01515	11.6
160.03897	4.0
161.02213	3.6
163.03926	7.8
164.04643	5.0
165.01839	27.4
166.02567	2.8
172.03868	3.1
175.03908	12.5
176.03357	5.5
177.01768	3.8
178.04990	29.3
179.03348	3.9
179.05577	2.7
180.04195	9.6
183.02849	3.7
187.03934	4.0
191.03456	6.5
192.04118	6.1
193.01332	10.4
193.04991	7.4
195.06505	6.9
197.05887	3.0
199.03891	2.6
200.03490	3.2
204.02934	8.4
205.05003	3.2
207.02847	2.8
218.04466	4.2
225.05478	5.4
226.02728	3.8
227.07132	2.9
241.04964	19.0
243.06488	3.9
249.71791	2.5
253.05112	4.0
255.02853	2.6
255.06703	2.8
257.04547	4.3
258.05270	9.0
268.06174	5.4
269.04498	38.4
270.05045	8.0
271.06049	8.0
283.06091	14.2
284.05661	12.9
289.07007	12.0
290.07431	4.2
293.04547	8.0
297.04001	15.1
298.04712	27.8
299.05591	52.0
300.06424	4.4
307.08276	4.3
308.08521	3.2
311.05615	4.5
313.06140	5.4
314.04242	8.1
314.07239	4.0
315.05090	38.7
316.05664	10.2
320.05649	11.5
337.05905	14.4
338.06586	34.2
339.07159	3.2
355.06958	34.3
356.07706	31.7
378.43033	2.7
382.11502	3.0
405.83002	2.6
406.05362	29.3
408.09601	4.7
413.12152	4.1
445.11478	25.8
461.10785	10.2
484.12595	11.4
502.13553	100.0
503.12039	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	0.7
57.03324	0.8
58.00461	0.5
59.00985	0.7
59.01253	8.3
61.82284	0.4
61.98700	0.7
67.01769	0.5
68.99673	0.4
69.03325	0.7
70.15234	2.0
71.01253	7.8
72.99166	1.3
73.02818	1.8
78.95750	0.6
79.01755	1.4
79.63857	0.3
83.01247	1.7
85.02831	2.7
87.00751	1.3
89.02311	4.1
92.22351	0.4
92.46220	0.4
95.01250	3.0
97.02826	0.8
99.00746	0.9
101.02321	4.1
107.01275	5.1
109.02771	0.4
111.00747	2.0
113.02312	3.4
117.03342	1.4
119.02171	0.4
119.03395	1.5
119.04901	1.2
121.02834	0.9
123.00769	16.4
124.01550	1.0
125.02331	20.3
126.02679	0.6
127.00256	1.2
128.03482	0.5
135.04399	2.7
136.98706	1.6
137.02377	0.6
139.00264	4.3
140.01059	3.4
141.01854	3.0
141.09100	1.3
145.02847	6.8
149.04442	0.6
151.00256	9.7
151.03917	0.7
153.01868	0.5
156.42073	0.4
161.02370	0.5
161.04460	1.3
163.03905	1.2
165.01813	3.2
168.00581	4.6
169.01337	28.1
170.01666	0.8
175.03954	0.7
193.05000	0.8
211.02379	3.5
253.03479	0.8
271.04538	3.0
297.06256	0.7
301.07193	1.8
306.07523	0.7
313.05643	2.1
337.09164	0.9
339.02606	0.6
463.12323	0.9
501.19754	100.0
502.20065	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	501.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66298	0.4
55.01751	0.5
59.01244	7.8
59.97126	0.4
61.98688	0.8
65.00211	0.4
67.01756	1.1
69.03320	0.6
69.54411	3.0
69.54794	0.9
71.01244	6.5
72.99174	1.3
73.02812	1.1
79.01750	1.7
83.01242	1.1
85.02818	3.1
87.00739	1.7
89.02309	3.4
95.01263	2.2
96.95831	0.6
97.02820	1.2
99.00744	1.1
99.05511	0.6
99.88146	0.4
101.02327	3.9
103.60741	0.4
107.01265	5.8
109.02823	0.7
111.00746	2.6
113.02307	2.5
119.03385	1.2
119.04916	1.0
121.02880	0.5
123.00755	18.2
124.01566	1.1
125.02328	25.3
126.02720	0.7
127.00259	0.9
128.03415	1.1
135.04442	0.7
135.05469	0.4
136.98698	1.7
137.02440	0.5
137.12726	0.4
139.00264	4.7
140.01051	4.6
141.01860	3.0
141.09061	1.4
143.04489	1.4
145.02837	0.8
145.84254	0.4
151.00261	12.4
151.03893	1.0
153.01830	0.4
161.02353	0.5
163.03899	0.7
165.01822	0.7
168.00555	5.7
169.01326	33.2
170.01665	1.3
179.03304	0.8
193.01436	0.5
193.05069	0.6
204.62367	0.4
210.08751	0.4
211.02414	6.4
238.91051	0.4
251.79962	0.4
253.03462	0.6
254.07877	0.5
271.04562	5.5
272.04999	0.6
283.06357	0.5
288.06595	0.5
297.06107	0.6
299.09259	1.4
306.07626	2.8
313.05554	2.9
314.53683	0.4
338.06491	0.5
338.59247	0.5
356.07684	0.5
457.17239	0.8
501.19739	100.0
502.14270	0.8
502.20123	13.2
513.83417	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00478	3.9
59.01249	92.5
61.98698	3.6
68.35500	2.6
69.03319	8.5
71.01250	74.1
72.99165	8.3
73.02811	24.8
81.03326	5.1
83.01254	6.8
85.02808	28.5
87.00745	4.0
89.02308	43.1
89.95492	2.9
90.18979	3.0
95.01291	3.8
97.02827	12.1
99.00721	5.4
101.02316	48.6
103.03870	36.2
109.02810	6.4
113.02315	8.6
119.03387	18.0
125.02327	56.0
127.03863	5.5
131.03625	6.2
143.03416	3.7
145.04941	9.2
163.06018	47.7
169.01338	11.0
175.03830	5.8
205.07294	3.7
247.08203	9.5
307.10303	100.0
307.13892	4.8
308.10757	7.5
384.50848	4.2
404.99475	3.5
429.90729	3.3
437.80054	3.6
440.15417	10.2
440.21512	4.6
500.10892	3.3
500.18182	6.4
501.19638	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1054
Annotation	Difucol hexa-acetate
Peak:m/z	Relative Intensity
54.29867	1.0
57.84096	0.8
58.00460	9.7
59.01242	3.5
68.99678	2.2
71.01237	1.6
71.55862	1.2
72.99169	6.3
75.02436	0.9
79.25434	0.9
84.68014	0.9
85.00892	1.8
87.00741	2.0
93.03329	12.2
94.68656	1.1
103.00235	2.5
105.40446	1.0
107.04897	13.6
108.02054	1.6
108.05277	1.2
112.98690	8.1
115.01958	1.2
119.04911	7.9
121.02830	1.4
130.04155	1.1
131.04901	2.8
133.02808	1.3
135.04431	4.3
135.20021	0.9
137.05934	1.5
138.70819	0.8
143.01474	1.8
145.01282	2.4
147.04405	10.6
149.06003	9.6
163.03908	5.2
164.04236	0.9
165.05475	96.7
166.05803	6.2
171.00964	3.2
175.03899	3.7
179.03485	2.1
191.05138	2.4
193.04955	7.8
195.40855	0.9
209.04514	1.6
219.02844	1.3
219.04675	2.9
222.51379	0.9
227.17807	0.9
231.03165	1.9
232.59531	0.8
237.03998	2.0
252.18654	0.8
263.03326	1.5
263.05777	18.2
278.43164	0.7
281.04800	1.3
284.57541	1.0
295.06259	1.1
319.05896	0.9
323.05743	2.8
439.10587	2.8
469.07840	3.3
501.10590	100.0
502.10938	10.6
503.33844	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83310	0.9
53.52354	1.1
57.03315	13.4
59.01247	9.5
61.98696	3.7
64.08129	0.9
69.03327	1.4
71.01255	3.6
73.02792	1.0
74.02251	0.9
80.02559	1.3
80.46554	1.0
81.03334	5.1
83.01251	9.5
85.02823	1.2
89.95809	1.0
93.03336	4.6
95.04906	4.2
97.02837	4.1
101.02292	1.3
101.89185	0.9
108.02073	1.4
109.02837	28.0
111.00762	2.4
113.02362	1.2
121.02858	4.9
123.04408	13.3
125.02329	93.5
126.02663	2.8
133.02774	1.1
135.04480	2.4
137.02338	83.5
138.02666	1.5
139.03909	3.1
143.04893	1.2
145.02846	18.1
146.03612	2.5
149.02370	7.9
150.03105	3.3
151.03894	13.9
157.06500	1.1
159.04407	11.7
160.05202	1.2
161.02332	4.3
161.05972	10.2
163.03853	1.7
164.01062	2.9
165.01805	5.6
165.12781	9.5
167.03418	2.2
175.03902	3.0
175.07574	2.3
179.03432	4.6
183.04472	3.8
183.13834	39.2
184.05173	1.7
184.14085	1.9
185.06032	7.5
187.03889	10.0
188.04614	3.9
194.72542	1.1
199.07536	1.6
201.05534	5.5
202.06264	5.5
203.07059	19.2
205.04991	7.8
209.05971	2.3
209.11861	1.1
211.03882	2.5
219.17574	1.4
221.08136	1.5
225.05699	1.1
227.03455	1.5
227.07001	6.5
227.12849	52.5
228.13210	2.3
229.05113	3.6
230.02071	2.3
230.05794	1.3
245.08163	21.2
247.05887	1.5
253.04987	11.9
271.06104	38.7
272.06564	1.8
278.88895	1.2
287.05426	1.4
289.07166	100.0
290.07501	9.4
303.82443	1.1
319.06812	1.1
349.16602	9.7
350.16974	1.5
352.09552	2.3
353.10257	4.9
361.16483	5.5
369.20667	6.1
395.18594	3.0
411.21744	9.0
437.19672	8.2
438.19946	1.5
455.20667	20.5
456.21027	3.7
499.20203	12.7
499.27197	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	499.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14029	0.3
57.03325	0.5
59.01235	0.9
59.83107	0.3
66.08294	0.3
69.69487	2.0
71.01250	0.7
75.00745	0.7
78.95773	14.6
79.95593	1.9
87.00777	0.4
89.02292	0.3
89.86515	0.3
96.95883	100.0
96.96811	24.8
98.02348	6.7
98.95482	0.3
99.04386	0.4
101.02267	0.7
139.00273	0.3
145.02823	0.7
156.85112	0.3
161.04474	0.8
233.09312	0.3
242.10782	0.3
319.08554	0.3
319.49030	0.4
351.32626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95467	0.3
54.82740	0.3
59.01248	0.6
69.43235	2.0
69.43638	0.9
71.01237	0.7
75.00766	0.4
75.54265	0.4
78.95774	15.7
79.28712	0.3
79.95594	2.5
85.02811	0.5
87.00777	0.5
96.95885	100.0
96.96840	27.1
97.95843	0.6
98.02348	7.9
98.19679	0.4
100.27909	0.3
111.00754	0.4
111.09229	0.3
125.02336	0.7
145.02789	0.5
152.01050	0.4
293.73544	0.4
337.07489	1.9
424.64255	0.3
439.22101	0.4
499.15497	0.5
503.29663	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.4
59.01245	1.3
61.98701	100.0
63.61922	0.3
71.01271	0.9
71.58608	0.8
71.60941	0.4
72.99196	1.2
85.02805	0.5
101.02331	0.9
102.43256	0.4
103.00266	1.2
108.77907	0.4
109.02822	0.8
111.00901	0.4
119.04949	0.7
123.00762	0.6
123.04409	0.5
125.02332	2.9
135.04437	0.5
137.02354	1.5
145.02869	1.5
151.03922	0.6
161.02361	0.4
163.03957	1.3
169.01358	1.3
177.01904	0.6
179.03435	0.6
189.01932	0.5
202.06175	0.4
211.13490	0.4
215.94292	0.4
217.01424	0.7
230.35161	0.4
245.08450	0.4
271.06171	0.6
285.72736	0.4
289.07193	3.5
341.06564	0.7
435.10974	1.4
449.00146	0.4
480.15997	0.9
481.17334	1.4
498.17200	1.5
499.18649	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35991	0.8
55.01743	3.2
57.03312	3.4
58.00494	1.0
59.01251	55.0
69.03304	1.4
69.42133	8.0
71.01256	36.4
71.01652	2.1
72.99158	2.0
73.02818	18.5
78.60639	1.1
79.20155	0.8
81.27527	0.9
83.01254	13.3
85.02334	1.7
85.02818	19.3
85.99931	1.3
87.00741	1.7
89.02319	5.7
95.01261	2.2
96.98615	0.8
97.02850	2.0
99.00750	6.8
101.02322	43.5
102.02669	1.6
103.03893	1.1
109.02837	1.3
111.00789	1.2
113.02327	14.8
125.02320	8.4
129.01854	1.5
133.35280	0.9
137.02316	2.1
143.03465	0.9
145.02872	1.1
145.04961	1.0
159.02916	2.1
161.04468	13.5
163.06061	1.7
169.01340	1.0
247.08186	1.3
271.05783	1.6
289.07040	2.1
291.18130	79.4
292.18262	4.5
437.23898	100.0
438.24210	9.7
497.20236	3.6
497.27173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.4
57.01765	0.3
58.00476	0.5
59.01249	100.0
60.01595	1.0
61.98701	0.3
63.09959	0.3
63.99051	0.3
65.33009	0.3
69.62355	2.2
71.01253	8.3
71.01659	0.4
71.98034	0.3
72.99177	1.3
73.02827	1.1
83.01264	0.9
85.02808	2.3
87.00741	0.4
89.02316	10.1
90.83252	0.3
95.01263	0.8
101.02312	5.0
102.41470	0.3
103.00297	0.4
109.02846	0.9
110.94058	0.3
113.02326	4.8
119.03381	5.6
121.02854	0.7
127.12666	0.3
131.03391	0.4
143.03427	0.9
161.04498	1.2
179.03596	0.6
179.05571	3.2
187.78583	0.3
305.19870	0.7
332.07007	0.7
367.10223	0.8
415.23807	0.4
437.24719	4.4
438.25269	0.4
493.87204	0.4
513.45813	0.4
520.51746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1659
Annotation	Cypellocarpin A
Peak:m/z	Relative Intensity
57.44765	0.6
59.01251	8.2
61.98696	3.2
65.00191	0.8
67.01756	1.2
71.01244	6.7
72.99178	1.2
75.00742	0.7
79.01765	0.8
83.01260	1.4
85.02814	1.4
87.00755	0.7
89.02302	5.1
91.65482	0.5
93.74567	0.6
95.01270	1.5
98.19728	1.2
99.00735	0.8
99.04366	0.6
101.02311	5.1
101.63005	0.5
104.75709	0.6
107.01245	5.2
111.00762	2.9
113.02314	2.6
119.03388	2.1
121.10123	2.8
123.00758	9.4
124.01548	1.5
125.02331	25.4
125.36367	0.6
126.02670	0.9
127.00258	1.3
136.98674	1.2
137.02356	0.7
139.00276	3.7
139.03868	0.9
140.01050	3.2
141.01796	1.0
151.00261	5.5
151.03975	0.5
152.00758	0.4
153.01845	1.0
153.05438	0.7
153.76846	0.6
162.38951	0.6
163.03964	0.6
165.01814	0.9
165.09093	0.5
167.03380	1.1
168.00549	10.2
169.01326	37.1
170.01726	1.3
177.03938	1.3
179.05450	0.8
211.02403	40.4
212.02783	1.7
234.74309	0.5
241.03543	1.3
261.03949	0.6
271.04575	28.8
272.04944	1.9
313.05728	1.6
331.06543	1.5
340.31366	0.5
345.15439	5.9
453.17685	1.1
479.15506	2.0
479.21689	0.6
497.16608	100.0
498.16953	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	497.093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.28149	13.1
69.40961	100.0
69.41390	29.6
71.04873	13.5
96.47093	12.7
98.20613	22.6
107.99446	12.2
123.00739	14.1
125.02318	48.7
139.03926	75.1
169.01329	70.0
243.48180	12.9
252.15494	13.0
254.23433	11.6
273.79675	11.9
285.95432	13.7
286.14447	12.7
297.33112	13.5
313.05508	36.7
335.87085	13.4
376.52350	12.9
453.10397	19.6
479.08258	48.2
497.09210	67.9
498.09573	16.4
509.83124	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.7
69.03313	2.3
69.11476	1.1
71.01254	5.4
71.04523	1.9
71.04887	26.3
71.55790	1.5
72.99149	2.0
83.01234	2.3
95.01261	2.2
95.04881	3.7
97.02811	8.1
101.02335	2.5
107.01276	9.3
109.02795	3.2
111.00761	2.8
113.02303	1.6
121.02835	1.2
123.00781	14.8
123.04387	3.3
124.01559	1.3
125.02325	67.8
126.02692	3.0
137.02319	2.8
139.00249	6.5
139.03899	100.0
140.01048	2.8
140.04193	3.3
151.00269	9.1
151.03889	1.9
153.01776	1.4
156.82753	1.4
163.03856	3.5
164.00984	1.3
165.01843	14.7
166.99727	3.8
168.00540	5.1
168.32870	1.3
169.01323	99.2
170.01662	3.8
179.03378	1.1
179.54636	1.1
181.04990	2.8
183.02896	2.6
195.02956	1.1
211.02405	10.9
229.78528	1.2
241.03546	2.9
253.03539	2.0
271.04565	7.7
313.05618	35.1
314.05991	3.3
429.20038	1.1
453.10352	34.4
454.10428	3.1
479.08249	53.0
480.08606	6.0
497.09308	75.9
498.09680	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	497.1299
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
59.01250	1.3
65.00170	0.8
67.01749	1.5
69.03333	1.2
69.43989	5.4
69.44402	1.5
71.01256	3.8
72.99162	1.2
73.02824	0.8
75.00729	1.7
79.01736	1.1
83.01256	1.3
85.02817	1.1
87.00746	0.6
95.01246	2.2
97.02826	1.0
101.02344	1.4
106.69699	0.6
107.01264	7.8
109.99924	0.7
111.00757	3.6
113.02325	1.2
120.88039	0.7
123.00759	13.9
124.01520	2.2
125.02328	32.5
127.00243	2.3
136.98688	1.9
137.02283	1.1
137.99474	1.2
139.00249	7.7
139.03862	1.9
140.01070	6.2
141.01819	2.1
142.84686	0.7
149.02249	0.7
150.56641	0.7
151.00294	6.3
153.01828	18.6
154.02556	2.3
166.99725	1.2
168.00525	6.6
168.02844	1.3
168.04192	13.2
169.01324	40.7
170.01637	1.1
170.63199	0.7
183.02910	4.9
183.06468	1.7
211.02412	1.6
253.03659	1.4
297.06094	2.6
305.43143	0.7
313.05612	13.0
314.06107	1.0
327.07095	3.5
338.18860	0.9
497.12958	100.0
498.13361	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	495.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93946	0.6
55.01760	3.7
57.03314	2.9
59.01249	68.5
61.98410	0.9
61.98705	9.5
69.03330	1.9
69.29688	1.4
69.30098	6.8
69.60063	0.7
71.01252	47.3
72.05936	0.7
72.99177	6.0
73.02815	18.8
75.00721	2.5
81.03347	0.7
83.01250	13.6
85.02818	25.7
87.00752	2.4
88.32442	0.7
89.02316	7.0
93.03312	1.5
95.01250	3.2
97.02818	2.5
98.19806	1.4
99.00748	7.4
101.02319	46.7
102.02648	0.8
103.00237	2.6
103.03883	1.9
109.02876	1.8
111.00742	0.8
113.02326	20.2
119.03362	2.5
123.04414	1.0
125.02312	5.3
129.01901	1.0
135.04515	0.8
137.02290	2.1
139.00230	1.1
143.03401	2.4
145.02875	1.7
145.04887	0.9
146.99236	0.9
149.02359	1.0
151.00296	1.0
151.03877	1.0
153.01840	1.0
159.02873	3.0
161.02400	0.9
161.04463	16.9
163.04007	1.0
163.06061	1.5
169.01334	2.3
172.05193	0.8
179.03329	0.7
179.05568	0.8
181.04948	1.2
187.07632	1.0
200.55013	0.7
203.03413	0.7
203.06944	0.8
227.03424	0.9
229.07172	1.3
231.06596	0.9
247.08269	1.5
267.07083	0.9
268.07428	1.2
272.06482	0.8
283.09601	0.9
289.16568	77.2
290.16913	5.8
313.10712	1.0
435.22318	100.0
436.22699	11.9
477.13956	2.1
495.19485	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	496.0734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	4.8
61.98697	17.8
69.22328	2.2
69.48207	19.4
71.01238	5.9
73.79224	3.0
75.00733	8.0
90.86536	2.2
107.01257	4.3
109.02833	3.6
111.00699	3.7
119.04906	3.7
121.02816	2.7
123.00774	6.4
125.02362	7.5
137.02362	4.4
139.00299	5.3
147.57600	2.7
151.00269	13.3
152.01083	3.7
154.99741	4.1
161.02348	2.8
163.00241	5.2
165.01848	3.0
166.99786	2.8
169.01308	6.3
170.54282	2.5
178.99818	13.6
193.01190	3.4
194.00952	3.0
194.99330	3.5
209.00935	3.8
214.97795	2.9
227.03331	5.1
243.02960	11.4
245.04593	3.3
255.02972	23.2
271.02435	44.3
272.02905	4.9
287.01929	3.4
289.03516	4.0
299.01852	4.7
300.02713	94.9
300.06152	5.0
301.03412	25.7
302.04163	3.4
316.02170	5.3
317.02817	3.8
433.07724	100.0
433.58313	3.2
434.07913	11.3
434.13168	2.8
453.63895	2.6
463.08762	4.5
495.31564	8.1
496.08090	4.0
496.31866	3.1
497.08978	12.1
497.16470	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	495.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48914	1.2
57.03320	13.3
59.01250	10.4
61.98700	3.2
71.01260	3.0
71.58122	1.1
72.99197	2.0
73.02808	1.2
81.03334	5.0
83.01260	5.8
85.02849	1.2
87.00756	1.1
89.02304	1.6
93.03338	2.8
95.01193	1.8
95.04887	2.7
97.02820	6.3
101.02336	2.0
103.00247	3.8
108.02051	1.4
109.02834	21.0
111.00771	2.4
121.02840	4.1
122.03610	1.4
123.04396	15.1
125.02328	80.0
126.02608	2.6
135.04425	2.0
137.02330	33.5
138.02756	0.9
139.00267	1.3
139.03961	3.6
143.04950	1.3
145.02849	18.6
146.03593	3.7
146.99248	2.7
149.02350	10.8
149.06000	1.4
150.03140	1.5
151.03914	10.7
159.04433	9.2
161.02301	2.8
161.04597	1.7
161.05966	7.7
163.03880	2.9
164.01054	2.5
165.01819	5.1
167.03281	1.7
169.01410	1.4
174.03032	1.8
175.03955	1.9
179.03441	5.6
179.10658	5.7
183.04420	1.6
185.06070	5.1
187.03929	10.4
188.04675	4.4
199.07625	1.4
201.05513	4.0
202.06252	3.0
203.07062	20.7
204.07480	1.4
205.04968	5.5
209.06070	1.5
209.11728	1.6
211.03973	1.6
211.13358	1.6
212.04713	1.2
213.01846	1.1
215.90123	1.1
221.08177	3.2
221.86662	1.0
225.05423	1.3
227.07130	4.7
229.04973	1.1
230.02185	1.6
245.08148	16.5
246.08473	2.1
247.06155	1.5
253.05067	9.9
271.06119	40.1
272.06354	2.6
289.07172	100.0
290.07538	6.6
301.14545	3.0
345.13416	2.1
346.32874	1.0
357.13632	1.5
365.17688	1.4
407.18524	4.1
419.18018	1.5
451.17770	3.0
463.16928	1.4
495.17972	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1529
Annotation	Tetracentronside A
Peak:m/z	Relative Intensity
51.19737	0.4
52.54893	0.4
59.01244	1.5
65.00212	0.8
66.19164	0.4
67.01764	0.8
69.03336	0.6
71.01261	2.4
71.07407	0.8
72.99176	1.3
73.02808	0.8
75.00745	8.1
79.01767	0.5
83.01259	1.1
84.78358	0.4
85.02840	0.9
87.00780	0.8
89.02290	0.5
93.06666	0.4
95.01276	1.6
96.95883	0.5
97.02853	1.0
99.00729	0.6
101.02333	1.5
107.01269	5.2
109.02845	0.8
109.99970	0.6
111.00748	3.7
113.02307	1.3
121.02775	0.4
123.00757	8.4
123.04385	0.6
124.01608	0.7
125.02339	25.9
126.02679	1.5
127.00310	1.0
127.02792	0.8
133.02884	0.9
135.04453	1.2
136.05217	7.8
136.98689	1.7
137.02356	0.7
139.00258	4.6
139.03938	1.1
140.01071	4.1
141.01822	1.7
146.03677	0.4
149.02338	0.8
149.06038	0.5
150.06737	2.7
151.00270	6.7
151.03940	0.7
151.07576	2.5
153.01880	0.6
161.02344	3.3
161.04578	0.4
162.02716	1.3
162.06769	4.0
163.02834	0.8
163.04033	0.6
163.07547	3.1
165.01895	0.9
165.05453	1.3
166.06285	0.7
166.57378	0.4
166.99837	0.9
167.03377	0.5
168.00549	6.8
169.01331	40.6
170.01741	3.0
171.01776	2.1
177.01990	0.5
178.99741	0.6
179.03505	0.8
180.07813	7.5
181.05055	0.7
181.08661	4.8
211.02451	3.2
212.02806	1.0
213.02937	1.2
241.03609	0.5
244.06259	0.4
251.04619	0.4
253.03424	0.6
271.04666	2.5
272.04953	1.5
273.05072	3.6
287.02167	0.6
287.05612	0.4
297.06189	2.4
299.13602	0.5
313.05627	6.5
314.06079	1.6
315.01581	0.7
315.06024	1.5
333.06995	1.2
477.14209	0.6
495.15228	100.0
495.31064	9.8
496.15588	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	495.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.5
59.29716	0.8
61.98701	21.5
66.12635	0.8
67.01759	2.0
68.15181	0.8
69.03335	0.9
69.48244	7.2
69.94836	0.8
71.01244	5.1
72.99184	1.6
75.00739	8.6
79.01791	1.4
83.01270	2.1
83.92205	0.8
85.02863	2.9
89.02332	1.6
95.01286	4.0
97.02847	1.5
101.02340	1.4
107.01267	7.9
109.02827	1.0
109.99986	1.6
111.00754	8.9
113.02359	1.9
119.04988	1.6
121.02851	4.8
123.00771	17.5
123.04414	1.5
124.01571	1.1
125.02329	49.7
126.02767	1.1
135.04442	1.5
136.98709	2.5
137.02322	1.9
137.05972	2.2
139.00259	16.3
140.01065	4.3
141.01869	3.2
151.00267	10.9
151.03967	3.6
153.01901	1.1
155.79259	0.9
161.02441	1.0
163.04005	2.0
165.05501	2.0
166.06247	15.6
166.99763	31.0
167.07072	1.9
168.00534	5.7
169.01331	82.0
170.01729	3.1
179.03435	1.1
181.05022	4.9
181.08589	7.1
183.02911	2.3
185.00851	8.2
206.99254	0.9
211.02524	3.1
223.02507	0.9
241.03514	1.1
253.03618	1.0
271.04797	1.5
282.68182	0.9
297.06161	1.1
313.05649	21.3
314.06146	2.4
327.07407	1.7
354.83218	0.8
358.23978	0.9
477.10580	2.9
495.15372	100.0
496.15735	11.4
498.32278	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1142
Annotation	Cedrinoside
Peak:m/z	Relative Intensity
54.22489	1.0
56.80028	0.8
59.01242	2.4
67.01718	1.1
69.03320	1.9
69.49281	5.4
71.01258	4.5
74.80029	1.1
79.01750	0.9
83.01248	1.2
85.02807	1.4
87.00726	0.9
87.50986	0.8
93.03336	1.8
95.01270	2.5
97.02815	1.3
101.02305	2.2
107.01273	8.7
109.02838	1.4
111.00733	1.6
113.02321	1.5
119.04908	49.4
119.41496	0.9
120.05221	2.1
121.02839	32.0
122.03156	1.1
123.00761	13.7
123.04413	1.5
124.01572	1.9
125.02329	66.1
126.02688	2.4
127.00202	0.9
128.28320	0.8
133.02841	1.7
137.02280	1.4
139.00262	4.0
140.01030	2.8
141.01834	2.8
148.92432	0.8
149.02397	0.8
151.00294	11.4
151.03876	2.7
153.01828	1.4
163.03905	10.7
167.03317	1.0
168.00566	4.2
169.01331	100.0
170.01698	3.2
179.03325	1.0
181.04990	1.9
211.02409	3.1
216.32582	0.9
223.02277	1.1
239.58882	1.0
241.03505	3.3
253.03572	1.3
258.69763	0.9
271.04590	1.4
313.05634	53.9
314.06006	4.0
376.62018	0.8
433.11313	6.5
435.09290	21.3
436.09610	2.8
442.86929	1.0
477.10342	19.1
478.10724	1.5
495.11435	80.0
496.11710	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	495.0777
Annotation	Hibiscetin 3-glucoside
Peak:m/z	Relative Intensity
53.80296	1.1
59.01247	3.9
63.02280	2.2
65.00185	6.5
65.47757	1.3
68.99693	1.6
71.01225	3.3
72.99186	1.4
75.00723	7.4
76.47050	1.4
76.92064	1.3
83.01250	3.8
89.02303	1.9
93.03336	1.5
95.01229	6.2
96.99174	2.8
99.00726	1.8
101.02319	1.8
106.00470	1.9
107.01251	5.2
109.02827	9.5
111.00739	8.0
121.02843	1.6
123.00756	8.4
124.01579	1.8
124.98709	2.6
125.02310	6.1
133.02841	4.0
135.00752	1.9
136.80734	1.4
136.98660	2.6
137.02277	3.5
139.00273	10.2
141.01775	3.1
143.04916	2.6
145.02852	3.9
147.04376	2.4
148.01518	2.2
149.02342	4.8
149.99449	7.0
151.00278	19.8
152.01033	5.1
153.01804	5.3
154.99745	2.6
159.04411	5.9
161.02345	5.7
163.00238	3.8
163.03886	2.1
164.01114	2.6
164.98164	2.8
165.01826	2.2
165.05496	3.0
165.99007	3.3
166.99751	4.3
168.00539	3.1
169.01297	5.3
169.02985	2.3
171.04434	4.9
173.02344	2.7
174.03139	3.2
175.03949	10.1
176.00958	1.6
177.01833	3.6
177.98921	7.8
178.99776	32.3
180.00288	2.1
181.01326	1.9
181.98375	1.8
187.03909	12.8
189.01913	7.9
190.02669	2.6
191.03406	3.2
192.00491	1.6
193.01346	2.4
194.99275	5.0
197.00755	1.6
199.03952	6.2
201.01837	3.8
202.02589	2.4
203.03395	12.9
204.03891	2.3
204.97714	2.8
205.01340	2.5
205.04959	1.8
206.02197	1.5
206.99304	3.0
207.02979	2.2
209.00839	2.1
213.01869	3.6
214.02539	2.5
215.03468	9.4
216.04115	1.8
217.01389	3.8
217.04988	3.2
218.02118	1.7
219.02911	4.4
222.98724	2.1
227.03508	3.3
229.01389	5.2
230.02115	2.6
231.02914	9.5
232.03685	18.4
233.04477	9.7
242.02077	3.0
243.02934	17.1
245.00826	3.9
245.04575	4.5
246.01486	3.0
247.02386	4.2
257.00964	2.1
258.01718	6.1
259.02377	13.6
260.03162	3.0
261.03973	3.5
269.00833	3.3
270.01657	2.2
271.02457	38.7
272.02795	2.3
273.03967	2.0
286.01218	6.5
287.01965	48.1
288.02710	9.9
289.03494	7.4
297.00366	4.3
299.01944	25.5
300.02521	2.7
301.03412	1.6
303.01462	3.7
304.02274	3.1
314.00620	2.3
315.01443	100.0
316.01746	6.2
317.03189	2.4
332.01630	23.4
333.02475	16.5
337.78922	1.5
343.06689	2.1
355.06473	1.9
359.06207	4.6
395.09900	12.0
423.09351	2.1
451.08835	3.8
462.08102	6.4
467.08313	2.5
477.06555	9.1
494.30875	1.6
495.07758	69.9
495.31531	7.4
496.08102	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	495.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17303	1.8
57.03317	1.8
59.01244	8.8
62.84247	1.7
65.00191	7.7
67.01751	3.1
68.99690	2.3
71.01231	7.9
74.23878	1.7
75.00751	10.8
75.25129	2.1
79.01769	2.1
81.03333	2.8
83.01234	6.0
85.02811	2.1
89.02307	5.0
91.97591	1.9
93.03336	4.1
95.01250	6.4
97.02804	2.6
99.00758	3.8
101.02324	4.4
106.00513	2.6
107.01248	7.3
108.02107	2.6
109.02833	18.2
109.99970	3.7
111.00762	14.7
113.02269	3.5
120.99294	2.8
121.02781	3.2
121.80750	2.0
123.00767	17.7
123.04416	5.0
124.01469	2.6
124.98620	3.2
125.02348	23.1
126.99422	5.0
133.02855	4.9
135.00742	4.1
135.04379	4.1
136.98665	2.6
137.02322	8.7
137.99507	1.8
139.00241	17.2
139.03844	2.0
140.01013	3.0
141.01811	4.8
143.04887	5.5
145.02832	4.7
147.04364	5.9
149.02345	7.7
149.99500	7.4
151.00291	24.0
152.01003	6.5
153.01773	8.7
154.99728	3.3
159.04378	9.1
161.02313	9.0
163.00241	5.0
163.03900	3.6
164.00969	3.5
164.98175	3.4
165.01820	4.3
165.05458	8.5
165.99019	3.2
166.99808	9.3
168.00505	8.7
169.01367	22.4
171.04402	2.1
173.02353	4.3
175.03915	10.8
176.01041	1.9
177.01825	3.6
177.99016	7.4
178.99762	35.1
179.03343	2.9
180.00227	2.6
180.02835	2.2
181.01382	3.5
181.08614	2.1
181.98433	1.9
187.03941	14.8
189.01849	7.1
189.05438	2.7
190.02579	2.6
191.03418	4.3
192.00580	4.4
193.01266	4.8
194.99249	8.0
199.03914	6.0
201.01775	2.6
202.02646	3.9
203.03468	13.3
205.01369	4.4
205.05095	2.3
206.00819	4.1
206.99329	3.0
207.02831	3.7
209.00812	4.3
211.02385	6.8
214.02594	3.7
215.03404	13.9
217.01418	5.0
219.02902	3.9
222.98759	5.2
227.03487	4.2
229.01195	4.1
230.01973	4.3
231.02946	11.6
232.00157	2.0
232.03688	12.4
233.04454	12.2
241.01323	3.3
243.02959	22.5
244.03214	2.4
245.00745	4.8
245.04486	4.7
247.02377	4.6
257.00754	2.3
258.01694	4.5
259.02475	14.3
260.03107	4.2
261.04041	5.5
269.00974	3.6
271.02402	30.8
271.04721	2.4
272.05051	4.1
273.05011	7.1
275.01917	3.6
286.01230	5.1
287.01950	47.9
288.02762	12.4
289.03424	7.2
289.06900	3.1
297.00339	5.2
299.01950	23.3
300.02496	2.6
301.03421	2.8
303.01501	7.3
304.02026	2.1
305.02905	3.4
305.06451	2.6
314.00522	4.2
315.01456	100.0
316.01773	8.0
317.03073	2.2
332.01770	16.3
333.02466	12.7
343.06824	3.0
344.07565	2.9
355.06784	4.2
359.06064	5.5
371.71515	2.0
377.08994	2.2
395.09656	13.0
423.09348	4.1
449.06686	2.5
451.08981	3.5
451.82877	2.0
462.07990	5.1
467.08209	2.9
477.06754	8.2
495.07770	79.7
495.14584	5.2
495.31601	13.6
496.08255	9.6
496.14899	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	494.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53444	0.2
61.98701	100.0
70.92138	0.2
71.58483	0.5
72.76771	0.2
84.22343	0.3
93.03353	0.4
107.01243	0.2
123.00778	0.3
125.02302	0.6
151.00255	0.6
153.01817	0.3
169.01390	0.5
178.99869	0.4
194.00931	0.6
195.01265	0.3
196.01251	0.3
216.56676	0.2
219.03174	0.2
227.03439	6.0
229.05040	1.0
241.05078	0.3
255.02966	8.7
256.03629	1.1
257.04602	0.5
259.02545	0.3
284.03232	8.6
285.03986	8.8
286.04370	0.8
348.03915	0.3
431.09805	18.5
432.10165	1.9
485.12912	0.3
494.13638	0.4
495.10770	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02918	0.7
53.60978	0.8
54.16904	0.8
69.84697	0.7
70.91573	2.3
71.01270	1.2
72.00773	1.0
93.03321	2.4
95.01231	0.9
101.02286	1.2
107.01254	1.6
119.04893	4.6
123.00758	5.5
125.02337	17.0
128.46565	0.8
133.06303	0.8
139.00249	1.2
141.01805	1.0
144.85133	0.9
151.00287	3.9
163.03949	4.1
168.00528	2.6
169.01328	29.4
170.01726	1.3
180.06573	14.8
313.05637	10.1
342.12018	1.0
344.62051	1.0
433.11395	0.8
450.13303	1.2
476.11984	3.2
477.10953	1.2
494.13004	100.0
495.13406	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	495.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	11.4
63.02292	4.9
64.96503	2.8
65.00182	22.5
67.01778	7.0
68.99679	6.7
71.01255	7.3
72.99181	6.6
75.00749	7.3
79.01779	5.0
83.01270	11.1
87.00761	3.3
89.02367	3.2
93.03318	6.3
95.01273	13.6
96.99247	5.0
99.00753	24.4
104.43459	3.5
107.01269	15.5
109.02827	33.3
109.99998	5.5
111.00750	28.5
117.03339	5.0
119.04884	7.6
121.02846	12.1
123.00768	21.6
123.04362	4.6
124.01528	4.8
124.98730	5.8
125.02329	28.9
127.00248	8.1
131.04901	6.0
133.02843	12.9
135.00781	5.4
136.98692	6.3
137.02319	25.9
137.99486	5.3
139.00267	39.5
140.00848	4.2
141.01785	5.5
143.04945	7.2
145.02844	8.1
147.00745	6.3
147.04395	11.8
148.01540	11.2
149.02344	15.8
149.99435	5.3
150.03215	3.5
151.00276	52.2
151.03975	3.9
152.00992	9.9
153.01842	9.8
154.99757	47.9
158.03699	3.5
159.04410	13.9
161.02359	14.1
163.00246	15.1
163.03883	9.0
164.00995	4.7
164.98163	10.7
165.01854	19.0
165.05489	12.1
165.98943	8.3
166.99753	37.8
167.03365	3.7
168.00569	6.3
169.01309	18.4
169.02701	5.5
171.04427	9.8
173.02376	4.8
174.03096	5.7
175.00282	5.6
175.03918	13.7
177.01825	30.7
177.98969	3.4
178.99776	40.4
180.00423	4.7
181.01367	38.8
181.98508	3.7
182.99178	3.1
184.00014	15.0
187.03865	16.3
189.01830	15.4
189.05490	5.5
190.99791	5.3
191.03458	10.4
192.00557	10.3
193.01349	21.1
194.99246	32.8
195.02972	7.4
197.00836	5.5
197.02425	4.7
198.03067	3.6
199.03943	4.9
201.01924	10.0
202.07271	3.3
202.99779	4.2
203.03391	17.2
205.01366	14.6
205.05043	4.3
206.99365	4.9
209.00876	7.8
213.01849	9.3
215.03456	15.1
217.01372	8.2
217.05020	3.7
218.02161	4.6
219.02948	11.0
221.00851	5.0
222.98761	5.3
227.03557	3.4
229.01387	8.1
229.32236	4.4
230.02086	10.5
231.02942	30.5
233.00894	5.9
233.04527	12.1
235.02516	3.7
241.01437	4.3
243.02914	29.1
245.00941	9.1
247.02399	8.9
248.03203	4.9
249.04074	6.3
257.00760	4.0
258.01804	6.5
259.02429	52.2
261.03949	14.6
269.01031	5.4
271.02365	14.9
273.03943	7.6
274.01239	11.0
275.01874	17.8
276.02548	5.3
277.03433	17.1
283.02225	4.6
285.00317	9.8
285.04056	5.9
287.01968	100.0
288.02347	6.8
300.02905	14.8
301.03497	26.5
303.01337	26.2
304.01971	9.7
305.03070	28.9
312.99823	8.2
313.03311	4.3
315.01535	21.0
327.07196	4.8
328.43701	3.0
329.08823	5.3
331.00961	67.2
331.04645	8.3
332.01379	5.5
339.07184	23.8
341.08792	23.3
348.00864	4.8
348.04819	5.4
349.01855	11.2
349.05591	12.9
353.05261	3.8
355.02603	3.4
355.06705	16.2
359.06168	62.4
359.10242	5.2
385.07828	10.2
421.07697	6.6
423.09241	13.5
447.09204	10.6
449.07047	4.1
451.08789	11.5
462.08011	7.3
465.10321	9.9
477.06747	14.6
477.11426	5.1
495.08029	46.0
496.07956	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	493.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00475	1.5
59.01248	100.0
61.98687	3.9
71.01250	34.9
71.57699	1.8
72.99162	1.6
73.02811	6.8
80.40014	1.2
83.01260	2.9
85.02827	8.8
87.00746	3.8
89.02314	39.6
95.01260	2.2
97.50073	1.2
97.75412	1.2
99.00753	2.0
101.02319	26.2
113.02318	19.5
119.03391	20.7
120.46085	1.5
125.09645	1.3
131.03378	2.4
143.03404	5.3
145.02864	4.3
149.04497	2.3
153.78439	1.3
159.02937	1.4
161.04466	10.1
163.03972	1.7
163.11153	1.5
164.04573	1.3
169.01329	1.9
171.10173	4.4
176.09436	1.4
179.05544	11.6
209.11781	8.9
211.13362	3.9
261.41785	1.5
265.14276	1.9
276.59689	1.7
282.28494	1.4
295.22882	2.7
296.23111	9.2
313.05643	1.9
320.38657	1.4
325.56403	1.5
401.23361	2.4
433.28036	13.2
475.26944	3.3
480.57266	1.5
493.11182	3.9
493.27490	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	493.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	5.1
59.01244	18.9
71.01252	13.6
71.58000	5.5
72.99181	57.7
73.02803	4.9
75.10014	3.7
82.47423	4.7
83.16988	4.9
87.00758	7.5
88.00252	6.5
88.98663	10.0
89.02305	8.6
90.01828	11.2
90.76949	4.3
91.00236	100.0
101.02335	6.8
119.03414	4.8
119.04897	5.8
121.06503	6.3
125.02322	7.4
135.04362	8.6
138.01874	24.1
139.00337	4.9
139.02184	10.8
144.05750	8.2
149.09593	11.9
159.08136	5.9
169.01396	7.9
177.09096	43.8
179.03352	7.3
203.10733	10.7
207.81354	4.6
221.11760	37.1
239.12733	13.7
355.70798	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47181	4.5
57.03315	7.1
59.01252	21.0
71.01239	9.3
71.10371	6.1
71.10703	6.8
72.99168	48.3
73.02837	4.5
75.00726	10.5
83.11696	3.6
84.54974	4.2
85.02859	7.3
87.00745	4.4
88.98659	8.1
89.02316	14.3
90.01834	5.9
91.00242	100.0
91.52360	3.8
93.03413	3.7
95.01292	6.1
101.02342	8.8
111.82394	4.8
113.02321	7.0
119.04918	6.2
125.02351	12.9
135.04399	15.9
139.00302	6.0
149.09583	5.8
151.00273	5.4
151.07527	5.7
159.08067	4.7
161.04510	4.8
163.07524	7.9
165.05505	5.5
166.99754	7.3
169.01329	18.8
177.09128	42.5
179.03406	13.5
203.10716	18.1
221.11743	30.5
239.12788	6.5
240.13235	5.8
259.89279	4.7
313.05576	13.3
361.51758	4.4
466.07468	4.2
467.63678	5.4
493.09897	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	493.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03281	0.5
59.01246	5.4
67.01731	0.4
71.01247	2.9
72.99118	1.1
73.02777	0.4
74.15504	0.4
75.00743	5.6
80.62698	0.4
83.01194	0.8
85.02794	0.8
87.00706	0.5
89.02306	1.8
89.78476	0.4
95.01243	0.4
98.20547	1.0
99.00729	0.4
101.02264	1.3
101.29640	0.4
107.01273	3.3
109.02780	0.6
111.00757	4.1
113.02267	1.0
119.04900	0.7
121.02782	0.5
123.00761	3.5
124.01507	2.0
125.02335	23.6
126.02596	1.1
126.24131	0.4
127.00185	1.5
133.02824	0.8
135.02823	0.6
135.04350	0.8
136.98648	1.1
137.02322	0.8
139.00264	5.1
139.03836	1.2
140.01051	3.4
141.01805	0.6
142.72697	0.4
145.02832	0.8
149.02318	0.7
151.00278	1.8
153.01794	0.8
161.02370	2.1
163.03883	1.0
164.04471	0.5
165.01762	1.0
166.99760	6.8
167.03397	1.9
168.00554	15.6
169.01335	34.1
170.01646	1.3
179.03343	0.4
179.07011	0.4
181.01308	0.6
183.02905	0.8
185.00801	1.6
191.99197	0.4
211.02415	59.3
212.02811	2.7
223.02501	0.4
223.06061	1.2
225.03976	0.5
232.61949	0.4
234.79085	0.4
241.03514	1.2
270.03629	0.5
271.04572	100.0
272.04861	6.0
285.06186	1.0
309.71384	0.4
313.05801	2.0
314.00284	0.4
331.06677	13.6
332.07251	1.1
341.09213	0.5
433.24527	0.7
493.13837	15.1
493.29947	5.5
494.14093	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	493.1346
Annotation	Ericifolin
Peak:m/z	Relative Intensity
59.01249	7.3
65.00188	1.0
67.01749	1.3
69.54187	4.9
71.01251	6.1
72.99191	1.2
75.00739	1.4
79.01747	1.4
83.01241	0.9
85.02818	1.2
87.00751	1.6
89.02322	4.2
95.01246	2.5
96.95879	1.8
97.02856	1.3
101.02312	3.3
103.00269	1.2
107.01264	8.3
108.16277	0.7
111.00740	4.8
113.02325	2.6
119.03439	1.1
119.04910	2.8
123.00764	12.4
124.01567	0.9
125.02332	48.9
126.02655	2.0
127.00293	0.9
135.04407	4.1
136.98689	1.5
139.00270	6.1
139.03864	1.2
140.01041	2.4
141.01825	1.5
143.03487	1.1
146.03627	12.5
147.04367	1.0
147.56653	0.7
149.02417	0.7
151.00294	6.6
151.03929	1.0
153.05440	1.4
154.04987	0.8
161.02284	1.4
161.05989	2.9
163.03917	2.1
164.04713	7.1
165.05438	2.8
166.99768	7.2
167.03386	1.0
168.00523	3.3
168.46469	0.7
169.01331	60.8
170.01671	1.3
175.02457	1.5
179.03404	2.6
179.05609	1.3
179.07060	5.7
181.04974	0.8
194.69902	0.7
195.02974	1.0
196.89964	0.7
197.99066	1.9
198.99869	2.4
207.02864	1.4
211.02455	1.8
241.03537	1.3
271.04669	1.6
278.15298	0.8
297.06223	1.1
313.05582	24.1
314.05978	2.2
323.01138	0.9
327.07343	1.4
331.07465	3.1
420.72711	0.8
433.24341	1.3
449.10785	1.1
493.13528	100.0
494.13965	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	493.1349
Annotation	Ericifolin
Peak:m/z	Relative Intensity
57.03321	16.7
59.01244	2.6
67.01772	0.5
69.03320	0.8
71.01252	3.9
72.99188	0.8
73.02840	1.3
75.00745	3.6
79.01762	0.4
83.01268	0.9
84.67191	0.4
85.02838	1.8
87.00725	0.5
89.02331	1.5
93.03362	0.9
95.01256	1.4
97.02841	0.9
98.19795	0.8
99.00811	0.5
101.02296	2.1
105.01835	0.6
107.01271	7.2
109.02822	2.4
111.00757	1.8
113.02316	2.0
121.02841	20.9
122.03174	0.5
123.00765	8.0
124.01645	1.0
125.02334	40.1
126.02671	1.2
135.04430	1.4
136.98776	0.9
137.02344	0.8
139.00247	2.4
139.03894	1.2
140.01006	2.0
141.01843	1.0
149.02391	0.5
151.00275	7.4
153.01834	0.6
161.02383	0.4
161.04495	0.4
165.01871	0.7
165.09312	0.4
166.99767	1.0
167.03447	0.5
168.00558	3.2
169.01334	60.0
170.01640	2.6
178.99771	1.3
179.03648	1.1
179.07054	52.2
180.07347	2.0
190.02618	0.4
193.01399	0.5
194.15419	0.4
204.54941	0.4
208.76845	0.5
211.02409	1.2
241.03523	1.5
253.03470	1.0
303.08795	1.8
313.05634	39.3
314.05914	2.3
331.08252	1.0
341.12354	1.5
341.93558	0.4
423.10052	0.5
433.24432	0.9
435.08990	0.9
493.13480	100.0
494.06979	0.8
494.13809	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	493.1349
Annotation	Ericifolin
Peak:m/z	Relative Intensity
52.93604	0.5
59.01241	5.3
59.08985	0.5
63.00468	0.5
63.20908	0.5
65.00198	0.7
67.01743	1.5
69.03322	1.2
69.70309	2.3
69.70719	0.9
70.84231	0.4
71.01242	5.2
71.92947	0.5
72.99184	0.8
73.02823	1.2
74.24646	0.5
75.00732	0.8
79.01754	0.8
83.01264	0.8
85.02829	1.6
86.68445	0.5
87.00759	1.0
89.02325	1.5
95.01270	2.5
97.02825	1.4
101.02316	3.0
107.01267	8.3
111.00745	3.5
113.02312	2.7
119.04908	2.4
123.00763	13.8
124.01627	1.2
125.02331	54.8
126.02655	1.7
127.00222	1.3
135.04419	4.0
136.98697	1.2
139.00258	8.1
139.03918	0.6
140.01060	4.2
141.01773	1.7
145.02820	0.5
146.03627	13.7
147.04340	1.1
149.02429	0.6
151.00264	8.7
153.01872	0.9
154.54530	0.5
158.56395	0.5
161.02306	0.8
161.05969	3.9
163.03917	2.8
164.04691	9.5
165.05515	2.7
165.06764	0.5
166.99768	10.0
168.00545	5.6
169.01329	76.5
170.01709	2.6
178.65831	0.6
179.03429	3.3
179.05499	0.8
179.07024	10.0
183.02937	1.2
185.00847	1.5
185.02441	0.5
197.99071	0.7
198.99950	1.1
211.02377	2.4
241.03459	1.9
253.03416	0.8
271.04605	1.5
297.05994	0.7
313.05597	28.5
314.06003	2.1
327.07230	1.7
331.08112	1.0
379.01694	0.5
402.54001	0.5
433.24680	1.0
436.98712	0.5
449.11005	1.3
475.08783	0.8
493.13522	100.0
494.13852	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	493.1347
Annotation	Ericifolin
Peak:m/z	Relative Intensity
59.01239	4.3
65.00199	0.6
69.03316	0.4
69.32996	3.8
71.01255	2.6
72.99183	1.3
73.02828	0.5
73.38243	0.4
75.00752	2.8
79.01736	0.5
83.01285	0.7
85.02805	0.9
87.00750	0.6
89.02312	1.1
93.03308	0.5
95.01273	1.0
97.02923	0.4
99.00780	0.6
101.02311	1.1
107.01289	2.4
109.02833	0.5
111.00764	2.6
113.02338	0.9
121.02827	0.6
123.00755	3.0
124.01572	1.8
125.02335	23.0
126.02675	1.3
127.00238	0.8
133.02859	1.0
135.04440	0.7
136.98701	1.8
137.02365	0.6
139.00249	3.1
139.03925	0.6
139.72627	0.5
140.01045	3.3
141.01920	0.5
145.02850	0.8
147.04390	0.4
149.02408	0.5
151.00287	3.2
151.03879	0.7
153.01819	0.9
161.02345	1.6
163.03891	1.2
164.04749	0.7
165.01819	1.4
166.99751	2.2
167.03404	1.2
168.00552	12.6
169.01334	32.4
170.01677	1.0
175.03918	0.5
177.01865	0.7
178.99796	1.4
179.03395	0.5
179.07034	0.6
183.02855	0.8
194.99269	0.7
201.01982	0.6
203.03535	0.5
211.02408	61.7
212.02667	2.5
213.01895	0.5
231.02893	0.5
241.03487	1.2
245.04469	0.5
258.01630	0.4
259.02548	0.5
271.04575	100.0
272.04916	6.6
274.01346	0.5
284.19315	0.5
285.00491	0.6
287.02090	1.2
312.14282	0.4
312.99921	0.9
313.05789	0.7
315.01480	0.5
331.00696	1.3
331.06708	11.3
332.07117	0.8
480.65082	0.5
493.14148	6.5
493.30304	1.5
494.06750	0.8
494.14236	1.0
506.94366	0.5
511.91000	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1138
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
54.69524	0.3
59.01246	1.1
61.98698	0.3
63.02272	0.5
65.00180	1.9
65.15656	0.3
68.26304	0.3
72.99154	0.4
82.13422	0.3
83.01257	1.2
95.25495	0.3
98.19707	0.5
107.01267	3.3
125.02295	0.6
132.02054	1.1
133.01834	0.6
133.02841	12.5
149.02319	2.6
150.99120	0.6
151.00267	8.5
158.80186	0.3
161.02403	0.3
169.01308	0.5
171.04398	0.6
171.10124	0.3
175.03891	4.4
177.01851	0.5
179.03473	0.4
183.04420	0.8
187.03891	0.6
188.04646	0.3
189.05336	0.3
197.05995	0.4
198.03119	0.6
199.03906	3.4
200.04402	0.3
201.01857	0.9
209.11719	0.5
213.05556	0.5
215.03439	0.5
217.05008	2.1
227.03484	1.7
228.04065	0.3
229.04962	0.4
241.04951	1.1
243.02939	1.2
249.10428	0.3
255.02946	21.1
256.03711	26.7
257.04163	2.3
267.02911	0.6
276.84302	0.3
281.04709	0.4
283.02460	40.4
284.03223	69.4
285.03995	100.0
286.04361	7.4
298.04794	0.5
299.05777	0.3
325.03198	0.4
326.04327	1.2
327.05075	0.8
435.10519	0.6
463.10394	0.8
475.10190	1.7
484.01859	0.3
493.11374	12.1
493.27368	0.5
494.11755	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	493.1142
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
53.50853	0.4
59.01242	3.7
61.98701	0.5
62.74058	0.4
63.01419	0.5
65.00192	1.4
71.01244	1.3
71.57664	0.5
71.58015	0.5
73.02790	0.5
80.46905	0.5
81.03349	0.8
83.01261	1.2
83.04879	1.6
85.02847	0.6
95.04852	0.7
95.54949	0.5
101.02321	1.2
107.01262	1.5
123.08036	0.5
125.09600	1.8
132.46640	0.5
135.04402	0.7
138.90729	0.6
145.02910	0.8
146.03625	1.3
149.09584	0.9
151.00258	5.1
155.04935	0.6
157.02814	0.9
158.03650	1.0
161.04477	0.6
163.11224	0.9
164.04675	0.9
165.05441	1.1
167.04796	0.6
171.04436	0.8
171.10185	15.6
178.99748	0.9
179.07089	1.1
183.04416	1.9
185.02330	0.6
185.11798	0.6
186.03139	1.6
187.03989	0.8
189.01746	0.9
198.03156	0.9
199.03925	5.6
201.01839	1.1
203.03467	1.2
209.11781	30.0
210.12210	1.1
211.03882	0.7
214.02586	4.5
215.03319	2.3
216.00533	0.6
217.01282	0.7
218.02126	0.7
219.13788	0.5
226.02614	0.7
227.03471	4.4
227.12819	1.3
229.01366	0.5
240.04195	0.5
241.01382	16.5
242.02106	10.2
243.02951	12.4
244.03275	0.7
245.00871	11.9
246.01244	0.8
247.13330	5.5
254.02234	1.0
255.02962	10.9
256.03595	0.7
265.14417	1.9
270.01688	36.4
271.02426	23.8
272.02921	1.6
282.01715	5.7
283.01978	0.6
284.84747	0.6
285.04007	10.1
286.04425	0.9
298.01147	10.0
299.01947	52.0
300.02661	23.1
301.03314	3.8
313.03525	100.0
314.04211	33.3
315.05026	14.3
316.05362	0.8
357.24713	0.6
375.21277	0.8
375.25345	1.2
383.22244	0.8
399.16870	0.5
401.23303	1.7
419.24442	0.9
433.27881	1.3
457.25940	1.0
463.10385	1.4
475.10437	4.7
475.27042	4.8
493.11542	5.6
493.28165	3.7
494.11548	0.6
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	Unknow
Peak:m/z	Relative Intensity
59.01242	3.3
65.00188	0.7
69.03320	0.6
69.27106	7.1
71.01237	5.4
77.43104	0.6
79.01725	0.7
82.84879	0.6
83.01269	1.2
85.02805	1.6
88.48197	0.6
89.02309	0.8
95.01245	1.3
96.93753	0.8
98.20657	1.1
101.02308	1.5
107.01270	7.1
111.00752	3.2
113.02316	1.2
119.04912	1.9
123.00764	7.0
124.01571	1.4
125.02331	43.5
126.02671	1.3
127.00251	0.7
132.02054	1.5
133.02841	21.4
134.03192	0.8
135.04407	8.9
136.98654	2.2
137.02310	0.8
139.00264	5.8
139.03896	0.8
140.01071	3.7
141.01758	0.8
146.03606	2.9
151.00275	5.4
161.02345	50.9
161.05981	1.3
162.02652	1.7
163.03937	1.8
164.04697	2.6
165.01733	0.9
166.99773	6.8
167.03439	1.4
168.00552	12.3
169.01331	66.5
170.01660	2.2
175.03847	1.0
179.03450	4.7
179.07050	2.1
183.02824	0.9
193.01357	0.9
203.03438	1.1
211.02406	41.6
212.02803	2.3
241.03528	2.7
253.03351	1.4
271.04559	63.0
272.04907	2.8
313.05643	25.1
313.08530	0.5
313.09351	1.0
314.06061	1.1
331.06717	14.3
341.08710	2.5
373.09152	0.7
398.79770	0.6
434.85550	0.7
449.10672	1.9
493.09213	100.0
494.09698	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	493.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.0
59.01249	6.3
65.00220	0.7
67.01760	3.8
71.01256	5.1
71.44861	1.2
72.99181	1.2
73.02840	1.0
75.00729	3.3
78.95768	1.7
79.01793	1.0
83.01275	2.7
85.02826	1.9
89.02335	1.4
93.03278	0.8
95.01286	2.8
96.95870	4.1
96.96845	2.5
97.02856	1.0
101.02335	2.2
107.01264	4.1
107.04887	0.7
109.02865	1.0
111.00760	25.2
113.02371	1.6
115.25795	0.6
119.04914	8.2
121.02858	1.5
123.00763	12.7
124.01587	1.0
125.02331	24.1
126.02646	0.8
127.00293	0.8
133.02866	9.5
135.04411	20.3
136.98624	0.7
137.02351	0.8
139.00267	42.5
139.03871	3.5
140.00937	1.3
141.01823	1.9
150.03090	1.0
151.00273	4.4
153.01753	1.5
154.99745	0.7
161.02347	24.1
161.04404	1.5
162.02576	0.7
163.03940	5.1
165.01842	1.7
166.99767	100.0
168.00502	6.6
169.01326	39.7
170.01651	1.8
177.01920	1.1
177.05507	1.3
179.03404	11.7
181.04959	0.7
185.00832	27.6
186.01128	1.3
193.01311	1.3
203.03343	0.8
209.04567	0.9
211.02414	17.3
212.02692	0.8
221.04504	0.8
231.44482	0.7
241.03426	1.5
271.04578	29.3
272.04785	1.6
281.06516	1.0
298.04541	0.9
303.08661	0.9
313.05560	17.0
314.06134	1.1
331.06720	6.2
341.08777	2.1
433.24271	3.3
449.10837	5.6
450.11157	1.4
465.06131	1.0
475.08221	4.1
476.08801	0.8
492.18967	0.9
493.09683	52.4
493.30032	2.1
494.09845	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	493.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	13.0
61.69715	2.1
61.98703	8.3
65.00171	2.9
69.12776	2.0
69.88422	11.3
71.01251	7.1
72.67440	2.2
72.99185	3.8
75.00757	5.6
77.03844	2.1
79.01772	7.0
85.02822	4.3
93.03324	3.3
95.01262	3.5
97.02807	3.2
101.02338	1.8
107.01319	2.2
107.51044	1.7
109.02853	14.3
111.00769	3.2
113.02322	3.7
120.02033	2.9
121.02831	11.3
123.00748	5.9
124.01541	2.3
125.02336	9.4
133.02838	3.5
135.00809	4.7
135.04390	2.8
137.02328	7.3
139.00281	4.3
139.03911	5.4
145.02893	9.2
146.03630	2.0
148.01575	3.8
149.02353	3.7
149.06082	2.2
151.00290	4.6
153.01837	8.4
159.04439	2.4
161.02353	2.9
163.00316	6.7
163.03914	5.3
164.00999	4.6
165.01834	31.9
166.02603	5.5
167.03394	3.1
169.01381	3.8
175.03899	2.5
177.01886	4.3
178.99794	4.9
180.00488	2.9
181.01524	2.1
183.02876	3.9
185.05995	2.5
187.03966	3.8
187.07576	2.0
189.01833	4.0
189.05502	3.1
190.99736	2.8
191.03427	2.5
192.00597	6.3
193.01343	32.7
198.03169	2.4
201.05502	5.7
203.03479	6.3
207.03024	3.6
209.00819	2.8
211.04074	2.8
211.13359	5.0
213.05493	4.9
215.03375	1.9
217.05060	6.5
227.03389	4.5
229.05133	9.7
231.02954	3.7
231.06618	2.2
241.04980	3.0
243.03078	2.5
244.03935	2.3
245.04596	6.4
246.05244	5.3
247.06104	6.8
255.02977	3.5
257.04526	12.5
259.02475	2.9
259.06052	5.8
261.04041	3.5
271.02481	4.0
272.03217	2.6
273.04114	12.0
274.04794	3.6
275.05600	7.9
283.02441	18.0
284.03040	3.6
285.04053	32.6
286.04587	2.8
287.02075	2.4
300.02634	2.8
301.03580	38.5
302.04172	10.7
303.05048	9.6
307.08368	1.9
311.02060	7.1
313.03494	25.9
314.04138	5.6
319.04700	4.3
328.02103	4.0
329.03003	100.0
330.03415	8.6
339.07581	2.3
346.03204	8.1
347.04025	14.6
354.82126	2.1
421.11066	2.8
456.68387	2.1
457.14905	4.9
460.10251	2.9
461.10352	2.8
461.20309	4.3
465.10370	3.3
475.08826	7.9
476.09601	5.4
493.09818	44.8
493.22632	3.1
494.10284	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	491.286
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
50.96762	0.4
55.01742	0.8
57.03308	1.0
58.00459	0.7
59.01250	9.3
69.03319	0.6
70.15104	0.8
70.15476	1.3
71.01250	8.4
72.99166	1.6
73.02815	2.5
75.00729	1.2
78.95782	0.4
83.01272	1.8
85.02827	4.1
87.00750	0.8
89.02325	2.2
93.03332	1.1
95.01245	1.0
97.02757	0.4
98.20520	0.5
99.00739	1.1
101.02312	6.1
107.01293	0.5
107.04881	0.8
109.02831	0.5
111.00729	0.5
113.02293	2.2
116.93750	0.3
117.03294	0.5
119.03367	0.5
119.04894	1.1
125.02318	1.5
125.09641	2.0
127.11171	4.5
135.04410	5.3
137.09581	0.8
139.11124	0.5
145.02841	0.7
149.05943	0.6
151.00304	0.5
153.01791	0.9
153.09081	0.4
155.10661	1.8
161.04449	0.6
163.03860	0.8
165.05443	1.2
165.09123	1.4
169.01270	1.1
171.10225	4.1
177.05510	0.4
178.02522	0.5
179.06975	0.4
183.10098	0.5
189.05399	0.4
193.04947	0.9
199.09598	1.0
201.11249	26.9
202.11612	1.1
269.17545	1.3
275.20227	0.5
293.21201	1.6
295.09900	0.7
301.03497	1.7
311.12753	2.0
311.22180	2.9
313.05664	0.7
326.07410	0.4
329.10202	3.0
329.13629	0.5
329.23297	6.5
330.23581	0.8
387.32254	0.4
455.26514	0.8
473.27698	4.1
474.27289	0.5
490.81616	0.4
491.28586	100.0
492.28870	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	491.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90122	0.5
55.01762	1.2
57.03324	0.7
58.00453	2.7
59.01249	60.3
61.98683	0.7
66.75198	0.5
69.03329	1.5
69.32528	1.3
69.32940	4.4
71.01251	53.9
71.04895	0.6
71.73341	0.6
72.99174	4.7
73.02813	16.1
75.00746	2.2
78.57943	0.6
78.93563	0.5
78.95808	0.6
80.19812	0.6
81.03316	1.4
83.01263	1.9
85.02824	6.0
87.00755	2.7
89.02313	100.0
90.02663	1.7
93.03330	0.5
95.01302	0.8
97.02811	2.5
97.06464	5.5
98.06813	0.6
99.00753	29.3
99.08019	2.1
101.02320	38.2
102.02645	1.0
102.08620	0.5
102.47731	0.6
108.02062	0.6
109.02823	1.6
111.00758	0.7
113.02313	8.2
113.09623	0.6
115.03909	0.9
117.03281	0.7
119.03382	3.1
119.04917	2.3
121.02809	0.8
122.03635	1.7
123.04404	3.2
125.02330	16.7
131.03398	19.4
133.02863	0.7
135.04431	3.1
137.02310	1.7
137.09586	1.1
143.03401	3.4
144.15038	0.6
145.02863	1.5
149.04457	67.9
150.04834	1.8
151.00250	0.9
153.01845	2.1
153.12752	66.7
154.13120	3.3
161.02364	1.4
161.04391	3.1
163.03969	2.8
165.05457	1.2
167.03424	6.7
179.03407	0.9
179.10683	21.4
180.11009	1.3
187.03943	0.6
191.03650	1.2
191.05536	16.0
191.07314	0.8
192.05949	0.6
197.11758	63.4
198.12134	4.2
221.06569	3.8
229.04947	0.7
233.06633	7.8
235.13579	0.6
251.07695	4.3
275.07498	1.0
287.95569	0.6
289.07089	0.6
293.08765	15.3
294.09021	1.1
311.06015	0.5
311.09888	2.7
329.10327	1.0
345.06149	0.8
346.09378	2.3
359.62268	0.7
431.22748	0.8
491.11374	2.7
491.21490	2.2
491.28683	1.6
492.12247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	2.8
59.01247	41.1
62.30341	1.2
62.60604	1.2
69.49298	7.9
69.49718	3.0
71.01269	7.9
71.04889	1.6
72.99164	3.8
73.02821	2.5
74.29450	1.2
75.00751	3.7
75.41824	1.5
85.02834	9.9
87.00733	1.2
87.04385	43.1
89.02316	4.6
92.52656	1.2
93.03327	2.4
99.04389	1.6
100.68859	1.1
101.02351	3.2
106.04187	1.3
113.02315	5.1
119.03397	1.5
119.04874	2.4
121.02876	1.5
123.04382	3.2
133.02782	1.5
147.08035	2.6
161.02347	1.6
161.04485	2.3
163.03915	1.5
172.03918	1.2
191.07053	1.9
207.17438	2.2
223.09720	2.5
267.10233	1.7
269.17572	100.0
270.17877	7.4
285.03885	1.5
293.17453	5.0
311.09317	11.7
359.21564	1.4
431.22726	2.2
491.11264	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1557
Annotation	Myrciacitrin II
Peak:m/z	Relative Intensity
51.76690	0.3
59.01241	1.7
61.57871	0.4
70.95068	0.4
71.53872	1.0
87.40109	0.4
102.06176	0.4
107.04901	0.5
109.02823	3.2
134.03653	1.6
135.04410	100.0
136.04744	3.3
137.02350	0.6
149.05971	0.8
150.03134	2.6
150.75702	0.4
151.20035	0.4
152.40823	0.4
158.00941	0.4
161.02344	1.9
163.03896	0.8
164.04729	1.3
178.02620	12.5
179.03093	0.7
192.04152	1.1
193.04990	34.3
194.05338	1.7
211.06091	1.9
224.03175	1.4
224.78749	0.4
261.30042	0.5
297.09863	0.4
311.01886	0.9
312.02765	0.5
329.10284	74.7
330.10632	6.3
350.85306	0.5
485.31454	0.4
485.39432	0.4
491.15598	8.4
492.15884	1.7
508.53723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.5
59.01251	2.1
61.98672	0.5
70.18848	0.5
71.01250	3.0
73.02813	1.0
78.95783	0.8
81.22078	0.4
83.01280	0.5
85.02818	1.7
91.59451	0.4
93.03339	19.4
98.20554	1.1
99.00771	0.5
101.02322	1.2
113.02309	1.4
119.04938	2.6
151.03912	2.5
161.04465	0.9
164.04640	0.8
165.05510	3.1
166.06274	3.0
177.01790	1.0
179.03435	1.9
181.08629	7.0
193.04993	49.6
194.05302	2.4
205.05046	3.1
207.06490	0.7
208.07347	6.2
223.09709	100.0
224.10036	6.3
229.53688	0.5
235.09709	5.9
236.10199	0.5
240.06392	0.8
299.09103	0.7
313.10724	0.4
313.22598	0.4
329.13943	38.1
330.14282	3.5
491.19205	1.2
492.27258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74277	1.5
55.03844	1.3
57.03326	2.8
58.00462	4.7
59.01249	89.5
70.72858	2.6
70.73233	3.2
71.01252	71.1
71.04878	7.6
72.99181	8.3
73.02822	3.9
75.00735	5.4
81.30538	1.5
83.01272	2.4
85.02805	10.2
87.00745	2.8
89.02314	89.7
93.03310	3.1
95.01276	3.1
101.02326	10.8
107.01268	4.6
107.04902	1.5
108.02060	4.4
109.02849	7.7
111.00731	1.6
113.02331	14.1
117.03362	2.7
119.03409	3.9
119.04913	4.7
121.02837	9.7
122.03651	2.4
123.00768	10.3
123.04408	6.2
125.02325	29.1
131.03406	13.5
134.03613	1.8
135.04419	25.6
137.02319	3.7
139.00261	2.8
145.02863	2.0
149.04460	16.9
149.05864	3.3
150.03094	2.1
151.00256	5.7
151.03891	2.0
159.04358	7.6
160.05217	17.7
161.02345	6.2
161.04549	3.5
161.05931	4.4
163.03926	2.2
164.04764	1.4
168.00471	1.8
169.01343	28.3
171.04376	2.4
172.05170	10.3
173.05931	6.1
175.03940	3.3
175.07596	7.2
177.05487	10.2
177.09245	2.3
178.02603	2.1
187.07585	4.0
189.05484	21.8
190.06288	21.7
193.04990	4.1
201.05492	1.7
203.07150	2.1
203.20587	1.8
205.05081	1.4
205.08633	20.6
221.18068	1.9
281.08182	5.3
295.09686	2.0
296.10504	13.0
298.96783	1.5
300.02551	2.3
311.09445	3.4
311.12756	13.2
313.05750	9.6
329.10254	14.7
329.13965	5.3
341.13919	100.0
342.14319	9.4
419.93488	1.7
491.16174	27.0
492.16266	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	491.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37784	2.6
56.93521	2.8
59.01249	54.1
61.98725	2.7
69.99791	12.7
71.01250	8.7
72.99203	3.5
73.02778	3.6
75.00731	3.1
79.01746	14.4
84.34009	2.9
85.02851	6.6
87.00771	3.0
89.02306	5.4
91.05412	4.1
93.03326	22.9
95.04907	2.9
97.02779	2.8
98.19865	3.2
98.77176	2.6
101.02282	5.4
107.01340	2.7
107.04910	7.7
107.62617	2.7
108.02051	4.0
109.02837	7.5
111.00765	4.0
111.04386	6.5
117.03335	3.7
119.04906	15.8
121.02825	6.7
122.03651	3.4
123.04384	16.8
124.01554	2.9
125.02349	5.5
132.02029	4.7
133.02817	7.2
134.03607	7.9
135.04381	37.7
137.02347	11.5
139.03871	3.5
140.04097	2.8
147.04337	3.0
149.02339	7.7
149.06032	8.4
150.03111	4.6
151.00275	2.8
151.03886	12.7
153.01813	6.5
153.05437	5.2
154.01454	3.8
157.06560	3.0
161.02365	3.7
163.00241	2.6
163.03870	11.3
164.01091	6.9
165.01921	4.6
165.05441	2.9
167.03403	7.9
168.02884	8.0
173.05956	4.0
175.04018	2.7
177.01854	5.9
178.02586	5.3
179.03406	87.7
180.03891	6.2
181.01276	2.7
181.04915	2.7
183.08034	3.2
184.05202	2.8
185.05917	3.9
192.04150	4.1
195.72340	2.6
197.04431	8.0
197.06090	3.4
199.07590	6.1
201.05516	4.8
205.04936	2.9
207.02902	71.6
207.04842	4.6
209.11798	3.2
211.03978	4.0
211.07573	8.7
212.04587	3.7
213.05502	4.0
219.02882	11.5
220.03777	5.9
225.05533	4.0
227.03445	3.8
227.07108	8.3
229.04945	5.6
239.07051	7.4
240.04240	4.5
241.05038	13.0
243.06535	9.1
245.04463	3.7
255.06599	17.5
256.03748	6.3
257.04538	11.5
259.53262	2.8
269.04562	8.8
270.05206	3.2
271.06137	11.7
273.04150	5.0
273.07648	8.3
273.69009	3.3
281.04678	3.1
283.06046	27.5
284.03265	4.9
284.06650	5.4
285.04053	9.2
287.05658	5.5
298.04788	8.3
299.05548	49.7
300.06094	3.2
301.03870	3.0
301.07114	12.4
311.05609	50.3
312.05911	8.8
317.06537	3.8
326.04395	11.2
327.05042	100.0
328.05508	12.3
329.06641	6.3
329.10306	49.5
329.13840	5.0
330.08038	5.5
343.10464	3.4
344.05325	25.6
345.06036	38.3
353.47168	3.1
365.08377	5.0
371.09641	4.4
431.09875	4.6
446.61115	2.5
458.12204	7.5
463.12732	4.2
473.10867	7.7
474.11172	3.7
491.11414	58.0
492.12344	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	490.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01752	0.2
55.68464	0.2
59.01252	0.6
63.74694	0.2
70.85687	0.2
78.95303	0.3
78.95770	6.3
98.20532	0.6
152.99458	0.5
154.02664	1.8
162.83784	0.7
192.77147	0.2
210.05321	0.9
228.06429	2.8
261.22223	0.6
264.59222	0.2
279.23267	100.0
280.23608	9.5
280.26758	0.4
284.08823	0.2
358.32498	0.2
490.22067	0.3
490.29321	7.2
491.29684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.4
62.96255	0.3
77.31567	0.2
78.95773	21.1
96.10194	0.2
96.96906	0.2
100.32395	0.2
105.31422	0.2
134.98405	0.2
136.01553	0.7
152.99515	2.0
154.02650	4.0
180.04233	0.2
210.05302	9.1
211.05783	0.2
211.13330	0.4
221.38817	0.2
223.13351	0.3
228.06401	2.2
254.99744	0.2
261.22083	0.3
279.23270	100.0
280.23605	9.6
490.29361	24.7
491.29608	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	490.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94283	1.4
59.01255	9.3
65.00208	1.6
65.99712	3.5
71.01256	5.5
79.07294	1.3
83.01271	1.7
89.02320	5.4
90.38856	1.6
93.03306	1.9
107.01276	4.7
109.02837	12.6
111.00813	2.0
119.04919	1.7
121.02876	4.0
123.00790	3.9
124.01562	1.8
125.02347	4.3
130.76872	1.3
131.04898	1.5
133.02863	2.2
134.02393	5.0
135.00769	3.1
135.04407	8.9
137.02342	10.5
139.00218	2.3
139.03813	1.6
145.02902	1.4
147.00807	3.0
148.01569	27.1
149.02356	7.2
151.00273	18.7
152.01024	2.6
153.01816	1.6
158.02390	2.2
159.04424	1.9
161.02362	4.3
162.01859	13.7
163.00301	6.0
163.03932	4.1
164.01172	1.3
164.03412	11.3
165.01845	2.1
166.99774	2.1
169.01328	3.6
169.12450	1.4
173.06049	1.2
175.00325	5.2
175.04016	2.3
176.01147	2.1
176.03381	1.7
177.01843	38.2
178.99748	13.7
181.01396	1.7
183.04494	1.6
185.26840	1.2
186.01910	7.0
187.02634	1.6
189.01907	1.8
190.01401	5.3
191.02072	4.1
191.03603	2.7
192.00632	1.8
193.01332	3.7
193.05093	2.2
199.03883	3.5
201.05571	3.0
202.01376	3.2
202.99818	10.5
203.02116	5.3
204.02953	40.2
205.01486	1.8
205.03319	1.9
215.03413	2.2
217.04956	2.0
227.03453	6.5
230.00877	18.7
231.01489	2.4
242.02283	1.5
243.03020	7.5
245.04456	2.9
247.01312	3.0
255.02986	7.4
256.03714	1.9
259.02490	1.8
268.02505	1.5
269.01031	3.4
269.04684	2.0
270.01563	2.8
270.04218	1.7
271.02454	19.9
271.05023	2.1
272.03152	6.7
273.04114	2.2
281.06662	4.2
283.02386	1.8
284.03207	2.5
285.04001	5.4
287.02023	3.2
288.02747	3.4
294.04059	5.1
295.02100	3.0
296.05777	2.0
298.03555	1.6
299.01953	29.2
299.07477	2.8
300.02524	10.0
301.03488	4.4
310.03650	2.8
312.02066	2.6
313.03589	8.9
314.03857	2.6
315.04028	1.9
316.02188	15.8
317.02988	23.4
318.03369	1.7
322.03650	9.0
325.05630	11.7
326.03021	1.9
328.04544	3.7
329.10321	5.3
336.07199	2.5
339.03867	19.2
340.00931	7.8
340.04538	38.9
341.05017	4.1
342.02002	1.8
344.04129	1.8
354.08249	35.5
355.08649	1.8
357.04944	15.7
358.05737	7.0
380.06183	35.3
381.06610	2.4
405.08234	3.9
432.07016	5.1
447.09396	2.5
449.07193	16.4
450.07724	3.2
472.08813	27.4
473.09622	2.7
490.09946	100.0
491.10010	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	488.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55620	0.2
59.01252	1.7
66.41407	0.2
71.01254	0.3
71.12006	0.5
74.65162	0.2
78.95773	26.9
89.17006	0.2
93.23119	0.2
104.97291	0.3
105.61238	0.2
106.86739	0.2
115.97955	0.2
122.98398	0.3
131.37926	0.2
134.98442	0.4
136.01566	0.9
152.99495	2.1
154.02638	5.1
156.41072	0.2
171.00468	0.2
180.04179	0.3
210.05302	11.7
211.05653	0.4
218.32425	0.2
228.06351	2.5
229.06656	0.3
233.22667	0.4
259.20480	0.3
275.19977	0.3
277.21698	100.0
278.22061	9.5
296.10980	0.2
488.27802	24.3
489.28140	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1039
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
59.01237	0.5
61.60497	0.4
71.45526	0.5
71.45867	0.7
83.01288	0.5
107.01286	0.6
117.03236	0.6
125.02344	1.2
128.94069	0.5
137.02348	0.8
145.02847	1.3
147.50339	0.5
151.00264	2.2
153.01807	1.7
178.99809	0.7
179.03418	0.7
183.04503	1.5
187.03812	0.7
211.03943	1.8
212.04456	0.5
213.05585	0.6
227.03442	71.1
228.03804	4.6
229.04927	1.2
241.04909	0.6
255.02959	89.2
256.03506	12.5
257.04349	1.5
283.02158	0.5
284.03259	64.5
285.03958	30.2
286.04337	1.3
299.29584	0.5
319.77927	0.5
327.05045	1.3
407.21460	0.5
423.42398	0.5
451.09988	0.6
489.10367	100.0
490.10727	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	488.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	1.3
59.60445	0.2
65.40720	0.2
66.04333	0.2
71.01233	0.3
71.56974	0.4
71.81613	0.2
77.18231	0.2
78.95776	7.9
83.04865	0.3
99.37535	0.2
141.09010	0.2
152.99498	0.8
154.02649	2.2
171.10176	0.4
187.18300	0.2
198.03380	0.2
209.11665	0.2
210.05313	1.4
228.06351	3.4
233.22707	0.3
253.59384	0.2
259.20651	0.4
261.14874	0.2
275.20044	0.3
277.21704	100.0
278.18964	0.4
278.22049	9.3
488.27832	7.4
488.34454	0.4
489.28030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	7.5
65.00191	4.6
65.64360	3.2
65.99722	4.5
70.07143	14.3
81.88640	3.7
83.01225	3.2
93.03322	9.2
95.01250	4.5
107.01275	10.0
109.02830	8.5
118.02878	3.7
121.02838	6.2
123.00756	7.0
125.02314	5.0
132.02029	12.0
132.02982	2.8
134.02348	12.3
134.03595	8.7
135.04379	3.6
137.02333	38.9
149.02269	4.0
151.00270	30.0
151.04001	3.1
162.01892	17.3
163.00250	9.2
164.03407	44.4
169.01280	5.3
170.07468	3.2
177.01823	29.6
178.99742	12.8
186.01920	16.4
190.01355	12.3
191.02118	3.6
199.03868	6.1
204.02989	29.2
211.03961	4.8
227.03398	10.4
229.04895	4.2
230.00838	5.4
242.01239	3.5
255.02864	24.5
256.03644	5.1
257.04498	8.9
267.02982	3.4
269.04416	19.6
270.04147	7.9
271.02466	11.6
273.03909	4.3
278.04413	5.2
279.02914	8.1
279.08755	8.0
283.02533	7.4
284.03101	9.8
297.03909	10.1
300.02698	11.3
301.03510	55.5
306.04099	15.8
314.04349	3.9
323.04349	18.6
323.07480	6.0
324.05072	56.0
324.08737	4.4
325.05206	6.4
341.05377	43.5
342.06180	25.9
350.08701	5.3
368.09976	27.5
394.07584	11.0
431.09644	4.6
437.75250	3.7
447.09271	25.7
470.11050	15.8
488.11942	100.0
489.12231	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	487.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06954	0.7
59.01245	2.9
61.58334	0.7
61.98708	1.3
63.23905	0.8
69.48187	4.8
69.48606	1.4
71.01257	3.0
79.00136	0.7
87.24744	0.7
91.38010	0.7
96.95898	0.8
101.02350	2.0
119.04911	100.0
120.05269	3.6
125.02357	0.8
134.03621	1.3
145.02795	1.0
163.03912	44.1
164.04280	2.0
169.01178	0.7
178.02734	1.0
224.64117	0.8
325.08920	0.9
412.87466	0.8
421.80908	0.7
487.14526	50.6
488.14697	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	487.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90702	0.8
53.54130	0.8
55.01758	1.4
58.00464	1.5
59.01249	42.2
61.98682	0.9
69.03328	2.8
69.45544	5.6
71.01250	27.9
72.99170	2.9
73.02805	10.5
81.03321	2.4
83.01254	3.2
85.02824	9.5
87.00755	1.8
87.74162	0.7
88.64974	0.7
89.02312	16.9
95.01245	1.8
97.02814	4.5
99.00753	1.7
101.02313	20.8
103.03883	17.8
106.06498	3.8
107.01269	1.0
109.02812	1.1
111.00818	0.9
113.02304	1.9
115.03907	0.9
115.46573	0.8
119.03399	8.2
119.04910	100.0
120.05263	4.3
124.01507	1.4
125.02339	22.8
127.03886	2.7
136.98793	0.8
140.12474	0.8
143.03462	2.0
145.04935	4.2
150.05496	2.2
151.00279	4.1
152.00841	0.9
163.00233	1.1
163.06017	21.3
169.01312	0.9
178.99751	3.4
205.07039	1.6
206.99231	1.0
241.08745	1.1
243.03011	1.0
244.03551	1.1
247.08183	6.3
270.04172	1.0
271.02490	2.3
272.02811	4.0
289.09387	1.2
298.03769	1.2
299.01862	4.7
300.02344	7.8
301.03128	1.5
307.10333	24.2
314.03946	1.1
323.03842	2.4
324.04715	1.6
340.04431	5.5
341.05048	3.4
356.04117	1.9
362.04361	0.9
447.08652	2.7
470.06915	0.8
487.10950	10.8
488.07758	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	487.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53682	0.6
59.00983	1.0
59.01247	10.5
60.30188	0.7
65.00185	0.8
66.14529	0.5
71.01256	5.2
71.06705	1.4
71.07087	1.1
72.99162	1.2
73.02819	1.2
74.27934	0.6
83.01273	1.2
83.90367	0.6
85.02808	2.4
86.11092	0.7
89.02305	3.4
92.84892	0.6
93.03333	0.7
101.02316	2.0
105.03284	0.7
107.01264	1.5
113.02303	1.7
117.03364	1.6
119.04910	64.5
120.05260	2.3
121.02829	0.7
123.00731	1.1
123.04463	1.1
125.02333	3.2
132.02068	2.1
133.02847	30.7
134.03621	1.3
135.04405	36.7
136.04750	1.1
137.02322	0.8
145.02843	2.9
147.04440	0.9
149.06003	1.6
151.00262	6.1
152.00568	0.8
159.04285	0.6
161.02347	100.0
162.02698	4.5
163.03917	23.0
163.11198	4.9
169.01331	1.9
175.03880	1.0
177.05487	2.8
178.99802	1.0
179.03407	28.4
180.03810	1.4
203.03378	1.4
220.03799	0.8
221.04510	3.8
233.06625	0.7
263.05560	1.0
263.11325	2.3
280.06113	1.0
280.54889	0.7
285.04044	3.1
287.02795	0.7
287.05502	3.5
289.07022	1.0
293.08676	1.1
299.01773	1.4
300.02426	2.1
301.03455	1.0
307.08368	1.7
323.07693	36.6
324.08237	3.2
335.17133	1.8
339.03891	0.7
341.05099	1.3
435.56839	0.7
443.13379	3.6
449.10699	1.9
487.12384	54.1
487.18326	3.4
488.12582	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	486.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26656	0.8
50.80900	0.8
52.09832	0.7
53.98375	0.7
59.01249	13.8
61.32028	0.9
68.63588	0.9
69.39088	0.9
69.39421	8.1
71.01256	7.9
72.99181	1.7
73.02825	0.9
75.19863	0.8
78.95780	10.5
79.95603	1.3
85.02818	1.8
87.00763	1.8
89.02323	7.8
93.03340	1.9
94.02828	0.8
96.95897	47.1
96.96849	21.1
97.95830	1.2
98.02353	100.0
98.20552	2.0
98.95479	5.6
98.96338	1.3
99.00765	3.1
99.01890	6.2
99.02680	1.8
101.02307	5.1
105.63055	0.8
113.02314	3.1
119.03391	3.1
125.02381	2.3
137.02333	3.9
141.01836	0.9
143.44394	0.8
144.01076	0.9
160.03964	2.0
161.04500	2.1
165.01923	1.0
179.05513	3.9
185.81471	0.9
225.14822	1.5
246.15038	2.1
258.52060	0.8
264.15967	6.4
265.16483	1.0
289.07217	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	486.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26656	0.8
50.80900	0.8
52.09832	0.7
53.98375	0.7
59.01249	13.8
61.32028	0.9
68.63588	0.9
69.39088	0.9
69.39421	8.1
71.01256	7.9
72.99181	1.7
73.02825	0.9
75.19863	0.8
78.95780	10.5
79.95603	1.3
85.02818	1.8
87.00763	1.8
89.02323	7.8
93.03340	1.9
94.02828	0.8
96.95897	47.1
96.96849	21.1
97.95830	1.2
98.02353	100.0
98.20552	2.0
98.95479	5.6
98.96338	1.3
99.00765	3.1
99.01890	6.2
99.02680	1.8
101.02307	5.1
105.63055	0.8
113.02314	3.1
119.03391	3.1
125.02381	2.3
137.02333	3.9
141.01836	0.9
143.44394	0.8
144.01076	0.9
160.03964	2.0
161.04500	2.1
165.01923	1.0
179.05513	3.9
185.81471	0.9
225.14822	1.5
246.15038	2.1
258.52060	0.8
264.15967	6.4
265.16483	1.0
289.07217	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	485.216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	60.1
61.98694	100.0
69.40887	47.5
71.01250	12.8
72.99164	7.7
96.95896	9.6
99.00770	11.9
121.50633	8.1
125.02310	15.3
143.24741	7.3
151.00308	9.6
165.05331	7.5
169.01341	12.0
183.57047	7.6
203.07304	9.1
211.02493	11.4
271.04593	21.7
439.71964	8.1
447.08914	14.0
472.88416	7.9
485.20682	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02136	1.0
63.02261	2.7
65.00182	5.2
69.88879	5.8
69.89260	1.9
83.01252	3.0
98.20494	1.1
100.96662	0.9
107.01254	7.2
125.02342	1.9
133.02827	2.0
142.02913	2.0
147.03149	3.3
151.00269	22.1
152.00957	0.9
158.57948	1.1
160.03987	2.3
161.02397	2.1
163.00252	1.1
169.01334	3.1
170.02365	2.6
172.03896	1.6
176.47820	1.0
178.99777	9.9
183.04434	1.5
183.43864	1.0
186.01909	2.3
199.03918	6.2
201.01909	2.4
203.03481	1.5
211.03949	2.6
214.01370	3.4
215.03409	3.6
223.03934	1.4
226.02625	1.0
227.03389	6.1
228.04176	1.3
229.05025	2.1
239.03392	3.3
240.04141	2.2
241.05089	1.6
243.02930	9.0
244.03268	1.7
255.02931	11.5
256.03574	3.9
257.04547	1.1
266.04538	3.9
267.02817	5.2
269.04538	2.9
271.02466	50.3
272.03101	12.1
273.03833	5.7
282.01218	1.3
282.04114	4.4
283.02493	4.5
284.03217	2.5
285.04034	3.2
293.03351	2.2
294.04050	13.3
295.02264	9.1
296.02930	2.2
297.04019	5.5
299.01950	100.0
300.02621	19.5
301.03308	14.7
302.03836	4.7
310.03561	7.2
312.02646	2.4
313.03461	8.0
322.03571	18.6
323.04327	12.8
324.05099	18.8
339.03778	49.8
340.04547	30.2
341.04730	2.3
419.09845	7.3
420.10071	1.2
446.08539	17.8
447.08896	1.7
448.09695	8.3
459.09488	1.4
486.10373	77.8
487.10657	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	485.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	8.0
61.98690	1.2
67.01746	0.9
68.99692	0.5
69.03323	0.7
69.51319	2.4
70.69048	0.3
71.01253	5.7
72.99170	1.1
73.02798	0.3
79.01765	0.9
81.03352	0.4
83.01247	0.9
85.02820	1.4
87.00732	0.7
89.02299	2.5
90.05993	0.3
90.12260	0.2
95.01250	2.3
96.99207	0.4
97.02830	0.9
101.02317	2.3
107.01260	7.6
109.02806	0.3
109.99956	0.5
111.00763	3.6
111.04485	0.3
113.02313	1.6
117.03362	0.7
121.02849	0.6
123.00762	13.8
124.01569	2.3
125.02330	34.6
126.02681	1.0
127.00233	1.2
134.35826	0.3
136.98706	2.0
137.02312	0.6
139.00244	5.0
139.03908	1.2
140.01050	3.9
140.90918	0.3
141.01875	2.1
145.02852	2.5
149.02391	0.3
151.00247	6.9
153.01819	0.5
154.99796	0.4
165.01833	1.1
167.03400	2.0
168.00543	14.2
169.01328	56.3
170.01656	2.6
177.05446	2.4
183.02994	0.5
193.01309	0.5
211.02414	70.8
212.02725	3.3
241.03438	2.4
253.03473	0.3
271.04572	86.2
272.04868	6.0
307.08194	1.4
313.05518	0.7
331.06702	7.4
332.06992	0.4
351.18423	0.3
470.17975	0.7
485.20242	100.0
486.20535	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	485.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02703	0.6
57.03323	0.7
59.01247	37.4
65.00184	0.7
66.53984	0.6
71.01245	4.4
71.58608	1.1
78.95766	1.1
83.01238	1.6
85.02811	1.3
87.00727	0.8
89.02307	1.2
95.01268	1.2
96.95860	1.3
101.02327	3.7
107.01278	1.6
107.04917	1.2
109.02823	1.1
109.89764	0.6
113.02321	3.9
116.45078	0.7
119.03417	1.3
123.00771	0.8
123.04386	0.8
124.01537	0.6
125.02315	4.3
125.05954	2.7
135.08080	1.0
136.05174	2.4
136.62823	0.7
136.81757	0.7
138.06734	0.6
139.07570	1.4
151.00282	6.3
151.03918	1.8
151.07532	2.5
152.00983	0.9
152.08318	2.2
153.01852	0.8
161.04478	1.3
161.09660	1.2
163.07578	0.9
165.09096	0.8
167.03510	0.8
169.01338	2.1
178.99771	1.9
180.15912	0.7
185.09587	1.0
186.10568	0.8
189.05479	0.9
189.09193	1.5
199.03891	1.2
201.12750	8.0
203.10741	5.7
204.11487	20.3
205.11823	1.2
219.13838	19.3
220.14191	0.8
228.11389	0.8
245.11792	3.9
255.02840	1.6
263.12854	100.0
264.13156	7.0
269.04401	1.0
271.02399	1.9
277.14450	0.8
283.02570	1.2
285.04007	3.1
287.12805	3.4
299.01849	4.1
303.05017	1.4
305.13840	4.8
339.03815	1.1
340.04523	2.3
425.18530	0.9
446.08490	2.0
449.10648	2.7
485.16898	2.3
486.10544	3.0
491.35843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31504	0.9
58.02847	11.4
59.01247	1.5
59.54687	0.9
61.98692	3.3
63.31475	0.9
66.03351	1.7
69.50494	7.9
71.01273	1.7
72.00787	1.1
74.02338	22.3
75.41742	1.0
81.04432	1.4
82.02853	3.3
83.41914	1.1
84.04417	1.2
86.02338	9.2
86.05987	1.7
86.98971	3.1
87.05510	5.0
90.00070	3.3
97.03946	2.3
98.20446	2.3
99.05518	19.2
100.00330	1.1
101.07086	3.1
102.05484	2.6
107.06004	1.3
109.03943	2.2
111.05518	2.6
112.03914	2.9
116.01662	2.0
123.05537	2.2
123.08030	1.3
124.24581	1.0
125.03416	2.3
127.05021	4.0
128.03421	57.6
129.03764	1.7
135.05530	5.5
137.07024	1.1
141.06592	5.7
143.04517	79.5
144.04871	2.2
145.06061	3.8
146.03506	1.1
146.04482	5.5
153.06604	4.9
155.08113	1.2
160.00652	21.4
166.09721	3.2
167.04582	5.9
167.08182	3.0
171.04028	1.1
171.07759	1.2
177.03336	9.1
179.04536	15.4
181.06116	2.7
185.05661	2.3
192.07675	1.9
197.05612	4.2
210.08768	14.7
211.13350	1.2
228.09801	1.9
242.07739	2.3
254.07793	27.2
255.08005	1.7
272.08887	44.1
273.09134	2.1
288.06561	14.3
306.07651	100.0
307.08020	5.4
477.24332	1.0
484.20923	3.7
485.20181	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	485.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43764	0.5
59.01252	2.8
71.01256	2.8
71.57929	0.9
75.77886	0.5
78.95771	19.8
79.95597	2.6
89.02307	2.2
96.95885	100.0
96.96839	40.1
98.02351	15.4
101.02324	1.1
108.02015	0.7
122.55522	0.5
123.00769	0.5
125.02361	1.1
137.02364	1.4
141.73911	0.5
152.00998	0.7
169.01361	0.9
171.01672	0.5
181.18871	0.5
191.83812	0.6
193.01387	1.2
215.84918	0.5
237.14914	0.6
264.15997	1.4
485.16479	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	484.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02847	11.3
59.01239	2.4
61.98697	3.9
66.03348	1.6
68.09439	0.7
70.02844	1.0
71.01238	1.7
72.00761	1.6
72.99151	0.8
74.02341	23.7
75.24004	0.7
78.95813	0.7
81.04450	1.7
82.02847	3.5
84.00776	0.9
84.04403	1.4
85.03963	1.2
86.02340	10.0
86.05991	1.5
86.98970	1.8
87.05511	6.4
88.03902	1.4
90.00038	1.3
97.03944	2.6
99.05513	22.2
101.07077	3.1
102.05482	2.9
107.06017	0.9
107.46212	0.7
109.03960	3.0
111.05504	2.1
112.02692	0.8
112.03909	1.9
113.03481	1.0
116.01637	2.2
119.04918	1.2
123.05517	2.1
123.08059	1.7
124.03935	1.8
125.02426	1.0
125.03472	1.9
126.01833	1.1
127.05018	4.2
128.03421	57.2
129.03766	1.2
129.99557	1.2
131.04555	1.6
135.05524	6.6
135.29852	0.8
136.09285	0.8
137.07095	1.3
141.06604	5.1
143.04518	83.9
144.01160	0.9
144.04846	1.1
145.06075	4.1
145.07086	0.7
146.04466	7.3
152.01132	0.9
153.06604	7.3
155.08150	0.9
160.00633	24.9
165.06610	0.8
166.09789	2.3
167.04546	5.5
167.08171	2.6
170.03209	1.2
177.03314	8.0
179.04547	20.1
180.04753	0.8
181.06082	2.3
184.10829	1.4
185.05614	3.2
192.07713	1.8
197.05644	3.0
198.08768	1.4
210.08800	15.6
213.03502	0.8
228.09746	0.9
242.07835	1.4
254.07796	32.9
255.08066	1.8
272.08865	49.9
273.09180	2.2
288.06555	14.1
306.07639	100.0
307.07944	5.6
367.53555	0.8
484.20755	2.5
485.20676	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	483.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	8.0
85.04524	0.3
96.96818	0.5
97.70005	0.3
111.24709	0.3
118.14956	0.3
150.97919	0.3
151.94914	0.3
152.99484	14.8
171.00534	1.4
227.03226	3.1
237.21953	0.3
245.04239	1.5
255.23253	100.0
256.23615	8.2
256.78949	0.3
483.27286	25.8
484.27603	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	483.187
Annotation	Globulusin A
Peak:m/z	Relative Intensity
55.01752	0.7
57.03308	0.3
59.01252	2.8
61.98692	1.2
65.00187	0.6
67.01749	1.0
68.99706	0.4
69.03327	0.5
71.01252	3.7
71.58580	0.5
72.99175	1.3
73.02805	1.3
78.95764	0.5
79.01762	1.2
81.03336	0.3
82.04607	0.3
83.01252	1.3
85.02820	2.4
87.00723	0.6
89.02313	0.8
95.01262	2.4
96.95894	0.8
97.02814	0.8
99.00787	0.7
101.02315	2.7
107.01279	3.3
109.02821	0.9
109.99963	0.8
111.00753	2.5
113.02340	1.9
118.32948	0.3
123.00768	15.4
123.04366	0.4
124.01550	1.0
125.02329	15.9
126.02651	0.5
127.00233	0.8
135.04375	0.6
136.98721	1.6
137.02328	0.8
139.00256	5.0
140.01062	3.8
141.01868	2.0
145.02835	0.6
151.00275	11.4
151.01506	0.7
152.99467	0.3
153.01837	1.0
154.99699	0.4
163.03865	0.8
165.01778	0.5
166.99820	0.3
168.00546	4.6
169.01329	20.3
170.01675	0.7
179.03398	0.6
181.04843	0.5
198.24605	0.3
205.04980	0.3
211.02348	2.2
253.03505	0.4
255.02966	0.4
271.02045	0.6
271.04895	1.6
277.16525	0.4
300.02695	2.1
301.03659	1.5
301.06430	0.3
313.05618	1.1
383.74881	0.3
423.22168	0.6
447.09311	2.9
483.18658	100.0
484.19019	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	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83550	0.4
68.11974	0.4
71.19907	0.8
78.95773	15.6
81.55766	0.4
85.60430	0.4
95.28506	0.4
96.96828	1.3
112.38959	0.4
150.97922	0.6
152.99484	28.1
153.99780	0.4
171.00562	1.2
227.03230	4.4
245.04305	0.9
255.23262	100.0
256.23611	7.3
264.47708	0.5
391.22354	0.9
396.25592	0.4
400.93814	0.4
483.27267	49.4
484.27530	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	483.1868
Annotation	Globulusin A
Peak:m/z	Relative Intensity
51.99147	0.4
55.01749	0.6
58.25364	0.4
59.01255	3.3
67.01753	0.5
69.03307	0.9
69.64822	2.7
71.01250	3.0
72.99170	1.6
79.01756	0.8
81.03308	0.4
83.01255	0.8
85.02824	1.4
87.00746	0.6
89.02316	1.2
93.03326	0.5
95.01273	2.0
97.02849	0.9
101.01710	0.4
101.02298	2.0
107.01270	3.7
109.02870	0.5
111.00770	2.2
113.02309	1.4
119.03399	0.5
119.04820	0.5
123.00764	14.7
124.01575	0.9
125.02334	16.4
127.00259	1.1
131.00797	0.5
135.04395	0.5
136.80943	0.4
136.98708	1.4
137.02293	1.1
139.00269	5.4
140.01056	4.2
141.01825	2.6
146.77141	0.4
149.02246	0.4
151.00269	13.2
151.01503	0.7
153.01788	0.7
154.99725	0.4
163.00227	0.9
163.03990	0.6
165.05481	0.5
167.03287	0.4
168.00578	4.0
169.01328	25.6
170.01660	0.9
175.03897	0.5
177.03932	2.4
178.99734	1.0
179.03378	0.5
181.04912	0.4
201.51920	0.4
211.02399	2.5
212.02719	0.5
227.03432	0.4
243.02844	1.0
255.02896	2.1
255.05212	0.8
271.02219	4.8
271.04709	1.6
283.02338	0.5
300.02725	13.1
301.03479	8.5
302.03897	0.8
313.05649	0.8
329.05322	0.8
447.09277	16.1
448.09708	1.9
483.18689	100.0
484.19034	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	483.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01256	3.0
60.19004	1.1
71.01247	3.7
71.56898	1.9
78.95771	20.4
79.95607	2.8
85.66867	1.4
86.15409	1.2
89.02301	2.5
96.95892	100.0
96.96846	42.1
98.02361	16.2
103.00266	1.5
111.00796	2.1
119.03393	1.4
123.00783	3.3
125.02348	7.8
139.00223	2.8
151.00296	2.0
153.01863	1.3
163.03856	1.3
167.07043	2.1
168.00604	2.2
169.01343	5.1
303.04984	1.6
313.05872	1.6
363.65704	1.4
483.11273	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	483.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47149	0.2
55.01753	0.3
57.03309	0.4
58.00464	0.4
59.01253	4.9
63.02293	0.3
65.00191	0.4
67.01756	1.0
67.98686	0.3
68.99673	0.5
69.03336	0.5
69.53077	1.9
71.01252	4.2
72.99176	1.2
73.02807	0.7
75.00719	0.3
75.72125	0.2
79.01763	1.1
83.01271	0.9
85.02834	1.8
87.00734	0.6
89.02336	1.4
93.03340	0.2
95.01265	2.8
96.95889	0.8
97.02826	1.3
99.00729	0.5
101.02328	1.9
107.01258	3.8
109.02844	0.4
109.99991	0.4
111.00755	3.1
113.02351	1.5
117.03354	0.7
119.04888	0.6
123.00768	17.6
124.01527	1.1
125.02341	19.6
126.02670	0.5
127.00291	1.1
135.04384	0.5
136.98711	1.8
139.00273	4.5
139.03922	0.3
140.01056	4.7
141.01839	2.8
145.02844	3.9
151.00275	12.7
151.03889	0.3
152.00591	0.6
153.01834	0.9
154.99693	0.3
161.02347	0.3
163.03911	0.5
165.05550	0.3
166.99756	0.4
168.00560	5.1
169.01331	24.9
170.01657	1.0
171.13786	0.3
177.03970	0.8
178.99690	0.3
179.03383	0.5
211.02396	2.4
214.01477	0.2
223.02461	0.3
243.02849	0.3
253.03511	0.5
255.02914	0.7
271.02042	1.4
271.05011	1.6
285.04028	0.5
300.02667	3.3
301.03455	1.9
307.08337	0.2
310.74445	0.3
313.05746	1.2
412.13181	0.4
447.09262	3.0
447.13742	1.3
448.09213	0.4
483.18689	100.0
484.19009	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	483.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	5.6
59.01249	14.9
61.49962	1.5
68.99706	2.6
71.01246	10.8
71.55988	2.9
72.99176	6.4
73.02813	4.3
75.00749	9.6
75.02462	3.0
78.95816	1.6
79.66478	1.6
83.01266	6.7
84.99215	1.9
85.00892	2.4
85.02830	2.9
87.00745	1.7
88.98653	1.7
89.02343	3.6
99.00756	5.1
99.02449	2.0
100.98674	2.5
101.02319	4.9
103.00260	7.0
107.01290	7.7
111.00785	3.1
112.98687	28.5
115.00233	2.1
115.01960	3.1
117.01785	2.7
119.04938	1.8
123.00732	3.5
125.02334	71.5
126.02680	2.2
127.00259	2.0
129.01854	3.6
139.00259	2.5
145.01334	39.4
149.99504	3.4
151.00264	10.8
157.01292	2.5
158.74792	1.7
161.04428	2.1
168.00542	11.0
169.01328	74.1
170.01601	2.6
171.00963	4.0
211.02428	3.7
231.03175	1.7
263.05652	14.9
271.04568	4.7
287.07751	5.6
313.05640	13.0
331.06702	19.7
335.04129	4.7
335.08020	2.1
339.12903	4.2
381.14233	3.1
391.06808	7.5
439.08701	22.2
451.08926	12.7
483.12311	100.0
483.17792	4.8
484.12744	11.4
488.32837	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	483.114
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
57.03286	1.4
59.01238	3.8
68.99663	1.5
69.03300	0.8
69.66843	2.0
71.01257	3.5
72.99136	0.6
73.02819	2.6
75.00739	1.0
82.95268	0.4
83.01261	2.2
85.02827	4.4
87.00723	1.4
89.02287	1.4
93.03320	0.7
95.01204	1.2
96.95881	0.8
99.00752	3.4
101.02316	2.5
102.02608	0.6
109.02853	0.6
111.00752	2.6
112.98711	0.5
113.01727	0.4
113.02335	4.3
113.99464	8.7
115.00286	5.0
117.03260	0.6
119.04912	27.9
120.05211	1.0
121.02820	0.7
123.04359	1.1
125.02360	2.2
127.00232	2.1
129.01790	1.4
137.02304	0.6
139.00203	1.3
141.01753	0.4
145.02843	0.8
157.01317	4.1
161.04549	0.4
163.03912	23.7
164.04199	0.7
166.99805	0.6
169.01328	2.6
174.01587	9.0
175.02261	1.4
238.12473	0.4
277.05621	15.8
278.05920	0.7
289.07202	1.2
295.63519	0.4
313.05316	0.6
337.07748	100.0
338.08145	5.7
338.15146	0.6
339.15399	1.3
351.32007	0.5
380.16385	0.7
381.16754	1.1
421.19870	0.5
483.11520	16.8
483.19531	1.9
484.11758	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	483.1141
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
57.03323	1.1
59.01251	2.8
63.06956	1.0
67.01742	1.4
71.01245	6.6
71.12992	2.2
72.99197	1.3
73.02853	1.6
80.91549	2.6
83.01263	1.9
85.02828	3.3
87.00741	1.9
90.91496	1.2
95.01266	3.2
97.02805	2.4
99.00761	1.6
101.02312	3.0
107.01273	8.1
109.02846	1.7
111.00754	6.8
113.02330	2.2
115.94292	1.0
123.00774	18.2
124.01572	4.0
125.02328	36.3
125.03238	1.9
126.02739	1.0
127.00272	2.1
127.56016	1.0
136.98708	2.4
137.02290	1.9
139.00267	30.7
139.03883	4.4
140.01053	17.7
141.01875	5.8
151.00227	8.6
153.01836	4.8
153.05432	1.2
154.02620	17.8
155.03436	5.1
165.05582	1.3
166.99796	3.1
168.00598	8.8
169.01331	44.8
169.02791	2.3
169.05025	8.5
170.01660	1.9
177.09134	1.9
182.02162	1.0
183.02907	12.3
211.02429	1.3
221.11821	1.5
225.03978	3.1
261.02075	1.2
285.06146	2.3
297.06100	3.0
313.05652	7.3
327.07407	6.5
372.35953	1.1
465.10425	1.6
483.11420	100.0
484.11707	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	483.0776
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.96951	0.5
51.41449	0.5
52.98819	0.5
69.03307	1.5
70.85191	0.6
70.85551	1.2
71.01250	0.8
72.38461	0.5
81.03345	0.5
95.01262	1.2
96.95866	1.0
97.02818	1.0
101.02345	0.5
107.01270	3.6
123.00773	2.2
124.01548	3.0
125.02323	100.0
126.02676	2.5
131.16098	0.5
139.00304	1.8
141.01747	0.6
151.00258	1.7
168.00548	5.6
169.01315	74.2
170.01663	2.2
194.99388	0.6
211.02425	0.9
229.33170	0.7
271.04678	1.0
287.07684	12.7
287.10880	0.7
313.05597	7.5
314.06070	0.7
331.06662	22.5
332.06976	1.5
439.08749	32.0
440.09274	3.1
465.06613	1.5
483.07635	7.9
484.08133	1.2
506.61868	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.114
Annotation	AMINOPTERIN SODIUM
Peak:m/z	Relative Intensity
55.01752	1.1
59.01245	1.7
60.21584	0.7
64.56918	0.7
65.00172	0.8
67.01741	1.8
69.52802	0.9
69.53200	4.9
71.01251	4.5
71.71185	0.7
72.99129	1.5
79.01767	1.0
81.72252	0.8
83.01251	1.4
85.02822	1.2
87.04380	0.8
95.01271	2.7
96.95886	4.9
96.96842	2.3
97.02810	1.3
99.00771	1.0
101.02328	1.4
102.28294	0.7
107.01270	9.7
109.02881	0.9
111.00762	8.1
113.02328	1.8
123.00758	15.3
124.01560	3.0
125.02328	45.3
126.02695	1.7
127.00246	2.6
136.98712	4.4
137.02281	1.7
139.00266	35.4
139.01357	1.7
139.03900	2.2
140.01053	15.7
141.01797	2.5
149.02316	1.0
149.45705	0.8
151.00246	7.4
151.03830	0.7
153.01840	2.7
154.02628	23.4
154.99777	0.8
155.03392	4.5
168.00566	15.4
169.01338	50.8
169.04984	5.3
170.01682	2.2
182.02100	0.8
183.03024	4.2
191.75807	0.8
211.02431	3.0
225.04008	0.9
246.81213	0.7
288.88571	0.7
297.06134	5.9
313.05667	14.9
314.05850	1.2
327.07153	2.2
343.19580	0.8
439.09122	0.8
468.09024	2.1
483.11404	100.0
484.11774	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	483.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64543	2.2
57.70290	2.3
65.00177	2.1
68.53214	2.2
100.79567	2.3
107.01267	6.5
109.02831	3.5
120.88260	2.5
121.02819	3.0
123.00784	5.6
125.02335	7.4
131.63200	2.5
140.00986	2.5
151.00288	16.5
163.00266	5.4
169.01309	9.6
178.99747	5.9
229.63960	2.4
243.02815	8.5
255.03011	22.9
256.03140	2.9
271.02487	46.9
272.02838	5.2
273.03867	2.6
283.02582	2.9
299.99426	5.3
300.02725	97.4
301.03455	68.3
302.03757	3.0
350.83438	2.7
410.95520	3.3
447.09290	100.0
448.09518	9.8
483.18683	25.6
484.08862	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	481.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59485	0.6
70.44457	2.8
78.79012	0.6
78.95770	62.0
87.50818	0.6
88.31441	0.7
89.61176	0.6
91.07211	0.7
96.96859	3.1
120.87684	0.6
124.19579	0.8
134.75175	0.7
138.75737	0.7
150.97893	0.9
152.99484	47.4
153.99786	0.9
168.04239	4.0
171.00548	14.1
182.48363	0.6
218.52109	0.6
224.06886	9.7
225.07240	4.8
227.03163	2.6
242.07973	2.4
245.04276	76.0
246.04498	1.8
253.21692	48.7
254.21989	3.1
255.23253	91.4
256.23599	100.0
257.23822	2.7
480.31027	7.7
481.25510	25.4
481.31381	32.0
482.26044	3.0
482.31985	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81487	0.6
78.95770	43.4
80.57126	0.6
87.51913	0.6
96.96846	3.4
97.47232	0.6
102.28687	0.6
111.42901	0.6
130.63412	0.6
138.63710	0.6
145.53392	0.6
152.99492	53.8
153.99858	1.2
170.04929	0.7
171.00554	17.7
227.03229	4.1
229.31113	0.8
245.04277	100.0
246.04567	2.5
253.21692	60.9
254.22035	5.1
374.50638	0.8
481.25681	38.4
482.26117	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	481.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.3
57.03324	33.4
58.00460	3.4
59.01249	100.0
65.61399	1.3
69.03336	1.7
69.34789	5.4
69.35210	6.8
71.00840	1.6
71.01250	59.9
72.99184	4.8
73.02818	70.7
75.00742	1.5
75.61717	1.3
79.05404	4.0
81.03326	3.1
83.01253	17.6
85.02829	6.8
87.00774	2.5
89.02311	32.3
95.01302	1.3
97.02823	2.1
97.06468	4.5
99.04393	21.4
101.02318	59.5
109.02813	2.5
113.02334	20.1
113.05943	4.4
114.70138	1.2
119.03389	13.6
123.04387	17.2
124.04776	1.3
125.02342	8.3
131.03418	2.0
141.05475	4.1
143.03415	3.7
149.04391	2.1
151.00177	1.3
152.03436	2.5
155.03366	1.4
161.04451	20.8
175.09641	1.9
179.05527	4.5
233.06548	2.2
263.07660	4.8
323.09940	3.9
337.15012	93.0
338.15240	6.3
379.16064	55.5
380.16263	4.8
419.19257	12.1
481.19250	91.5
482.19647	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12217	0.7
62.62622	0.8
70.09796	0.8
70.10136	3.4
74.35309	0.8
78.95772	59.0
96.96825	4.3
110.84889	0.8
150.97903	1.8
152.99487	96.3
153.14061	0.8
163.09395	0.8
171.00548	18.5
180.54718	0.8
227.03185	8.9
245.04279	71.8
246.04608	2.6
253.21698	51.3
254.22008	3.1
380.35489	0.8
405.19952	0.9
432.81595	0.8
481.25696	100.0
482.26044	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	481.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46313	1.1
59.01254	6.3
69.03317	1.4
69.46494	7.0
71.01254	4.7
72.99179	33.7
72.99580	2.0
73.02823	1.8
75.00754	3.0
78.95808	1.0
83.01260	2.0
85.02832	1.8
87.00763	4.6
93.03347	1.3
98.20518	2.1
99.00784	2.2
100.98669	1.5
101.02322	2.6
103.00237	13.0
107.01286	2.0
108.02062	5.2
109.02854	3.2
111.00777	1.3
113.02340	2.4
119.04928	1.3
121.02875	1.8
122.03690	1.8
123.00755	2.8
123.04382	2.0
125.02351	10.2
135.04440	1.2
137.02318	5.8
139.00249	1.1
139.03912	1.6
145.02817	1.5
146.03635	9.3
146.99213	5.1
147.04436	4.0
150.03149	1.0
151.00325	2.7
152.01086	4.0
153.01869	2.0
159.04434	3.0
160.05217	2.2
161.02379	1.6
161.05943	1.3
163.03967	3.4
164.04596	1.1
165.01775	1.2
168.00591	1.4
169.01341	9.2
172.05252	4.1
173.06003	3.0
174.03180	4.0
174.06793	1.6
175.03941	6.1
175.07549	1.1
176.04701	3.2
178.99788	1.7
179.03389	1.8
180.06465	1.2
185.06027	1.8
186.06889	1.9
187.03987	2.9
188.04701	7.5
189.05479	3.5
190.06227	6.5
200.04710	6.2
201.05469	1.9
202.06352	1.5
211.13330	5.9
212.04779	2.8
219.38612	1.0
226.06401	1.9
240.04269	1.1
259.13342	1.2
270.03915	3.2
271.13394	12.5
283.13400	10.1
284.14014	1.1
285.15051	1.4
287.16644	1.7
289.07089	1.4
289.14310	6.0
295.13669	1.2
297.15048	4.2
299.13016	3.8
301.14395	14.0
301.17386	1.3
302.14865	1.5
311.12967	1.8
312.51385	1.0
313.05646	3.3
313.14615	4.4
315.16003	12.8
316.16400	1.3
317.13940	2.9
319.15533	1.7
325.14343	13.6
327.16107	1.8
329.14069	4.4
331.15530	2.0
333.17267	2.3
337.14502	2.3
341.13745	1.6
343.15479	12.5
347.15125	3.6
355.15659	2.9
357.17010	1.5
361.16809	4.6
373.16589	3.2
375.18362	1.9
383.15198	1.9
387.14374	2.3
389.16125	1.6
391.17563	14.3
391.21759	1.1
401.16290	2.6
405.15796	2.3
407.17065	5.9
408.17413	1.0
419.17206	1.3
421.20923	2.1
445.15204	1.6
463.16013	7.1
481.17371	100.0
482.17715	12.9
484.75424	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1348
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
52.13731	1.1
54.31227	1.2
57.01763	1.3
58.43887	1.1
59.01241	8.8
60.49855	1.1
63.38552	1.2
67.07095	1.3
71.01238	6.2
71.56879	2.3
72.99169	2.4
73.02791	1.7
75.00739	3.0
79.01771	1.5
83.01261	3.5
85.02845	1.9
87.52706	1.6
89.02329	1.8
95.01266	2.7
96.95906	2.6
99.00768	1.3
101.02342	3.4
103.00233	1.4
107.01279	6.0
111.00745	6.3
113.02349	3.1
113.96172	1.5
119.03387	1.7
119.04876	2.3
120.05264	1.9
122.03623	4.6
123.00754	13.4
124.01564	1.3
125.02330	35.7
126.02663	1.3
135.04427	2.6
137.02348	3.1
139.00259	5.4
139.03914	2.2
140.01036	2.7
140.04239	1.4
141.01801	3.0
145.02863	1.9
149.02338	1.5
151.00290	11.9
153.01884	1.8
154.99770	2.2
163.03934	3.0
165.01826	1.2
166.99757	2.9
167.03391	2.3
167.07043	70.2
168.00638	2.5
168.07373	3.3
169.01335	50.8
169.02785	2.5
170.01682	2.5
179.03346	1.5
193.01303	1.4
235.77959	1.3
253.03709	1.6
280.77075	1.4
313.05630	28.3
314.05966	2.5
337.15033	4.3
379.15784	2.1
406.30667	1.3
468.53046	1.5
481.13513	100.0
481.18872	4.3
482.13959	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	481.1345
Annotation	CHEBI:67506
Peak:m/z	Relative Intensity
55.01762	0.6
57.03314	1.3
58.00451	0.4
59.01249	7.8
60.23800	0.4
63.05342	0.3
65.00202	0.5
67.01759	1.2
68.99675	0.5
69.03346	0.8
69.28423	1.6
69.28857	1.8
71.01250	6.3
72.99173	2.0
73.02824	1.1
75.00736	0.7
79.01768	1.6
83.01249	1.4
85.02821	1.5
87.00756	0.8
89.02309	2.9
95.01251	3.1
96.95876	0.5
97.02824	1.3
99.00757	0.5
99.04382	1.2
101.02316	4.3
103.00271	0.3
106.60178	0.4
107.01266	5.1
107.04901	0.5
109.02880	0.6
109.99989	0.5
111.00767	3.0
113.02316	2.1
117.37411	0.3
119.03387	1.0
119.04925	0.8
121.02837	0.4
123.00764	18.3
123.04414	1.0
124.01537	1.1
125.02331	24.4
126.02665	1.0
127.00256	0.7
129.01862	0.4
130.04163	0.6
131.03377	0.6
131.04892	3.0
136.98724	1.5
137.02342	0.8
139.00275	5.9
139.03819	0.5
140.01074	3.6
141.01826	2.7
142.52309	0.3
149.05977	2.5
151.00266	11.8
151.03918	0.5
152.00650	0.6
152.04645	0.5
153.01846	0.9
161.04451	1.5
161.08046	0.4
163.03946	0.8
165.01891	0.5
165.05499	0.9
166.99747	0.7
167.03423	0.6
167.07077	2.1
168.00562	4.5
169.01328	30.1
170.01717	1.1
175.02356	0.5
177.07593	0.4
178.99936	0.3
179.03365	1.1
181.01309	0.3
181.04897	0.5
193.01340	0.7
195.02888	0.5
211.02402	7.0
212.02802	0.6
253.03299	0.4
255.05054	0.9
261.61856	0.3
271.04605	6.1
272.04898	0.9
296.07379	0.4
312.07422	0.4
313.05594	2.9
337.11261	0.5
405.04703	0.5
423.11411	0.7
437.10797	0.9
449.90445	0.3
463.08505	0.4
481.13513	100.0
482.13824	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	481.1138
Annotation	Silydianin
Peak:m/z	Relative Intensity
54.67190	0.6
57.03316	14.0
59.01250	3.2
61.98701	1.5
63.02268	1.4
65.00180	4.8
68.20832	0.7
71.01251	1.3
72.99181	5.9
78.95811	0.8
81.03336	1.3
83.01252	6.8
89.02302	0.7
93.03362	0.8
95.01257	2.8
95.88644	0.7
98.18069	0.6
98.19750	1.9
100.98631	0.8
101.02314	1.9
103.00237	3.7
107.01271	5.4
108.02070	1.0
109.02837	1.5
111.00746	2.0
111.56622	0.7
114.05074	0.6
119.04833	0.9
121.02839	7.6
122.03619	1.4
123.00784	1.5
123.04391	1.0
124.01540	6.4
125.02332	100.0
126.02679	3.6
134.03662	1.1
135.04413	1.2
137.02335	1.8
139.00215	1.1
139.03883	2.0
143.04869	1.2
145.02856	2.0
146.03665	3.5
146.99242	2.5
147.00763	1.6
147.04361	2.2
149.02333	4.1
149.05917	1.4
151.00262	13.3
151.03802	0.7
152.01053	17.3
153.01831	4.0
158.03560	0.8
159.04424	2.9
161.02344	1.0
161.05984	2.3
163.03870	2.4
164.04639	2.0
169.01317	2.2
171.04401	1.7
173.06004	2.5
175.03874	1.1
178.99774	15.3
179.07028	2.5
180.00140	0.9
187.03914	4.3
188.04674	1.2
189.05435	2.3
191.03448	1.4
201.05420	2.3
203.07027	0.7
211.03912	1.6
213.05496	2.0
214.02605	0.8
215.03410	5.0
215.06973	1.1
216.04202	1.7
217.00475	0.8
217.04997	1.4
217.08650	1.6
227.03326	1.9
227.07025	0.8
228.07715	0.9
229.05000	5.4
230.05766	1.5
231.06573	1.9
245.04370	1.2
255.02890	2.7
256.03799	1.3
257.04504	8.8
258.05194	2.7
259.05984	1.1
270.03812	2.9
273.03992	7.4
274.04788	1.9
283.02487	5.3
284.03238	3.7
285.03864	1.5
300.41800	0.8
301.03601	5.8
302.04251	1.2
356.95831	0.7
407.11166	0.8
423.10953	1.0
435.10751	4.9
437.12277	2.5
451.10654	0.9
453.05438	1.1
453.11850	27.2
454.12122	2.9
463.10190	4.0
463.16266	2.5
481.11264	45.7
481.17239	7.2
482.11630	7.1
482.17569	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57387	0.7
55.01752	1.5
55.43311	0.9
57.03322	13.9
59.00954	1.8
59.01249	34.7
69.03328	1.9
69.29557	9.4
71.01252	26.1
72.99168	3.6
73.02818	21.9
75.00751	2.4
79.05419	1.5
81.03332	5.3
82.36532	0.9
83.01257	10.4
85.02793	4.3
87.00755	2.3
89.02309	12.0
95.01279	2.1
95.04913	1.6
96.95873	1.3
97.02805	1.4
97.06461	1.7
98.20540	1.7
99.00752	2.1
99.04376	6.3
101.02319	21.3
103.00237	1.1
107.01272	5.7
107.01910	1.1
111.00823	1.1
113.02327	8.4
113.05975	1.7
119.03372	6.3
123.00767	6.4
123.04408	39.9
124.04742	1.2
125.02334	59.8
126.02666	2.5
131.03403	1.3
137.02344	1.8
139.00273	2.3
139.03883	1.2
140.01050	1.7
141.01816	1.8
141.05461	1.3
143.03368	1.9
149.02342	2.0
151.00250	6.4
152.03421	2.4
153.01799	1.2
160.26851	0.9
161.04457	8.6
165.01840	1.7
167.03407	65.8
168.00555	3.2
168.03712	3.3
169.01329	60.4
170.01602	1.9
175.09721	1.4
179.05496	1.9
191.03392	2.9
211.02385	6.1
241.03540	2.4
258.10568	1.0
263.07568	1.6
271.04642	3.7
313.05640	49.4
314.05975	2.1
323.09964	1.6
329.08707	1.2
337.15027	47.1
338.15161	1.3
379.16046	27.5
380.16403	1.8
419.19296	6.9
439.03033	1.8
439.08734	20.5
440.09201	1.7
463.08658	1.3
481.09836	100.0
481.19150	31.4
481.26254	3.1
482.10123	10.9
482.19693	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	481.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51482	6.7
63.02258	11.4
65.00172	18.3
69.41811	61.5
71.01239	10.7
83.01257	15.6
83.85190	6.6
85.02859	11.6
93.03335	36.9
95.01255	18.0
98.20492	13.9
98.98106	7.3
99.00754	21.8
107.01263	22.9
108.02014	13.5
109.02843	12.6
111.00748	58.1
117.03323	10.6
123.00757	28.4
125.02351	38.2
135.00790	10.7
137.02292	20.6
139.00288	64.5
141.01802	17.7
145.02878	10.3
147.04390	7.6
151.00249	74.3
151.03932	9.6
152.01018	22.0
153.01828	33.6
157.01337	40.8
159.04425	9.5
161.02367	16.9
163.00269	24.2
166.99759	20.2
168.00458	9.1
168.02914	30.3
169.01317	37.3
171.04404	8.2
175.03949	9.3
177.01724	7.5
177.99048	7.1
178.99765	100.0
183.04436	17.5
187.04095	16.1
189.01936	12.3
191.03596	7.8
192.03957	7.8
193.01280	20.6
194.99181	15.5
197.00819	24.4
199.03763	8.2
201.05521	19.6
203.03481	10.6
206.99249	17.3
208.00066	8.7
215.03436	17.5
217.04800	8.4
219.02953	10.8
227.03506	34.0
229.04973	12.3
231.02951	25.7
235.02440	11.1
243.02902	18.2
245.04486	12.0
247.02489	17.8
255.02994	46.7
256.03424	8.7
257.04611	16.8
261.03909	18.7
271.02454	19.7
273.03989	40.6
278.04572	20.9
284.03076	13.6
289.03534	91.4
299.01917	23.5
300.02655	8.4
306.03885	13.0
311.63513	7.8
316.02090	11.3
317.02982	99.9
318.03793	20.1
319.04538	11.3
335.04230	30.7
336.05096	9.6
339.07108	10.9
345.08240	9.7
361.07773	54.4
371.06088	10.4
447.09076	11.4
463.08530	27.7
481.09677	52.4
481.16565	15.8
482.10812	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0985
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
57.03328	3.4
59.01242	7.4
69.03333	4.2
69.60979	9.3
69.61407	15.9
71.01248	10.1
72.99197	6.3
80.26760	3.4
83.01246	7.2
85.02821	8.5
95.01266	5.9
95.24387	3.4
99.00758	8.6
101.02321	5.8
105.33096	3.7
107.01243	14.5
109.02823	9.0
111.00746	13.1
113.02296	7.0
119.04885	4.6
121.02850	4.5
122.03625	9.8
123.00757	36.5
123.04438	20.0
125.02318	99.0
137.02327	9.4
139.00259	17.4
139.03845	5.0
140.01042	21.4
141.01843	25.8
149.02368	7.9
151.00249	38.8
151.03871	4.3
153.01826	7.8
165.01794	7.5
166.99712	12.6
167.03430	5.0
167.07088	7.1
168.00558	23.6
169.01340	100.0
170.01709	4.9
175.03864	4.3
177.01910	4.4
178.99684	9.2
181.01286	3.1
190.99693	6.8
191.03259	4.2
192.00426	4.3
193.01303	14.5
194.99379	4.3
215.03322	4.4
224.41977	3.3
283.02390	6.0
291.05054	5.8
301.03583	16.5
313.05661	22.1
319.04547	23.7
341.05051	9.6
437.10867	84.0
438.11307	7.3
463.08896	5.5
479.89484	3.5
481.09146	15.5
481.13620	35.9
482.09644	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49635	0.4
57.03314	1.4
59.01251	2.2
59.40955	0.5
63.11350	0.5
65.00195	1.4
67.01752	0.6
69.24893	4.7
71.01244	3.2
72.99152	0.5
79.01768	0.7
81.03325	6.9
83.01250	3.8
85.02804	0.6
95.01228	0.7
95.04886	1.2
97.02834	0.7
98.19802	0.8
99.04420	0.7
101.02316	0.8
107.01252	5.5
109.02863	1.2
111.00724	0.9
113.02330	0.7
123.00763	3.8
123.04400	42.7
124.01559	0.7
124.04733	1.4
125.02327	48.2
126.02691	1.6
133.22630	0.4
135.04495	0.6
136.98714	0.6
137.02315	1.4
139.00233	2.1
139.03888	0.8
140.01012	1.5
141.01869	1.2
149.02315	1.5
151.00259	6.5
163.03856	0.6
167.03401	93.2
168.00563	3.0
168.03763	3.2
169.01321	43.5
170.01619	1.7
175.00261	0.7
177.01779	0.6
178.02682	0.4
178.99779	1.5
179.03491	0.6
181.05005	0.7
181.95920	0.5
191.03406	6.3
206.99265	0.7
209.04472	1.5
211.02425	7.1
233.04428	0.7
241.03510	1.2
253.03572	0.5
271.04651	4.3
284.03516	0.4
313.05640	19.0
314.06003	1.0
317.02939	0.5
342.22211	0.5
439.08810	2.4
463.08347	0.7
481.09830	100.0
482.10190	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	481.0985
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
56.81126	1.0
67.01756	2.0
69.46947	3.9
69.47376	5.9
71.01244	6.6
73.02821	1.7
75.00743	2.7
78.95758	1.2
79.01761	1.4
85.02801	3.1
95.01269	3.5
96.95889	2.3
98.19788	2.4
101.02303	2.7
107.01273	8.0
108.02100	1.8
109.02794	3.6
111.00759	4.7
113.02329	4.0
121.02807	2.0
122.03617	10.3
123.00755	20.7
123.04391	13.1
124.01640	1.3
125.02325	54.7
127.00226	1.3
135.01309	1.0
136.98726	2.8
137.02321	3.5
139.00261	7.6
139.03889	2.4
140.01041	5.5
141.01802	3.4
149.02321	4.2
151.00249	12.7
153.01724	1.2
168.00557	7.6
169.01326	73.4
170.01654	1.9
176.28285	1.2
211.02332	1.8
211.56606	1.3
228.82869	1.4
253.03612	1.5
259.82535	1.1
297.06030	1.6
313.05670	15.1
319.04535	2.0
329.08917	2.6
383.02390	1.3
437.10840	100.0
438.11084	7.6
463.03885	1.4
463.08755	53.8
464.09201	7.1
481.09827	83.8
482.10336	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	480.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74816	0.3
78.95771	23.4
90.28825	0.3
91.72581	0.3
96.96823	1.1
152.98302	0.5
152.99496	10.1
168.04211	2.6
171.00578	2.2
224.06870	7.9
225.07188	0.4
227.03175	0.4
237.22191	0.3
242.07968	1.7
245.04271	13.6
253.21701	9.2
255.23256	100.0
256.23590	8.5
304.55673	0.3
339.05508	0.3
480.30951	23.7
481.25607	5.7
481.31543	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	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43706	3.4
57.03318	7.4
59.01254	37.7
61.98699	52.3
68.27506	3.6
69.44917	24.9
69.45329	8.1
71.01248	25.8
72.72574	3.2
72.99175	56.4
73.02814	4.0
75.00743	11.0
75.53234	3.2
83.01246	5.8
85.02815	6.2
87.00736	5.2
89.02318	21.1
90.01865	7.0
91.00249	47.0
93.03336	6.1
95.01257	6.3
97.02846	5.6
101.02318	10.0
107.04904	11.0
109.02820	20.4
113.02338	15.0
119.03368	4.7
121.02847	4.2
122.03630	3.9
123.00817	5.9
123.04404	77.0
124.01553	3.8
125.02308	21.6
135.04381	8.6
137.02310	7.9
138.03096	7.5
139.00227	5.8
139.03874	7.2
149.02309	4.5
150.03094	12.1
151.00255	8.4
151.03897	14.9
153.05455	20.0
163.03935	10.8
165.01843	7.1
165.05498	25.1
166.99841	3.8
167.03365	9.1
169.01305	15.5
177.01846	8.8
178.02617	12.6
178.99739	8.9
179.03346	6.1
193.04974	49.8
195.06558	4.5
209.11725	5.5
211.02449	4.4
225.14864	18.3
229.67252	3.8
257.08118	4.1
289.07059	11.0
299.02164	5.3
315.08884	6.0
316.02328	7.1
317.03079	8.1
317.06625	15.8
317.10211	100.0
318.10779	7.0
327.10596	6.1
479.12256	31.4
479.24918	16.0
480.12384	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	479.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18112	0.3
55.60645	0.3
59.01232	1.0
62.20825	0.3
69.03340	0.5
71.12283	1.0
78.95784	0.3
125.29002	0.3
125.39655	0.3
141.01530	0.3
155.10626	0.4
167.14290	0.6
183.13828	6.3
193.12263	2.4
211.13329	100.0
212.13686	5.5
232.97548	0.6
254.22044	0.6
285.17035	0.6
338.92679	0.3
349.39908	0.3
369.24643	0.4
387.25339	2.9
435.27539	0.7
436.27478	0.3
461.29111	1.9
462.29221	0.4
479.29852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50051	3.0
59.01249	6.8
65.99718	8.1
69.47488	12.3
69.47922	12.8
71.01245	4.9
72.99179	53.2
75.00756	3.7
83.01272	3.3
87.00781	6.1
90.21349	2.7
93.03358	9.1
95.01270	11.5
97.02861	2.8
99.00764	4.9
103.00266	15.2
106.02879	6.8
107.01282	6.1
107.04910	7.5
109.02854	16.3
109.03503	3.0
111.00776	34.9
119.04918	7.3
121.02850	9.4
121.30252	2.9
123.00773	33.6
123.04424	13.0
125.02343	24.4
132.04422	8.6
133.02852	6.9
134.02406	9.7
135.04433	10.3
136.03920	5.1
137.02350	6.1
139.00256	19.3
139.03963	5.0
140.01086	11.0
141.01738	3.5
146.06035	3.3
146.79453	2.9
146.99210	3.2
147.04471	8.6
148.03986	4.6
149.05977	8.6
150.01848	7.6
151.00267	11.6
152.03398	3.8
153.01866	8.8
162.01926	7.3
163.03941	9.0
164.03413	3.3
165.05489	55.2
166.99844	9.6
168.00626	4.7
169.01328	22.0
174.05501	6.5
175.03937	9.1
177.05528	6.3
178.01370	12.2
178.99815	7.4
179.03401	17.9
180.02982	8.4
181.05013	9.9
185.00882	4.5
186.05463	5.1
190.01311	4.3
193.05005	13.4
202.04967	4.6
204.06601	11.9
206.00862	33.0
209.04633	4.3
211.02483	6.0
220.06071	4.8
224.01901	12.1
244.32358	2.9
255.05070	100.0
256.05533	7.9
271.04517	19.5
283.04630	7.5
292.56808	4.1
294.06235	16.0
310.05841	4.0
312.07254	40.5
317.06473	3.7
324.18304	3.2
390.08057	4.0
407.06378	7.7
422.04843	3.4
444.05869	6.3
462.06577	18.9
480.06979	17.7
481.13754	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1196
Annotation	Ampelopsin 3'-methyl ether 4'-rhamnoside
Peak:m/z	Relative Intensity
59.01247	4.5
64.43442	0.3
67.01744	0.4
71.01252	2.4
71.38174	0.7
72.99197	0.6
79.01755	0.9
83.01247	0.6
85.02814	0.8
87.00755	0.4
88.85757	0.4
93.03324	2.4
95.01266	1.2
96.95879	1.7
96.96828	0.7
97.02811	0.6
101.02317	1.1
101.18223	0.4
107.01269	5.5
111.00750	1.3
113.02345	1.1
119.04914	0.9
121.06464	2.0
123.00769	9.2
124.01572	0.8
125.02330	28.9
126.02637	1.1
127.00230	0.5
130.15497	0.4
136.98701	0.7
137.02242	0.3
139.00285	2.9
140.01068	2.3
141.01802	1.3
151.00269	6.6
151.03838	0.5
153.01817	0.7
165.05484	10.9
166.05806	0.6
166.99692	0.5
167.03517	0.4
168.00529	3.4
169.01332	36.3
170.01665	1.5
179.03503	0.4
203.66051	0.3
211.02435	5.5
225.31616	0.3
241.03577	0.9
271.04562	11.1
272.05209	0.4
313.05637	10.0
314.06064	0.8
331.06659	1.8
448.98721	0.4
461.10901	6.3
462.11490	0.4
469.01611	0.3
479.11908	100.0
480.12268	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1193
Annotation	Ampelopsin 3'-methyl ether 4'-rhamnoside
Peak:m/z	Relative Intensity
59.01243	11.3
59.54340	1.0
67.01762	1.6
68.29999	1.1
69.03316	1.5
69.49036	10.0
71.01229	5.8
73.02805	1.4
79.01762	2.7
83.01263	1.7
83.38211	1.1
85.02805	1.8
93.03330	6.3
95.01253	3.2
96.95890	3.2
97.02831	1.3
101.02292	2.6
107.01266	14.5
111.00737	4.1
113.02296	2.8
114.15122	1.0
119.04923	1.5
121.06450	4.8
123.00759	27.8
124.01560	4.1
125.02334	79.4
126.02669	2.7
127.00250	1.7
130.67245	1.1
136.98677	3.1
139.00256	7.4
140.01051	6.2
141.01805	3.8
148.10406	1.3
151.00270	15.1
153.01730	1.2
165.05484	28.7
168.00517	6.7
169.01329	100.0
170.01648	3.3
202.92699	1.3
211.02415	12.8
223.02399	1.3
271.04651	9.8
313.05637	23.4
314.06140	1.8
331.06647	1.4
461.10861	9.3
479.11917	89.1
480.12344	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	479.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	14.6
61.12005	6.4
63.05271	6.5
65.00186	22.0
69.92958	6.9
70.33308	14.6
70.33663	17.6
71.01221	10.9
74.94305	7.8
75.00744	26.2
79.01742	6.7
83.01225	16.0
93.03323	24.4
95.01253	12.7
96.99174	8.2
107.01272	10.7
109.02826	25.3
109.99973	8.4
111.00755	20.5
117.03352	9.9
121.02826	14.2
123.00768	15.0
123.04327	9.4
125.02320	35.3
127.00234	26.3
132.02039	13.2
133.02887	11.0
137.02328	49.7
139.00256	30.3
139.03845	10.6
141.01678	6.2
145.02834	8.7
149.02380	17.8
151.00259	61.5
152.00975	10.5
153.01825	12.3
154.99765	100.0
155.03328	9.9
159.04320	8.0
161.02408	12.9
163.00240	11.6
164.98219	9.2
165.01865	19.8
165.98949	16.3
166.99806	31.1
168.00453	10.1
169.01341	9.6
171.04439	15.6
177.01860	53.3
178.99797	35.0
179.03406	7.5
179.33878	6.7
181.01341	48.8
187.03851	12.4
193.01369	11.6
194.99229	33.3
195.02953	16.1
199.03955	7.2
203.03482	9.2
205.01347	7.9
209.00775	9.0
215.03479	15.0
219.02846	14.9
227.03487	20.6
241.05234	10.5
243.02951	20.1
255.02917	26.6
257.04538	9.3
259.02640	8.3
269.04474	10.2
271.02429	22.8
275.05042	10.0
284.03113	20.4
285.04071	66.4
286.04608	14.6
287.01807	41.6
289.03528	10.8
297.04047	36.2
301.03482	21.5
302.03870	9.4
314.04047	10.9
315.01434	46.4
315.05038	23.3
332.01666	26.6
332.05194	12.4
333.02396	38.1
333.06058	16.2
341.08911	10.5
359.06094	27.4
359.10007	10.4
431.09677	16.1
479.08081	44.5
479.12198	29.6
479.32156	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	479.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01344	2.0
57.50206	1.5
59.01238	4.9
63.00869	1.5
63.02248	2.0
65.00186	6.0
69.76469	11.5
81.85236	1.9
83.01239	2.4
84.46107	1.6
95.01258	3.6
96.00166	2.1
99.00809	2.4
106.00491	2.9
107.01273	7.9
109.02818	11.1
109.29999	1.8
109.99943	2.4
111.00745	9.7
123.00753	8.2
124.01540	3.3
124.98638	2.7
125.02302	6.4
133.02768	3.3
135.00714	1.9
136.98738	2.2
139.00264	12.0
141.01833	3.1
143.04855	2.2
147.04393	3.1
148.01534	2.1
149.02315	3.9
149.99489	5.8
151.00281	25.6
152.01022	4.4
153.01845	7.7
154.99779	3.2
159.04408	3.3
161.02393	4.4
163.00206	2.1
163.03978	2.0
164.98195	2.0
165.98952	3.1
166.99748	3.7
168.00565	7.5
169.01305	5.0
171.04391	2.7
173.02419	3.0
175.03888	8.0
177.01845	3.2
177.98975	7.1
178.99767	46.2
181.01346	3.8
187.03931	5.8
189.01816	4.0
192.00528	2.5
194.99252	4.9
195.99728	2.1
199.03902	5.4
201.01872	2.7
203.03415	6.2
204.97769	2.2
205.01396	3.2
214.02585	2.7
215.03334	5.7
217.01338	3.0
219.02896	2.0
222.98788	3.0
226.02754	2.0
227.03358	2.7
229.01433	2.7
231.02902	5.7
232.03671	10.8
233.04491	15.9
243.02945	8.1
245.00848	4.1
245.04553	7.6
247.02364	4.2
258.01648	2.4
259.02411	7.5
261.04037	10.3
261.29398	1.8
270.01334	2.5
271.02432	20.5
286.01083	2.7
287.01944	33.0
288.02463	8.6
289.03540	15.5
297.00388	3.0
299.01880	6.7
305.03284	1.9
314.00647	3.1
315.01459	100.0
316.01776	10.4
317.03006	2.0
327.07407	4.1
332.01578	15.5
333.02444	20.5
339.07007	5.4
343.06796	9.2
344.07245	2.1
379.10379	3.2
380.10617	2.3
407.09674	3.6
435.09204	5.0
451.08682	2.5
461.07062	9.1
478.52914	2.0
479.08246	53.3
480.08572	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	479.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	3.0
65.00183	3.4
70.34778	3.5
70.35141	3.2
71.01250	3.3
79.02733	1.2
83.01255	2.7
84.52155	1.3
90.77111	1.3
95.01243	4.7
97.02815	1.5
101.02333	1.5
101.61076	1.4
107.01240	4.7
109.02825	11.8
109.99935	6.4
111.00732	6.1
123.00764	7.1
123.04351	3.1
124.01513	5.1
125.02323	24.7
126.02620	2.1
127.02675	2.0
133.02797	2.1
136.98666	2.7
137.02315	6.2
137.99467	2.6
139.00258	12.5
139.03874	1.4
145.02798	2.0
146.03549	2.0
149.02234	3.5
151.00273	17.6
151.03799	2.2
152.01085	7.6
153.01804	3.4
159.04408	1.7
161.02364	2.2
161.05887	1.7
163.00264	6.9
164.01021	5.0
165.01830	3.2
165.98941	7.7
166.99751	7.8
168.00470	1.6
169.01335	23.7
170.01591	2.4
171.01761	1.7
171.04373	3.4
175.03938	2.1
178.99809	13.7
179.03412	1.5
183.04419	1.9
185.05850	1.4
187.03864	6.1
194.77156	1.3
198.03043	1.8
199.03862	5.3
201.01828	3.3
202.02342	1.9
203.03401	4.7
203.07002	1.5
203.22878	1.5
208.02452	1.9
214.02559	6.2
215.03419	7.8
216.04166	1.9
226.02672	1.8
227.03432	9.7
230.02197	1.6
231.02885	5.4
241.01271	2.0
242.02113	8.6
243.02936	15.0
244.03407	3.0
245.00787	1.9
255.02910	5.8
257.00751	2.3
259.02328	5.2
270.01614	9.6
271.02423	48.6
272.02902	8.8
273.03961	6.8
287.01941	24.9
288.02628	10.8
289.03473	2.3
289.07126	5.4
298.00909	1.8
298.98669	2.5
299.01935	36.0
300.02133	4.5
313.05511	1.7
315.01263	2.1
315.05991	1.6
316.02185	75.6
317.02911	42.3
318.03229	3.8
328.08063	2.2
435.08716	1.5
441.08118	2.3
461.07053	3.9
479.08167	100.0
480.08609	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	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54205	1.0
59.01247	93.2
65.20845	0.9
69.03317	1.0
69.93186	5.7
71.01244	16.6
73.02810	6.1
75.00737	7.2
78.95776	1.2
83.01252	2.1
85.02822	5.3
89.02311	7.3
90.22756	1.0
96.95869	2.3
96.96835	2.1
97.02835	1.9
98.20541	1.3
99.00742	2.6
101.02305	7.8
101.50197	1.0
107.01327	1.0
113.02310	4.6
119.03403	1.9
119.04909	13.2
121.02819	9.6
123.00784	1.9
125.02337	11.4
133.04979	3.3
135.04480	1.3
138.01811	1.0
140.01019	1.4
151.00293	2.4
153.01855	2.0
157.05000	1.4
161.04454	12.9
163.03908	7.3
166.06248	76.8
167.06586	2.8
169.01321	16.0
175.02353	2.2
181.08607	100.0
182.08946	4.0
183.06525	1.0
223.09650	1.1
233.06549	1.8
235.08188	8.7
313.05618	8.3
402.71564	1.1
417.17679	5.3
424.27756	1.1
477.10272	19.3
478.10324	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	477.1777
Annotation	Bidenoside B
Peak:m/z	Relative Intensity
55.01773	0.6
57.03321	0.4
59.01250	13.9
61.98710	1.0
69.45626	0.4
69.45950	3.3
71.01251	5.3
72.01593	0.4
72.99174	1.3
73.02812	1.5
75.00746	1.5
79.01764	0.6
83.01264	0.8
85.02820	1.6
87.00749	0.5
87.04398	2.9
89.02312	2.6
90.19737	0.4
93.03333	6.9
95.01272	0.8
99.00740	1.1
101.02306	3.0
103.00240	1.2
107.01263	0.6
107.04887	0.9
108.02056	0.5
109.02832	1.0
113.02320	2.3
117.03368	0.5
119.03382	0.7
119.04913	5.2
121.02831	1.3
121.06499	1.1
123.00744	1.0
123.04420	0.7
125.02301	2.0
135.04419	0.8
137.02390	0.4
143.03343	0.4
143.04912	0.5
145.02855	0.8
145.06459	0.5
146.35342	0.4
147.04395	1.9
149.02348	0.7
151.00278	2.9
151.03888	1.3
152.04694	43.4
153.05000	2.3
161.02388	0.8
161.04460	3.4
163.03891	0.9
165.01839	1.6
165.05478	16.7
166.06125	0.8
167.07043	100.0
168.07376	4.3
169.01349	1.9
171.32741	0.4
176.04663	1.4
177.01842	1.4
177.05417	0.6
178.02553	0.5
178.06244	0.8
178.99799	1.0
179.03418	2.3
179.07033	0.6
180.04181	5.0
183.13766	0.4
184.03764	0.7
187.03917	0.5
189.05525	0.5
191.03409	0.5
193.01295	1.2
193.04996	1.5
194.05768	22.2
195.06122	1.1
203.03491	0.6
206.05791	1.2
206.97417	0.4
209.08124	22.7
210.08469	0.8
216.04382	0.5
218.05835	0.4
221.08136	2.4
231.06696	0.5
233.08038	0.6
243.02826	0.6
249.07822	0.5
251.09129	0.5
255.02808	0.4
257.04529	0.7
269.04385	0.5
269.17581	7.2
271.02521	0.7
271.06110	0.7
273.07578	0.6
285.04007	2.9
292.97650	0.6
296.06973	0.5
300.02710	1.7
300.10117	0.9
301.03497	7.6
302.03851	1.2
303.04108	0.6
309.09772	0.6
311.11346	5.5
314.04315	2.7
314.07767	0.6
315.05090	5.3
315.12366	35.3
316.05283	0.5
316.12686	3.5
329.12363	5.3
330.12564	0.6
371.14835	0.4
417.24945	5.0
421.12021	0.4
445.07669	0.8
459.09378	1.7
477.13553	6.5
477.18970	1.8
477.30554	1.4
478.19299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1765
Annotation	Bidenoside B
Peak:m/z	Relative Intensity
59.01243	8.7
61.98689	0.9
69.40194	1.5
69.40601	5.1
71.01254	2.8
72.99167	0.7
73.02783	1.0
75.00755	0.8
79.01786	0.8
85.02830	1.4
89.02322	1.0
93.03325	15.8
93.65322	0.7
98.20557	1.3
101.02307	1.6
106.40841	0.7
106.41536	0.7
113.02338	0.9
119.04926	7.7
123.04462	1.0
125.02314	0.8
133.85249	0.7
135.04437	1.9
150.03067	0.8
151.03918	3.0
152.04707	7.3
165.01837	1.1
165.05496	3.5
166.06204	0.9
167.07039	8.4
169.01315	0.8
174.31905	0.7
177.01901	1.1
178.02654	2.0
178.06267	2.0
179.03416	11.7
180.04204	29.7
184.03627	1.6
193.04979	8.7
194.05766	75.2
195.06139	4.5
206.05682	3.3
207.06554	0.8
209.08121	96.9
210.08450	5.6
221.08124	8.3
241.00121	0.7
283.09946	0.9
299.09250	2.7
300.09946	5.4
301.10709	1.7
315.12369	93.0
316.12650	8.1
417.25003	0.8
442.74063	0.7
462.15112	0.9
477.17624	100.0
478.18021	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	477.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.9
55.04587	0.6
57.69067	0.5
58.52241	0.6
59.01245	22.9
61.98700	0.9
67.01756	1.0
71.01254	6.5
72.99172	2.4
73.02818	1.3
75.00736	1.6
77.61935	0.6
79.01760	11.2
81.03338	0.8
83.01224	0.8
85.02810	2.6
87.00723	1.1
89.02311	3.2
91.05399	1.3
93.03338	1.3
94.05005	0.6
95.01268	1.2
97.02824	1.4
98.19781	2.2
99.04411	4.1
101.02317	4.0
103.00241	2.2
107.01260	0.7
107.04872	1.2
108.02007	0.9
109.02831	9.6
111.00731	1.1
111.04390	2.0
113.02303	3.2
116.09781	0.7
117.03348	2.0
119.04913	58.9
120.05183	1.5
121.02854	1.2
122.03602	1.0
123.00774	2.0
123.04392	11.0
125.02328	3.6
125.66216	0.6
127.03901	14.4
133.02797	0.8
134.03589	1.3
135.04410	63.3
136.04680	3.1
137.02313	1.0
139.00278	1.3
141.05499	0.8
145.02817	1.2
147.04384	1.0
149.02292	1.9
149.05948	1.1
151.00285	2.0
151.03920	7.1
153.01749	0.7
153.05481	11.0
161.02353	4.3
161.04419	3.4
163.03900	2.4
165.01823	0.7
165.05443	1.0
166.99753	2.0
167.01077	0.8
167.03374	1.1
169.01320	4.4
169.04976	3.0
177.01820	5.2
177.05553	0.6
178.02657	0.6
179.03410	51.3
180.03745	2.1
183.13857	1.3
187.04010	0.9
189.05656	0.7
190.02611	0.7
191.03389	3.3
193.01282	1.1
193.04974	2.6
195.01163	1.4
195.02917	26.6
196.03235	2.0
197.04466	1.4
201.09149	0.8
204.04187	0.8
205.05013	5.0
217.04880	0.7
220.03671	1.1
221.04488	2.0
231.06429	0.7
269.08264	1.2
271.02460	2.8
271.05841	1.1
273.07617	1.0
291.08606	0.7
292.09482	1.1
297.07596	7.6
298.07977	0.8
299.01920	2.5
313.05780	2.0
314.04254	2.7
314.07773	1.6
315.05399	4.0
315.08716	100.0
316.09106	7.7
356.83725	0.7
417.24945	6.2
459.09427	0.7
477.09726	3.3
477.13861	6.8
477.20242	2.1
477.30249	1.7
478.14468	1.1
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
50.26286	0.4
51.65042	0.3
55.01767	0.6
59.01247	1.4
70.35722	1.2
71.45453	0.4
79.01762	17.8
91.05402	2.0
101.02310	0.5
107.04948	0.6
109.02834	2.0
111.04382	2.6
112.04829	0.4
112.95559	0.4
132.05310	0.4
134.03625	0.6
135.04408	100.0
136.04750	3.1
151.03900	1.0
153.05481	4.8
161.02385	1.8
164.04645	0.7
176.22763	0.3
177.01741	0.4
179.03410	81.0
180.03738	3.4
192.04245	0.6
193.04999	1.2
197.04472	1.7
224.03288	0.4
315.08722	80.9
316.09009	8.1
320.82663	0.4
323.07639	0.6
417.24554	0.9
468.45624	0.4
477.14001	21.6
478.14325	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	18.1
61.98726	1.2
65.00202	3.3
71.01244	5.3
71.58516	1.6
72.99165	1.6
73.02840	1.7
78.95775	1.3
81.72813	1.2
83.01266	2.8
85.02832	2.0
89.02342	2.4
93.03341	8.5
101.02327	3.8
107.01258	3.4
113.02386	1.8
117.03307	1.3
119.04900	7.8
121.02884	1.3
125.02344	3.7
135.04417	2.7
137.02405	1.2
138.01833	2.0
145.02867	3.5
145.06505	2.7
151.00258	6.4
152.04666	2.7
161.04507	1.4
163.03928	3.3
165.01785	1.5
167.07077	4.3
169.01379	4.7
169.06519	1.1
171.04478	1.9
179.03384	11.8
180.04079	1.8
195.06578	2.9
209.08142	35.3
210.08527	2.0
211.07567	2.7
213.05492	6.5
221.08191	2.6
239.07104	1.1
255.06607	100.0
256.06985	6.3
269.04553	1.6
279.06613	1.2
297.07721	4.5
300.06375	1.2
313.05823	1.7
314.11057	1.5
315.08698	5.2
315.12320	11.9
330.02936	1.1
331.03336	1.6
340.50110	1.1
417.11942	3.3
417.24814	1.3
446.69864	1.1
462.17044	2.2
466.38345	1.2
477.10236	4.5
477.19238	5.7
477.27133	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.7
59.01248	2.0
61.98695	0.2
69.46434	1.7
71.01256	1.4
71.84457	0.3
76.87638	0.2
79.01762	16.6
80.02065	0.3
85.02802	0.5
85.06458	0.5
89.02320	0.9
91.05404	1.7
97.02850	0.3
100.38932	0.2
101.02316	1.0
107.04877	0.5
109.02840	1.7
111.04401	2.7
113.02299	0.6
118.97985	0.3
119.03345	0.5
119.04916	0.4
121.02859	0.5
123.04424	0.3
125.02362	0.3
131.03448	0.4
133.02818	0.4
134.03618	0.8
135.04413	100.0
136.04739	3.6
137.02361	0.4
151.02768	0.2
151.03920	1.0
153.05487	5.1
155.68269	0.2
161.02330	2.0
161.04425	0.4
163.93042	0.2
164.04684	0.4
165.01979	0.5
169.01413	0.4
179.03416	82.0
180.03741	3.4
193.04945	1.3
196.64919	0.3
197.04457	2.1
205.04990	0.7
224.03304	0.4
297.07846	0.8
315.08722	84.9
316.09052	7.6
417.25143	0.4
477.14142	11.3
478.14560	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	477.1401
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
55.01747	1.0
58.87464	0.6
59.01249	12.1
60.81564	0.7
61.98687	1.1
62.34533	0.7
64.74847	0.6
70.98716	1.8
71.01248	7.7
72.99174	1.7
73.02805	2.5
75.00739	1.9
79.01763	15.4
80.02095	0.7
83.01259	1.5
85.02831	3.7
85.06464	1.0
87.00749	0.9
89.02326	4.3
93.03326	1.4
95.01259	1.1
97.02828	1.1
99.00743	2.1
101.02311	5.6
102.82458	0.6
107.01270	0.9
107.04878	1.7
109.02836	4.9
109.24254	0.7
111.00776	1.2
111.04389	1.3
113.02322	2.7
117.03295	1.0
118.97987	1.7
119.04890	3.2
121.02840	4.2
123.00766	1.1
123.04404	1.2
125.02338	6.8
133.02838	1.5
133.60204	0.6
134.03593	3.0
134.07289	0.6
135.04408	88.4
136.04695	3.6
137.02371	2.2
139.00273	1.0
143.03432	0.7
143.75810	0.8
145.02885	4.2
146.42017	0.7
147.04422	1.9
149.02336	2.7
149.04402	0.7
149.05879	1.5
150.03140	2.1
151.00250	2.0
151.03880	2.3
153.01811	1.2
153.05492	4.4
158.03593	0.8
159.04428	0.9
159.31920	0.8
161.02310	2.0
161.04454	2.5
161.05760	0.9
163.03865	1.5
164.04643	1.9
165.01860	6.0
165.05482	1.6
167.03386	2.2
169.01300	2.6
175.03848	0.9
177.01822	0.9
177.05443	1.1
179.03407	65.0
180.03758	2.9
185.06073	0.7
187.03876	0.7
188.28937	0.7
192.04199	0.7
192.86797	0.7
193.01389	1.7
193.04973	2.0
197.04469	1.7
203.06958	0.8
205.05093	1.3
243.03062	1.5
255.05063	1.1
271.02383	4.5
285.03983	3.9
287.01971	1.6
287.09140	0.8
289.07166	7.4
297.07840	0.7
299.02051	0.9
300.02686	2.5
301.03485	7.6
302.03772	0.9
313.03055	4.6
314.04233	2.0
315.05222	7.7
315.08698	100.0
316.08966	9.8
330.03748	2.9
331.04510	4.0
345.19199	4.0
387.14743	0.8
417.24768	3.2
427.05643	0.8
445.07733	2.5
447.17661	0.8
477.10266	8.6
477.23459	6.5
477.30219	1.1
478.10355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1397
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
55.01725	1.8
58.09708	0.6
59.01247	7.4
61.98667	0.7
65.00175	0.6
65.90586	0.7
71.01250	5.2
71.04860	0.7
71.57944	1.2
72.99143	2.7
73.02771	1.1
75.00719	1.5
78.18459	0.7
79.01747	2.3
83.01247	1.3
85.02783	1.5
85.06450	8.2
87.00723	0.7
89.02316	3.7
91.00218	1.7
91.05365	1.0
93.03327	1.3
95.01234	2.2
97.02810	3.2
99.00733	0.9
101.02311	3.1
104.92706	0.6
107.01260	3.6
107.04879	2.9
108.02009	2.3
109.02834	2.5
109.06461	1.8
111.00773	0.9
111.04405	9.7
113.02310	1.9
117.03317	2.2
119.04900	8.1
121.02818	2.3
123.00729	4.0
123.04380	2.1
124.01540	1.5
125.02330	31.3
133.02834	3.1
135.04408	8.1
137.06094	1.2
138.03087	0.9
139.00259	2.1
145.02802	3.3
149.05986	1.0
151.00262	12.2
151.03888	2.0
152.01077	3.6
152.04695	1.1
153.01842	2.0
153.05472	100.0
154.05783	3.4
159.04427	1.6
161.02325	4.3
162.03029	0.9
163.00253	1.5
163.03923	5.5
165.01846	1.0
165.05501	1.7
167.07013	0.7
168.00569	3.8
169.01332	47.5
170.01646	1.8
171.04457	0.9
175.03896	1.1
177.01918	0.9
177.05505	2.8
178.99805	9.5
179.03406	25.9
180.04208	4.7
181.04970	5.9
187.03990	3.0
187.07312	0.7
189.01987	1.1
190.02620	1.4
191.03447	2.0
195.06596	1.7
197.02499	1.0
197.04562	2.0
199.03926	1.5
201.01964	1.4
203.03430	3.8
204.04210	3.9
207.02917	19.4
207.04828	1.2
208.03258	0.9
211.02428	1.5
211.07590	0.7
215.03473	5.6
215.07111	1.6
217.01329	4.4
218.02089	1.4
219.03075	0.9
225.09206	0.7
227.10764	0.8
229.01347	1.5
229.08749	1.5
231.03036	3.1
239.05606	1.3
241.01480	1.9
241.08818	1.0
243.03030	2.7
246.01814	1.8
247.60553	0.7
253.08807	2.2
255.03017	1.4
257.01013	0.9
259.02472	4.3
269.01001	2.0
271.04745	2.0
271.09769	3.3
274.01208	0.7
282.05399	1.0
285.00610	1.0
286.01163	1.3
287.01974	31.4
287.09213	22.8
288.02310	3.6
288.09647	1.7
297.07666	45.2
298.08203	2.9
301.03506	15.7
302.03979	0.9
303.01550	2.2
305.83600	0.8
312.99973	1.7
313.05676	6.3
315.01544	1.2
315.08762	17.7
315.12070	0.9
316.09256	1.6
330.00433	2.8
331.00906	9.8
331.06693	16.9
332.07532	1.3
333.02774	0.9
369.08234	1.1
370.09195	1.4
477.14502	81.4
478.08682	1.1
478.14844	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	477.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01035	1.3
53.01266	3.5
57.02297	1.0
57.03325	5.9
59.01247	9.0
61.98689	1.5
67.01743	1.7
69.03291	1.2
70.45586	3.0
71.01243	7.9
72.99152	1.2
73.02824	1.1
73.47070	0.9
79.01766	1.8
81.03320	1.1
81.39381	0.9
83.01237	1.5
85.02798	2.7
87.00759	1.2
89.02292	1.3
95.01260	2.7
97.02806	2.2
101.00418	0.9
101.02321	3.3
107.01272	12.2
108.02069	1.6
109.02814	1.2
111.00778	2.2
113.02345	2.0
115.66503	0.9
117.03309	6.2
119.04939	4.7
123.00774	14.4
123.04385	1.9
124.01548	2.3
125.02332	83.6
126.02625	2.3
126.89055	0.9
127.00298	1.4
133.02899	1.9
135.04410	2.3
136.98694	2.1
137.02284	1.8
139.00278	5.3
140.01007	3.5
141.01788	1.8
145.02844	16.9
151.00279	9.9
151.03857	1.3
152.00945	1.1
153.01808	1.0
154.99782	0.9
161.02289	1.7
163.03912	3.3
163.07565	3.9
165.01802	1.4
165.05452	0.9
167.03363	2.3
168.00597	6.8
169.01331	100.0
170.01682	4.3
179.03471	1.5
187.03824	1.4
211.02405	20.4
223.02426	1.1
239.05200	1.0
241.03517	3.7
245.08234	1.0
255.05171	1.6
271.04572	30.9
272.05011	1.1
289.07251	4.5
313.05652	39.6
314.05994	3.8
315.01532	1.8
315.07928	0.9
331.06824	6.3
345.09802	1.0
441.08218	5.0
477.09814	29.2
477.14285	31.9
478.10474	4.4
478.15256	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51764	0.6
50.73844	0.6
53.45883	0.6
59.01248	3.5
65.00187	0.7
71.01266	0.9
71.37428	0.9
75.00715	0.7
77.03825	1.0
79.01763	2.2
86.78749	0.6
97.02839	0.8
101.02321	1.1
108.02071	2.0
109.02837	2.3
111.35462	0.7
119.04945	1.1
121.02822	5.5
123.00765	1.5
123.04430	0.7
124.01561	1.3
125.02362	1.2
132.02065	1.0
133.02847	0.7
134.03676	0.9
135.04378	0.9
139.03880	1.2
145.44560	0.7
148.01619	1.4
149.02344	2.4
151.00233	1.1
160.01550	2.4
165.01836	10.8
169.01405	0.9
175.03888	4.9
177.01863	2.5
178.02611	0.9
178.99699	1.2
179.03323	0.9
183.02901	1.0
189.02159	0.6
193.01427	4.1
199.03938	0.8
202.54172	0.7
203.03508	0.7
205.01454	0.9
213.05545	1.4
225.05617	0.6
229.04945	0.8
230.05792	0.8
239.03537	0.9
240.04268	4.2
241.05099	4.7
256.03503	0.6
257.04520	12.6
258.04953	1.2
259.06107	0.8
267.03024	0.7
268.03693	2.9
269.04514	21.1
270.02237	1.0
270.05038	2.0
272.31274	0.6
285.04025	60.4
286.04453	7.0
287.05313	0.9
313.03354	0.9
314.04288	100.0
315.05032	58.4
316.05411	3.9
337.09076	1.3
357.06238	0.8
417.25043	1.5
477.10297	77.4
478.10757	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	477.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92296	0.8
57.03319	0.7
59.01248	25.3
65.00182	1.4
68.99664	1.0
69.37901	7.4
71.01246	6.7
72.99155	1.0
73.35622	0.7
74.64671	0.8
75.00735	1.6
79.01750	3.5
83.01222	0.9
85.02824	3.9
87.00756	1.3
89.02310	4.7
92.68056	0.7
93.03342	2.0
95.01260	1.9
97.02782	1.2
99.00733	1.9
101.02303	3.9
102.28402	0.8
109.02835	11.4
111.00739	1.8
113.02344	4.7
119.03378	2.1
121.02831	6.9
123.00751	3.2
123.04385	2.3
124.01534	5.5
125.02344	5.2
133.02863	1.0
135.04387	0.9
136.01535	1.0
136.98668	1.9
137.02345	8.1
138.03044	2.3
139.00218	1.0
139.03877	5.0
148.01556	1.5
149.02359	5.8
151.00238	1.9
151.03867	1.3
152.01044	1.7
152.04648	3.1
153.01843	10.3
159.04427	1.4
161.02274	1.4
161.04422	2.0
163.00223	2.2
163.03876	1.6
164.01073	5.3
165.01826	19.9
165.05435	1.0
166.02602	7.9
167.03368	2.2
167.07037	8.2
168.25273	1.0
169.01329	2.2
171.04347	1.8
175.00261	2.0
175.03848	1.3
176.00868	1.0
177.01817	7.2
178.99815	1.1
180.00526	6.5
181.01265	2.7
183.02901	2.2
183.13806	10.6
185.06021	1.7
187.03880	2.4
189.01793	1.6
189.05507	1.5
190.99782	1.9
193.01357	14.8
194.05652	1.2
195.02786	1.2
197.05974	1.4
201.01752	1.2
201.05516	1.1
203.03490	1.7
205.01227	2.2
206.02089	1.4
207.02812	1.3
209.08080	2.0
211.03801	1.0
213.01921	1.1
213.05508	3.8
215.03380	4.6
217.01279	1.1
217.04973	1.7
219.02913	1.5
221.00766	2.3
222.01675	1.7
225.05241	0.8
227.03365	2.4
228.04131	2.6
229.01326	0.9
229.04980	4.0
230.05542	1.1
231.02846	3.4
232.83467	0.8
240.04082	1.8
241.04968	8.7
242.02139	1.6
243.02803	3.6
245.04449	1.9
246.05161	1.1
255.02931	2.0
255.06577	2.4
256.03662	4.8
256.06564	1.6
257.04611	8.5
257.07053	1.9
258.05127	1.9
259.02524	4.3
259.05997	2.9
260.02945	1.2
268.03738	1.0
269.04507	7.1
270.01669	1.2
271.02466	2.4
272.03036	0.9
273.04034	3.7
274.04590	1.1
283.06030	1.2
284.03189	6.0
284.06195	1.6
285.04013	45.4
285.06720	2.0
286.04636	11.3
287.01910	6.2
287.05478	7.6
288.02634	1.1
289.03500	4.0
301.03519	11.9
302.04089	7.7
303.04770	1.6
312.02606	3.4
312.05991	0.9
313.03485	48.1
313.06375	1.7
314.03903	6.3
314.06992	2.1
315.01483	1.6
315.04922	3.2
315.08591	1.1
315.12424	2.2
317.58810	0.8
329.02820	2.2
330.03760	73.3
331.04535	70.8
332.04950	6.7
341.08539	1.2
415.19662	1.1
417.24878	9.2
459.09100	3.1
477.10263	100.0
477.19550	11.4
478.10571	12.5
478.17847	1.2
478.19031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03275	0.7
59.01241	4.6
65.00195	0.9
67.05236	0.6
69.03331	0.8
69.25445	7.1
71.01245	3.9
73.02805	1.2
83.01249	1.7
84.51414	0.6
85.02822	2.5
95.01285	1.1
97.02789	0.8
101.02345	3.4
107.01241	1.6
109.02837	2.2
113.02314	1.8
117.03347	1.2
119.04896	3.6
121.02879	1.0
123.00773	2.8
124.01538	4.7
125.02324	13.4
129.63858	0.7
133.02869	1.0
134.84840	0.7
134.85933	0.9
137.02325	1.2
139.00244	0.9
145.02856	4.2
149.99492	6.9
151.00249	5.7
153.01878	1.7
161.02336	1.9
161.04460	2.8
163.00229	1.1
163.03888	2.2
168.00545	12.2
169.01326	10.1
171.04382	1.1
175.03882	1.4
178.99780	3.0
187.03937	0.7
194.99260	1.1
199.03914	4.6
201.01918	1.7
203.03398	1.0
215.03441	5.0
216.47583	0.7
218.02211	0.8
226.02612	1.3
227.03372	3.7
242.02174	9.3
243.02943	38.7
244.03377	1.6
245.00681	0.8
257.04526	10.9
258.04926	1.0
259.02515	1.4
270.01694	9.2
271.02435	38.8
272.02811	3.5
279.72644	0.7
280.60324	0.8
285.04010	20.5
286.04678	6.0
287.02045	4.0
297.06198	1.0
299.01971	9.5
300.02582	4.9
301.03616	1.3
303.01505	1.1
313.05582	2.2
314.04294	41.4
315.01370	2.0
315.04898	10.9
330.04019	1.3
331.00912	1.1
331.06689	3.6
331.17621	2.6
350.26959	0.8
357.06213	1.4
424.95718	0.9
477.10373	100.0
478.10669	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	477.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	1.5
60.78105	1.1
65.34914	1.1
69.66328	8.4
71.01243	4.0
85.02833	1.3
87.09328	1.2
89.16203	1.3
93.62254	1.2
97.02830	1.7
98.20519	2.5
101.02308	1.9
107.01270	7.4
113.02313	1.5
119.04913	78.0
120.05229	3.9
123.00776	14.0
125.02332	55.3
136.98703	1.9
139.00250	3.3
140.01019	3.2
141.01765	1.8
142.49858	1.3
151.00275	12.3
163.03909	35.9
164.04236	1.8
168.00551	4.0
169.01332	82.6
170.01668	3.5
192.43422	1.2
211.02470	1.5
220.24947	1.2
313.02283	2.3
313.05624	29.6
355.35968	1.2
433.11429	8.8
459.08942	1.6
477.10336	100.0
478.10834	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	477.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.6
57.03325	0.7
58.60912	0.4
59.01248	5.6
61.98703	1.0
65.00204	0.6
65.09270	0.4
67.01790	0.5
69.03333	1.2
69.47663	3.4
71.01244	8.6
72.99190	0.9
73.02830	1.7
75.00747	0.6
79.01787	0.7
81.03339	0.5
83.01261	1.2
85.02803	2.5
85.29062	0.4
87.00768	0.9
89.02328	1.1
93.03382	0.5
95.01282	1.5
96.01612	0.6
97.02870	0.9
98.20513	0.9
99.00758	0.8
101.02334	3.1
103.03881	0.5
107.01265	7.7
109.02821	0.6
111.00789	1.7
113.02322	2.1
117.03347	7.0
119.04904	5.1
120.77086	0.4
123.00762	6.9
124.01596	1.8
125.02328	62.5
126.02683	1.6
133.02783	0.6
135.04446	0.6
136.98695	1.0
139.00261	2.9
139.03830	0.6
140.01047	2.6
141.01788	1.2
145.02849	20.9
146.03229	1.0
149.02350	0.5
149.06070	0.5
151.00261	8.1
153.01826	0.6
161.02313	1.1
161.04445	1.3
161.05872	0.5
163.03902	2.9
163.07527	0.5
165.01897	0.5
165.05455	0.9
166.18184	0.5
167.03401	1.6
168.00549	8.4
169.01326	100.0
170.01672	3.6
179.03395	1.0
181.05034	0.5
183.02921	0.6
187.03920	1.2
193.01311	0.6
211.02409	31.5
212.02780	1.8
239.05505	0.5
241.03468	5.2
253.03493	0.8
255.05081	1.2
255.89848	0.4
271.04559	52.8
272.04950	3.1
276.70724	0.4
287.01886	0.4
313.05627	50.7
314.06015	3.7
315.05042	1.0
315.08676	0.5
325.09311	0.4
331.06702	13.3
331.17529	1.5
332.06836	0.5
369.06735	0.4
417.24805	0.5
431.33923	0.5
477.10132	64.5
478.10532	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	477.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48600	0.5
52.94478	0.5
59.01254	0.7
69.03336	0.7
69.34982	0.5
70.34777	1.3
71.01264	3.3
79.01754	0.9
85.02843	1.1
95.01245	1.7
97.02776	1.3
101.02341	1.4
107.01265	4.8
111.00741	1.2
113.02318	2.1
119.04913	61.1
120.05256	2.1
123.00763	8.2
123.63371	0.5
124.01587	1.1
125.02333	41.1
126.02663	1.8
131.00484	0.6
136.51012	0.5
136.98592	1.0
139.00232	2.6
140.01016	1.6
141.01813	1.6
151.00261	10.1
152.00621	0.7
153.01778	0.8
163.03911	40.0
164.04225	2.1
167.03418	0.7
168.00545	3.8
169.01328	84.7
170.01625	3.9
193.01431	0.7
211.02425	2.3
223.02356	0.9
228.90024	0.6
241.03494	1.9
313.05624	46.6
314.06143	3.5
393.20633	0.6
433.11304	1.8
477.10339	100.0
478.10593	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	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97258	0.2
59.01236	0.6
69.34811	0.7
69.35239	1.0
78.95774	17.0
79.10531	0.2
83.79129	0.2
96.96836	0.8
98.19823	0.4
121.99953	0.3
140.01077	2.0
152.98312	0.2
152.99492	2.8
171.00552	2.5
180.91307	0.2
196.03673	1.0
214.04810	2.8
261.22275	0.4
279.23270	100.0
280.23611	7.3
299.75146	0.2
476.27820	14.7
477.28143	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	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	1.0
71.01221	0.3
71.52024	0.4
78.95773	22.5
122.00002	0.7
130.89180	0.2
140.01085	5.5
152.99525	1.8
196.03735	11.3
196.05560	0.6
214.04774	2.5
261.22150	0.6
279.23270	100.0
280.23611	9.2
295.41858	0.2
315.58841	0.3
320.04474	0.3
340.26224	0.3
476.27792	24.7
477.28201	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	475.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	100.0
60.01583	1.0
67.72315	0.9
71.01252	23.2
71.34258	1.0
71.34608	2.1
72.99161	2.0
73.02808	3.0
75.00738	2.0
83.01238	1.9
84.10361	0.9
85.02818	5.5
87.00735	2.1
88.98663	1.6
89.02316	25.4
95.01266	2.1
99.00735	1.3
101.02322	15.7
103.00248	1.3
107.01259	2.4
113.02336	9.6
117.03383	0.9
119.03396	11.3
119.04856	1.6
125.02312	1.8
131.03357	1.5
135.04361	2.4
143.03377	3.3
145.02814	3.6
149.04439	1.4
157.98671	0.9
161.02324	1.2
161.04431	7.9
163.03886	1.6
167.07037	4.3
168.24225	1.2
177.01744	1.3
179.05505	8.7
182.04489	1.6
194.99278	1.4
195.93588	1.0
202.04439	1.0
235.16977	2.5
248.57948	0.9
255.02956	1.2
301.03595	1.1
307.08148	1.8
311.30466	1.1
312.06406	2.7
313.07086	2.4
415.23361	19.5
416.23615	2.0
475.12405	2.6
475.29108	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05048	0.8
56.80149	0.9
58.00443	1.1
59.01248	100.0
59.44695	0.9
60.01570	1.2
71.01253	22.1
71.53770	1.8
72.99156	2.0
73.02805	2.0
75.00758	1.0
78.38436	0.8
83.01219	1.6
83.84059	0.9
85.02814	4.7
87.00758	1.4
88.98682	1.4
89.02316	26.2
95.01260	2.0
101.01672	1.7
101.02309	15.2
107.01254	2.3
113.02328	13.1
118.59946	0.8
119.03374	12.6
125.02354	1.3
131.03365	1.1
133.02861	1.1
143.03386	3.0
145.02846	2.4
161.02415	1.1
161.04486	9.3
163.03885	1.1
167.07047	2.5
179.05453	6.2
182.04549	2.1
189.58525	0.9
194.99265	0.9
235.16942	2.2
255.02974	1.2
271.02124	0.9
307.08249	1.7
312.06354	1.7
313.07300	1.6
329.02844	1.2
415.23373	15.7
416.23907	1.4
475.18314	1.2
475.29062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	2.3
56.34153	1.0
57.03318	2.1
59.01248	100.0
61.98706	1.9
71.01253	39.0
71.35255	1.8
72.99176	2.4
73.02821	9.7
75.00732	2.2
81.57681	1.1
83.01254	4.8
85.02815	13.7
87.00763	2.7
89.02324	10.4
93.03339	2.7
93.47495	0.9
94.18320	1.0
95.01265	2.1
99.00748	5.6
101.01683	1.9
101.02319	22.6
106.57890	0.9
107.01248	1.1
113.02326	16.5
119.03388	3.4
119.04916	5.4
121.02799	1.3
123.00758	1.0
123.04392	1.1
125.02357	5.5
126.06519	1.0
131.03397	1.3
135.04343	1.3
137.02324	2.3
139.00240	1.1
143.03415	3.9
145.02791	2.2
151.00276	2.3
151.03943	1.7
159.02885	4.1
160.01588	1.4
161.02414	1.7
161.04451	32.7
161.05846	1.7
162.04837	1.3
163.03914	6.7
167.04877	1.0
169.01266	3.2
175.00491	1.0
178.99789	1.7
179.03387	0.9
179.05550	3.8
181.12227	2.1
204.03479	1.1
205.03400	2.5
217.15947	5.8
235.16957	1.6
253.18071	9.5
285.04233	1.4
300.02670	1.1
301.03226	1.1
313.03738	2.2
313.06973	1.5
329.06436	2.3
329.16287	1.3
367.00070	1.0
415.23355	35.5
416.23825	5.0
475.07620	1.3
475.28986	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	475.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80769	0.7
55.01740	1.6
57.03333	1.9
58.00436	1.1
59.01250	100.0
59.47275	0.8
60.01572	1.6
61.98695	1.6
63.69961	0.8
71.01250	38.0
71.58422	1.3
72.99179	1.7
73.02814	10.1
75.00740	2.2
83.01249	4.8
85.02824	13.2
87.00755	2.8
89.02311	9.4
93.03358	1.1
95.01273	3.2
97.02847	1.0
99.00764	4.5
101.01685	1.7
101.02322	22.1
107.01219	0.9
113.02332	16.5
119.03413	3.6
119.04916	3.4
123.00734	1.0
125.01404	0.8
125.02299	3.7
128.84991	0.7
133.78355	0.7
140.92494	0.7
143.03358	3.9
145.02898	0.8
146.42578	0.7
151.00200	1.4
159.02898	5.1
161.04463	40.0
162.04817	1.5
163.03931	2.4
167.03465	0.9
169.01321	3.1
178.99788	0.9
179.05524	3.5
181.12303	1.9
193.31021	0.7
205.03441	1.4
211.04355	0.8
217.15941	6.3
226.80814	0.9
235.17064	2.4
253.18040	8.1
254.18419	1.1
285.03799	1.1
299.01990	1.1
313.03522	2.9
313.06967	1.0
415.23361	34.8
416.23685	3.6
475.12686	0.9
475.21396	1.8
475.28836	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
57.03316	0.5
58.00463	1.4
59.01249	29.9
59.98390	1.1
60.01570	0.2
68.99691	0.2
69.03320	1.9
69.33718	1.3
69.42092	0.1
71.01250	18.7
72.01610	0.2
72.38349	0.1
72.99178	1.9
73.02814	7.0
79.01763	0.2
81.03331	1.6
83.01254	1.8
83.04897	0.2
85.02822	6.7
86.03157	0.1
87.00752	1.0
87.04398	0.2
89.02313	11.2
90.02654	0.3
95.01263	0.8
97.02827	3.3
98.03627	0.2
99.00748	0.8
99.04395	1.9
101.02318	15.9
102.02649	0.2
103.03887	10.3
104.04276	0.2
109.02835	0.2
113.02341	1.7
115.03921	0.5
119.03387	6.2
119.04801	0.3
120.03709	0.2
123.04532	0.1
125.02334	12.4
126.02673	0.4
127.03893	1.1
131.03397	0.8
133.04979	0.2
143.03395	2.1
145.04973	1.7
148.05402	0.1
149.05991	0.2
161.04443	0.7
163.06026	7.5
167.10683	100.0
168.11014	4.3
179.05501	0.6
187.06075	0.2
191.10699	0.2
193.04980	0.5
205.07088	1.2
229.07233	0.3
235.17012	0.2
247.08173	3.9
248.08505	0.2
260.76904	0.1
289.09418	0.2
307.10349	3.0
308.10727	0.1
366.30313	0.1
415.23065	0.3
444.08572	0.2
475.15985	0.7
475.22079	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1608
Annotation	Matteucinol 7-O-glucoside
Peak:m/z	Relative Intensity
57.03304	0.6
59.01245	9.0
61.98697	1.0
68.99664	0.6
69.66647	3.7
71.01243	2.6
72.99150	0.6
77.03851	0.8
79.01750	1.1
83.01255	0.9
85.36340	0.6
89.02328	1.0
93.03338	1.8
99.00739	0.7
99.92522	0.7
101.02307	1.4
107.04908	0.6
109.02833	1.2
113.02318	0.8
119.04908	54.8
120.05248	1.9
121.02853	1.4
121.06483	0.6
122.03599	1.3
123.04377	0.7
125.02302	1.2
125.05968	3.0
135.04437	1.5
137.02354	1.1
139.71538	0.6
145.02820	4.6
147.18445	0.6
149.02347	13.6
149.05975	10.1
150.03120	39.2
151.03757	1.2
161.04347	0.9
163.03932	8.5
168.02902	1.5
173.63579	0.5
177.01854	15.3
177.05466	20.0
178.02618	32.0
179.03006	1.7
191.03453	2.2
192.04118	0.6
193.04968	19.9
194.05208	1.1
205.04984	1.2
206.05783	7.7
207.06487	1.7
210.01669	2.8
211.05974	2.8
212.04726	0.6
221.29709	0.5
224.03130	1.3
238.04758	21.8
239.05167	0.8
253.08827	0.6
255.06660	0.7
269.08084	5.5
271.09814	1.1
297.07645	11.7
298.08292	1.6
299.09189	1.6
312.09958	1.9
313.10785	57.3
314.11154	4.3
355.11868	2.4
406.05328	2.2
415.23083	1.9
460.13776	2.3
475.16040	100.0
476.16357	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	475.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.97136	9.1
71.01269	15.9
71.56035	10.4
71.56510	15.8
72.99182	16.8
73.16537	8.2
74.27577	9.5
78.95776	11.0
88.33767	9.7
89.02303	16.5
96.96839	45.8
103.30589	9.5
115.00241	16.6
120.95615	9.1
133.01315	100.0
133.04935	23.6
135.02817	12.1
152.54469	10.3
243.49820	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	475.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13150	0.5
53.40485	0.4
56.05229	0.4
57.03315	0.6
59.01248	34.3
59.59316	0.5
59.95646	0.4
64.60344	0.5
70.68129	0.4
70.86079	0.5
70.86422	1.1
71.01252	6.4
72.99146	0.6
73.02827	1.5
75.00753	0.7
79.01772	1.6
83.01271	0.6
85.02831	2.8
86.35065	0.4
87.00742	0.9
88.98647	0.5
89.02324	4.0
93.03349	0.9
99.00747	1.0
101.02319	3.7
109.02814	0.9
113.02322	4.3
117.03369	2.3
119.03468	2.0
119.04913	81.1
120.05254	3.6
121.02845	0.6
123.00771	0.5
125.02349	1.5
125.05979	5.9
126.06342	0.5
133.02850	0.9
135.04425	1.6
137.02345	1.1
143.03360	1.0
145.02861	8.6
146.03232	1.1
149.02341	2.1
149.06004	6.9
150.03131	8.2
151.00233	0.9
151.07570	0.6
159.02864	0.5
161.02347	1.5
161.04477	4.5
161.05739	0.8
162.55969	0.5
163.03931	3.9
165.01967	0.6
165.05479	0.6
167.06958	0.5
177.01822	1.8
177.05495	1.7
178.02634	26.8
178.99828	0.6
179.03291	1.6
179.05513	1.6
181.12280	1.5
192.04123	0.7
193.04991	38.8
194.05325	2.0
207.06508	2.0
211.05986	4.1
224.03174	0.6
225.11333	0.6
235.16895	2.3
238.04773	0.9
249.06178	0.7
253.18066	1.9
255.02954	0.6
271.02530	0.7
271.06116	0.5
283.02621	0.6
285.03989	1.4
289.07108	0.8
298.08340	2.1
300.02606	0.7
301.03485	1.2
309.08682	0.9
311.02017	0.9
312.02530	0.7
313.10800	100.0
314.11108	9.1
329.02899	1.4
415.23453	4.1
475.08914	2.0
475.16000	21.9
475.28641	0.7
476.09723	0.6
476.16559	3.3
487.10968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28910	0.9
54.91233	0.9
56.50347	0.8
59.01247	10.2
69.44394	9.2
71.01249	5.6
72.99157	1.2
73.02824	1.8
75.00729	2.7
79.01746	3.7
81.03329	3.0
83.01237	1.9
89.02316	2.4
89.92889	1.0
93.03352	6.6
94.75010	0.9
101.02306	2.4
107.04896	1.7
108.02052	3.1
109.02824	2.7
113.02327	2.6
117.03308	1.8
119.04898	6.4
123.04402	24.8
125.02334	6.8
131.04921	1.4
133.02824	3.9
135.04442	6.8
137.02327	2.9
137.05965	1.9
139.03929	1.1
145.02850	3.3
149.02322	3.4
151.00244	2.2
151.03908	6.5
152.04665	1.3
153.04195	0.9
153.05386	2.2
161.04480	2.6
163.03925	2.7
165.01758	1.6
165.05522	1.6
167.03406	55.9
167.10704	3.1
168.03738	2.1
175.00188	1.1
177.01834	2.5
178.02548	1.1
179.03403	12.7
180.04187	7.8
181.04999	6.6
191.03416	14.4
193.01401	1.3
201.05597	1.3
205.05003	1.2
207.02924	5.7
209.04512	4.6
213.05495	2.0
229.04970	3.9
229.08603	1.2
235.02457	1.7
239.07011	3.0
240.04175	1.5
241.05005	3.7
241.08568	1.1
255.06609	5.1
257.04553	3.6
257.08096	4.4
258.04861	1.3
262.12048	1.3
267.06570	1.4
268.03955	1.5
269.04517	3.2
271.06033	5.9
272.06696	1.2
283.06110	21.5
284.06445	2.4
285.04028	15.0
285.07672	11.2
286.04672	1.8
287.05457	3.3
299.05652	9.5
300.06314	5.6
301.07031	1.4
305.70483	1.1
311.05603	17.3
312.06036	2.3
313.03513	12.6
313.07184	2.8
313.10876	2.2
314.04221	3.4
327.04739	2.3
328.05847	60.8
329.06616	100.0
330.06979	7.6
349.26978	1.0
355.10504	1.3
415.23453	2.9
475.12421	83.7
475.28943	3.8
476.12860	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	474.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.5
61.98671	0.2
70.43839	0.5
70.44218	0.4
73.93340	0.2
78.95773	20.6
96.96851	1.1
98.20448	0.3
125.09593	0.3
129.85860	0.2
140.01082	2.4
152.99500	2.7
171.00554	2.6
192.17294	0.3
196.02205	0.2
196.03745	1.3
209.11743	0.3
211.36185	0.2
214.04787	3.4
217.00194	0.4
231.13818	0.3
233.11859	0.3
233.22705	0.4
259.20667	0.4
275.20129	0.4
277.21710	100.0
278.18967	0.5
278.22055	8.9
457.25998	3.1
474.26236	16.5
475.26782	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	475.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.8
59.01250	11.4
69.38311	4.6
69.38734	1.0
71.01222	1.7
71.60381	0.7
79.01752	0.9
85.02802	1.0
86.64612	0.6
89.02308	1.1
93.03349	0.8
101.02287	1.3
109.02821	1.0
114.82024	0.5
121.02793	0.6
123.00793	0.6
129.01555	0.6
135.00702	0.8
135.04366	2.0
150.02998	0.7
161.04495	1.3
163.03891	0.7
165.01831	1.7
167.10677	2.6
179.03424	1.4
206.15811	0.6
207.02893	2.1
211.07530	1.2
225.05452	1.3
228.04156	0.6
229.04933	1.0
239.07104	2.0
241.05035	9.6
243.02939	1.0
255.06606	92.6
256.03943	1.2
256.06946	7.0
257.04562	0.7
267.06656	2.3
269.04510	8.1
270.05176	0.7
271.02652	0.8
272.03281	1.2
273.03934	1.2
283.02652	1.8
283.06107	57.6
284.06726	10.5
285.03986	1.1
285.07120	0.7
300.02658	2.3
301.03592	3.8
311.01895	1.5
312.06387	58.5
313.07083	18.1
314.07483	1.2
316.05899	0.8
328.01993	1.1
329.03036	7.7
330.03540	0.7
379.53421	0.6
415.23492	1.5
447.09329	1.9
475.12531	100.0
476.12906	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	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13832	0.3
59.01246	2.4
62.16599	0.3
62.96272	0.4
68.52208	0.3
70.71764	0.5
70.72102	0.5
71.01266	0.3
78.95773	25.4
81.19288	0.3
85.69118	0.3
122.00005	1.2
140.01077	7.9
152.99500	2.2
166.02650	0.4
196.03723	14.1
197.04071	0.4
214.04793	3.2
259.20639	0.4
275.20059	0.4
277.21707	100.0
278.22049	9.3
321.13284	0.3
355.32837	0.3
388.71973	0.3
457.25894	0.4
474.26212	29.1
475.26578	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	474.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05913	1.1
59.01250	13.1
63.02259	1.6
65.00211	2.6
65.99703	2.0
70.06734	3.0
70.07133	1.8
71.01257	5.2
72.99164	3.0
73.02825	1.1
75.00719	1.4
83.01262	2.7
85.02835	2.4
87.00703	1.2
89.02331	2.8
93.03311	6.6
95.01269	3.3
99.00746	1.6
101.36242	1.0
107.01270	4.6
108.02071	1.4
109.02843	4.3
113.02324	3.0
116.38203	1.0
117.03365	1.9
118.02776	1.5
119.04877	2.7
121.02838	4.8
123.00776	2.8
123.04355	1.6
124.01486	1.1
125.02328	3.2
132.02109	3.0
133.02844	1.3
134.02356	5.6
134.03500	1.5
135.00745	1.5
135.04369	1.7
137.02347	14.0
137.23108	1.0
142.02927	1.1
143.04886	1.1
145.02850	4.1
146.02373	1.9
147.04390	1.9
149.02333	3.2
151.00273	20.6
151.03934	2.2
152.01053	3.2
160.04018	1.1
161.02339	3.3
162.01868	16.4
162.03145	1.5
163.00269	3.0
163.03903	1.8
164.03452	17.3
165.01833	1.2
165.05539	2.3
167.03409	2.1
169.01329	5.1
171.03168	1.1
171.04443	1.1
172.04012	1.6
176.01085	3.2
177.01842	16.2
178.99815	7.8
179.03592	1.3
183.04425	1.9
186.01868	6.5
187.03975	1.5
190.01422	4.7
191.80290	1.0
192.00626	1.7
193.01349	1.7
193.04970	1.3
199.03865	1.2
199.61595	1.0
200.03380	1.5
202.99774	1.1
203.02121	5.8
204.02959	18.2
206.99185	1.1
211.03860	2.8
218.04579	3.3
225.05577	1.4
227.03464	8.5
228.04407	1.1
229.04973	4.3
230.00832	2.3
234.05585	1.5
239.03510	2.2
240.04242	1.9
242.04350	1.5
243.02989	2.8
246.14795	1.1
254.04547	1.8
255.02896	15.7
255.05136	2.3
256.03528	3.7
256.06085	1.3
257.04541	3.0
259.02393	1.9
265.07193	3.9
266.04584	1.3
267.02985	1.3
269.04562	4.1
270.04129	4.2
271.02463	4.9
271.05063	1.2
272.03320	3.4
273.04117	2.1
278.04434	2.6
279.02954	7.4
282.01355	1.5
282.04385	1.3
283.02466	11.9
283.05222	1.5
283.08057	2.1
284.03125	7.4
284.05914	1.5
285.03891	3.3
294.04071	2.2
295.04953	2.7
297.03928	6.2
298.04593	1.4
299.04550	2.6
300.02667	11.4
300.05594	1.4
301.03473	32.2
302.03705	2.9
305.03400	2.7
306.03979	16.3
307.04666	1.8
307.08075	1.3
309.06161	3.0
312.05005	2.1
314.04221	1.2
323.04303	24.7
324.05078	43.3
325.05447	3.7
336.07199	1.5
341.05328	31.5
342.05975	7.5
354.08258	9.3
380.06232	3.7
416.07602	2.7
417.08051	3.5
430.18362	1.9
433.07776	15.0
434.08173	2.4
456.09360	14.2
457.09979	1.3
474.10434	100.0
474.16733	6.2
475.10721	10.6
475.16888	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	100.0
60.01588	7.4
61.98690	7.7
70.23431	21.5
71.01257	43.9
85.02830	21.7
89.02303	44.0
89.72478	6.9
99.00753	12.1
101.02319	25.8
113.02309	27.7
119.03393	14.0
139.40193	9.0
149.04405	13.3
162.93715	8.3
217.00337	14.6
251.16428	15.8
314.70407	8.3
327.04938	10.4
341.10159	12.4
414.49451	9.7
415.23474	16.1
437.23810	63.1
473.22275	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	1.2
57.03299	3.3
58.00479	1.0
59.01249	55.8
67.01749	2.7
68.99673	1.9
71.01250	30.5
71.58730	1.6
72.99165	8.1
73.02807	5.0
75.00349	1.8
75.00746	21.7
83.01247	3.2
85.02818	26.7
87.00742	8.8
89.02312	8.9
91.03876	1.6
93.03324	3.4
95.01260	6.4
99.00755	13.2
101.02294	5.6
103.00232	3.8
103.17686	1.2
107.01225	1.3
108.02032	1.4
109.02840	8.8
111.00749	1.8
113.02321	28.5
115.00269	3.1
117.01830	3.1
119.03381	2.5
119.04905	1.9
121.02830	2.1
121.06446	1.1
123.00746	2.9
125.02321	2.5
129.01828	3.0
130.99727	1.1
131.04890	1.8
133.02858	5.4
135.04387	3.8
135.11711	8.7
137.02299	3.7
137.09615	1.8
143.03348	1.2
143.45688	1.1
145.02873	1.5
149.02295	1.6
149.05925	2.2
151.00240	4.1
157.01326	1.7
157.47134	1.2
159.08054	1.0
161.02364	14.7
161.04424	2.3
161.09589	3.3
162.01790	2.2
163.00165	1.7
164.03416	3.7
169.01286	2.2
175.02448	5.4
175.03766	1.0
177.01791	4.0
178.99669	1.9
179.03371	1.2
179.10690	35.8
180.11089	1.9
181.01369	1.8
204.02940	2.4
213.05516	1.2
215.14320	2.0
223.09724	2.1
227.03445	1.5
231.05020	3.5
249.06123	38.6
251.16660	1.3
255.02913	5.0
256.03586	1.7
257.04349	1.3
267.07275	8.7
269.04642	1.6
283.02264	2.1
284.03177	2.5
297.03979	1.1
297.13324	10.6
300.02628	3.0
301.03476	5.3
306.04025	3.3
323.04193	5.3
323.07739	3.1
324.05115	10.1
326.03973	1.1
327.05081	3.3
340.04385	1.4
341.05261	5.8
342.06277	1.6
354.08218	2.0
395.20627	1.2
411.16672	1.9
413.21707	3.1
429.17682	22.2
430.17789	1.8
433.07706	3.0
445.50949	1.2
455.15472	1.3
456.09256	3.2
473.16492	100.0
474.10278	20.2
474.16980	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	473.1452
Annotation	Scrophuloside A
Peak:m/z	Relative Intensity
59.01250	19.2
60.06384	0.6
71.01260	3.6
71.58605	0.8
73.02820	0.8
75.00759	0.7
78.82264	0.5
83.01246	0.6
85.02823	2.2
86.02820	0.5
86.10947	0.5
87.00749	0.9
89.02319	0.8
93.03333	4.4
95.01257	0.7
101.02316	2.1
108.17215	0.5
109.02852	0.6
111.00739	0.6
113.02335	1.5
117.03343	24.8
118.03728	1.1
119.04914	15.3
121.02839	1.4
121.06485	4.1
123.00733	1.2
123.04377	0.7
125.02321	2.5
129.03365	1.2
135.04459	1.5
137.02299	1.0
145.02850	100.0
146.03192	4.7
147.04411	7.3
151.03918	0.7
159.04378	0.9
161.06009	1.0
163.03929	10.1
164.04248	0.6
165.01814	1.5
165.05476	30.6
166.05893	1.0
169.01337	1.6
177.01880	1.5
179.03438	1.3
180.06593	0.8
187.03923	1.0
189.01862	1.5
205.05061	1.0
247.06070	0.8
255.02953	0.7
267.07089	1.4
269.00919	0.7
269.04617	2.7
270.01511	0.8
297.03952	1.2
307.08212	34.6
308.08731	2.7
311.05490	0.9
311.09155	0.7
319.19983	0.6
326.04266	1.2
327.05060	0.7
327.11032	0.7
341.06488	1.0
359.14868	0.6
413.21762	1.5
435.10693	1.1
455.13556	2.0
473.14569	32.8
473.20334	3.5
474.15128	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	473.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17817	6.1
59.01250	12.0
62.18416	6.7
71.01237	10.7
71.13575	15.7
72.99189	11.1
78.11266	6.3
84.11114	6.3
88.98769	6.0
92.50150	7.3
94.67119	6.7
96.95901	17.9
111.00714	8.7
119.04866	7.1
121.23055	6.4
123.04378	8.9
123.43604	6.1
125.02296	15.6
126.04133	6.4
135.04405	100.0
139.00319	8.9
147.04286	6.6
161.02400	6.9
162.02158	9.6
165.05458	7.4
179.03416	73.3
183.02887	23.2
473.12985	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21230	0.3
54.96555	0.2
59.01245	1.2
73.09106	0.2
76.01016	0.2
79.01772	0.3
85.78728	0.2
93.03339	0.5
119.04934	0.3
122.03563	0.3
123.04404	2.5
133.02838	2.9
135.04404	0.5
149.02321	1.0
163.03893	0.5
177.01852	1.6
183.08058	0.3
190.02632	1.3
191.03409	0.8
193.04980	0.3
195.08138	0.5
196.05167	0.4
199.07568	0.6
205.01410	0.3
211.07584	1.8
217.00189	1.4
227.07076	1.4
239.07095	3.2
240.04306	0.6
240.07475	0.3
241.05014	2.9
255.06589	38.2
256.06949	3.1
266.05786	0.4
267.06555	1.4
269.04541	2.8
269.62814	0.3
281.04449	0.3
283.06097	49.7
284.06662	7.1
285.07141	0.3
311.05594	57.3
312.06339	43.5
313.06683	3.6
316.05713	0.6
323.43170	0.3
326.07944	21.4
327.08707	100.0
328.09061	9.3
462.12045	0.3
473.14490	21.6
474.15012	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	473.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08300	1.6
56.93879	1.6
57.03321	3.7
59.01244	10.0
60.54570	1.3
64.74421	1.2
65.00187	2.1
67.01768	2.5
69.03326	4.8
71.01254	5.6
71.55832	1.4
71.58663	2.4
73.02843	2.0
73.66066	1.5
81.03325	1.7
83.01222	7.7
85.02807	8.7
87.00751	4.3
89.02330	2.3
95.01260	7.1
97.02818	3.2
99.00774	2.1
101.02322	3.2
105.66386	1.6
107.01273	3.1
108.02082	1.9
109.02843	13.8
111.00765	27.5
111.95949	1.6
113.02316	7.8
115.00235	2.0
119.04911	3.5
121.02863	4.3
123.00759	10.3
123.04366	4.0
124.01552	2.3
125.02334	100.0
126.02651	2.7
127.00293	2.4
129.01767	2.2
132.02069	2.3
135.04410	3.4
137.02338	11.1
139.00270	32.5
139.03888	2.1
140.01064	1.4
141.01848	8.8
145.02864	4.6
146.03645	2.8
147.04425	3.7
149.02353	8.2
150.03093	2.9
151.00275	4.6
151.03949	3.1
153.01813	10.5
154.99759	8.6
157.01346	12.3
159.04442	5.4
161.02356	6.2
161.05978	3.0
163.03905	3.0
165.01845	4.7
166.99780	8.3
167.03441	2.5
168.00476	2.2
169.01337	99.5
170.01703	4.0
171.04324	2.8
173.05983	2.7
175.02393	4.5
175.03929	7.4
176.01082	5.9
177.01855	7.5
182.80077	1.6
182.99277	6.1
183.04414	1.8
185.00797	4.6
185.06009	4.0
187.03943	6.2
189.05482	4.2
191.03401	1.8
193.01381	1.9
195.02837	2.4
197.05937	2.0
199.03960	2.8
201.00362	10.0
201.05478	2.0
203.03415	2.8
203.07169	1.7
213.05690	3.7
215.03549	2.5
216.04247	2.4
217.05040	9.7
227.03488	2.4
231.06538	2.0
241.05064	6.3
242.05640	2.3
253.05090	2.7
259.06088	4.4
261.03915	1.7
271.06204	8.5
275.05765	2.2
285.04022	10.5
286.04648	2.3
287.05420	2.7
289.07166	4.0
303.05002	13.8
321.06113	10.7
337.18942	1.8
341.02914	2.5
455.06161	3.3
473.07861	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	473.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13948	9.3
57.03331	10.2
59.01252	33.2
67.01765	10.8
69.03329	14.1
69.63724	33.9
69.64136	29.1
71.01250	20.9
72.99184	96.0
73.02834	15.0
75.00701	10.9
81.03322	11.7
83.01244	22.3
84.90662	7.8
85.02809	12.3
87.00748	23.7
89.02307	9.1
93.03337	27.0
95.01261	33.4
97.02826	10.1
98.20521	18.5
98.23441	9.5
99.00766	19.6
100.98672	11.9
103.00256	100.0
107.04908	18.3
109.02846	61.7
111.00777	41.4
111.04366	10.9
121.02850	35.1
123.00742	60.6
123.04420	41.7
124.01585	16.4
125.02349	50.8
127.00235	22.5
135.04410	31.7
137.02328	36.4
139.00273	55.4
139.03906	25.5
140.01076	9.3
141.01825	12.7
146.99236	26.7
147.04402	13.2
151.03954	32.9
154.99733	23.7
161.02313	14.1
163.03946	46.1
165.05466	39.4
166.99763	39.4
167.03421	13.8
169.01305	12.5
179.03416	42.7
179.07054	12.1
181.04984	66.8
182.99318	11.9
183.99895	11.8
185.00883	23.8
193.04961	12.5
197.04514	72.6
211.02281	11.3
217.02490	18.4
255.05138	61.5
271.04553	54.0
287.04169	30.1
305.05148	58.9
325.55350	9.4
455.05005	17.3
463.29041	8.9
471.97763	8.9
473.05753	14.7
473.16528	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	472.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	8.0
65.00191	4.5
71.01233	3.5
72.99171	3.4
80.24882	1.5
83.01250	3.7
89.78777	1.6
101.02361	2.2
107.01263	8.9
109.02789	1.8
110.63638	1.6
119.04877	7.3
120.04408	1.6
125.02306	9.7
131.50789	1.5
133.02814	3.9
137.02357	2.8
149.02095	1.6
151.00278	23.9
158.02351	1.9
160.03944	3.7
161.02361	11.2
163.03908	1.9
163.05981	2.8
169.01329	2.5
171.04295	1.6
175.00189	1.9
177.01823	5.6
178.99774	15.3
186.01837	5.5
186.27423	2.0
190.99713	2.5
195.04431	2.3
199.03853	4.4
212.03476	4.8
214.01375	66.6
215.01672	2.7
217.04732	2.3
226.04907	1.5
227.03432	4.7
227.89719	1.6
230.70084	2.2
236.03494	3.1
241.05034	2.7
243.02846	5.7
250.04906	2.3
254.04573	2.7
255.02890	4.2
256.03720	2.3
269.04404	5.7
271.02432	39.8
271.05417	2.0
272.02911	3.5
284.03198	2.2
285.03989	25.3
286.04199	2.1
294.04047	4.6
295.02374	6.8
296.02115	3.1
297.03983	6.4
298.04675	3.1
299.01932	47.5
300.02637	29.0
301.03345	4.5
313.03458	18.1
314.03998	2.5
322.03519	41.4
323.03937	4.9
324.05090	12.7
325.02173	4.3
326.02966	4.7
327.04892	5.3
339.03784	6.1
340.04556	100.0
341.04950	9.8
346.05258	2.5
432.06830	7.4
472.08740	91.4
473.09030	12.3
473.16165	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	471.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95942	0.2
54.01608	0.2
59.01259	1.7
62.02182	0.3
69.49229	2.4
71.01253	1.2
80.84241	0.3
85.02805	0.4
93.03343	0.5
101.02296	0.7
103.00259	0.8
106.90103	0.3
113.02348	0.3
117.03337	13.1
118.03664	0.4
119.04909	100.0
120.05255	3.4
123.00784	0.4
125.02317	0.5
132.15938	0.3
145.02846	61.3
145.75571	0.3
146.03195	2.5
151.00250	0.4
159.04483	0.3
161.05981	0.9
163.03906	53.3
164.04292	1.7
169.01340	0.5
187.04001	0.6
188.32094	0.3
203.06984	0.3
205.04976	0.6
210.29698	0.3
211.13203	0.6
217.05112	0.3
247.06070	0.5
249.14949	0.4
265.07156	0.5
272.83792	0.3
307.08206	39.1
308.08551	2.5
353.44858	0.3
369.59659	0.3
387.47659	0.3
471.12958	16.5
471.19107	1.4
472.13104	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83327	0.3
57.03329	0.2
59.01247	0.7
71.01254	1.2
71.35441	0.3
83.01252	0.4
85.02818	0.3
89.46004	0.2
93.03342	0.8
98.21103	0.2
99.00774	0.2
101.02338	0.6
109.02821	1.6
113.02316	0.4
117.03342	23.8
118.03707	0.7
119.04912	24.8
120.05274	0.9
121.02837	0.5
123.04405	0.5
125.02341	3.6
131.04828	0.3
133.06471	1.3
137.02339	2.1
145.02847	100.0
146.03180	4.0
147.04422	0.5
149.02298	0.4
151.03880	0.8
152.99522	0.3
159.04428	1.3
161.05975	3.3
163.03915	22.2
164.04254	0.9
165.01825	2.1
177.05511	0.6
179.03467	0.4
187.03943	4.3
190.26033	0.2
202.06172	0.3
203.07066	1.0
205.04984	3.4
211.13342	0.8
227.06984	0.4
229.04910	0.4
235.06094	1.8
245.08226	1.3
265.07147	4.8
266.07516	0.3
269.08148	0.5
271.06143	0.8
289.03955	0.6
289.07184	10.9
290.07529	0.8
307.08221	15.5
308.08591	0.9
309.07819	0.3
325.09323	1.4
341.06567	0.6
411.10944	1.0
435.10605	0.8
471.12924	8.2
471.18909	0.5
472.12967	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09604	0.6
59.01249	19.2
61.98694	1.7
70.64999	1.6
71.01250	3.4
72.99182	1.0
73.02761	0.6
78.11009	0.5
83.01250	1.1
83.04887	0.9
85.02834	1.0
87.00760	0.8
89.02306	2.4
93.03303	0.6
101.02325	2.0
109.02859	0.4
113.02311	2.8
117.03343	24.6
119.03512	0.7
119.04914	14.9
121.02869	0.7
123.04398	0.5
125.02367	1.4
127.03154	0.5
133.06448	1.2
145.02847	100.0
146.03162	3.8
157.06575	0.6
159.04442	1.6
161.04633	0.8
161.05963	3.7
161.13287	1.4
163.03909	15.8
169.01395	0.6
177.05510	1.1
179.05539	0.7
187.03940	4.4
187.11180	0.5
205.04970	3.1
205.15891	0.7
221.06319	0.6
235.06082	2.0
249.14932	15.4
265.07172	4.7
273.14938	1.8
289.07007	0.7
289.59494	0.5
291.16293	0.8
307.08255	11.4
309.07309	0.6
325.09332	1.1
411.10980	0.7
471.13049	4.2
471.18930	1.0
475.00092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.3
60.14968	0.3
69.50037	1.7
69.50439	0.9
71.01250	0.8
72.24914	0.4
83.01302	0.4
85.02832	0.4
87.95003	0.3
93.03350	0.7
98.19846	0.8
100.26162	0.3
107.04841	0.5
113.02338	0.5
117.03342	17.0
118.03661	0.6
119.04912	100.0
120.05248	3.4
138.75827	0.4
145.02850	59.3
146.03157	2.6
148.05229	0.5
161.06003	0.5
163.03909	79.3
164.04268	3.1
176.06290	0.3
187.03917	0.4
225.53427	0.3
273.07733	0.7
307.08218	29.7
308.08521	2.2
471.12946	17.3
472.13266	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	471.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.3
60.14968	0.3
69.50037	1.7
69.50439	0.9
71.01250	0.8
72.24914	0.4
83.01302	0.4
85.02832	0.4
87.95003	0.3
93.03350	0.7
98.19846	0.8
100.26162	0.3
107.04841	0.5
113.02338	0.5
117.03342	17.0
118.03661	0.6
119.04912	100.0
120.05248	3.4
138.75827	0.4
145.02850	59.3
146.03157	2.6
148.05229	0.5
161.06003	0.5
163.03909	79.3
164.04268	3.1
176.06290	0.3
187.03917	0.4
225.53427	0.3
273.07733	0.7
307.08218	29.7
308.08521	2.2
471.12946	17.3
472.13266	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	471.085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	4.8
59.01253	17.5
61.72090	0.6
61.98695	1.3
69.03312	0.7
69.38747	4.9
71.01266	4.4
73.02831	1.0
81.03324	1.7
83.01258	4.0
85.02824	1.7
85.57733	0.7
89.02318	2.2
93.03329	2.9
95.04921	1.1
97.02814	2.5
101.02318	3.0
109.02841	13.6
113.02319	1.4
117.03345	8.2
119.04914	42.2
120.05260	2.3
121.02834	2.5
123.04408	7.1
124.10606	0.7
125.02331	31.3
126.02664	0.8
131.04904	0.6
135.04382	1.5
137.02342	30.7
138.02669	0.7
139.03867	1.5
143.04973	0.8
145.02849	43.7
146.03362	2.1
147.04398	1.2
149.02371	3.1
150.03162	0.9
151.03896	5.0
152.99460	1.5
159.04405	4.2
160.05231	0.7
161.02368	1.0
161.04630	1.0
161.05983	4.2
161.20158	0.6
162.03188	0.8
163.03922	34.5
164.01041	1.9
164.04247	1.0
165.01874	7.3
167.03374	0.8
173.05957	0.8
175.03903	1.2
175.07713	0.8
179.03430	3.8
185.05949	1.3
187.03908	4.4
188.04654	2.0
191.03575	0.7
201.05411	0.6
202.06197	0.8
202.95473	0.6
203.07069	9.2
204.07457	0.7
205.04967	4.4
211.13336	4.3
211.35347	0.6
221.08076	1.1
227.06992	2.7
245.08165	11.5
246.08458	0.8
247.06064	0.8
247.16884	0.8
249.14894	2.7
253.05013	1.9
253.08696	8.9
269.08185	1.9
271.06131	12.0
285.07651	0.7
289.07172	100.0
290.07498	7.1
307.08243	9.3
309.07654	1.5
341.06680	0.9
353.41763	0.7
391.11920	0.9
412.32339	0.7
427.23523	1.8
435.10837	10.0
436.11334	1.6
471.13071	2.8
471.19424	2.2
471.25467	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	471.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	10.2
59.01249	36.8
65.03831	4.1
67.01768	5.9
71.01250	12.6
71.58216	4.6
72.99187	6.9
73.68178	2.3
83.01250	23.3
89.02329	7.7
90.97131	2.6
91.05408	4.2
92.83054	2.5
93.03310	7.5
95.01247	37.9
95.04888	3.6
99.00761	9.0
101.02299	6.0
105.03336	4.6
107.01262	9.6
107.04897	13.9
109.02843	9.7
109.06110	2.3
111.00755	15.3
113.02346	3.4
117.03330	15.2
119.03487	4.1
119.04907	64.8
119.05730	4.6
119.45261	2.3
121.02850	7.2
123.00758	99.3
123.04380	12.4
125.02329	35.0
127.00274	3.7
133.02840	7.8
135.04413	50.0
136.01567	2.6
136.98769	3.2
137.02330	9.6
139.00269	12.3
140.01045	10.0
141.01793	7.4
145.01280	3.5
145.01724	3.8
145.02847	38.3
146.03717	2.7
147.04405	18.7
149.02328	9.8
151.00278	20.0
151.03903	18.6
154.99759	36.3
160.03940	2.8
161.02338	6.9
161.58734	2.3
163.00290	5.6
163.03903	85.6
164.01047	10.1
164.04253	4.2
165.01823	3.3
165.05548	4.9
166.99759	90.0
167.01199	4.4
168.00562	18.0
169.01337	37.4
170.01685	3.4
173.02388	12.9
174.03046	3.2
175.03900	3.1
176.00978	2.6
177.01813	9.6
178.99870	4.2
179.03384	28.0
181.01292	2.8
189.01868	10.5
190.02563	6.1
191.03430	74.0
192.00591	10.3
192.03783	3.6
193.01331	11.2
195.02837	3.7
201.01852	12.4
205.01422	3.8
207.02922	58.2
208.03250	4.7
211.02193	2.8
217.01389	7.5
219.02950	9.6
223.02441	54.8
224.02878	3.1
231.02997	3.2
235.02419	100.0
236.02751	4.3
245.00761	14.4
247.99527	5.5
251.01978	10.3
253.03600	3.0
255.05507	2.3
263.01910	7.6
271.06131	35.0
279.01434	3.8
307.00983	3.2
341.06619	5.3
383.40720	2.7
435.10715	5.3
471.13263	8.1
471.18677	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	470.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86692	1.1
63.02280	1.6
65.00187	2.1
69.41468	11.8
73.49463	1.2
78.53604	1.2
98.20483	3.2
102.48597	1.6
107.01275	3.0
113.73790	1.5
117.03384	1.4
148.22655	1.4
151.00266	6.1
156.04427	1.8
163.00244	2.9
171.03165	2.3
171.04482	1.5
183.04416	4.0
195.04305	2.3
197.06042	2.4
199.03877	1.9
211.03944	5.1
212.04755	1.8
222.14862	1.3
224.04837	2.1
225.05583	2.3
227.03441	15.8
228.03748	5.4
229.05058	2.2
239.03401	17.8
240.04179	3.4
240.06564	1.9
241.04984	3.6
250.05156	1.8
252.04259	1.5
253.05113	1.5
255.02963	56.6
256.03394	10.8
257.04474	1.8
266.04587	25.6
267.02844	9.6
268.03735	5.4
269.04492	8.6
278.04532	2.9
279.02963	2.1
281.04535	5.4
283.02469	100.0
284.02963	15.8
285.03915	19.6
286.04352	13.5
294.04092	27.0
295.04837	6.3
296.03207	3.6
297.04025	13.3
306.04022	7.7
307.04889	10.9
308.05673	7.7
323.04324	63.5
324.05081	42.5
325.05402	4.5
425.34784	1.4
430.08997	12.7
431.09756	2.2
432.10101	20.1
433.10779	1.7
443.09833	2.9
470.10898	88.8
471.11163	9.5
488.26733	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	4.7
56.53450	1.3
57.03326	3.5
59.01251	63.8
61.26561	1.7
67.45026	1.3
71.01253	40.5
71.58701	2.7
72.99177	3.6
73.02813	20.0
75.00783	1.6
75.14342	1.4
77.96306	1.4
79.91431	1.3
81.03335	2.1
83.01246	16.6
85.02821	25.7
87.00739	3.5
89.02338	6.0
89.79569	1.3
95.01253	3.5
97.02847	2.4
99.00724	8.3
101.02320	58.5
103.03871	1.5
111.00755	1.8
113.02325	18.2
123.00764	2.8
125.02323	7.0
129.01842	1.7
135.28157	1.4
141.01805	1.9
143.03378	3.6
145.04977	2.3
147.04457	1.7
151.00259	3.6
156.84818	1.5
159.02901	1.7
161.04454	11.9
169.01350	3.6
243.10817	1.6
255.02951	1.8
263.14972	84.3
264.15363	6.1
283.02628	1.6
409.20764	100.0
410.21115	9.4
469.09848	2.7
469.16992	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	469.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.9
59.01250	71.9
60.22277	1.0
61.98687	4.7
64.71752	1.1
71.01254	10.7
71.58727	1.7
73.02820	2.2
78.95757	2.1
81.03319	1.8
83.01266	4.8
85.02821	4.3
89.02313	7.2
95.62911	1.0
97.06480	1.7
98.39449	1.2
99.00780	1.5
101.02315	5.3
108.02017	1.9
109.02871	1.3
113.02316	7.4
119.03392	3.3
119.04852	1.5
119.08550	1.8
119.52193	1.2
121.06483	2.0
123.04382	1.6
125.02301	2.6
137.02304	1.8
137.09618	37.9
145.02853	1.9
147.08069	12.5
152.01033	2.2
153.01778	1.5
161.04495	2.7
163.03859	2.2
171.08041	3.5
181.02711	1.4
187.11229	27.4
188.11520	1.4
201.12788	1.7
203.14348	41.2
204.14700	3.0
211.13362	3.4
212.13684	3.2
227.03513	1.8
229.12318	16.9
230.12488	1.6
245.15404	5.6
247.13368	100.0
248.13774	5.9
257.15393	1.5
271.13400	26.0
272.13751	1.6
284.03506	1.5
289.14545	8.2
301.03754	1.3
301.14423	2.9
307.99969	1.3
319.15469	1.3
431.09885	1.8
437.05127	2.4
469.07693	5.5
469.15973	1.3
469.24832	1.9
470.07495	1.8
489.97165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16852	1.7
57.03315	5.0
59.01248	75.6
61.98707	2.6
71.01247	13.3
71.58215	2.5
72.99177	4.3
73.02805	2.2
75.00730	3.5
80.78990	1.5
83.01245	8.9
85.02826	4.9
87.00762	2.2
89.02330	6.3
97.02821	5.5
99.00756	3.5
101.02325	8.6
109.02841	7.0
113.02330	8.7
119.03381	3.8
119.04914	2.0
120.43933	1.7
121.06507	4.3
123.04418	5.0
125.02343	15.1
137.09615	100.0
138.09927	3.8
145.02873	5.9
147.08067	3.8
149.02350	6.0
151.00322	4.4
151.03900	2.3
153.01860	9.8
159.04384	2.4
161.04468	5.7
161.05923	2.9
161.13309	3.5
163.03886	5.8
165.01828	7.6
165.05510	1.9
166.02614	2.1
169.01279	4.7
171.08096	4.3
173.05946	2.4
187.11205	28.2
188.11580	2.5
203.07153	2.3
203.14328	34.1
203.16209	1.9
204.14743	3.7
205.04956	4.3
211.13438	1.9
212.13745	3.4
218.32204	2.1
227.14313	2.4
229.04950	1.9
229.12271	15.6
230.12817	2.0
238.15222	1.8
245.08157	3.4
245.15495	5.2
247.06100	3.9
247.13362	68.8
248.13742	5.5
256.46045	1.9
271.13422	29.2
272.13831	1.7
277.16626	3.0
289.07306	2.8
289.14471	8.2
299.05515	4.4
301.14404	3.7
317.06628	49.9
318.06909	5.2
409.20773	4.1
431.10233	3.6
469.18039	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	469.1139
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
50.43949	0.5
57.03322	5.9
59.01247	1.2
61.98695	0.9
70.15292	2.4
70.18407	0.6
71.01246	0.9
73.37575	0.5
78.95760	0.5
81.03347	2.7
83.01259	5.8
83.04892	0.5
89.02297	0.6
93.03347	1.3
95.01253	0.8
95.04903	2.5
96.95896	4.8
97.02817	4.8
101.02332	0.6
101.22001	0.5
108.02051	0.6
109.02830	17.9
110.03098	0.5
111.00757	1.2
121.02852	6.1
122.03634	1.1
123.00771	2.7
123.04405	11.3
125.02336	37.4
127.00169	0.7
135.04395	2.4
137.02345	26.7
138.03172	3.0
139.00238	1.6
139.03893	3.0
145.02846	8.3
146.03574	1.3
149.02327	5.3
149.05853	0.6
150.03107	1.1
151.03914	8.2
153.05424	2.6
157.06415	0.5
158.03523	0.6
159.04427	4.9
160.05251	1.2
161.02365	1.2
161.05966	5.0
162.03133	1.6
163.03903	0.9
164.01028	1.9
165.01851	16.7
166.02402	0.8
166.99731	1.4
167.03407	2.2
169.01357	0.7
175.03925	2.3
175.07562	2.0
177.05399	0.6
178.04689	0.5
179.03407	5.4
182.02075	3.3
183.04420	1.4
185.05959	1.9
187.03943	4.8
188.04636	3.2
197.04495	8.4
199.07564	0.9
201.05493	1.4
202.06285	1.3
203.03371	0.6
203.07054	12.0
205.05000	7.1
209.05881	0.6
212.04756	0.8
217.05069	0.6
217.08647	0.8
221.08125	2.4
225.05478	1.5
225.98224	0.6
227.03401	1.4
227.07063	2.2
229.04976	1.1
230.02119	0.7
230.05821	0.7
245.08148	16.7
246.08569	0.6
247.05960	1.2
253.05023	3.4
255.02960	2.4
256.03525	0.9
270.05194	0.6
271.06094	9.3
271.51413	0.5
272.06409	1.1
284.03140	2.0
285.03983	2.0
289.07166	100.0
290.07584	6.4
301.07419	1.1
303.08646	3.5
319.08136	4.4
331.08191	0.9
425.12421	1.6
431.09607	2.9
469.11002	1.5
469.17175	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	4.6
56.99697	0.8
57.03313	7.7
58.00462	1.2
59.01248	18.1
60.99168	1.6
61.00882	1.3
62.27701	0.4
67.01760	1.4
68.64710	0.4
68.99686	10.3
71.01250	39.9
72.01604	1.1
72.74522	0.4
72.99177	19.8
73.02817	6.2
75.00742	8.4
75.02454	4.8
78.95770	6.5
83.01253	22.5
84.99167	2.8
85.00898	6.2
85.02822	10.4
87.00751	7.4
88.98671	6.5
89.02315	3.1
96.96836	4.1
96.99204	1.6
97.99977	1.5
99.00752	30.2
99.02476	2.1
99.04386	0.6
99.99610	1.2
100.01077	0.7
100.98670	3.5
101.02319	7.1
103.00235	4.2
105.01809	0.5
109.02812	0.7
111.00760	36.9
111.02444	1.3
112.01077	1.6
112.98685	98.6
113.02312	1.5
113.99050	2.8
114.98354	4.8
115.00249	13.8
115.01945	3.6
116.00569	0.7
117.01820	10.7
119.03382	0.7
123.00749	0.5
123.04415	0.9
124.98698	3.5
125.00417	0.6
125.02353	1.1
125.99540	0.6
127.00260	2.6
127.01949	2.1
128.03435	2.6
129.00854	1.0
129.01825	20.6
129.03502	1.3
129.52388	0.6
130.02150	1.1
131.01419	1.0
131.03384	0.8
133.01303	0.6
135.02901	0.8
141.03523	0.9
142.99762	21.0
143.01456	5.3
143.03362	3.1
145.01323	99.7
146.01685	3.8
154.99771	2.3
155.01486	1.1
157.01318	5.5
157.03082	0.9
159.02904	0.9
159.04613	0.6
161.04488	1.3
165.04010	0.7
165.05421	1.2
168.99428	1.8
169.01396	1.1
169.03012	1.0
170.01456	0.5
171.00961	13.0
173.00826	23.3
173.02341	1.3
174.01181	1.2
175.02446	1.3
175.04007	0.6
179.03416	0.5
187.00720	0.8
187.02397	4.8
187.04063	0.9
198.03987	0.7
199.00484	2.7
201.01965	1.4
203.03651	2.1
205.03462	7.9
213.01967	1.5
217.01503	0.6
217.05266	0.7
231.03107	11.4
232.03464	0.5
245.04782	1.9
252.79765	0.6
262.06061	1.3
263.05777	57.0
264.06192	1.6
271.04773	0.8
305.06772	0.5
325.11319	1.9
333.06229	1.4
335.07880	0.9
341.10916	1.1
347.07892	1.8
365.08908	2.9
367.12524	0.7
381.08536	0.7
391.07004	4.4
393.08673	0.9
409.07910	5.3
419.06525	1.3
425.11417	0.6
437.07346	1.0
451.09018	13.1
451.15332	0.7
452.09082	1.0
469.10022	100.0
470.10318	9.7
470.16422	0.9
486.07260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01942	2.9
57.03325	5.4
59.01243	24.5
61.01644	2.4
63.87280	2.6
67.01758	7.5
69.49372	2.0
69.49685	20.9
71.01251	19.6
73.02819	12.0
77.61372	2.2
78.43897	2.5
83.01259	8.3
85.02830	3.3
89.02317	3.3
90.45049	2.6
95.01260	17.0
95.78826	2.8
97.02819	4.1
99.00816	3.2
99.04423	3.7
101.02335	9.3
102.02670	3.0
107.01273	5.9
111.00762	33.1
113.02334	9.5
119.03394	2.5
123.00761	39.0
124.01556	10.9
125.02339	34.5
127.00324	3.0
136.98682	3.4
137.02344	3.0
139.00264	76.3
139.03932	4.5
140.01057	45.0
141.01826	11.5
151.00255	3.1
153.01807	3.2
154.99771	3.5
155.03378	16.3
161.04518	5.1
165.01828	4.5
166.99768	100.0
168.00525	12.4
169.01335	51.6
183.02951	4.2
185.00833	21.4
200.39178	2.4
211.02403	9.0
219.62154	2.7
271.04532	15.5
313.05737	15.8
323.13266	4.9
324.13861	7.6
325.13895	10.2
366.14902	3.7
367.15063	9.2
432.37277	2.9
451.08698	13.4
469.09827	67.5
469.17981	10.0
470.10260	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	467.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.7
57.03310	4.4
58.00449	1.0
59.01250	50.4
67.01767	1.1
69.71676	2.8
69.72086	1.7
71.01250	32.5
71.27509	0.7
72.99172	1.3
73.02814	15.6
75.00742	1.5
81.03306	0.9
83.01258	10.7
85.02816	16.2
87.00744	1.6
88.07522	0.6
89.02328	4.5
93.03349	1.2
95.01253	2.2
95.65821	0.5
97.02811	2.0
98.20442	1.0
99.00758	5.7
99.04370	1.1
101.02319	34.8
102.02673	0.6
103.00272	1.2
103.03870	0.9
106.73022	0.7
107.01280	3.2
109.02831	2.7
111.00764	2.2
113.02323	12.9
119.03355	1.4
123.00761	6.6
123.04386	1.8
125.02334	22.3
126.02657	0.9
137.02318	2.4
138.03108	3.0
139.00290	3.0
139.03836	1.0
140.01022	1.3
141.01791	1.1
143.03387	1.5
151.00275	5.9
151.03941	1.0
153.01837	15.9
153.05432	1.1
154.99789	0.7
159.02899	3.1
160.06078	0.8
161.04442	15.0
163.06097	0.8
165.05527	1.1
166.99756	3.9
168.00545	1.0
169.01331	19.3
170.01660	1.5
175.03773	0.6
177.01878	1.2
179.05690	0.6
183.02901	1.8
185.00816	0.9
195.03122	0.7
205.03438	0.9
211.02444	1.5
261.13403	59.0
262.13675	3.8
263.07639	0.7
271.04684	2.0
287.04886	0.8
289.07184	3.5
305.05655	1.3
313.05688	9.2
319.10117	1.0
323.13434	5.4
365.14407	3.4
405.17416	0.7
407.19193	100.0
408.19467	9.5
467.07797	9.7
467.12000	14.1
467.17847	2.4
468.07666	0.8
468.12506	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.205
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	11.8
60.31902	1.7
60.60701	1.7
61.98702	4.4
71.01252	6.8
71.06507	1.7
71.06835	3.5
72.99171	4.5
78.95795	2.6
82.03560	1.8
85.02828	3.4
87.00798	2.3
87.04389	35.6
89.02320	3.4
93.03334	5.1
96.95908	1.9
101.02317	3.1
103.00217	3.2
108.02033	3.2
109.02827	3.9
113.02311	2.4
117.52602	2.0
123.00741	2.2
125.02337	6.1
135.04401	2.6
137.02345	6.8
152.01028	3.0
153.01843	4.0
163.03908	1.8
165.01846	3.7
168.00479	2.0
169.01352	5.5
209.89243	1.9
211.13345	7.9
226.26295	1.9
227.03476	5.8
255.02859	6.1
255.05154	1.9
269.17569	100.0
270.17899	5.3
284.03351	9.6
285.03928	13.3
323.13467	1.9
407.26263	2.3
431.09793	15.2
464.07455	1.7
467.08301	2.5
467.14279	3.9
467.20044	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	467.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47243	0.9
52.74727	1.0
55.01743	2.5
57.03322	32.0
58.00451	3.9
59.01249	100.0
69.03318	2.5
71.01250	50.9
72.99161	3.0
73.02819	56.5
74.03117	1.1
74.27084	1.1
75.00748	1.1
79.05395	4.4
81.03326	4.1
83.01261	15.5
85.02824	8.9
87.00764	1.5
89.02317	25.0
92.25782	1.1
95.01246	4.0
95.04915	1.3
97.06466	2.8
99.04385	15.0
100.04771	1.4
101.02319	44.1
107.01279	1.6
108.02046	2.1
109.02796	1.1
113.02326	16.3
113.05980	5.5
113.06602	1.0
115.71675	1.0
119.03374	8.8
123.00724	2.6
123.04414	15.0
125.02329	19.0
131.03349	1.7
138.03099	1.7
138.40382	1.2
139.00235	1.4
141.05492	2.4
143.03342	2.2
151.00282	2.2
152.00986	1.9
153.01894	1.1
153.05429	4.0
161.04428	11.5
161.08119	1.7
169.01332	13.3
179.05511	2.2
263.07687	2.3
271.14413	1.1
307.85126	1.1
313.05551	3.4
323.10233	1.9
323.13431	54.4
324.13647	3.8
365.14462	31.8
366.14685	2.7
405.17728	6.2
451.07629	1.1
467.11694	8.8
467.17630	41.5
468.12012	1.8
468.17941	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	467.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	1.4
57.03321	30.9
58.00463	2.4
59.01249	91.6
60.01573	1.2
69.03340	1.2
71.01249	55.5
71.34984	1.7
72.01566	0.8
72.99178	2.8
73.02816	63.8
73.49944	0.6
74.03152	0.8
75.00755	1.8
79.05396	4.2
81.03333	2.1
83.01256	17.4
84.01584	0.8
84.51921	0.7
85.02811	8.0
87.00729	1.8
89.02312	35.6
93.07243	0.7
95.01266	2.8
95.04906	0.6
97.02821	1.0
97.06464	4.2
99.00741	1.2
99.04393	20.8
101.02319	64.6
102.02695	1.0
109.06438	0.6
111.07622	0.7
113.02323	20.6
113.05952	5.1
119.03380	15.0
119.04227	0.9
123.04395	13.8
125.02319	6.8
131.03384	4.6
137.72050	0.7
141.05487	4.8
143.03458	3.3
149.04454	2.7
153.05472	2.6
155.03407	1.4
161.04457	19.9
161.05817	1.0
161.08104	2.9
179.05516	4.3
221.06563	0.8
233.06708	0.9
263.07703	3.9
323.10144	4.0
323.13431	100.0
324.13821	7.3
365.14474	62.4
365.19290	1.2
366.14764	5.2
400.67105	0.7
405.17609	14.7
406.17862	1.0
467.17651	76.6
468.17883	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	467.1191
Annotation	Glochidionolactone D
Peak:m/z	Relative Intensity
57.03324	7.7
58.00452	0.9
59.01248	26.3
68.99680	0.8
69.03313	3.9
71.00443	1.2
71.00844	1.8
71.01250	18.9
72.99168	2.4
73.02818	13.2
75.00732	1.5
79.01752	1.1
79.05398	0.9
81.03310	1.8
83.01261	5.2
85.02813	5.5
87.00728	0.9
89.01894	0.9
89.02327	8.8
93.03278	0.9
95.01253	5.0
97.02808	2.1
99.04388	3.1
101.02322	15.4
107.01270	16.1
107.04893	1.3
108.01358	1.7
108.02045	19.5
109.02833	9.7
109.64873	0.8
111.00760	3.4
113.02342	9.2
119.03381	4.0
120.02007	2.1
122.99903	1.5
123.00761	19.8
123.04434	5.8
124.01573	2.0
125.02331	78.5
126.02668	2.5
127.00228	1.8
131.03407	1.0
135.00853	1.0
135.04428	0.9
136.98653	2.3
137.02313	1.0
138.03111	5.0
139.00250	6.9
139.03862	3.3
140.01039	4.5
141.01820	3.3
141.05449	1.3
143.03403	1.7
151.00278	14.8
151.03853	1.0
152.01053	22.5
153.01892	8.1
153.05479	25.9
154.99815	1.0
161.04419	4.4
163.03825	1.7
165.01820	1.2
166.99869	1.0
168.00569	7.7
169.01329	100.0
170.01642	2.7
179.05545	1.0
181.01334	1.2
183.02811	2.2
183.12041	1.0
193.98459	4.0
211.02438	2.5
241.03392	1.8
243.02971	0.9
253.03654	1.1
297.06076	1.6
313.05643	25.5
314.05777	2.6
315.07227	7.9
323.09747	1.2
323.13391	23.2
324.13690	1.7
327.07074	1.2
365.14505	16.3
366.14456	1.4
405.17618	2.6
423.09286	16.7
424.09531	1.1
449.07022	1.2
467.07150	20.9
467.11697	89.3
467.17960	12.5
468.07895	5.1
468.12323	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	467.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12967	0.6
55.01746	0.8
57.03328	5.7
59.01250	18.3
65.00181	1.5
66.17577	0.7
67.01777	1.3
68.99689	3.6
69.03316	1.5
69.27208	1.8
69.27620	5.4
71.01251	16.8
72.50446	0.6
73.02816	8.9
79.05423	0.7
81.03343	1.6
83.00749	0.8
83.01254	14.2
85.02822	4.3
87.00755	1.0
89.02315	5.9
93.03342	2.1
95.01267	2.0
95.04874	0.7
97.02840	1.8
99.00738	1.0
99.04384	2.9
100.76080	0.6
101.02324	13.6
107.01264	7.8
107.82933	0.7
108.02116	1.1
109.02827	8.0
111.00766	5.0
113.02335	5.9
113.05990	0.7
119.03386	2.4
123.00780	7.1
123.04387	3.8
124.01566	1.0
125.02338	54.4
126.02668	1.6
127.00224	0.7
130.59239	0.7
136.98715	0.7
137.02345	3.9
139.00258	5.9
139.03851	0.9
140.01012	1.8
141.01825	1.0
141.05437	1.3
143.03398	1.1
145.02875	1.0
149.02310	1.9
149.04344	0.7
151.00273	25.0
152.00853	1.1
153.01839	100.0
154.02185	3.2
161.04486	4.5
165.01825	1.2
166.99765	9.1
167.03398	1.8
168.00566	4.1
169.01332	70.5
170.01695	1.9
177.01855	2.5
179.03433	0.9
179.05598	0.9
185.00821	1.9
192.29018	0.7
193.01343	1.2
195.02936	2.0
211.02394	6.8
219.02873	0.7
223.02348	0.8
241.03477	1.8
261.13422	4.0
271.04657	4.0
313.05640	43.8
314.06018	2.0
323.09732	0.9
323.13443	12.0
330.02374	0.7
365.14453	5.4
378.25458	0.6
405.17444	1.7
407.19144	7.0
439.08878	2.5
467.08240	93.5
467.17773	10.9
468.08551	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	466.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70090	0.1
55.39609	0.2
62.96270	0.2
69.20938	0.1
75.13975	0.1
75.22708	0.1
78.95773	17.5
87.92045	0.1
96.96840	0.3
98.20622	0.3
136.01579	0.6
152.99490	2.0
154.01454	0.3
154.02649	3.7
210.05296	8.8
211.05611	0.2
213.54022	0.1
228.06395	2.2
228.08684	0.2
237.22388	0.2
255.23251	100.0
256.23599	8.0
256.26382	0.2
466.29349	23.1
467.29663	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	467.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
67.10646	1.4
70.14645	6.2
81.17580	1.3
86.75544	1.2
150.93242	1.3
227.03423	30.0
228.03804	2.3
229.04994	7.1
255.02940	48.7
256.03552	6.6
257.04477	3.9
284.03244	62.6
285.04001	68.5
286.04370	4.4
383.92007	1.6
418.90109	1.8
422.79819	2.0
431.09781	100.0
432.10065	13.0
471.99155	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03307	2.3
58.84766	1.2
59.01245	9.4
69.03300	1.3
69.64072	6.5
69.64480	2.4
70.88461	1.3
71.01253	7.8
73.02801	5.0
75.11563	1.0
75.81686	1.1
80.69410	1.2
81.03342	1.5
85.02802	2.7
89.02303	3.3
95.01242	3.0
97.02793	1.4
101.02297	7.5
102.06470	1.5
106.81338	1.3
107.01263	5.1
108.02054	25.4
109.02234	1.4
109.02836	15.8
111.00773	1.9
113.02275	5.0
123.00762	11.2
123.04390	2.2
125.02333	26.4
126.02708	1.4
138.01831	3.1
139.00230	4.0
140.01036	1.9
151.00227	11.2
152.01041	41.9
153.01848	15.0
153.84279	1.4
168.00525	4.3
169.01321	51.4
169.02777	2.7
170.01646	2.1
173.75548	1.3
178.99850	1.5
193.98479	8.1
194.99277	1.5
211.02356	1.6
216.20059	1.4
284.18338	1.5
313.05634	13.2
315.03839	2.1
315.07199	15.8
323.13406	9.9
365.14337	3.0
366.32086	1.4
423.09299	22.0
424.09641	1.4
449.07224	4.2
467.08224	100.0
467.17908	3.5
468.08517	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	8.7
59.01237	24.2
68.99697	7.2
69.03315	5.3
69.35647	10.5
69.36041	50.8
71.01250	14.9
72.99180	74.0
75.00738	11.9
81.03327	6.7
83.01240	6.4
85.02849	7.6
89.02279	5.6
93.03329	34.7
97.02828	9.0
99.00720	11.5
101.02329	10.7
103.00255	33.0
107.01280	19.9
107.04922	16.8
107.10052	5.1
108.02058	12.3
109.02827	19.7
111.00742	11.8
113.02309	6.7
119.04967	7.8
121.02824	16.8
123.00759	24.3
123.04374	17.8
124.01500	9.2
125.02332	39.3
131.04910	9.2
133.02812	18.1
135.04411	21.7
137.02339	63.5
143.04822	6.6
145.02739	6.1
146.99240	20.3
147.04445	6.7
149.02350	22.1
149.05946	8.5
151.00272	31.8
151.03871	11.3
152.01045	12.4
153.01881	9.0
159.04387	6.4
161.02362	62.9
163.00204	11.2
163.03902	22.4
164.01027	6.4
165.01831	21.7
165.05463	73.9
167.03423	14.4
169.01305	10.7
170.54501	6.3
170.75008	5.7
175.03920	8.5
177.01843	28.0
178.99745	27.1
179.03389	27.6
181.04938	9.5
187.03882	8.4
189.01787	9.3
191.03432	8.5
193.01326	35.8
193.04980	25.7
197.04482	22.7
206.99313	7.4
207.02997	7.6
209.00772	7.7
213.04010	6.9
217.01390	7.0
219.02626	5.7
221.04453	16.3
227.03525	13.5
231.03110	8.7
243.03026	7.7
245.04448	6.8
247.02452	12.7
249.04048	7.7
255.02777	13.5
255.05090	89.3
261.03922	9.2
267.05060	25.8
271.02402	17.9
272.03220	15.6
273.04037	12.0
283.02499	8.6
284.03311	10.1
289.03531	15.2
289.07132	19.8
299.01910	18.9
300.02530	9.6
301.03479	8.2
311.04031	49.9
313.05478	8.1
317.03018	49.9
319.04559	8.4
341.06503	8.5
416.07458	8.0
417.08130	29.5
433.07693	27.9
449.07101	13.3
458.48251	7.0
467.08289	100.0
467.15210	12.4
468.09167	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	466.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70646	0.3
54.97642	0.3
59.01253	1.8
60.63161	0.3
65.51228	0.3
67.01765	0.3
69.03350	0.5
69.39906	0.3
69.40211	2.8
71.01247	3.4
72.99202	0.4
73.02807	0.8
79.01757	0.4
81.03294	0.5
83.01260	0.5
85.02827	0.9
87.00751	0.5
89.02306	0.6
95.01256	1.0
97.02836	0.5
101.02336	1.4
107.01266	5.5
111.00769	0.9
113.02317	1.2
122.03616	12.8
123.00746	6.2
124.01570	0.9
125.02330	33.3
126.02707	0.9
136.98700	0.6
137.02284	0.3
139.00299	1.5
140.01006	1.0
141.01799	1.0
145.02818	0.4
147.04388	0.5
151.00258	4.3
151.03932	0.4
152.03429	100.0
153.01875	0.4
153.03775	2.9
163.03824	0.3
165.01836	0.5
167.03424	0.6
168.00526	1.5
169.01324	44.7
170.01634	1.8
170.33389	0.3
179.03482	0.4
193.01303	0.5
203.76302	0.3
211.02412	1.4
225.22449	0.4
241.03519	1.0
253.03470	0.5
271.04520	0.7
313.05621	64.3
314.05945	4.2
466.09848	34.2
467.10123	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41636	0.9
55.01740	6.6
57.03323	4.5
58.00463	4.8
59.01246	79.3
61.98674	0.9
67.01755	1.4
70.21104	0.9
71.01248	95.9
71.58170	1.1
72.01589	1.7
72.99173	9.2
73.02811	22.3
75.00750	2.3
78.95782	1.2
79.01770	0.9
81.03329	1.5
83.01257	16.9
85.02821	34.7
87.00754	5.8
89.02311	66.3
93.03312	0.9
95.01253	7.9
97.02817	7.4
99.00755	8.2
101.02315	100.0
102.02670	1.2
107.01264	7.6
107.04887	2.2
111.00713	4.1
113.02321	44.5
114.02675	0.9
115.03871	1.6
119.03378	26.6
121.44334	0.8
123.00764	16.6
123.04382	1.3
124.01566	2.3
125.02321	31.4
127.00215	1.6
131.03427	3.9
135.04381	4.0
136.98679	1.7
137.02347	1.3
139.00272	4.9
140.01027	6.2
141.01779	2.3
143.03391	10.1
145.02780	1.2
149.04442	2.4
151.00273	7.4
151.11136	1.1
159.02908	3.0
161.04456	33.5
162.04778	1.1
165.01917	1.3
165.05354	1.2
167.01582	2.4
168.00543	10.7
169.01314	47.8
170.01682	1.6
177.04019	0.9
179.05518	26.8
180.05750	1.3
193.01331	1.3
211.02406	42.0
212.02786	2.3
221.06572	4.9
241.03421	1.8
249.36154	0.8
263.07611	4.1
271.04572	59.6
272.04926	3.3
303.05014	1.3
303.18109	3.9
331.06717	2.1
465.17523	70.6
465.23456	20.1
466.17804	10.2
466.23550	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	465.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	2.7
57.03313	1.1
58.00457	2.1
59.01247	29.4
64.81971	0.7
67.01744	1.7
69.03317	1.2
69.70500	4.8
71.01246	27.8
72.99183	2.9
73.02818	6.2
78.95777	1.0
79.01765	2.1
83.01257	7.0
85.02822	10.6
87.00748	1.9
89.02307	17.0
95.01262	4.7
95.28519	0.8
97.02834	2.6
99.00742	2.7
101.02314	29.1
101.22495	0.7
107.01254	10.0
107.04929	1.0
109.02856	1.2
110.00005	1.2
110.11414	0.7
110.12388	0.8
111.00754	5.3
113.02315	10.2
119.03371	6.0
123.00761	24.7
124.01567	3.4
125.02331	44.7
127.00245	1.4
135.04399	2.7
136.98668	2.2
137.02332	1.2
139.00241	7.9
140.01064	10.5
141.01834	3.0
143.03397	2.9
149.02304	1.1
151.00269	10.5
153.01802	1.0
154.99733	1.0
161.04449	8.0
165.01820	1.8
167.01718	0.9
167.03366	2.1
168.00552	15.0
169.01326	64.1
170.01747	1.4
177.03954	2.1
179.05482	6.0
211.02409	62.9
212.02757	1.9
221.06552	1.1
241.03442	2.8
271.04572	94.9
272.04993	4.5
299.92911	0.7
303.18234	1.6
313.05490	1.1
329.05203	1.2
331.06650	2.5
374.24341	0.9
437.22977	0.9
465.17596	100.0
465.23212	5.6
466.17874	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	465.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04953	0.6
59.01256	4.5
62.35371	0.6
71.01254	5.6
71.58299	0.8
71.58671	0.9
72.99197	0.8
73.02815	2.4
78.95756	1.7
80.81616	0.6
83.01257	1.8
85.02815	3.4
87.00739	0.7
89.02303	1.1
96.96883	0.7
99.00759	1.3
101.02303	5.3
107.04884	2.5
109.95565	0.6
113.02315	3.4
122.03638	1.8
123.08051	1.3
125.02338	3.0
131.08531	1.4
135.04410	57.4
136.05104	4.7
137.02350	4.4
147.04396	1.3
148.05191	1.4
149.05957	0.9
152.99490	2.7
157.06474	0.8
159.03050	0.9
159.04419	2.4
160.05255	3.2
161.04434	5.5
164.04697	8.8
165.01839	5.6
167.03423	1.6
171.08063	1.3
173.06006	1.7
174.03197	0.6
174.06775	24.5
175.07579	7.2
179.03357	1.0
187.07565	0.7
188.08353	0.9
189.09145	5.8
244.14655	1.3
245.15253	0.7
258.16223	100.0
259.16937	35.3
260.17389	1.8
273.14951	2.4
284.08997	5.9
291.16025	2.0
301.18106	6.7
313.18018	1.3
319.21103	3.2
320.21307	0.7
341.10297	1.0
367.11850	1.9
421.22244	13.5
422.22421	1.6
465.20792	5.8
465.27188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	7.2
63.68658	2.7
71.01240	5.5
71.09177	2.4
71.56181	2.5
79.77235	2.2
89.02294	3.5
101.02309	5.8
107.01266	4.0
113.02329	2.4
123.00765	12.2
125.02311	16.6
139.00249	3.1
151.00273	4.0
151.06010	2.7
168.00571	3.1
169.01344	27.6
211.02422	11.9
271.04620	15.7
313.05725	2.8
465.12424	100.0
466.12897	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	465.1397
Annotation	Catechin-4-ol 3'-methyl ether 3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
51.14787	0.7
57.03310	0.9
59.01254	3.5
67.01743	1.7
69.03316	1.1
71.01273	4.6
71.45010	1.5
72.55005	0.7
72.99147	0.9
73.02812	1.3
79.01763	2.1
80.56187	0.7
83.01243	1.7
85.02813	2.3
87.00725	0.9
89.02311	1.0
95.01257	2.5
96.95890	2.2
101.02320	2.6
106.04125	3.5
107.01266	12.8
109.02836	2.0
111.00752	3.2
112.58447	0.8
113.02299	2.0
121.06457	1.0
123.00766	21.2
123.04371	4.2
124.01555	2.5
125.02328	62.2
126.02693	2.0
127.00307	1.0
129.04016	0.7
136.98697	2.7
137.02357	1.4
139.00258	6.8
139.03877	4.0
140.01073	3.6
141.01793	2.5
151.00255	13.7
151.03934	2.4
151.07541	32.4
152.00652	1.0
153.01831	2.0
163.03934	1.3
164.01001	0.9
165.01862	0.9
168.00537	3.8
169.01331	67.7
170.01669	2.4
175.03934	2.0
177.01839	1.9
178.99762	0.8
179.03442	2.7
185.63472	0.7
199.03941	0.7
201.05791	0.8
211.02293	1.0
253.03714	1.1
285.04196	3.8
303.05136	2.2
303.08832	5.4
313.05624	14.3
314.05859	1.0
367.10318	1.6
465.14066	100.0
466.14435	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	465.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55331	0.8
55.01742	2.1
55.66788	1.0
57.03306	2.5
57.49931	0.9
59.00989	0.9
59.01248	10.9
63.02258	1.2
65.00192	12.1
70.93130	1.3
70.93474	1.7
71.01254	15.1
72.99177	0.8
73.02814	6.5
75.61575	0.9
77.25758	0.7
78.95776	18.0
80.02521	1.4
83.01256	10.9
85.02818	9.9
87.00725	1.0
89.02298	3.0
95.01247	1.6
97.02820	1.7
99.00734	3.1
99.33508	0.8
101.02318	14.0
103.03850	1.0
107.01270	17.9
108.02074	7.5
109.02867	0.8
111.00757	1.4
113.02364	5.0
119.03394	0.9
119.04964	1.4
121.02793	1.3
124.01521	1.4
125.02352	8.6
133.02792	4.1
134.02655	0.9
134.03624	12.9
135.04413	45.9
136.01556	6.5
136.04630	1.0
137.02245	1.3
143.03397	1.8
143.04874	1.6
145.02853	1.4
146.03642	6.4
147.04427	4.1
149.05977	5.1
151.00272	50.7
152.00699	1.5
152.99483	16.9
155.04886	3.9
159.02846	1.7
159.04327	1.2
160.01491	2.1
161.02335	3.6
161.04416	6.7
161.05928	4.2
163.03922	1.1
164.01067	11.7
164.04657	2.9
165.01817	2.2
169.01282	1.6
171.04356	3.4
173.02295	1.9
173.06067	1.2
174.03152	7.7
175.03914	5.2
177.01840	2.2
179.07031	8.3
185.05896	1.9
187.03891	2.8
188.04626	1.0
189.05444	2.7
195.04370	1.2
196.00052	13.5
197.05911	1.6
198.03171	2.4
199.03914	25.2
200.04448	1.3
201.01810	6.2
211.03883	1.1
213.05453	3.7
215.03407	6.0
216.04211	1.8
217.04967	5.0
229.05057	1.8
239.03419	1.8
240.04228	1.8
241.05023	9.0
242.05641	3.3
243.02930	1.7
255.06448	1.3
257.04465	13.2
258.05026	2.5
285.04031	100.0
286.04639	18.7
287.05536	5.3
299.05301	1.0
301.07114	1.6
313.10779	1.3
319.21252	25.3
320.21530	1.4
339.08456	2.6
351.30240	1.0
435.10794	8.6
447.10806	8.2
465.11795	37.3
465.27359	7.8
466.12173	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	465.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.3
58.49197	0.7
59.01241	2.9
66.57945	0.6
67.01744	0.7
69.03325	1.0
70.76882	2.3
71.01259	1.3
72.99189	0.8
77.03851	1.0
81.03323	2.4
83.00774	1.0
83.01249	5.9
93.03324	3.1
95.04890	2.1
97.02834	5.6
105.82333	0.8
108.02064	1.6
109.02132	1.4
109.02838	20.4
117.03309	1.0
121.02850	5.4
122.03620	1.1
123.04398	13.9
125.02335	31.2
126.02541	0.8
127.38850	0.7
132.02069	7.0
133.02832	1.1
134.03625	10.0
135.04451	3.5
137.02344	29.3
138.02672	0.7
139.03905	3.5
145.02864	7.2
146.03603	2.2
149.02322	7.4
149.05949	3.9
150.03107	1.1
151.03886	7.6
159.04478	4.0
159.85866	0.8
160.01569	26.9
160.05132	1.0
161.02357	6.9
161.05965	5.4
162.03076	2.6
163.00313	0.8
163.03909	2.3
164.00995	3.7
165.01839	39.5
166.02206	1.4
167.03360	1.8
174.03108	0.9
175.03922	29.3
175.05461	1.5
175.07462	1.5
176.04225	1.7
177.01842	2.2
178.02597	2.4
179.03381	5.6
183.13831	1.9
184.14183	1.0
185.05969	2.6
187.03935	6.3
188.04674	3.0
189.01837	0.9
193.04990	7.4
201.05492	2.1
202.06296	2.1
203.07083	12.2
205.04991	6.6
212.04715	0.8
217.01334	1.1
221.08109	2.3
227.07100	2.5
229.05046	1.3
231.03011	1.8
242.05812	0.8
245.08159	15.7
246.08508	0.8
253.05080	1.3
257.07968	0.7
271.06122	6.5
283.06198	0.8
289.07166	100.0
290.07486	8.9
297.07831	0.8
299.09195	8.1
315.05392	1.1
315.08786	3.8
322.49487	0.9
341.06598	4.4
421.12936	0.9
465.11978	4.5
465.22406	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96283	0.8
57.03308	1.6
59.01248	3.0
63.02275	2.0
65.00181	10.4
70.87277	1.8
71.01263	0.8
72.99184	1.2
78.95785	2.6
80.02561	1.1
83.01263	5.9
92.29977	0.9
93.03340	5.8
95.01272	1.5
97.02821	0.9
101.02322	1.5
105.06928	0.9
106.04130	2.4
107.01265	15.3
107.01945	1.3
107.04929	5.2
108.02060	7.8
109.02831	1.0
113.02332	1.1
121.02828	1.5
122.03620	1.2
123.04393	1.0
124.01576	2.1
125.02322	10.4
133.02805	2.5
134.03636	12.8
135.04408	35.5
136.01541	5.8
136.04939	0.8
137.02319	7.1
143.04922	1.2
145.02876	1.0
146.03638	7.1
147.04391	3.9
149.05940	6.3
151.00261	47.1
152.00645	1.9
152.99504	3.7
155.04970	3.9
158.03629	1.8
159.04466	1.5
160.01534	1.6
161.02374	2.5
161.04425	0.8
161.05969	4.1
162.03093	0.9
163.03873	0.8
164.01051	12.5
164.04715	3.1
165.01814	8.6
165.05547	0.9
167.03482	1.4
169.01321	2.1
169.06508	1.0
171.04466	2.5
173.02400	1.1
173.05957	1.3
174.03127	6.2
175.03909	6.9
175.07512	2.0
176.00984	0.8
177.01811	2.3
179.03441	2.0
179.07043	8.0
185.02353	1.1
185.06006	2.7
187.03792	5.1
188.04480	1.1
189.05469	2.7
195.04546	1.3
196.00058	12.6
197.05983	3.2
198.03152	2.3
199.03926	27.5
200.04471	1.5
201.01781	8.5
201.05469	1.3
203.03165	1.3
206.21138	0.9
206.97485	0.7
211.03929	1.0
211.22687	0.8
212.04910	1.0
213.05508	4.2
214.06203	0.9
215.03397	6.1
216.04066	0.9
217.04988	5.2
225.05571	1.1
229.04990	1.7
240.04211	1.4
241.05029	8.5
242.05754	4.3
243.02890	1.8
243.06665	1.2
257.04544	12.5
258.05280	1.7
267.03018	1.0
277.03284	4.8
283.09769	1.1
284.03271	1.1
285.04022	100.0
286.04572	16.5
287.05658	5.2
288.06372	1.4
299.05759	1.3
301.07190	2.2
313.10971	1.2
339.08752	1.8
341.10147	1.5
375.12161	2.1
389.09869	1.3
403.11511	1.3
435.10748	12.3
436.10986	1.7
447.10751	9.1
465.11859	44.8
465.18558	4.0
466.12296	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	465.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	8.9
59.01230	7.6
62.92110	1.4
65.00198	2.7
69.48866	11.1
71.01253	7.1
72.99173	2.7
73.02821	1.7
75.00742	3.3
83.01252	4.5
85.02836	2.2
85.81170	1.3
89.02312	4.2
93.03333	2.1
93.79716	1.4
95.01257	4.4
96.95889	9.2
101.02321	2.8
107.01263	1.9
107.04901	1.4
109.02798	2.9
111.00739	3.5
113.02287	2.6
119.04910	2.3
121.02840	3.2
123.00750	2.6
123.04399	2.6
124.01551	6.5
125.02333	100.0
126.02634	2.7
133.02841	5.8
137.02324	4.2
139.03857	3.2
139.55426	1.5
147.04468	1.9
149.02341	6.3
150.03146	2.7
151.00253	13.2
151.03874	4.9
152.01056	14.2
153.01788	6.0
163.00319	1.9
163.03828	1.5
165.01836	2.9
169.01314	4.8
172.05208	1.4
174.03156	1.4
175.03825	6.4
177.01859	5.9
178.99725	12.6
181.01205	1.9
186.77760	1.3
189.05522	3.9
191.03514	2.0
192.00432	1.3
193.01364	8.5
193.05031	3.3
199.03969	1.5
205.01326	1.8
210.08760	1.3
215.07056	2.6
217.05025	10.3
221.00903	2.0
231.06618	1.8
241.04939	2.1
249.00415	2.3
257.04370	1.9
259.06055	12.7
271.04688	3.3
273.07629	5.0
274.04800	2.6
274.08014	5.1
275.05579	8.6
275.08273	4.9
285.04037	25.5
286.04391	2.0
299.08182	1.5
301.07254	1.8
302.07416	2.7
303.05014	8.7
303.08038	2.7
303.21738	1.3
303.41202	1.4
421.11517	2.7
432.39832	1.3
437.10715	15.7
437.21011	1.3
447.09415	5.9
465.10300	98.1
466.10544	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34852	1.0
50.81522	1.0
57.03307	4.6
59.01247	100.0
59.07385	1.2
64.78516	1.2
65.00200	1.5
68.86595	1.3
71.01255	8.1
71.10313	3.0
72.99191	1.4
73.02825	1.2
83.01242	2.3
85.02851	1.6
85.46147	1.3
87.00775	2.5
87.35795	1.2
87.73483	1.3
89.02316	10.1
95.01245	1.8
96.95840	1.8
99.04365	1.9
101.02317	5.3
107.01227	3.8
107.04883	2.9
109.02858	1.6
113.02292	3.5
119.03381	4.4
121.02824	1.3
123.00790	6.4
123.04414	4.0
125.02330	39.1
137.02342	2.0
139.00279	1.2
139.03894	1.6
149.02304	3.3
151.00262	9.9
151.03847	8.4
153.01823	6.3
159.02850	1.4
161.04416	3.7
161.08092	2.9
163.00240	1.8
169.01340	15.0
175.03899	4.7
177.01796	6.1
178.99739	3.3
179.05501	4.6
181.27628	1.4
199.03996	2.4
217.05067	2.7
226.13370	1.7
237.29068	1.2
255.05109	1.9
275.05478	3.5
279.88867	1.7
285.04019	29.9
303.05093	23.8
304.05411	1.6
313.05637	13.6
405.21320	3.4
421.11530	2.0
447.09131	3.0
465.10486	20.5
466.10498	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1034
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03318	9.4
59.01254	5.0
65.00195	3.5
67.89180	0.6
69.91284	1.3
69.91696	2.9
71.01246	3.8
71.04893	1.4
72.99152	1.0
73.02815	1.6
75.00740	0.8
81.31966	0.7
82.95271	0.6
83.01251	5.3
83.02409	1.0
85.02826	1.6
89.02310	1.8
89.14033	0.7
92.00203	0.7
93.03328	1.6
95.01257	3.4
95.04874	0.9
96.95882	1.5
97.02834	1.2
101.02328	2.5
103.68780	0.7
107.01251	5.9
109.02853	5.6
111.00743	1.9
111.33707	0.6
113.02289	1.3
117.03352	0.7
119.03390	0.7
119.04905	1.4
121.02839	1.1
123.00758	4.7
123.04395	11.5
124.01585	4.6
125.02327	100.0
126.02637	3.1
131.04906	0.8
133.02873	0.8
135.04398	2.2
136.01523	0.9
137.02353	4.7
139.00287	2.0
139.03897	13.1
140.01099	0.8
145.02875	1.1
147.04385	1.6
149.02341	5.2
149.06036	1.3
150.03113	3.1
151.00273	15.6
151.03900	10.3
151.07466	3.4
152.01048	7.9
153.01822	10.2
161.02307	1.6
161.04437	0.8
163.00232	1.3
163.03926	3.4
164.01172	1.6
165.01840	2.3
165.05385	0.9
166.99760	1.2
168.00555	1.4
169.01317	16.8
170.01662	2.3
171.01895	1.1
173.02371	1.1
173.05969	0.8
174.03151	3.2
175.03911	19.1
176.04263	1.4
177.01836	19.4
178.02405	1.3
178.99789	13.9
179.03357	6.5
181.01346	1.8
185.05997	0.8
187.04005	1.0
188.04655	1.9
189.05492	5.0
191.03416	1.6
193.04979	1.0
199.03929	9.6
201.01868	3.3
213.05513	1.9
215.03456	1.4
216.04318	2.0
217.04999	11.7
222.72580	0.7
231.06520	1.2
235.05930	0.8
241.05005	9.6
242.05264	0.8
243.02933	1.5
257.04565	1.2
259.06094	5.4
275.05640	5.3
281.06662	0.8
285.04010	63.4
285.12277	1.5
286.04343	4.2
303.05084	50.1
303.08688	13.3
304.05386	3.5
313.05579	3.7
315.06293	0.7
321.15607	0.8
343.87509	0.7
355.06479	0.7
385.55215	0.6
387.12952	0.7
405.21136	1.3
447.09152	1.8
465.10419	32.2
465.27081	1.4
466.09952	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	465.1034
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03332	8.9
59.01230	7.6
62.92110	1.4
65.00198	2.7
69.48866	11.1
71.01253	7.1
72.99173	2.7
73.02821	1.7
75.00742	3.3
83.01252	4.5
85.02836	2.2
85.81170	1.3
89.02312	4.2
93.03333	2.1
93.79716	1.4
95.01257	4.4
96.95889	9.2
101.02321	2.8
107.01263	1.9
107.04901	1.4
109.02798	2.9
111.00739	3.5
113.02287	2.6
119.04910	2.3
121.02840	3.2
123.00750	2.6
123.04399	2.6
124.01551	6.5
125.02333	100.0
126.02634	2.7
133.02841	5.8
137.02324	4.2
139.03857	3.2
139.55426	1.5
147.04468	1.9
149.02341	6.3
150.03146	2.7
151.00253	13.2
151.03874	4.9
152.01056	14.2
153.01788	6.0
163.00319	1.9
163.03828	1.5
165.01836	2.9
169.01314	4.8
172.05208	1.4
174.03156	1.4
175.03825	6.4
177.01859	5.9
178.99725	12.6
181.01205	1.9
186.77760	1.3
189.05522	3.9
191.03514	2.0
192.00432	1.3
193.01364	8.5
193.05031	3.3
199.03969	1.5
205.01326	1.8
210.08760	1.3
215.07056	2.6
217.05025	10.3
221.00903	2.0
231.06618	1.8
241.04939	2.1
249.00415	2.3
257.04370	1.9
259.06055	12.7
271.04688	3.3
273.07629	5.0
274.04800	2.6
274.08014	5.1
275.05579	8.6
275.08273	4.9
285.04037	25.5
286.04391	2.0
299.08182	1.5
301.07254	1.8
302.07416	2.7
303.05014	8.7
303.08038	2.7
303.21738	1.3
303.41202	1.4
421.11517	2.7
432.39832	1.3
437.10715	15.7
437.21011	1.3
447.09415	5.9
465.10300	98.1
466.10544	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71470	0.4
57.03314	8.8
59.01245	10.7
63.02255	0.9
65.00185	2.7
68.99680	0.6
71.01250	2.1
71.05441	1.3
78.95759	0.7
81.03301	0.5
83.01247	6.0
87.00736	0.8
89.02301	1.5
93.03347	0.9
95.01260	0.8
95.04877	0.5
96.95863	2.2
96.96841	1.8
97.02848	0.9
98.02321	0.4
99.04415	0.6
101.02316	1.3
107.01268	6.0
108.01979	0.6
109.02830	3.1
111.00814	0.5
121.02852	2.2
123.00770	1.2
123.04411	5.0
124.01544	1.3
125.02323	89.8
126.02616	2.2
133.02840	1.0
135.00795	0.6
135.04379	0.5
137.02350	2.3
139.03896	2.1
143.04878	0.5
147.04359	1.1
149.02324	9.4
150.03134	2.1
151.00253	28.2
151.03908	3.9
152.01045	3.3
153.01823	19.3
154.02135	0.7
161.02292	1.0
161.04442	1.1
161.05959	0.7
161.08102	0.7
163.00275	7.0
163.03946	0.8
165.01808	0.9
166.02582	0.5
167.03334	1.0
169.01346	3.0
169.02560	0.5
171.04396	1.3
173.02338	0.6
173.05920	0.9
174.03069	2.2
175.03905	13.6
176.01089	3.9
176.04324	0.6
177.01842	20.3
178.02167	0.7
178.99767	15.7
179.03337	0.6
179.05431	0.5
180.00027	1.1
181.01360	2.1
185.05933	1.0
187.03926	0.7
188.04631	0.7
189.05496	3.1
191.03384	1.1
193.01466	0.5
193.04964	0.7
195.02933	0.7
197.06021	0.5
199.03911	6.8
201.01859	2.2
211.03931	0.7
213.05449	1.8
215.03433	1.3
216.04163	1.0
217.04990	9.7
218.05217	0.5
229.04948	0.9
231.06467	1.1
240.04298	0.7
241.04996	7.4
242.02191	0.5
243.02931	1.5
244.32779	0.5
250.44780	0.5
256.03690	0.7
257.04425	2.2
259.06055	3.9
267.02924	1.5
275.05548	8.5
284.03207	2.6
285.04007	100.0
286.04373	6.3
303.05057	84.2
304.05386	5.2
313.05527	0.8
315.07205	1.3
327.05026	0.9
341.05145	4.7
342.05765	1.7
405.21115	0.7
447.09430	3.1
465.10339	5.9
466.10867	0.9
478.32312	0.5
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
57.03326	2.2
59.01245	20.4
63.02263	11.4
65.00184	9.3
66.02668	1.8
68.99716	2.1
69.26324	1.8
70.05535	6.5
70.05953	4.1
71.01253	16.4
72.01595	2.5
73.02815	3.6
75.00742	2.9
83.01256	10.7
83.04865	2.3
85.02813	5.6
88.67722	1.8
89.02334	7.2
95.01257	9.1
98.20547	2.0
99.00742	6.1
101.02330	10.9
107.01270	22.6
108.02094	2.0
109.02823	17.0
109.99976	4.3
111.00790	10.6
111.71583	1.8
113.02336	5.2
114.49097	1.7
119.03412	3.2
119.04893	2.6
121.02800	2.2
123.00768	17.0
124.01569	7.3
125.02341	21.3
133.02856	5.4
135.00783	7.7
135.04291	1.9
136.07590	2.1
136.98715	4.2
137.02353	4.1
139.00253	24.4
139.03836	2.8
140.00906	2.5
141.01877	5.2
149.02359	2.4
149.99466	3.8
151.00267	59.5
151.03996	2.2
152.00882	4.1
153.01807	9.5
154.99644	2.5
161.02377	5.6
161.04477	4.0
163.00267	14.9
163.06055	3.3
164.00980	5.9
165.98943	3.7
166.99770	23.7
168.00604	9.3
169.01329	32.7
171.04404	3.2
175.03955	4.0
176.98209	4.0
177.01859	4.1
178.99765	100.0
180.00159	6.7
187.03920	4.3
189.01938	3.2
190.99799	6.0
193.01433	2.4
194.99281	18.9
199.03864	3.8
202.02570	2.5
203.03375	4.0
204.97722	6.9
205.01311	2.2
206.99338	10.4
209.11806	10.8
210.12125	12.4
211.12357	6.0
213.01874	3.9
214.02692	2.3
215.03391	5.9
217.01367	3.2
217.04942	2.4
218.02032	3.1
219.02869	2.7
222.98914	4.4
227.03491	4.7
227.12872	3.0
228.13145	3.2
242.02090	2.7
243.02965	11.0
245.00980	2.8
247.02356	3.5
253.09303	2.4
258.01703	4.4
259.02493	6.0
261.04077	2.5
270.01489	3.5
271.02457	15.4
271.04868	2.5
272.02844	8.0
273.03223	8.3
277.03391	2.3
279.78455	2.1
287.01953	8.5
288.02579	4.1
289.03207	3.6
299.01889	4.5
300.02255	6.6
301.02615	10.0
301.05740	3.6
302.03455	5.3
305.02942	4.8
315.01422	12.0
316.01987	5.1
317.02673	7.7
318.02969	12.7
319.03738	10.1
319.17642	3.4
332.01758	5.3
333.02545	24.0
333.18903	2.2
339.03659	2.5
421.07681	3.1
437.06958	2.5
447.05627	15.1
464.22049	2.4
465.06906	20.4
465.13950	9.5
465.22980	6.3
465.30786	5.3
466.07336	2.8
491.54782	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	464.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27175	0.6
57.03325	1.8
59.01249	2.7
60.18374	0.6
61.98701	100.0
69.51275	0.7
71.01257	2.0
71.57647	0.7
87.00735	0.9
88.87336	0.6
89.02330	1.3
95.01266	1.3
99.04391	1.4
101.02334	1.8
103.00224	0.7
104.70401	0.6
109.02839	1.0
123.00786	1.2
123.04430	0.9
125.02325	4.8
137.02382	0.9
142.77066	0.6
149.02371	1.4
152.00987	0.7
153.01816	0.9
156.96729	0.7
161.04526	1.2
161.08147	1.6
166.02654	0.8
166.99751	0.6
167.03299	0.6
169.01395	1.8
175.03912	1.4
178.09500	1.8
178.99794	0.8
217.05128	0.8
222.12126	0.8
225.94664	0.7
241.05081	2.1
285.04099	5.3
287.11493	0.8
303.05069	0.9
329.08853	1.6
388.80545	0.7
404.19186	0.6
405.21298	1.2
465.10922	1.3
483.15475	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	2.2
59.01245	20.4
63.02263	11.4
65.00184	9.3
66.02668	1.8
68.99716	2.1
69.26324	1.8
70.05535	6.5
70.05953	4.1
71.01253	16.4
72.01595	2.5
73.02815	3.6
75.00742	2.9
83.01256	10.7
83.04865	2.3
85.02813	5.6
88.67722	1.8
89.02334	7.2
95.01257	9.1
98.20547	2.0
99.00742	6.1
101.02330	10.9
107.01270	22.6
108.02094	2.0
109.02823	17.0
109.99976	4.3
111.00790	10.6
111.71583	1.8
113.02336	5.2
114.49097	1.7
119.03412	3.2
119.04893	2.6
121.02800	2.2
123.00768	17.0
124.01569	7.3
125.02341	21.3
133.02856	5.4
135.00783	7.7
135.04291	1.9
136.07590	2.1
136.98715	4.2
137.02353	4.1
139.00253	24.4
139.03836	2.8
140.00906	2.5
141.01877	5.2
149.02359	2.4
149.99466	3.8
151.00267	59.5
151.03996	2.2
152.00882	4.1
153.01807	9.5
154.99644	2.5
161.02377	5.6
161.04477	4.0
163.00267	14.9
163.06055	3.3
164.00980	5.9
165.98943	3.7
166.99770	23.7
168.00604	9.3
169.01329	32.7
171.04404	3.2
175.03955	4.0
176.98209	4.0
177.01859	4.1
178.99765	100.0
180.00159	6.7
187.03920	4.3
189.01938	3.2
190.99799	6.0
193.01433	2.4
194.99281	18.9
199.03864	3.8
202.02570	2.5
203.03375	4.0
204.97722	6.9
205.01311	2.2
206.99338	10.4
209.11806	10.8
210.12125	12.4
211.12357	6.0
213.01874	3.9
214.02692	2.3
215.03391	5.9
217.01367	3.2
217.04942	2.4
218.02032	3.1
219.02869	2.7
222.98914	4.4
227.03491	4.7
227.12872	3.0
228.13145	3.2
242.02090	2.7
243.02965	11.0
245.00980	2.8
247.02356	3.5
253.09303	2.4
258.01703	4.4
259.02493	6.0
261.04077	2.5
270.01489	3.5
271.02457	15.4
271.04868	2.5
272.02844	8.0
273.03223	8.3
277.03391	2.3
279.78455	2.1
287.01953	8.5
288.02579	4.1
289.03207	3.6
299.01889	4.5
300.02255	6.6
301.02615	10.0
301.05740	3.6
302.03455	5.3
305.02942	4.8
315.01422	12.0
316.01987	5.1
317.02673	7.7
318.02969	12.7
319.03738	10.1
319.17642	3.4
332.01758	5.3
333.02545	24.0
333.18903	2.2
339.03659	2.5
421.07681	3.1
437.06958	2.5
447.05627	15.1
464.22049	2.4
465.06906	20.4
465.13950	9.5
465.22980	6.3
465.30786	5.3
466.07336	2.8
491.54782	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	464.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	1.6
58.00470	2.7
59.01241	9.1
65.00229	2.0
65.99703	5.7
68.73428	1.8
70.90382	4.2
71.01255	5.3
72.99179	51.2
73.02849	2.1
74.90946	1.9
75.00742	3.2
77.00761	1.6
85.02792	2.5
87.00748	7.8
93.03314	9.5
95.01251	5.3
95.11172	1.7
96.95881	2.5
99.00750	3.2
101.02313	2.9
103.00230	12.6
107.04889	10.5
108.02019	2.4
109.02805	9.6
111.00777	3.3
113.02316	2.1
116.04941	1.8
118.02868	4.1
119.04901	10.4
120.04372	2.6
121.02859	4.6
123.00737	8.8
123.04366	3.8
125.02319	7.0
132.04430	13.2
133.02866	5.3
134.02364	5.3
135.04384	7.3
137.02322	13.4
139.00233	7.8
140.01024	5.2
141.01814	7.0
144.04414	8.0
146.02356	5.0
146.05980	7.2
146.99243	5.9
147.04393	6.0
149.05965	7.7
150.05482	3.1
151.00272	10.4
152.03473	2.0
153.01801	6.4
156.04428	6.1
161.04448	2.6
161.05959	3.7
161.08093	4.8
162.01872	8.2
163.00311	8.7
163.03925	4.8
164.03416	6.9
165.05472	58.3
166.99730	4.0
169.01312	3.3
172.03862	3.8
174.05489	5.5
175.03886	4.7
177.05479	5.3
179.03435	12.7
180.02939	8.1
181.04924	3.2
186.05580	3.0
187.03842	2.7
188.07033	2.4
190.01382	23.6
193.04918	9.9
200.03505	2.8
202.05025	3.4
204.06590	29.0
208.02455	49.1
209.02673	2.6
211.05801	2.0
214.05063	2.3
214.10643	2.1
218.04552	6.1
220.06052	7.2
232.06079	3.3
238.07179	2.1
254.04303	2.6
255.05061	100.0
256.05344	5.6
258.05261	3.7
294.06143	43.6
295.06442	3.0
300.06317	2.8
312.07208	19.7
313.07364	3.4
329.06451	1.9
356.07776	7.1
401.04883	3.1
405.04568	4.2
406.05359	23.1
421.11270	2.4
430.07776	1.8
446.07175	26.8
447.07541	2.9
464.08240	36.4
465.09396	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	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	4.2
59.01250	100.0
60.01586	2.8
65.00216	3.3
70.13516	6.8
70.13910	5.5
71.01256	43.4
72.99168	20.9
85.02812	8.7
87.00760	7.5
88.55453	2.9
89.02319	50.4
93.03345	4.8
95.01272	6.9
96.95963	3.6
101.02311	28.2
103.00223	3.8
107.04924	4.2
109.02855	3.7
111.00754	6.1
113.02320	23.8
119.03367	23.3
119.04910	11.2
121.02832	4.5
123.00806	8.8
125.02338	7.3
126.37057	3.8
131.03455	3.9
132.04475	4.1
135.04369	5.5
139.00246	7.4
139.07550	11.1
140.91690	3.1
143.03391	5.3
149.05951	3.5
151.00249	4.8
161.04443	15.3
163.03853	4.9
165.05434	20.0
166.99815	3.4
169.01308	7.7
179.05559	12.7
179.10725	4.2
190.01357	4.4
193.05061	3.5
204.06506	4.9
208.02460	13.2
232.33852	3.7
241.14391	17.7
255.05006	25.0
294.06177	6.9
299.99164	12.7
300.02216	3.4
301.00241	7.7
301.03589	9.9
312.07416	7.1
373.07422	3.8
403.19696	50.2
404.19702	3.9
406.05527	5.1
446.07309	9.5
463.04507	7.3
464.08475	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.5
57.03312	0.6
58.00457	0.2
59.01249	8.3
69.03341	0.2
69.38241	0.3
69.38652	1.5
71.01253	6.2
72.99176	0.9
73.02824	1.5
81.03333	0.2
82.48965	0.2
83.01263	1.0
83.04903	0.2
85.02805	1.4
87.00747	1.2
89.02316	4.8
91.03864	0.3
93.03334	0.2
95.01259	0.6
95.04925	0.2
97.02831	0.5
97.06448	0.5
99.00759	0.5
101.02323	5.7
101.02998	0.3
103.03903	0.3
107.04887	0.3
111.08038	0.6
113.02337	3.2
119.03385	1.4
125.02322	0.8
131.03375	0.4
133.04990	0.5
143.03389	0.5
151.00348	0.3
157.04849	0.2
161.02364	0.2
161.04454	2.1
163.03804	0.2
163.07489	0.3
165.05322	0.4
165.11356	0.4
165.12758	7.9
166.13139	0.3
179.05530	0.5
183.13820	100.0
184.14165	5.9
191.36217	0.2
192.02719	0.2
195.06589	0.4
207.06631	0.3
209.11757	2.0
227.12834	10.6
228.13148	0.6
235.08194	1.4
243.02933	0.2
253.09245	8.8
253.11870	0.5
254.09570	0.4
255.02969	0.3
261.53033	0.2
271.02466	0.5
300.02643	0.9
301.03452	0.6
301.10669	0.3
311.64603	0.2
316.02213	0.2
373.13028	0.3
417.24747	0.6
445.20914	0.9
463.21817	62.9
464.22162	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	463.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39806	0.4
55.01742	0.5
56.41928	0.4
57.03311	0.7
59.01251	7.2
59.01527	0.5
59.49776	0.5
65.00213	1.3
70.10822	2.2
71.01253	6.1
72.99193	2.0
73.02830	2.1
75.18179	0.4
79.01759	1.9
80.02574	1.1
81.03329	1.0
83.01286	1.2
83.04894	4.1
83.45274	0.5
84.02048	1.0
85.02801	2.6
86.55584	0.4
86.89764	0.6
87.00756	0.5
89.02317	3.9
93.03346	0.6
95.01304	1.3
95.04927	0.6
97.02805	0.8
98.19810	0.7
99.00745	0.9
101.02312	4.5
103.00261	0.6
107.01271	1.5
108.02084	1.0
109.02839	2.2
109.06441	0.5
110.00028	0.7
110.92024	0.4
111.00777	1.4
113.02332	2.8
119.04887	0.5
121.02850	4.3
122.03172	0.7
123.00768	0.9
124.01574	0.9
125.02335	2.2
125.05972	0.9
133.02849	0.6
135.04413	19.4
135.08037	0.5
136.04770	0.7
136.98747	0.7
137.02345	1.3
138.16182	0.5
139.00259	2.1
139.03935	1.3
140.22961	0.5
141.26337	0.4
143.03386	0.9
149.02347	0.7
151.00275	6.2
152.01060	1.5
161.02338	1.0
161.04509	3.3
163.00285	1.7
163.04018	0.6
163.11214	2.8
164.01060	1.2
165.01842	20.3
165.11180	0.4
165.12755	1.8
165.98999	1.6
166.02127	0.8
166.99782	1.2
169.01364	2.8
169.28470	0.4
171.04427	0.7
178.99788	4.4
179.03404	0.5
179.05518	0.7
181.12308	0.8
183.49535	0.4
187.03996	1.1
189.01822	1.2
190.99744	0.5
191.03384	0.6
191.10777	1.1
199.03941	1.0
199.13373	0.6
201.02005	0.7
203.03467	1.3
209.11769	100.0
210.10168	0.9
210.12065	5.2
215.03447	1.0
227.03534	2.5
227.12857	19.3
228.13205	0.9
231.02953	1.2
241.01328	0.6
242.02072	1.0
243.02928	4.8
244.03461	1.1
245.04346	0.6
253.09262	15.2
255.02969	6.2
256.03342	0.7
259.02438	0.8
265.14429	1.1
270.01605	1.5
271.02463	18.6
272.03119	4.6
273.03961	1.5
275.93655	0.4
283.02582	0.8
283.06033	0.5
287.01913	2.1
288.02328	0.7
299.01926	14.1
300.02676	17.3
300.06143	0.9
301.03500	11.3
301.07132	25.7
302.04187	0.9
302.07513	2.4
316.02188	11.9
317.02979	13.5
331.17596	1.5
389.15570	0.6
445.07532	1.0
463.08682	32.9
463.14816	1.1
463.21713	4.5
464.09070	4.1
464.22360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34781	0.4
55.01756	0.8
57.03316	0.5
59.01247	8.7
63.02262	0.5
65.00188	2.4
67.01752	0.4
68.99686	0.7
69.03352	0.4
69.29704	4.2
71.01256	6.8
71.04523	0.8
71.04887	9.7
72.99178	0.6
73.02824	1.5
77.03836	0.7
79.01759	3.5
80.02495	0.6
81.03332	1.4
83.01247	3.2
83.04888	4.8
85.02802	1.7
87.00746	1.0
89.02306	5.1
93.03344	2.4
94.32642	0.4
95.01267	2.6
95.04901	1.9
97.02813	5.6
99.00742	1.4
101.02322	5.0
107.01260	3.2
107.04917	0.8
107.82430	0.4
108.02083	1.0
109.02821	4.4
109.99983	4.5
111.00757	3.4
113.02328	2.6
117.03348	0.5
119.03374	1.7
119.04904	1.5
121.02837	4.8
123.00772	4.7
123.04414	2.4
124.01550	2.0
125.02341	5.9
125.05968	0.8
131.03320	0.5
131.04933	0.7
133.02831	2.8
135.00764	1.3
135.04391	1.8
135.08051	0.9
136.98749	1.3
137.02341	1.5
137.99504	2.8
138.03105	1.0
139.00279	6.9
139.03905	49.5
140.04259	1.9
141.01855	0.7
143.03378	0.7
143.04987	0.6
145.02962	0.6
146.03647	0.6
148.01552	0.8
149.02353	1.7
149.04904	0.6
149.05963	4.3
151.00266	10.7
151.03886	0.8
152.01064	2.5
153.01828	1.1
153.05487	0.7
159.04375	1.3
161.02341	3.0
161.04411	2.7
162.02768	0.5
163.00305	3.4
163.03902	3.7
163.11217	3.5
164.01071	2.6
164.98190	1.5
165.01845	13.6
165.12773	2.3
165.98975	5.9
166.02580	3.4
166.99719	4.0
167.03426	6.3
169.01320	5.4
171.04399	1.0
172.05174	0.6
173.05972	1.1
174.03102	0.9
175.03876	1.5
177.01854	1.7
177.05473	1.1
178.99776	6.9
179.03444	2.3
179.05487	1.0
181.04881	0.5
181.12289	0.7
183.02910	0.8
183.04419	1.0
183.08122	0.8
187.03932	1.5
187.07549	0.7
189.01880	1.3
190.02638	2.0
190.99825	0.7
191.03365	0.6
191.10689	1.4
193.01361	8.4
198.03200	0.6
199.03954	3.5
201.01881	2.6
201.05560	1.0
202.02640	0.8
203.03438	2.2
205.01353	0.8
206.99243	0.9
209.11763	100.0
210.12120	6.2
213.09140	0.6
214.02603	1.1
215.03532	2.3
215.07118	1.5
216.04121	1.0
217.01396	0.5
218.02121	0.9
226.02754	0.9
227.03516	3.7
227.06998	0.7
227.12822	16.1
228.13118	0.9
229.01422	0.6
229.08638	2.5
230.02185	0.7
231.02957	2.9
239.07097	1.1
241.14433	3.4
242.02155	1.6
243.02995	6.5
244.03539	1.3
245.04572	1.7
253.09265	12.7
255.02986	5.5
255.06569	1.5
256.03397	0.8
257.08139	3.1
259.02380	2.0
269.00900	0.6
270.01709	2.5
271.02460	33.1
272.02969	4.8
273.04205	2.5
273.07666	39.1
274.08035	2.8
283.06107	33.4
283.10770	0.8
284.06491	2.3
287.01993	5.2
288.02698	2.6
289.03333	1.3
297.07666	0.7
298.00900	0.8
299.01978	24.9
300.02679	16.4
301.03479	9.5
301.07153	23.0
302.04135	0.9
302.07495	2.6
313.05573	2.9
315.01593	0.9
316.02206	31.0
317.02966	41.2
318.03250	3.6
325.07263	1.4
355.06647	0.8
356.07443	0.9
381.64453	0.5
445.11697	0.7
463.08081	19.9
463.12610	37.9
463.21548	2.2
464.08298	3.1
464.12930	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	463.1245
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
52.87476	0.5
55.01758	0.7
59.01226	2.1
63.02249	2.3
65.00191	6.7
72.99160	1.8
77.31115	0.6
79.01769	7.6
83.01231	2.4
85.69016	0.5
95.01280	0.8
97.02806	1.7
105.85398	0.7
107.01263	7.3
107.04865	1.1
108.02083	0.6
109.02802	2.6
109.11435	0.6
113.02254	0.6
121.02839	17.8
123.00763	0.6
124.01559	0.8
125.02283	0.9
134.03622	1.0
135.04410	63.2
136.04698	2.0
137.02339	1.0
139.03900	5.3
149.02367	3.4
151.00267	31.5
152.00645	1.0
161.02296	1.5
163.00227	1.8
164.00941	1.1
165.01843	71.4
166.02145	2.9
169.01309	1.4
178.99776	13.4
179.03366	0.9
183.02843	1.4
187.03853	0.7
189.01878	3.5
189.05432	0.8
191.03372	1.1
193.01384	1.0
201.01881	0.7
201.05554	0.7
204.38283	0.6
207.02841	1.2
211.03928	0.9
215.03288	0.7
227.03424	1.6
229.04895	1.3
231.02834	1.0
243.02954	3.1
245.00868	0.7
245.04309	1.7
254.02100	0.7
255.02956	6.1
256.03348	0.8
257.04416	1.8
270.99811	0.9
271.02475	14.9
271.13239	0.7
272.02795	2.0
273.03891	2.5
283.02380	1.2
285.03961	1.2
299.02002	4.0
300.02716	21.7
301.03409	100.0
301.07043	85.3
302.03735	7.5
302.07385	6.6
316.02286	3.1
317.03040	3.5
325.06940	0.7
329.17578	0.7
445.07751	14.4
446.07901	1.4
463.08578	24.1
463.15488	1.5
463.25500	1.8
464.08856	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	463.1248
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
51.03582	0.3
55.01760	0.4
57.09537	0.3
57.38073	0.3
59.01241	2.3
65.00189	4.3
71.01256	1.3
71.04890	0.5
71.06597	0.4
71.06926	0.8
72.99183	1.3
73.02767	0.5
77.03836	1.7
79.01758	12.1
83.01266	0.5
83.64390	0.3
85.02806	0.4
89.02344	0.4
95.01236	0.7
97.02831	2.2
97.36179	0.4
99.00790	0.4
101.02313	0.7
103.00243	0.5
107.04935	0.4
109.02847	1.8
117.03464	0.3
120.08067	1.1
121.02839	22.1
122.03146	0.5
125.02330	0.6
133.02794	0.4
134.03629	1.3
135.04410	85.1
136.04758	3.1
136.07561	0.7
137.02325	0.8
137.27100	0.3
139.03894	5.0
140.04556	0.3
150.03094	0.5
151.00262	0.7
151.03914	0.6
154.01332	0.7
161.02284	1.6
164.07014	0.4
165.01839	100.0
166.02174	3.8
173.05954	0.5
179.03415	1.2
183.02863	1.6
191.03452	0.7
191.61841	0.3
201.05565	0.4
209.11765	0.7
243.02881	0.7
255.02896	0.5
257.04416	0.4
258.08725	0.3
271.02359	2.1
283.02475	0.6
283.06070	0.7
299.01874	0.8
300.02618	2.5
301.07147	84.2
301.14975	3.1
302.07474	5.5
316.01886	0.5
373.16150	0.4
388.75940	0.3
448.02240	0.4
463.12457	20.1
464.13171	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	463.1244
Annotation	5,7,3',4'-Tetrahydroxy-6-C-methylflavanone 7-O-glucosdie
Peak:m/z	Relative Intensity
50.16233	0.7
55.01762	1.3
59.01248	5.6
65.00203	1.9
69.78523	5.0
71.01266	3.7
71.04887	16.4
77.03851	2.1
79.01791	4.7
81.03338	1.0
83.01266	2.7
83.04900	1.6
85.02818	1.4
89.02303	2.6
93.03340	3.0
95.01264	2.7
95.04906	3.4
97.02827	12.7
101.02325	2.5
107.01280	2.9
107.04927	1.2
108.02043	1.2
109.02823	2.2
109.99961	2.0
111.00753	2.2
113.02323	1.3
117.03331	1.2
119.04897	1.3
121.02843	8.0
123.00779	3.7
123.04404	4.6
124.01546	1.2
125.02338	8.6
133.02846	3.5
134.03598	0.9
135.00717	0.8
135.04375	1.6
137.02339	1.8
138.03078	1.4
139.00305	4.2
139.03906	100.0
140.04243	3.5
145.02962	0.9
149.02307	2.0
149.05969	9.4
151.00253	6.9
151.03954	1.6
152.01025	1.3
153.05463	1.3
161.02338	1.4
161.04506	1.3
163.00304	1.9
163.03889	5.5
163.11241	1.2
163.48863	0.9
164.01091	1.1
165.01845	27.3
165.98984	3.3
166.02654	6.4
166.99756	2.0
167.03421	12.8
168.03639	0.8
168.26419	0.8
169.01381	8.3
171.07945	0.9
174.03116	1.0
175.03929	1.5
177.01849	2.5
177.05504	2.4
178.99805	3.6
179.03403	3.7
183.02921	1.0
183.08054	1.4
187.03952	0.9
187.07605	2.1
190.02594	4.5
191.03339	0.9
191.10583	1.0
193.01355	17.3
199.03888	1.9
201.05508	1.6
203.03508	1.9
209.11780	44.4
210.12177	1.1
211.07599	1.4
213.09096	1.6
215.03445	1.0
215.07112	3.6
216.04134	1.1
227.03441	2.3
227.06952	1.5
227.12837	6.4
229.08714	4.6
231.02914	1.1
232.03296	1.1
239.06973	3.9
241.14420	1.9
243.02960	2.9
253.09245	6.0
255.02940	4.1
255.06586	2.4
257.08197	5.7
259.02502	1.4
271.02451	17.6
272.02930	2.0
273.07675	65.6
274.07935	5.5
283.06119	60.8
284.06476	4.7
287.01950	3.5
288.02521	1.1
297.07785	1.1
299.01913	10.1
300.02676	11.1
301.03543	8.3
301.07166	39.5
302.07501	3.8
313.05542	7.1
316.02206	13.5
317.02982	16.8
318.03296	1.2
325.07187	1.7
355.06705	0.8
356.07480	2.3
435.13010	1.6
445.11456	2.0
463.13031	88.8
464.13364	9.2
488.60492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1241
Annotation	Dihydroscoparin
Peak:m/z	Relative Intensity
56.85349	0.4
59.01246	16.5
67.01760	1.4
69.03317	0.8
71.01250	8.5
72.99186	1.4
73.02833	1.3
73.40423	0.5
79.01752	1.9
83.01245	2.1
85.02808	3.9
87.00755	1.0
89.02311	3.5
89.75701	0.5
93.03275	0.6
95.01260	2.9
96.95879	1.7
97.02817	1.5
98.20560	1.3
99.00753	1.2
101.02315	7.3
103.00283	1.3
103.05358	0.5
104.99820	0.4
107.01263	10.4
109.02794	0.6
111.00748	3.0
113.02332	3.7
119.03396	1.6
119.04890	3.6
121.02864	1.1
123.00759	15.7
123.01654	0.8
123.04375	0.8
124.01585	0.8
125.02326	51.2
125.69668	0.5
126.02666	2.0
127.00234	1.5
130.04143	6.4
131.04918	24.5
132.05252	0.7
133.26143	0.5
136.98682	1.4
137.02304	1.0
139.00275	4.2
139.03906	0.9
140.01022	2.6
141.01778	2.7
143.03435	0.8
147.04414	0.8
149.02341	1.2
149.05971	14.0
150.03114	1.4
150.06317	0.5
150.99106	1.1
151.00259	11.1
151.01494	0.6
151.03893	1.6
153.01817	0.7
153.09041	0.5
154.99727	1.0
159.92281	0.6
161.04428	2.5
163.03897	2.3
165.05469	1.8
166.99687	0.7
167.03423	1.0
168.00560	3.9
169.01329	63.5
170.01657	1.5
178.99770	0.6
179.05528	0.9
193.01578	0.6
209.11777	5.9
211.02380	1.3
223.02316	0.7
223.13463	0.6
227.12842	0.9
229.45168	0.7
233.07906	0.6
241.03468	1.9
241.14404	1.3
271.02429	2.3
272.02750	0.5
281.24380	0.6
299.01596	0.6
300.02655	2.7
301.03384	2.9
313.05627	21.4
314.05957	1.3
403.19656	10.1
463.12439	100.0
464.12790	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	463.1244
Annotation	Dihydroscoparin
Peak:m/z	Relative Intensity
59.01263	2.5
67.01765	1.0
69.03321	1.3
69.34004	3.8
69.34415	1.0
71.01248	3.6
79.01743	1.1
81.03349	0.6
81.72052	0.4
83.01242	1.3
85.02828	1.0
85.32971	0.4
87.00761	0.8
89.02328	0.5
95.01254	1.4
97.02814	1.1
98.19730	0.8
101.02324	1.7
107.01262	8.0
111.00753	2.3
113.02315	1.6
114.63529	0.4
119.04903	0.6
120.33913	0.4
123.00763	13.3
124.01595	0.7
125.02328	47.4
126.02657	1.1
127.00270	0.7
130.04137	7.6
131.04912	23.7
132.05219	0.8
135.04422	0.5
136.98718	1.1
137.02306	0.7
139.00262	4.2
140.01059	3.3
141.01837	1.4
149.05971	14.3
150.06323	0.6
151.00273	8.8
153.01884	0.5
154.99747	0.5
163.03917	0.6
165.01752	0.6
168.00529	3.0
169.01326	59.5
170.01675	1.8
183.02946	0.5
193.01352	0.7
209.11774	1.0
211.02408	0.8
217.61954	0.4
223.02287	0.8
240.69914	0.5
241.03494	0.8
253.03574	0.7
255.02963	0.6
271.02451	1.3
273.07718	1.6
300.02667	1.3
301.03473	1.4
301.06894	0.7
313.05609	18.6
344.98898	0.4
463.12442	100.0
464.12750	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	463.1246
Annotation	5,7,3',4'-Tetrahydroxy-6-C-methylflavanone 7-O-glucosdie
Peak:m/z	Relative Intensity
50.48813	0.4
55.01622	0.5
55.01836	0.4
57.03398	0.4
59.01350	2.4
62.78263	0.3
65.00288	0.7
71.01368	1.8
71.04557	1.1
71.05005	4.7
71.58070	0.5
72.99266	0.8
73.02934	0.5
75.00381	2.0
75.00860	13.1
76.88068	0.4
77.03551	0.4
77.03950	1.1
79.01889	3.1
83.01361	0.8
85.02957	0.4
89.02448	1.7
93.02821	0.7
93.03460	3.1
95.01366	0.7
95.05026	3.2
97.02966	4.8
99.00855	0.5
101.02460	1.5
105.03409	0.4
107.01387	0.6
107.04384	0.4
107.05004	0.8
109.02943	0.6
109.92152	0.4
113.02462	1.0
119.03459	0.5
119.05013	0.5
121.02044	0.3
121.02839	8.0
122.03741	0.8
123.04408	3.3
125.02467	1.1
131.05032	0.7
133.02835	2.8
135.04405	2.5
137.02467	1.4
138.03178	0.9
139.03906	37.6
140.04333	1.1
145.02930	0.7
147.56825	0.3
149.02477	0.8
151.00285	3.6
151.04008	1.3
153.05531	0.9
157.06573	0.7
158.03673	0.7
159.04520	0.8
161.02452	0.6
161.04503	0.5
163.03949	2.3
164.01068	0.5
165.01843	15.8
165.05615	0.6
166.02625	5.1
167.03387	3.7
169.01419	1.0
171.04492	0.6
172.05312	1.2
173.05994	1.7
175.04030	1.5
176.08112	0.4
177.05452	2.3
178.99759	1.8
179.03522	1.5
180.04176	0.5
181.05093	0.9
183.02875	2.2
185.05946	0.4
186.06923	1.0
187.07565	2.9
189.01834	1.8
191.03487	0.4
193.01350	17.0
194.01779	0.8
195.02991	1.6
198.06941	0.6
201.05537	1.4
201.09250	0.7
201.21086	0.4
203.03441	0.8
204.04439	0.3
209.04469	0.5
209.11853	0.9
213.09207	1.6
214.06483	0.5
215.07039	2.5
219.02910	0.5
227.03572	0.5
227.07162	1.0
227.12860	0.5
228.08002	0.4
229.08643	10.4
230.08986	0.6
241.14336	0.6
243.02919	1.0
255.03017	2.4
255.06471	1.7
257.08157	6.6
258.08716	0.5
269.08310	0.8
271.02353	4.3
271.04550	0.4
272.02985	0.7
272.06665	0.5
273.07663	100.0
274.08017	6.5
283.06100	2.4
287.09082	0.7
297.07660	18.0
298.07959	0.8
299.01926	1.6
300.02731	7.4
301.03488	8.5
301.07101	59.0
302.04010	0.6
302.07397	4.1
315.08694	6.0
316.02139	1.0
316.09073	0.4
317.02878	1.1
325.07101	0.8
327.08548	1.4
343.08014	1.0
355.06494	0.4
357.08173	0.6
374.40140	0.4
403.19174	0.6
435.12976	12.2
436.12589	1.2
463.07700	6.3
463.12924	0.9
464.08270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1244
Annotation	5,7,3',4'-Tetrahydroxy-6-C-methylflavanone 7-O-glucosdie
Peak:m/z	Relative Intensity
50.16233	0.7
55.01762	1.3
59.01248	5.6
65.00203	1.9
69.78523	5.0
71.01266	3.7
71.04887	16.4
77.03851	2.1
79.01791	4.7
81.03338	1.0
83.01266	2.7
83.04900	1.6
85.02818	1.4
89.02303	2.6
93.03340	3.0
95.01264	2.7
95.04906	3.4
97.02827	12.7
101.02325	2.5
107.01280	2.9
107.04927	1.2
108.02043	1.2
109.02823	2.2
109.99961	2.0
111.00753	2.2
113.02323	1.3
117.03331	1.2
119.04897	1.3
121.02843	8.0
123.00779	3.7
123.04404	4.6
124.01546	1.2
125.02338	8.6
133.02846	3.5
134.03598	0.9
135.00717	0.8
135.04375	1.6
137.02339	1.8
138.03078	1.4
139.00305	4.2
139.03906	100.0
140.04243	3.5
145.02962	0.9
149.02307	2.0
149.05969	9.4
151.00253	6.9
151.03954	1.6
152.01025	1.3
153.05463	1.3
161.02338	1.4
161.04506	1.3
163.00304	1.9
163.03889	5.5
163.11241	1.2
163.48863	0.9
164.01091	1.1
165.01845	27.3
165.98984	3.3
166.02654	6.4
166.99756	2.0
167.03421	12.8
168.03639	0.8
168.26419	0.8
169.01381	8.3
171.07945	0.9
174.03116	1.0
175.03929	1.5
177.01849	2.5
177.05504	2.4
178.99805	3.6
179.03403	3.7
183.02921	1.0
183.08054	1.4
187.03952	0.9
187.07605	2.1
190.02594	4.5
191.03339	0.9
191.10583	1.0
193.01355	17.3
199.03888	1.9
201.05508	1.6
203.03508	1.9
209.11780	44.4
210.12177	1.1
211.07599	1.4
213.09096	1.6
215.03445	1.0
215.07112	3.6
216.04134	1.1
227.03441	2.3
227.06952	1.5
227.12837	6.4
229.08714	4.6
231.02914	1.1
232.03296	1.1
239.06973	3.9
241.14420	1.9
243.02960	2.9
253.09245	6.0
255.02940	4.1
255.06586	2.4
257.08197	5.7
259.02502	1.4
271.02451	17.6
272.02930	2.0
273.07675	65.6
274.07935	5.5
283.06119	60.8
284.06476	4.7
287.01950	3.5
288.02521	1.1
297.07785	1.1
299.01913	10.1
300.02676	11.1
301.03543	8.3
301.07166	39.5
302.07501	3.8
313.05542	7.1
316.02206	13.5
317.02982	16.8
318.03296	1.2
325.07187	1.7
355.06705	0.8
356.07480	2.3
435.13010	1.6
445.11456	2.0
463.13031	88.8
464.13364	9.2
488.60492	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87476	0.5
55.01758	0.7
59.01226	2.1
63.02249	2.3
65.00191	6.7
72.99160	1.8
77.31115	0.6
79.01769	7.6
83.01231	2.4
85.69016	0.5
95.01280	0.8
97.02806	1.7
105.85398	0.7
107.01263	7.3
107.04865	1.1
108.02083	0.6
109.02802	2.6
109.11435	0.6
113.02254	0.6
121.02839	17.8
123.00763	0.6
124.01559	0.8
125.02283	0.9
134.03622	1.0
135.04410	63.2
136.04698	2.0
137.02339	1.0
139.03900	5.3
149.02367	3.4
151.00267	31.5
152.00645	1.0
161.02296	1.5
163.00227	1.8
164.00941	1.1
165.01843	71.4
166.02145	2.9
169.01309	1.4
178.99776	13.4
179.03366	0.9
183.02843	1.4
187.03853	0.7
189.01878	3.5
189.05432	0.8
191.03372	1.1
193.01384	1.0
201.01881	0.7
201.05554	0.7
204.38283	0.6
207.02841	1.2
211.03928	0.9
215.03288	0.7
227.03424	1.6
229.04895	1.3
231.02834	1.0
243.02954	3.1
245.00868	0.7
245.04309	1.7
254.02100	0.7
255.02956	6.1
256.03348	0.8
257.04416	1.8
270.99811	0.9
271.02475	14.9
271.13239	0.7
272.02795	2.0
273.03891	2.5
283.02380	1.2
285.03961	1.2
299.02002	4.0
300.02716	21.7
301.03409	100.0
301.07043	85.3
302.03735	7.5
302.07385	6.6
316.02286	3.1
317.03040	3.5
325.06940	0.7
329.17578	0.7
445.07751	14.4
446.07901	1.4
463.08578	24.1
463.15488	1.5
463.25500	1.8
464.08856	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	463.1044
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
59.01250	15.2
60.01575	1.2
61.98672	0.8
63.02263	1.0
65.00180	1.8
72.99158	1.5
73.02816	0.4
77.03791	0.4
78.95768	0.9
83.01224	1.6
85.02802	0.8
89.02306	1.4
95.01241	0.5
101.02290	2.0
102.02665	0.4
103.00230	1.2
107.01263	4.2
113.02304	0.8
119.03362	0.5
121.02773	0.8
125.02319	0.9
132.02051	0.8
133.02841	11.4
134.03181	0.4
135.04489	0.5
142.48787	0.4
146.99310	0.6
149.02353	2.3
151.00267	7.7
152.01051	0.5
152.99509	2.0
159.02858	0.4
161.04436	1.1
171.04472	0.4
175.03949	3.6
183.04414	0.8
189.05460	0.5
197.06027	0.7
198.03203	0.5
199.03932	3.0
201.01831	1.1
209.11758	1.2
210.27855	0.4
211.03891	0.8
213.05522	0.7
213.74059	0.5
215.03346	0.4
217.00259	1.0
217.04980	1.7
226.94421	0.4
227.03484	2.2
229.84566	0.5
239.03313	0.4
240.04318	0.6
241.05003	1.4
243.02916	0.4
255.02950	36.6
256.03711	28.1
256.06503	0.8
257.04184	2.2
269.04318	0.5
271.02499	1.0
281.04623	0.8
283.02463	57.4
284.03226	76.1
285.04004	100.0
286.04346	5.9
298.04785	0.6
300.02850	1.4
301.03769	0.6
326.04303	1.5
327.04987	0.9
366.09424	0.7
402.25687	5.2
403.25989	2.7
433.09091	1.3
445.09369	2.4
463.10318	14.9
463.15604	0.8
464.10870	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00194	1.0
69.29356	1.4
69.29773	3.8
83.01236	0.6
107.01263	2.0
108.02051	0.7
109.02800	1.2
121.02814	1.6
124.01533	0.6
124.83424	0.5
136.01637	0.6
148.01570	1.0
149.02399	0.7
151.00276	9.2
163.00298	2.3
164.01077	0.7
169.01324	1.2
169.44388	0.6
178.99771	6.5
182.03041	0.5
190.99608	0.7
191.39041	0.5
199.03915	0.5
211.03981	0.9
215.03360	0.8
216.04349	0.7
226.02635	1.4
227.03419	2.1
243.02950	6.3
244.03589	0.9
245.04471	0.8
254.02194	1.6
255.02956	21.2
271.02438	43.8
272.02945	5.0
273.03918	0.9
283.02567	1.4
299.01990	1.8
300.02725	100.0
301.03458	49.1
302.03897	3.4
316.02393	0.7
317.02753	0.9
390.76624	0.5
463.08798	73.0
464.09131	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	463.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50827	0.9
57.38274	0.9
59.01247	9.1
61.98719	1.1
63.88700	0.9
65.00191	1.0
70.60638	2.5
72.99184	1.8
73.02831	0.9
78.95768	10.2
80.23605	0.8
83.01260	1.1
89.02311	1.0
99.00808	1.1
101.02319	2.5
103.00275	3.4
103.93298	0.8
107.01294	4.0
107.95611	0.9
113.02348	1.5
125.02338	1.4
130.26549	0.8
132.02080	1.3
133.02843	10.6
149.02296	2.0
151.00270	9.4
152.99489	16.6
161.04419	1.1
171.00616	1.2
174.99248	1.1
175.03877	2.5
178.99719	1.2
183.04477	1.8
183.13843	2.5
188.04727	0.9
199.03934	3.4
201.01875	1.5
209.11755	6.7
217.00293	3.8
217.05144	1.1
227.03436	3.4
227.12877	2.0
230.32072	0.8
241.05031	1.0
243.03017	2.7
253.09360	1.5
255.02962	48.1
256.03732	36.4
257.04263	3.0
257.10834	1.2
271.02460	6.6
281.04395	1.0
283.02481	62.4
284.03241	100.0
285.04019	88.0
286.04373	6.0
297.03900	1.0
300.02728	5.5
301.03534	3.6
433.09277	3.0
445.09229	4.9
463.09470	12.2
463.21136	2.5
464.10223	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0878
Annotation	LMPK12113194
Peak:m/z	Relative Intensity
59.01231	4.6
63.02237	4.1
65.00185	13.8
71.01225	3.7
73.89131	2.1
74.66705	1.9
83.01245	7.0
93.03304	9.7
95.01224	3.9
107.01260	20.0
109.02805	3.3
109.99921	2.7
111.00764	17.8
117.03362	5.3
121.02811	4.5
123.00739	6.6
125.02333	15.0
129.02283	2.3
130.04123	2.2
133.02737	2.4
134.03568	3.8
135.00739	3.8
136.98665	3.3
137.02310	9.6
138.99414	2.2
139.00275	26.7
143.04866	7.0
150.99132	3.6
151.00269	54.0
152.00958	4.4
153.01740	3.9
155.04863	5.4
157.02844	2.3
159.04411	5.9
161.02290	3.7
163.00214	8.1
164.01003	5.6
164.98117	2.8
165.01736	2.5
166.99677	3.8
168.00500	4.6
169.01355	16.7
171.04382	9.4
174.03075	5.4
175.03896	4.2
178.99770	36.5
183.04381	3.8
187.03867	8.9
189.05478	4.3
192.00510	4.0
193.01340	4.3
194.99098	2.6
199.03906	10.9
201.01845	4.2
203.03287	6.2
211.03864	4.4
214.02623	5.0
215.03340	9.7
216.04050	7.0
217.04974	28.6
218.05309	2.7
219.02597	3.2
227.03398	11.7
231.02806	9.0
242.01976	6.2
243.02959	23.1
244.03409	2.9
245.04489	3.2
255.02959	18.2
256.03479	2.6
259.02417	15.8
260.02939	2.9
270.01584	7.9
271.02454	96.8
272.02884	9.6
273.03796	7.0
283.02551	3.6
285.03946	3.6
287.01947	26.4
288.02505	8.1
289.03506	3.9
298.98746	4.7
299.01974	74.4
300.02463	13.0
301.03513	15.3
301.06363	3.0
316.02194	71.7
316.99466	3.4
317.02988	59.9
318.03201	2.7
343.06592	5.8
363.10501	6.2
431.09634	3.3
435.09174	4.1
445.07425	8.1
460.94351	3.0
463.08560	100.0
463.25360	3.7
464.08932	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	463.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00185	3.0
69.43096	9.8
83.01254	2.2
87.47658	1.0
95.01256	4.3
101.13042	1.1
107.01312	2.2
109.02837	11.1
109.99976	9.9
111.00775	6.6
121.02822	1.9
123.00786	5.3
124.01546	3.3
125.02320	3.4
136.98674	2.4
137.02342	2.4
137.99467	3.1
139.00285	10.1
149.02304	1.4
151.00278	13.2
152.01064	7.0
153.01816	2.6
159.04402	2.0
163.00291	4.8
164.01012	3.3
164.98051	1.1
165.98961	7.1
166.99754	4.1
171.04424	2.7
174.03029	1.2
175.04002	1.7
177.01837	1.1
178.99745	12.1
183.04407	1.2
185.02287	1.1
187.03935	2.3
189.01813	1.8
199.03897	4.6
200.04471	1.1
201.01828	3.2
202.02475	1.4
203.03413	3.9
206.99245	2.2
213.01823	1.8
214.02634	3.2
215.03421	5.3
226.02559	1.7
227.03386	6.4
228.03947	1.5
231.02921	3.6
232.03534	1.4
242.02168	4.1
243.02942	11.8
244.03307	1.7
245.04454	1.5
254.02170	1.3
255.03001	6.2
259.02417	3.8
260.03168	1.5
270.01724	6.0
271.02454	44.5
272.03125	6.5
273.04053	11.1
287.01953	14.7
288.02603	7.2
289.03354	1.9
299.01944	33.4
300.02374	2.6
315.01465	1.4
316.02200	75.4
317.02963	83.1
318.03329	6.4
445.07724	2.1
463.08780	100.0
464.09229	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	461.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.5
59.01250	100.0
60.01595	1.2
70.84627	0.4
71.01256	8.0
72.99190	0.7
73.02821	2.2
78.95779	0.5
83.01266	1.1
85.02819	2.9
89.02312	7.5
93.03351	0.7
95.01273	0.5
99.00771	1.5
100.74495	0.5
101.02327	8.0
113.02325	4.2
119.03378	3.5
135.81432	0.5
143.03471	1.2
149.04454	1.0
149.42090	0.5
151.52861	0.4
159.02861	0.5
161.04465	5.1
179.03412	0.5
179.05560	1.3
181.17598	0.4
184.48201	0.5
207.10280	1.2
229.35020	0.7
297.08804	0.4
356.28015	0.5
401.25418	20.4
402.25671	2.6
461.24762	0.5
483.48193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12585	0.7
59.01249	100.0
61.98727	0.8
63.36206	0.6
66.91091	0.6
69.03304	0.7
70.93681	1.4
71.01253	9.4
72.99176	5.5
73.02830	3.5
78.95795	1.4
83.01270	1.7
85.02814	3.4
87.00749	1.5
89.02334	2.6
93.03303	4.2
95.01260	0.7
95.12946	0.7
96.96779	0.6
99.00763	2.7
101.02322	8.4
107.04915	3.2
113.02322	4.3
117.76452	0.6
119.03436	1.4
119.04917	1.2
120.02176	0.5
120.73814	0.6
121.02914	0.8
125.02373	1.1
135.04442	2.0
147.04411	1.0
149.04529	0.7
149.06000	1.4
152.03395	1.3
152.99519	2.6
153.03816	0.7
159.02898	1.2
161.04431	6.5
161.09657	4.6
163.03929	1.2
165.05504	4.2
169.01416	0.8
179.03430	2.2
181.04968	1.6
189.23196	0.6
193.05019	2.2
207.10211	1.6
211.06001	1.3
225.11348	2.5
233.08087	0.7
237.90236	0.8
241.01547	0.9
255.05193	2.1
255.11531	2.0
269.04651	0.8
270.01688	0.7
271.02478	0.8
297.00723	0.9
299.01968	1.1
299.10178	0.8
314.04449	1.1
315.01743	1.2
315.05264	0.9
347.11960	0.6
379.04428	1.2
383.24478	1.5
385.12488	0.9
401.25406	20.7
402.25662	3.4
461.08716	1.1
461.14801	9.7
461.20410	1.0
462.15314	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.8
57.03322	1.8
58.00467	4.6
59.01249	100.0
60.01573	1.1
61.98670	0.2
68.30455	0.2
68.99691	0.3
69.03328	2.0
69.40201	0.8
69.40627	1.0
71.01251	53.1
71.04878	0.3
72.01599	0.6
72.99177	6.0
73.02817	31.3
74.03152	0.4
75.00748	1.1
81.03330	0.9
83.01254	4.9
83.04908	0.3
84.02060	0.2
85.02819	18.3
85.99969	1.5
86.03133	0.4
87.00748	12.2
87.04382	4.6
89.02313	51.6
90.02671	0.7
93.03312	0.4
95.01271	2.0
97.02816	1.9
99.00758	1.6
99.04387	0.8
101.02319	63.5
102.02657	1.3
103.03887	23.0
103.04620	0.4
104.04200	0.4
109.02835	0.3
113.02322	11.6
115.03889	7.6
119.03385	21.9
119.04870	0.9
120.03725	0.4
125.02330	4.0
127.03920	2.5
131.03391	13.9
132.03748	0.4
133.04950	0.3
137.98416	0.2
138.96828	0.2
143.03397	17.0
144.03702	0.4
145.04967	7.3
149.04451	1.4
149.05977	0.2
159.02852	0.2
161.04471	2.0
163.06026	50.1
164.06393	1.4
165.05493	2.2
167.10674	0.6
179.03404	0.3
179.05528	3.6
189.04033	0.4
193.05019	0.3
205.07101	36.8
206.07451	1.5
211.13319	0.3
226.07327	0.3
229.07048	0.4
265.09326	2.0
280.21555	0.2
284.03381	0.3
293.08786	0.2
299.05569	0.7
299.09286	0.5
299.12851	0.4
315.17975	0.2
335.29816	0.2
413.84775	0.2
461.15482	0.5
461.24146	1.1
462.23892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37214	0.6
55.01752	1.9
57.03313	1.6
58.00460	3.1
59.01248	100.0
60.01580	3.9
61.01676	1.7
61.98702	1.9
69.03325	5.5
71.01250	64.1
71.58298	1.0
71.58649	0.7
72.01585	1.2
72.99184	4.7
73.02814	17.7
75.00751	2.3
81.03339	2.7
83.01251	5.0
85.02819	9.8
87.00749	5.2
87.04389	1.7
89.02313	85.9
90.02702	1.0
95.01279	2.4
97.02816	8.0
98.75609	0.6
99.00751	17.0
99.04405	1.1
101.02319	39.7
102.02693	1.6
103.03879	5.6
107.04982	0.7
109.02788	0.8
111.00798	0.9
111.04461	0.8
113.02321	8.6
115.03880	6.5
119.03559	4.5
119.04913	33.6
120.05241	0.9
125.02328	30.7
126.02673	1.3
127.03912	1.1
131.03387	12.6
135.04430	1.2
135.28888	0.7
136.05232	1.2
143.03401	7.4
145.04974	1.3
147.11797	1.2
149.04457	23.1
154.01416	1.7
161.04466	3.8
162.04755	1.0
163.03864	0.8
163.06018	9.6
163.07152	0.8
164.04715	5.2
165.05388	1.3
167.10681	13.0
179.03447	4.3
179.05597	1.5
179.07039	9.8
191.05528	8.1
191.06839	0.7
191.10751	2.0
192.93274	0.7
193.08665	2.7
205.07053	6.9
209.11815	2.1
221.11841	1.9
233.06613	14.9
239.12851	0.8
284.03403	2.3
293.08771	19.7
294.09192	1.6
297.00494	0.7
299.05685	2.9
299.09341	10.8
299.12949	6.4
311.10107	0.9
314.04260	1.7
400.24341	0.9
401.24707	1.9
403.23779	0.7
461.11203	1.0
462.11270	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36718	9.5
59.01251	100.0
61.10339	11.1
69.49616	35.1
69.50049	47.0
71.01250	99.5
72.99181	17.4
79.94331	10.0
83.01264	10.6
85.02798	16.8
87.00761	13.5
89.02310	85.7
93.03311	9.7
101.02316	42.7
110.11195	11.2
113.02350	38.6
119.03375	32.2
123.00730	15.0
125.02333	18.5
128.03371	13.7
128.68222	9.3
137.02316	21.3
138.06779	10.9
153.09157	25.4
161.04459	30.0
163.00439	10.0
165.05597	11.6
169.01312	19.4
169.71371	11.1
179.05666	11.3
221.11723	33.9
239.12737	16.7
258.78903	10.1
329.11401	14.1
363.09674	18.6
401.17944	13.8
423.09268	11.6
461.11514	13.2
461.17050	21.0
462.10333	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	461.1451
Annotation	4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-glucoside
Peak:m/z	Relative Intensity
54.28753	0.5
59.01250	3.1
61.98653	0.6
61.99010	0.6
63.02259	0.9
65.00203	1.6
69.45936	4.3
71.01270	0.9
79.01763	5.6
83.01267	1.2
93.03322	0.9
103.01755	2.7
105.03323	3.6
107.01246	2.7
109.02850	1.0
111.04398	4.3
119.04908	100.0
120.05260	3.9
123.00810	0.7
125.02287	0.6
133.02779	1.1
135.04405	7.1
136.01558	2.2
143.04903	1.3
145.02847	1.5
149.02351	0.8
151.00276	5.6
158.03722	0.9
161.02289	1.4
163.00246	1.0
163.03896	2.7
164.01013	6.4
169.01332	1.2
171.04446	1.5
173.02315	0.7
175.03868	1.2
176.14951	0.6
177.09099	2.1
178.98358	0.6
178.99850	3.6
179.03404	34.4
180.03764	2.0
183.04460	1.1
185.02336	0.8
186.03119	1.9
187.03828	1.0
189.01828	0.8
193.04976	1.0
197.04391	4.3
198.03146	0.9
199.03957	5.1
201.01866	1.9
203.03403	0.6
210.92619	0.6
214.02675	3.1
215.03418	2.9
216.00620	1.0
217.01291	0.7
221.11830	3.0
224.03242	1.0
226.02774	0.7
227.03433	3.1
229.01381	0.6
239.12865	1.4
241.01376	20.0
242.02071	8.1
243.02913	5.1
245.00873	9.7
255.02908	2.2
256.30759	0.7
257.00732	1.3
270.01663	19.2
271.02438	41.2
272.02887	1.6
282.01718	0.9
283.02484	1.3
284.06882	0.9
295.02582	0.8
297.00333	1.1
298.01151	10.6
299.01956	86.3
299.09204	96.6
300.02573	6.4
300.09595	9.3
301.03500	9.1
313.03436	0.8
315.01501	1.0
323.02069	1.3
341.02954	3.1
401.18091	3.2
433.07935	1.8
461.07214	42.5
462.07724	11.3
477.11536	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1452
Annotation	Cyrtopterin
Peak:m/z	Relative Intensity
55.01732	0.5
59.01228	0.5
60.33418	0.2
69.53821	1.9
79.01761	9.4
91.05416	2.8
93.03334	5.5
97.02789	0.4
107.04926	0.2
111.04395	4.3
119.04910	27.4
120.05212	0.8
121.02791	0.5
122.03641	0.3
123.00794	0.3
123.04362	0.4
124.01566	1.4
125.02324	3.2
135.04407	15.8
136.04771	0.7
145.02863	1.1
149.02344	0.4
149.99538	1.9
150.03149	2.0
151.03915	1.8
153.05421	0.8
163.03862	0.7
164.04698	2.4
165.05348	0.5
167.10744	0.3
168.00548	4.2
168.09583	0.2
169.01259	0.4
174.70654	0.3
178.02647	1.0
179.03412	36.7
180.03777	1.9
192.04251	1.6
193.04965	3.4
197.04498	2.0
205.04985	5.6
224.03232	1.1
251.95889	0.2
257.08231	0.6
298.04877	0.3
299.09222	100.0
300.09576	9.6
302.07364	0.2
461.14944	25.3
462.15216	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	461.1451
Annotation	Exoticin
Peak:m/z	Relative Intensity
59.01249	42.0
61.98683	0.9
71.01257	8.6
72.99177	58.6
73.02800	1.3
75.00739	4.5
78.95770	4.3
83.01297	1.2
85.02816	2.1
87.00732	6.4
89.02318	1.7
93.03333	49.4
94.03671	2.5
96.96849	1.3
98.19831	2.9
99.00745	7.5
101.02312	3.2
103.00232	3.1
106.04128	4.8
107.04900	23.0
108.02058	2.5
113.02308	2.4
115.00252	2.9
119.04902	4.4
120.05678	3.5
121.02824	2.9
123.04386	2.0
131.04936	1.6
131.08542	1.0
133.02855	8.2
133.10089	4.1
134.03615	2.8
135.04404	25.8
143.08537	2.0
146.07213	5.3
147.04408	4.2
149.05994	11.3
149.09639	1.8
152.04642	1.8
152.99490	7.1
159.08043	1.5
161.04430	1.9
161.09622	50.3
162.09908	2.6
163.03891	4.2
165.05475	39.0
166.05789	1.5
168.29491	1.0
175.02376	4.3
175.03835	2.2
178.01370	0.9
179.03403	23.2
180.03676	1.7
181.04979	12.4
193.04991	19.2
194.05338	1.5
205.08614	3.3
211.06003	6.5
229.35901	1.2
237.04092	1.5
255.05072	19.6
271.02420	1.6
299.01987	1.5
299.12399	1.4
314.04202	1.6
315.01358	1.4
315.04755	1.5
327.16010	2.5
371.14914	3.3
379.04504	1.2
385.12958	5.9
387.14468	1.7
401.25394	6.0
461.14511	100.0
462.14835	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	461.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
59.01241	0.9
69.43350	2.3
71.01255	0.5
79.01762	10.5
91.05401	2.2
93.03329	5.1
95.01270	0.3
107.01276	0.4
107.04887	0.3
111.04397	3.1
119.04907	34.4
120.05248	1.8
121.02834	0.5
123.00768	3.3
123.04410	0.3
125.02347	2.9
135.04405	14.7
136.04843	0.4
139.00220	0.3
141.01778	0.5
145.02881	0.8
147.04396	1.7
150.03090	0.5
151.00285	2.3
151.03912	2.0
153.05418	0.7
157.63702	0.3
161.05957	2.1
163.03984	0.4
164.04691	1.3
165.05444	0.6
168.00540	0.4
169.01328	4.7
178.02652	0.6
179.03409	31.5
180.03801	1.5
192.04184	0.8
193.04929	2.9
197.04417	1.8
205.05014	3.5
206.05428	0.3
211.02353	0.6
221.04541	0.4
224.03151	0.6
241.05020	0.3
255.10258	0.4
257.08313	0.5
269.04565	0.4
285.03983	0.8
299.09213	100.0
300.09546	8.8
313.05756	0.5
314.04364	0.7
315.04968	0.8
341.10120	1.3
461.10779	6.7
462.11026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.109
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
51.27654	0.5
54.95140	0.7
55.27983	0.5
59.01249	14.8
60.01574	1.2
61.98695	0.6
69.03323	4.6
71.01254	4.6
72.99175	3.1
73.02802	2.4
78.95753	0.8
79.01746	0.9
81.03309	1.7
83.01250	2.9
84.33648	0.7
85.02820	2.1
87.00714	1.1
88.28039	0.6
89.02320	1.3
93.03279	0.7
95.01246	2.2
97.02820	4.2
97.06492	0.6
99.00751	1.3
101.02303	2.7
102.22643	0.6
103.00232	1.2
107.01289	1.7
108.02025	2.4
109.02802	2.0
113.02316	1.9
119.03395	0.8
119.04892	2.0
121.02814	1.4
123.00767	8.6
123.04414	0.9
124.01560	22.2
124.57101	0.6
125.02338	63.6
126.02644	1.2
135.04376	2.3
136.01453	0.7
137.02303	2.7
145.02786	1.4
147.04398	5.4
149.02313	0.9
149.99490	39.3
151.00316	4.2
151.03864	0.9
152.01012	1.8
152.99544	0.9
153.01822	1.3
161.02287	1.2
161.04457	0.7
163.03894	2.1
165.01807	1.6
165.05449	1.9
167.03448	1.2
168.00552	69.6
169.01294	7.1
173.05916	0.8
174.03076	1.4
175.03876	1.6
177.01868	0.8
177.05486	1.0
179.03374	2.7
187.03964	0.6
189.05487	1.0
202.02644	1.0
203.03343	2.6
203.07071	1.7
207.10068	1.8
215.03334	0.8
215.06972	1.4
225.11221	2.5
231.06493	1.2
232.07423	1.4
233.08081	1.0
241.01187	0.9
241.05011	0.7
253.09135	0.9
257.08023	1.0
269.04477	1.9
270.01968	0.7
271.02438	1.1
275.09140	1.3
276.09912	1.8
285.03900	1.5
287.01825	0.8
298.04568	1.0
299.01767	1.6
299.05505	2.1
299.09225	2.3
299.12820	0.6
307.73950	0.6
308.07098	0.6
313.05588	2.3
314.04245	2.6
315.01495	1.1
315.04910	2.7
315.08417	1.0
315.18005	2.2
417.15506	5.5
443.09634	3.5
461.10742	100.0
462.11044	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	461.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00986	0.5
59.01238	3.6
65.00185	1.3
69.39886	0.5
69.45400	1.2
69.45810	3.2
71.01263	1.3
72.99162	1.4
74.95327	0.7
77.03825	0.8
77.44855	0.5
79.01763	4.8
83.01245	0.6
93.03333	5.6
95.01231	0.5
95.04857	0.6
97.02821	0.9
98.19791	1.2
101.02317	0.7
107.01231	0.7
108.02023	1.8
109.02826	3.0
111.00759	1.1
111.04421	0.6
113.02307	0.7
117.03319	0.8
119.04908	10.0
121.02843	5.6
123.00758	2.4
123.04374	1.3
124.01552	0.6
125.02325	3.6
133.02837	1.3
135.00719	0.6
135.04440	4.2
136.98697	0.8
137.02359	3.2
138.03142	0.7
139.00275	0.7
139.03894	1.1
145.02856	2.2
145.06503	0.6
147.04399	1.5
148.01526	1.2
149.02296	1.5
149.99496	0.9
151.00310	1.8
153.01834	1.7
157.06493	0.9
159.04396	0.7
161.02362	0.7
161.05968	2.0
163.00323	1.0
163.03877	1.1
165.01859	7.8
165.05450	0.7
166.02574	2.1
167.03358	1.8
167.04735	0.6
168.00529	0.7
169.01317	4.4
169.06435	0.7
171.04442	1.2
173.06009	0.7
175.03897	0.7
177.01848	3.1
179.03427	8.0
180.00575	1.1
181.07968	0.6
183.02852	0.9
185.05925	0.7
187.03905	1.2
193.01305	2.9
193.04900	0.9
194.01834	0.5
195.02917	0.6
197.06021	1.3
199.03908	1.1
199.07596	1.6
200.04549	1.2
201.05475	2.2
203.03424	1.4
205.04958	1.0
208.00006	0.9
210.03052	0.6
211.02223	0.7
211.03978	1.1
213.05455	2.2
215.03368	1.0
215.07117	1.1
225.05525	2.4
226.02626	0.8
227.03496	1.3
229.04991	1.7
230.05423	0.7
240.04245	1.9
241.04988	10.0
242.05469	1.0
243.02852	3.3
243.06625	1.7
253.04939	1.6
255.02776	0.6
255.05089	0.7
257.04532	11.8
257.08264	0.8
258.05051	1.4
259.06226	1.1
268.03757	1.7
269.04532	39.7
270.02374	0.7
270.04977	4.2
271.02463	3.8
271.06082	7.7
272.03156	1.2
273.04025	5.2
285.04022	40.0
286.04736	11.7
287.05310	2.4
297.04016	8.5
298.04434	1.7
299.02206	1.0
299.05704	1.9
299.09201	26.9
300.09583	2.2
313.03223	1.5
314.04300	54.2
315.05063	55.9
316.05423	4.4
328.05875	1.4
341.08902	1.0
412.50415	0.6
443.09766	0.9
461.10861	100.0
462.11215	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	461.109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31262	0.3
50.46430	0.3
50.95327	0.3
59.01245	1.0
70.89644	1.2
73.49129	0.5
79.92585	0.4
88.49143	0.5
93.03330	1.1
97.02802	0.7
108.02016	1.0
119.04916	0.5
121.02865	2.5
125.02312	2.6
131.22530	0.4
133.02817	0.7
136.01579	0.9
137.02321	0.5
139.00117	0.4
139.03883	0.7
149.02313	0.5
159.04375	0.6
165.01822	3.0
165.05466	0.5
169.01320	3.5
171.04427	0.4
174.03081	0.7
177.01953	0.9
193.01373	0.5
193.04944	2.3
197.05984	1.2
225.05615	2.2
239.05531	0.5
241.05013	67.5
242.05373	5.0
243.06596	0.7
253.05208	0.8
255.02971	1.3
257.04523	1.0
269.04532	100.0
270.05093	15.4
271.02463	0.9
271.05569	0.9
283.06100	0.5
285.03992	2.8
297.04028	0.5
298.04803	53.7
299.05515	22.6
299.09128	1.0
300.06030	1.3
313.05881	1.4
314.04248	4.2
315.05060	4.3
317.02933	0.5
330.03931	0.4
341.06619	1.4
461.10870	72.6
462.11212	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	461.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
69.58385	4.1
69.58736	0.9
75.31223	0.6
77.03838	0.6
79.01767	3.0
82.53908	0.7
93.03362	0.7
97.02824	1.1
108.02058	2.3
109.02858	2.4
121.02852	7.4
137.02322	0.9
139.03896	0.9
148.01500	1.2
149.02344	1.9
150.13242	0.6
165.01814	11.0
166.02296	0.6
177.01796	1.8
178.02597	1.0
183.02975	1.5
193.01385	4.8
197.06032	0.8
205.01370	1.2
206.02074	0.6
212.04837	0.6
213.05504	1.1
214.39496	0.5
225.05527	1.2
227.03445	0.8
240.04240	0.7
241.05014	28.2
242.02245	1.3
242.05399	2.3
243.02922	3.8
243.06564	0.6
243.58997	0.5
254.02261	0.6
255.03032	1.4
257.04538	10.3
258.04919	1.1
269.04541	43.4
270.01898	1.3
270.05069	6.3
271.02475	13.9
272.02792	1.1
285.04037	17.8
286.04562	2.1
287.05670	0.8
298.01358	1.2
298.04807	24.1
299.02075	1.1
299.05453	9.0
300.02701	1.2
300.05905	0.8
313.03561	1.7
314.04297	55.8
315.05072	43.7
316.05460	3.4
385.12927	0.6
461.10892	100.0
462.11255	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	461.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73875	0.5
55.12568	0.5
65.00191	0.6
70.98320	1.4
73.91645	0.5
77.03837	1.5
79.01761	3.1
89.13191	0.5
97.02802	1.4
105.03291	0.8
108.02039	1.6
109.02836	3.7
121.02843	9.5
131.08978	0.5
133.02840	0.6
137.02338	1.0
139.03873	1.3
148.01578	2.3
149.02321	2.9
165.01839	12.7
166.02150	0.8
177.01839	3.4
178.02454	0.7
181.06451	0.6
183.02962	1.2
193.01323	4.1
197.06133	0.9
198.20689	0.5
205.01340	0.9
213.05463	0.9
215.07039	0.7
225.05547	1.1
229.04967	0.7
230.05792	0.8
240.04297	1.8
241.04965	4.0
243.06708	0.6
245.02512	0.5
257.04520	9.0
258.05057	0.6
259.06049	1.7
268.03711	1.2
269.04550	20.2
270.01950	0.6
270.04919	1.6
271.02469	1.0
285.04019	41.4
286.04575	3.0
287.05542	0.6
297.04016	1.2
313.03571	1.4
314.04303	85.3
315.05054	100.0
316.05386	8.0
358.06827	0.5
377.05463	0.6
461.10867	84.3
462.11203	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	459.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.4
57.26836	0.3
59.01252	100.0
60.01592	0.9
65.30681	0.4
69.90865	0.3
71.01257	6.7
71.58627	0.5
72.99200	0.8
73.02831	0.9
83.01308	0.4
85.02831	1.5
87.00774	0.5
89.02316	7.1
89.92387	0.3
101.02323	3.4
107.04893	0.6
111.58857	0.3
113.02336	2.4
119.03406	2.7
121.02850	0.9
125.02376	0.4
137.02332	0.4
143.03416	0.7
145.02872	0.6
151.04024	0.5
159.02997	0.4
161.02338	0.4
161.04488	3.2
165.01889	0.4
166.04976	2.6
169.01358	0.4
179.05530	1.6
191.03418	0.3
227.03633	0.5
255.03084	1.2
256.03391	0.5
259.02490	0.5
281.08395	0.4
284.03275	0.8
285.03992	1.6
313.03473	2.0
314.04364	0.9
315.05118	1.2
396.09250	0.4
399.23926	2.6
459.08853	2.6
459.25906	0.4
460.09937	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00444	0.5
59.01252	100.0
60.01586	1.2
60.96764	0.3
70.45228	0.5
70.45584	1.1
71.01254	5.6
72.99196	0.5
73.53058	0.3
80.91617	0.3
85.02826	0.8
87.00789	0.3
89.02313	9.1
101.02338	3.3
104.98891	0.4
113.02318	3.0
119.03394	3.7
121.02839	3.6
131.03407	0.6
143.03409	0.9
161.04492	1.5
161.83528	0.3
179.05533	4.4
219.59698	0.3
242.33701	0.3
313.07401	0.5
399.23935	1.3
401.08722	1.7
459.26166	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77621	0.2
53.50300	0.2
55.01748	0.3
56.10034	0.2
57.03321	0.3
59.01249	100.0
60.01589	1.0
61.98731	0.2
69.03336	0.3
69.81516	1.5
71.01253	7.6
71.32261	0.2
72.99182	0.4
73.02818	2.6
83.01245	1.2
85.02818	2.8
87.00758	0.4
87.52321	0.3
87.90001	0.2
89.02314	4.6
95.01266	0.7
97.02832	0.2
98.20515	0.3
99.00740	1.6
101.02321	6.3
101.02995	0.4
113.02337	3.1
117.03363	0.3
119.03416	0.7
125.02388	0.6
131.03416	0.6
135.04442	0.8
143.03407	0.3
143.70734	0.2
145.02905	0.5
149.04456	1.8
159.02971	0.8
161.04456	5.1
167.10719	0.6
177.65143	0.2
179.14374	0.4
180.02631	0.2
191.05455	0.3
195.13809	1.5
202.04544	0.2
205.12326	0.9
223.13330	11.8
224.13681	0.7
253.09273	1.8
255.06615	1.4
279.10254	0.3
283.06219	1.0
302.77209	0.2
312.06470	0.9
313.07321	0.7
399.23865	11.8
400.24277	1.4
406.45947	0.2
459.12762	1.4
459.26907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
59.01247	100.0
60.01581	1.0
69.62392	0.2
71.01247	5.4
71.31271	0.2
72.99170	0.3
73.02813	2.0
75.00747	0.3
80.62299	0.2
83.01273	0.8
85.02821	2.5
87.00776	0.3
89.02293	1.7
95.01261	0.4
97.02863	0.2
99.00776	0.9
101.02313	4.3
101.02900	0.3
108.26237	0.2
113.02321	2.2
117.03363	0.3
119.03381	0.4
119.04919	0.7
143.03398	0.4
145.02864	1.0
149.04440	0.4
151.36459	0.2
159.02904	0.6
161.04445	5.0
163.03970	0.6
297.11258	3.6
399.23837	12.0
400.24231	1.2
443.22708	0.4
459.26367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.9
57.03331	1.0
59.01249	100.0
60.01598	0.6
70.43026	0.7
70.43418	0.7
71.01252	20.8
72.99209	0.4
73.02826	5.5
75.00764	0.5
76.80052	0.3
81.03341	0.5
83.01258	1.9
84.84660	0.3
85.02821	8.0
87.00764	0.6
89.02334	1.4
95.01268	1.5
97.02808	0.7
99.00750	2.9
101.02315	13.2
113.02322	9.3
114.02666	0.4
121.02853	3.2
125.02357	0.6
129.01912	0.6
143.03418	1.5
152.03424	1.8
159.02879	3.3
161.04463	28.7
162.04863	0.8
198.18442	0.4
205.03545	1.4
209.11658	0.5
219.17601	1.1
221.15399	0.3
237.18559	4.0
396.31604	0.4
399.23920	5.4
401.08978	1.4
459.18875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15181	0.3
53.19925	0.3
53.46299	0.3
59.01248	100.0
60.01587	0.7
61.98706	0.6
71.01253	6.1
71.48666	0.3
71.57977	0.5
72.99180	0.3
73.02830	1.7
78.91661	0.3
80.19539	0.3
83.01260	0.7
85.02810	2.4
87.00751	0.5
89.02310	3.6
95.01269	0.7
99.00788	0.7
101.02303	4.4
113.02298	3.1
119.03411	1.2
121.02859	0.5
125.02362	0.6
143.03465	0.5
159.02884	0.5
161.04453	4.6
179.05525	0.7
227.39308	0.3
233.06767	0.3
237.14931	0.5
237.18602	0.8
283.06256	0.4
315.25479	0.3
392.41333	0.4
399.23825	4.5
400.24387	0.3
443.23309	0.8
459.29730	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59559	0.2
55.01750	0.3
57.03320	0.5
58.00463	0.4
59.01248	20.9
59.53931	0.2
61.05663	0.2
69.03324	2.1
71.01250	5.2
71.04880	0.8
72.99190	0.4
73.02812	1.1
83.01234	0.6
83.04897	0.3
83.18880	0.2
85.02809	1.3
85.06453	0.5
86.13760	0.2
87.00754	0.7
87.04395	0.4
89.02318	4.3
93.03315	0.5
95.01257	0.4
95.04907	0.4
97.06429	0.2
98.19753	0.5
99.00762	0.4
101.02323	4.7
109.06462	0.4
113.02337	2.5
114.81908	0.2
117.03321	0.7
119.03403	1.4
119.04918	0.8
121.02836	0.2
125.02290	0.4
125.09579	0.3
131.03412	0.5
133.04926	0.2
135.11621	0.2
143.03355	0.4
145.02829	1.4
149.04335	0.2
149.09593	0.7
161.04456	2.2
161.13202	0.4
163.03896	1.0
164.84770	0.2
167.10672	3.2
168.10878	0.2
177.12709	0.6
179.05499	0.6
179.10791	1.0
179.14330	3.3
195.13826	11.0
196.14191	0.8
205.12257	10.1
206.12611	0.5
223.13336	100.0
224.13675	6.0
229.72026	0.3
233.96304	0.2
235.08157	0.9
237.11238	0.5
253.09247	17.4
254.09561	0.8
297.11310	3.2
298.11322	0.3
358.61111	0.3
399.24008	1.0
421.14984	0.2
423.22537	0.4
459.12384	0.5
459.17032	0.2
459.22205	3.2
460.22745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.7
58.00462	0.3
58.31656	0.2
59.01249	39.2
60.01584	0.3
61.98706	0.4
62.57919	0.2
67.13213	0.2
69.03323	2.4
69.50327	1.7
71.01252	6.2
71.04899	0.8
72.99176	0.5
73.02824	1.3
74.68888	0.2
75.00719	0.2
83.01263	0.8
83.04906	0.5
85.02821	1.7
85.06460	0.4
87.00762	0.6
89.02316	4.3
93.03327	0.4
95.01266	0.4
95.04883	0.3
97.06487	0.3
98.20506	0.5
99.00768	0.3
101.02319	6.8
109.06489	0.5
113.02328	3.0
119.03372	1.4
121.02858	0.3
121.27711	0.2
122.19905	0.2
125.02355	0.3
125.09624	0.4
129.01935	0.2
131.03354	0.4
141.09143	0.4
143.03424	0.5
145.02829	0.3
149.04446	0.2
149.09622	0.5
152.99385	0.3
153.09036	0.3
158.99316	0.2
159.02838	0.3
161.04457	3.3
161.13257	0.4
167.07050	1.9
167.10683	3.1
177.12762	0.6
179.05588	0.6
179.10674	1.2
179.14330	3.4
189.01857	0.3
189.04816	0.2
195.13843	10.0
196.14128	0.5
205.12273	10.1
206.12592	1.0
223.13338	100.0
224.13684	7.2
235.08163	0.9
253.09256	17.6
254.09578	1.0
297.11475	0.5
313.07184	0.3
399.23880	3.6
399.29041	0.4
400.24167	0.5
443.22897	0.8
446.25095	0.3
459.13162	0.4
459.15326	0.3
459.22232	3.7
459.28775	0.4
460.22507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49348	0.3
53.74195	0.3
56.84903	0.2
59.01249	23.8
61.98703	0.5
69.91910	0.3
70.92424	0.8
71.01254	1.4
79.01757	0.8
85.02805	0.6
86.30747	0.3
89.02293	0.9
91.07394	0.3
101.02314	0.9
108.02023	0.4
113.02306	0.8
117.03347	3.3
119.03495	0.3
119.04914	8.3
121.02816	0.8
121.06482	0.3
123.00764	0.5
125.02294	0.5
134.03601	1.0
135.04385	1.0
136.01529	1.1
137.02321	0.3
139.67625	0.3
145.02840	2.5
149.02336	1.6
149.05994	0.7
150.03136	0.3
151.00247	0.3
161.02361	0.3
161.04425	0.8
162.03041	0.4
163.03909	0.6
165.01817	0.5
175.02586	0.5
175.03914	2.7
176.04628	0.3
177.01854	1.9
177.05441	0.7
178.02615	1.3
179.03400	1.3
179.27553	0.3
186.03055	0.5
193.05031	1.5
203.03482	0.5
204.34354	0.3
223.07512	0.6
223.13316	0.5
225.05460	0.7
227.03558	0.4
227.07068	0.9
237.05580	0.6
239.07082	1.0
240.07774	0.7
246.76102	0.3
251.07175	0.6
253.05005	1.2
255.02930	1.2
267.06607	4.3
268.07422	1.4
279.06503	0.4
284.03256	1.1
285.04010	0.9
295.02615	0.5
295.06100	16.6
296.06873	100.0
297.07458	15.8
298.08096	0.7
312.02701	0.5
313.03470	0.8
313.10806	6.2
314.04254	0.5
314.11276	0.7
315.05078	1.0
399.23688	0.8
459.12955	65.6
460.13303	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	459.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66915	0.5
56.18626	0.5
56.53519	0.5
57.03310	0.5
59.01249	47.4
60.01566	0.7
61.98705	1.1
70.71975	1.6
71.01262	4.3
73.02801	1.0
79.01753	0.7
85.02840	0.6
89.02322	2.0
94.45872	0.5
95.01250	0.6
101.02338	2.2
101.22130	0.5
108.02086	0.7
113.02319	1.1
117.03342	3.1
119.03371	0.7
119.04911	9.7
121.02847	1.6
123.04419	0.5
125.02371	1.4
134.03622	0.9
135.04436	1.0
136.01501	0.7
145.02864	5.8
149.02319	1.0
149.05934	0.6
150.03181	0.6
151.03938	0.7
161.04471	1.5
163.03918	0.7
165.01759	0.7
169.01384	0.8
175.03911	2.6
177.01845	1.5
177.05473	0.7
178.02608	1.7
179.03389	0.9
186.03166	0.5
193.04951	1.4
194.21043	0.5
203.03542	0.7
209.11761	0.6
211.03848	0.5
223.13591	0.7
225.05466	0.6
227.03465	0.8
227.06969	0.7
239.07076	0.8
240.07883	0.6
253.04945	1.4
254.18379	0.6
255.02951	0.7
267.06641	5.2
268.07318	1.5
284.03262	0.6
285.04001	1.8
295.03680	0.4
295.06097	14.7
296.06876	100.0
297.07443	16.8
298.08203	0.9
299.02054	0.5
312.02850	0.7
313.03625	1.1
313.10800	8.0
314.04257	1.3
314.11414	0.7
315.05234	1.9
323.92313	0.5
399.23849	2.0
432.42447	0.5
459.12909	69.0
460.13364	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23168	0.6
59.01230	1.1
68.52640	0.6
69.38399	6.8
75.63697	0.6
76.66803	0.6
79.01765	1.0
93.03316	1.4
98.20480	1.5
119.04908	1.0
121.27615	0.7
132.01988	0.7
135.04404	3.4
137.05984	1.6
145.32957	0.7
150.03142	1.0
153.05362	0.9
163.03857	1.5
179.03448	1.9
188.83029	0.7
191.03368	1.3
201.05356	0.9
211.07570	1.7
225.05444	1.4
227.07111	0.9
239.07100	3.0
241.05014	12.7
242.05461	0.8
255.06587	98.3
256.06906	8.1
257.08145	1.0
266.06146	0.9
267.06754	3.3
269.04529	15.0
270.04977	1.0
283.06091	68.1
284.06726	13.3
295.06128	1.1
296.07153	0.8
312.06372	89.2
313.07135	100.0
314.07495	6.9
316.05716	0.9
459.12939	89.1
460.13229	10.7
460.19363	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23882	2.0
59.01247	20.2
63.52002	2.1
69.03312	3.2
71.01249	18.5
71.04897	3.0
71.57593	2.3
71.67869	2.2
72.99176	80.7
75.00728	2.7
93.03327	35.2
103.00188	2.3
106.04125	21.8
107.04902	3.2
108.02067	11.0
110.87619	2.3
119.04909	2.8
121.02853	3.9
130.04169	3.2
132.02017	14.6
134.03552	3.8
135.04414	7.4
138.03123	4.1
138.34648	2.6
141.91081	2.1
147.04408	7.3
148.01561	24.1
163.03925	2.9
164.04715	3.5
165.05490	6.4
192.04274	3.9
195.04459	3.4
205.12285	4.1
209.06067	2.9
221.08142	6.4
221.11778	36.2
222.12079	3.7
237.05583	17.5
249.11235	2.6
264.04666	2.3
267.48996	2.1
307.52878	2.1
311.12845	6.4
337.10623	2.9
369.13358	31.7
383.11264	7.7
397.12973	23.4
409.73560	2.6
459.12952	100.0
459.27460	2.8
460.13144	16.7
479.13474	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	459.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27818	0.4
57.34288	0.3
59.01253	2.9
63.02293	0.4
65.00222	0.8
69.56516	2.9
69.56862	0.6
71.01266	1.0
73.14448	0.4
73.62440	0.4
83.01274	0.7
87.00778	0.4
93.03405	0.5
104.60958	0.4
107.01237	2.1
109.02857	0.5
115.00276	0.5
117.03334	0.6
117.35844	0.4
121.02885	0.4
123.00775	1.1
123.04426	0.9
125.02333	1.2
135.00818	0.7
139.00272	0.6
145.02850	1.1
147.04448	1.7
149.02342	0.6
151.00249	4.9
157.02898	0.5
159.04553	0.4
161.02391	0.5
163.00294	0.5
163.03928	0.5
167.04968	0.4
169.01385	1.9
171.04448	0.6
175.02402	0.9
178.99780	1.0
183.04443	1.5
185.02388	0.8
187.03934	1.0
191.03416	31.4
192.00656	0.5
192.03743	1.1
193.01418	0.4
199.03914	1.8
211.03929	3.7
213.01875	1.3
217.04863	0.4
225.37817	0.4
226.02701	1.6
227.03436	13.5
228.03862	1.1
229.04875	1.0
233.64552	0.4
239.03528	0.9
254.02113	1.0
254.27733	0.5
255.02951	100.0
256.03354	8.0
257.00876	1.0
257.04419	0.9
267.02823	0.5
269.04504	0.4
270.01517	0.5
271.02478	0.4
283.02448	41.4
284.03113	14.2
285.04044	10.7
286.04080	1.0
287.01834	0.6
297.04245	0.4
297.07626	7.0
298.08054	0.8
312.02728	43.2
313.03415	18.9
314.03687	1.4
355.04517	0.6
431.09680	1.0
459.09161	73.8
459.17969	4.5
460.09592	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	458.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	1.9
59.01248	18.4
59.51252	1.1
60.20376	1.0
64.20845	0.9
65.99712	3.8
71.01251	3.2
71.58138	1.4
72.99177	66.0
73.02802	1.1
75.00756	4.2
76.92705	1.1
87.00751	4.9
92.01280	1.1
93.03331	22.3
97.56927	1.0
99.00763	4.2
103.00245	6.2
106.04115	2.3
107.04903	14.3
108.02022	1.9
109.02859	1.9
117.03342	11.9
119.04909	10.8
121.02844	20.1
123.04398	3.2
130.02892	2.4
131.03687	5.6
131.04916	5.3
132.04474	6.9
133.02852	10.4
134.03612	10.8
135.04404	13.3
139.14647	1.2
139.22057	1.3
144.04443	47.9
145.02849	50.3
146.03229	3.5
146.05989	3.1
146.99213	2.8
147.04425	7.4
149.05945	7.4
156.04430	7.9
158.02336	2.3
158.06033	3.8
159.04469	2.7
160.03946	12.5
161.02338	14.4
162.02919	1.3
163.03923	7.3
165.05472	40.4
172.03915	1.3
174.05515	20.2
175.03920	8.8
175.05939	1.3
177.05524	2.1
179.03441	10.2
181.05017	6.3
184.03957	31.1
185.04306	1.5
187.03851	1.7
193.05003	10.8
195.08119	2.9
200.03456	1.9
202.01366	1.6
202.05023	44.7
203.03503	1.2
203.05319	2.5
204.06555	7.5
209.09657	11.4
210.09924	1.2
211.06059	3.1
214.04988	1.3
218.04529	2.9
220.06113	4.7
223.07765	1.1
232.06073	2.3
250.07111	1.3
253.18010	1.3
255.05064	64.2
256.05365	3.4
267.05136	5.9
267.10266	4.5
268.05505	1.0
279.79626	1.4
283.09839	1.6
292.10178	1.2
294.06229	11.6
295.06512	2.2
295.09732	2.4
297.07532	1.4
312.07187	8.7
327.08749	1.7
336.07156	2.1
350.10178	6.5
357.09781	13.6
364.08417	3.1
366.09726	2.4
368.11365	9.7
382.09265	4.9
384.11047	1.3
418.18369	1.1
423.06570	1.5
440.09927	21.9
441.10077	2.0
458.10944	100.0
459.11227	14.4
463.69702	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	17.2
61.98688	0.9
71.01252	2.6
71.58388	0.6
72.99162	0.9
73.02794	0.7
80.96368	0.4
83.01273	0.4
85.02823	1.4
89.02321	1.7
89.18851	0.4
93.03371	0.5
96.24625	0.4
99.00764	0.5
101.02310	2.3
103.05344	0.5
109.02827	0.4
113.02358	1.4
117.03342	25.7
118.03707	0.7
119.03511	0.6
119.04910	11.9
120.05270	0.3
121.02844	0.8
125.02333	1.4
130.04126	4.5
131.04913	17.3
134.03630	1.1
135.04390	0.6
145.02847	100.0
146.03185	4.1
147.04434	1.0
149.05980	13.9
149.07175	0.7
150.06265	0.8
159.04449	0.4
161.02370	0.5
161.04474	1.8
161.05919	0.6
163.03922	8.1
169.01318	1.6
187.03891	0.7
189.97034	0.5
193.04958	0.8
197.59288	0.4
204.79031	0.4
205.04976	0.6
231.77666	0.4
247.06136	0.6
255.05025	0.5
302.18185	0.4
305.04709	0.4
307.08209	30.7
308.08582	2.4
345.57822	0.4
397.22311	0.9
450.15964	0.4
457.15048	20.3
458.15585	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	457.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35084	0.3
59.01238	1.0
59.28365	0.3
71.01251	1.2
71.05549	0.6
72.99163	0.4
75.00751	0.4
80.28307	0.3
84.38395	0.3
89.02316	1.5
92.85012	0.3
93.03307	0.6
96.61969	0.3
101.02361	0.3
103.00261	0.3
113.02278	0.3
119.04906	100.0
120.05238	3.0
123.04372	0.3
125.02348	1.2
131.03397	0.3
151.03903	0.6
153.01834	0.3
163.03908	85.2
164.04242	3.9
169.01353	0.6
180.27443	0.3
181.73308	0.3
191.03525	0.3
191.93082	0.3
205.05008	0.3
233.06657	0.7
265.66946	0.3
293.08740	1.1
303.05017	0.6
312.24670	0.3
325.09241	0.8
424.51920	0.3
457.13470	51.8
458.13797	5.3
465.85049	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0776
Annotation	(+)-Gallocatechin gallate
Peak:m/z	Relative Intensity
57.03315	5.2
59.01228	2.5
67.01772	3.5
67.46713	1.8
69.42937	19.3
81.03333	2.9
83.01270	6.6
95.01270	6.4
97.02831	8.0
98.20554	4.1
99.00723	10.0
107.01234	2.4
109.02838	15.8
111.00752	34.0
121.02848	5.3
123.00743	25.5
123.04411	8.5
124.01542	2.2
124.53592	2.1
125.02331	100.0
126.02688	4.4
135.04396	9.5
137.02332	30.3
139.00256	49.2
139.03906	4.3
140.00945	7.7
141.01797	9.8
145.02853	3.5
147.04451	2.8
149.02332	5.6
151.00273	8.4
151.03906	7.5
153.01848	7.8
159.04420	5.0
161.02371	13.3
162.03102	5.2
163.03929	4.0
164.01039	2.5
165.01794	7.2
165.98802	1.9
166.99753	71.3
167.03337	6.4
168.00255	4.5
169.01323	91.3
170.01620	5.0
175.03838	2.2
177.05418	5.5
179.03464	2.8
179.58710	2.3
182.99200	5.0
183.04343	2.2
184.00031	8.5
185.00821	36.2
185.88748	2.0
186.01025	2.1
191.03360	2.1
193.01285	2.9
201.05518	4.4
203.03352	3.8
205.04982	2.7
215.06947	2.1
218.41316	2.0
219.06535	4.6
219.12508	1.9
221.04735	2.1
225.05591	2.3
241.05003	2.9
243.06557	4.9
255.05183	2.7
269.04456	4.2
271.06128	4.8
275.05673	3.6
287.05582	18.4
289.07144	7.1
301.03488	2.4
303.05020	3.4
305.06641	81.8
306.06915	4.4
337.76511	2.5
457.07645	8.3
457.17050	3.5
458.08990	2.6
479.14435	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	457.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24152	2.6
55.01768	5.2
57.03323	5.1
58.00467	4.6
59.01257	19.8
65.00183	3.5
67.01755	7.6
68.99706	4.1
69.03329	5.5
70.31602	10.7
71.01244	10.3
72.99183	97.1
73.02815	9.0
75.00741	4.9
81.03342	9.4
83.01247	9.5
84.99180	5.2
85.02819	8.7
85.99990	3.7
87.00738	14.3
93.03342	24.3
95.01258	22.9
97.02813	13.0
99.00751	9.2
100.98697	14.5
103.00249	91.6
107.04906	13.2
108.02052	4.8
109.02834	63.5
111.00758	32.6
111.04372	8.9
112.98688	6.5
113.02324	4.1
119.04901	5.8
121.02854	20.5
123.00768	68.7
123.01657	4.1
123.04415	26.2
124.01598	16.1
125.02345	62.5
127.00266	7.0
128.98254	3.7
133.02863	6.5
135.04454	15.8
136.46970	2.8
137.02348	35.9
137.05890	2.8
138.03050	5.7
139.00279	31.3
139.03940	25.9
140.01038	6.8
141.01839	9.4
145.02856	5.6
146.99260	60.5
147.04440	7.8
149.02341	7.6
149.05983	8.9
151.00279	19.3
151.03929	31.2
154.99742	7.7
157.01314	3.5
161.02367	5.4
163.03947	26.7
164.01060	5.6
165.01845	10.3
165.05490	67.6
165.99069	3.8
166.99763	10.3
167.03430	23.9
169.01299	19.3
169.04982	5.6
175.04044	4.1
177.01859	4.1
179.03418	45.7
180.03879	3.8
181.04985	46.2
181.21353	2.8
182.05327	2.8
182.99300	13.0
184.00060	6.4
185.00786	2.8
189.01865	3.7
193.05040	15.9
195.02876	12.2
197.04495	100.0
198.04819	3.7
201.00352	3.1
207.02927	6.7
209.04439	4.1
211.02359	12.0
213.04010	9.6
253.03584	2.8
254.04315	6.7
255.05087	98.4
256.05484	5.5
269.03049	16.3
270.03748	4.9
271.04608	23.0
287.04028	36.2
288.04813	18.9
289.05634	11.8
305.01312	2.7
305.05173	10.5
317.06638	8.8
331.04550	5.0
333.05890	6.4
347.04044	3.4
395.06262	4.8
405.04526	21.3
406.05316	9.1
407.06097	32.3
421.04236	21.2
423.05707	22.4
439.05063	8.8
457.06219	37.1
457.13113	4.2
458.06702	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	457.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.8
59.01251	1.3
60.47092	0.6
65.00189	1.3
65.69608	0.8
68.99683	1.5
71.01226	1.6
72.99177	2.7
83.01254	4.3
89.02310	1.8
93.03316	1.4
95.01280	1.8
95.22352	0.7
97.02796	0.8
103.00249	1.7
107.01259	2.1
109.02831	3.2
111.00769	1.6
114.81336	0.7
119.04906	100.0
120.05241	2.1
121.02842	1.5
122.03616	1.3
123.00753	10.6
123.04398	21.9
125.02326	28.8
135.04437	1.1
137.02318	2.0
139.00249	1.8
139.03923	1.0
140.91443	0.8
141.01830	1.5
144.76176	0.7
149.02336	3.4
150.03102	6.8
151.00279	12.5
151.03902	55.3
152.04236	2.0
153.01822	54.3
154.02188	1.8
161.02327	2.9
163.03902	74.2
164.01065	2.0
164.04266	2.5
165.05475	1.1
166.99728	1.2
169.01320	14.4
177.01776	1.1
179.03419	1.6
183.02850	1.1
187.81985	0.8
197.04425	0.9
233.06471	0.8
255.05110	1.4
257.04556	1.8
275.05637	0.9
287.05716	3.7
303.05060	63.1
304.05539	4.9
305.06549	1.1
457.07648	3.9
457.13416	40.6
458.07932	1.1
458.13809	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61664	1.1
57.03331	1.0
59.01236	1.3
63.96100	10.3
64.96898	0.9
65.03830	2.4
68.99670	6.1
79.05435	1.1
79.95599	3.1
81.03327	8.6
82.04546	0.9
91.05415	5.7
93.03330	3.4
93.06967	1.6
95.01258	15.5
95.04894	5.5
98.20653	1.7
106.04136	1.0
107.04905	16.8
108.02058	2.8
109.02859	6.0
109.06425	1.6
119.04910	17.5
119.07269	1.1
121.02824	4.3
121.06459	8.5
122.03647	5.1
123.04410	4.1
125.02316	2.2
130.76186	0.9
133.06442	6.2
135.04402	100.0
136.04782	3.9
137.02318	1.5
137.05968	30.9
138.06305	1.6
143.08951	2.3
147.04401	16.1
148.04980	1.0
150.03105	4.2
150.06761	3.5
151.02216	1.7
153.01765	1.1
154.54327	1.0
158.32643	1.0
163.02211	0.8
163.03844	4.7
164.02850	1.7
179.01573	6.2
180.02441	6.5
181.03165	3.6
182.05777	8.0
196.01913	1.1
200.05214	0.9
201.90880	0.9
212.01408	13.5
261.18488	2.7
275.14792	2.1
293.15683	7.1
294.16516	31.6
295.17007	4.4
308.14163	1.1
326.15527	90.0
327.15857	11.4
455.26453	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	457.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.2
67.01745	2.6
69.55363	17.0
71.01250	5.7
72.99178	15.6
81.03365	2.4
85.02814	2.8
87.00744	4.6
93.03366	5.0
95.01234	5.0
98.20515	4.9
100.98676	4.7
101.05046	1.9
103.00253	36.9
107.04916	3.2
109.02824	7.0
111.00736	5.5
113.02339	2.5
119.04873	5.4
121.02811	4.3
123.00761	10.3
123.04384	4.3
124.01549	8.4
125.02334	100.0
126.02714	2.7
132.17014	2.4
133.02852	3.6
135.04419	4.5
137.02368	7.5
139.00298	5.8
139.03850	5.6
141.01854	9.2
146.99246	10.1
148.03906	2.4
149.02296	6.8
151.00262	4.3
151.03912	5.4
161.02353	3.3
163.03908	7.0
165.05510	4.3
167.03343	3.0
169.01315	12.7
177.01917	3.0
177.05379	2.3
179.03424	6.1
197.04443	7.2
201.05452	2.9
205.01544	2.8
207.02879	4.3
211.02383	2.3
223.02260	2.6
233.04436	2.5
255.05017	4.4
273.04163	2.9
287.04153	3.6
305.06909	2.6
315.05038	2.5
331.04712	5.4
333.06155	10.1
347.04010	3.7
402.43719	2.6
405.04715	3.0
406.05496	10.8
407.06076	3.7
421.04132	12.1
423.05661	20.3
457.06525	5.0
457.13483	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	455.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	1.8
59.01244	2.2
65.86920	1.1
69.03322	1.7
69.92886	5.9
69.93251	2.3
71.01273	5.8
72.99173	3.0
75.00761	1.2
78.95774	2.7
83.01249	4.0
85.02810	3.4
89.02316	1.3
95.01269	4.4
96.95909	1.5
96.96849	3.2
97.02824	2.0
101.02335	2.9
107.01278	17.3
109.02837	1.7
111.00748	5.1
113.02321	5.0
116.94097	1.3
121.02911	1.2
123.00766	18.2
125.02335	82.5
126.02670	3.4
126.42313	1.3
127.00262	2.4
127.36935	1.1
137.05968	1.4
139.00244	6.1
140.01035	6.3
141.01840	8.7
151.00250	7.1
153.01686	1.4
154.99771	2.2
163.03818	1.2
165.05367	1.9
166.99788	1.9
168.00522	3.9
169.01332	97.7
170.01649	3.8
171.41817	1.2
192.13004	1.3
200.81096	1.1
211.02467	3.3
229.52788	1.2
241.03555	2.3
255.05042	3.4
271.04590	5.9
303.07199	3.1
313.05643	38.9
314.06064	3.0
328.02359	1.3
407.05890	1.4
455.08246	100.0
456.08432	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	453.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02683	1.4
55.01743	1.7
56.61765	1.7
57.03306	1.6
59.01248	73.1
69.94508	3.4
69.94928	4.5
71.01254	53.8
72.99176	5.3
73.02814	15.8
76.99239	1.4
83.01259	10.8
85.02818	19.5
87.00749	1.9
89.02328	10.8
92.75474	1.4
95.01276	3.3
97.02836	2.3
99.00748	5.1
101.01691	2.3
101.02316	32.8
101.25319	1.5
103.03876	1.7
105.16161	1.3
109.02833	2.0
113.02331	19.7
113.53594	1.5
119.03374	6.1
121.02798	1.5
123.00713	1.8
123.04453	1.6
124.01551	2.1
125.02345	13.4
137.02385	2.8
139.00235	2.7
143.03354	2.5
157.48613	1.7
159.02905	4.7
161.02423	1.6
161.04465	27.5
163.00209	2.0
163.03894	1.6
163.06036	3.0
165.01823	3.0
168.00568	2.6
169.01338	8.5
177.01779	1.4
205.06859	1.4
211.02263	2.2
247.11842	49.3
248.12138	2.7
271.04562	4.3
291.07718	1.7
307.09851	1.6
311.26590	1.4
313.05667	2.0
323.00903	1.5
327.05005	2.7
393.17654	100.0
394.13388	1.4
394.17813	9.0
453.10571	9.6
454.09854	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	453.1607
Annotation	CHEBI:79045
Peak:m/z	Relative Intensity
57.03321	23.3
58.00466	2.7
59.01246	70.4
69.03310	2.1
69.58305	12.9
70.62458	1.9
71.00893	3.3
71.01247	49.3
71.97798	2.0
72.99176	4.4
73.02449	2.5
73.02815	39.5
74.90359	1.9
79.05379	3.1
83.01260	11.9
85.02803	7.9
87.00726	2.6
89.01822	2.5
89.02309	32.8
89.81329	2.0
96.95808	2.2
97.02824	2.9
97.06452	3.0
99.04394	13.3
101.01691	4.0
101.02315	43.0
113.02312	14.8
113.05967	4.9
119.03401	10.4
123.00711	2.7
123.04410	15.3
125.02334	10.4
131.03372	3.8
139.00270	2.4
139.03876	3.8
141.05495	4.4
147.06448	2.1
149.04330	2.4
161.04472	15.5
169.01315	5.5
179.05455	4.5
188.28452	2.0
263.07605	3.9
309.11877	100.0
310.12329	3.3
323.09717	3.1
351.12906	61.3
352.13257	2.8
391.16107	14.3
453.10190	14.6
453.15976	79.8
454.16467	5.7
471.38626	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	452.278
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
63.87854	0.2
64.19082	0.2
70.80029	0.6
78.95773	18.8
89.33741	0.2
89.54129	0.2
122.00005	0.9
134.98482	0.3
140.00023	0.4
140.01073	5.0
152.99489	1.6
181.99843	0.2
196.03723	9.7
196.05547	0.5
197.04088	0.3
214.04785	2.0
237.22211	0.4
255.23256	100.0
256.23618	7.9
256.26370	0.3
414.27289	0.3
452.27802	23.9
453.28183	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	453.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.6
58.71642	0.4
59.01249	1.6
65.00172	1.3
67.01763	2.2
68.99692	0.8
69.03327	2.3
71.01254	7.4
71.35069	1.0
72.99181	1.1
73.02820	1.3
79.01766	1.6
83.01267	1.4
85.02821	2.9
87.00756	1.1
92.45309	0.6
95.01255	3.0
96.99192	0.7
97.02829	2.1
99.00758	1.2
101.02342	3.4
107.01261	10.3
107.01939	0.7
107.69354	0.5
109.02869	0.5
109.99988	0.7
111.00751	5.8
113.02319	4.3
123.00069	0.4
123.00766	35.2
124.01558	38.6
125.02336	76.2
126.02648	2.7
127.00273	2.7
136.98717	3.9
137.02353	1.7
138.03143	3.8
139.00278	11.2
139.03893	19.8
140.01057	9.9
140.04228	0.6
141.01852	4.1
146.07991	0.6
151.00269	18.5
151.03891	1.2
152.00664	0.6
153.01842	1.1
154.01030	0.6
158.60767	0.5
165.01961	0.7
166.99762	0.9
167.03403	1.3
168.00554	18.0
168.01958	1.0
169.01329	100.0
170.01675	3.8
179.03391	1.0
181.01373	0.7
181.05070	0.8
183.02922	9.4
193.01244	0.5
193.05151	0.6
211.02393	3.7
223.02487	1.5
225.04007	1.7
239.78432	0.5
241.03479	1.2
253.03577	1.8
285.06116	1.1
293.79849	0.5
297.06091	6.1
298.06415	0.9
312.04791	0.5
313.05603	15.6
314.06091	1.0
319.58612	0.6
327.07129	2.8
360.62222	0.6
448.67813	0.5
453.10342	93.3
454.10794	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	451.3285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02837	0.4
59.01237	0.4
63.86582	0.1
71.01254	0.3
71.34779	0.2
71.35145	0.2
75.00743	0.4
78.95775	0.4
80.04918	0.4
81.03326	10.1
82.03650	0.2
83.04892	27.9
84.05236	0.6
89.02340	0.2
100.07544	0.4
107.06023	0.8
108.04436	1.0
109.02804	0.1
119.04885	0.1
123.04451	0.1
125.02345	0.4
125.07092	3.2
126.05491	0.5
126.07475	0.1
137.02402	0.1
143.08131	1.3
151.00249	0.2
157.13406	0.1
161.02415	0.1
166.02670	0.1
169.01315	0.1
177.01904	0.1
178.99730	0.1
183.15005	0.1
203.03311	0.2
207.14957	3.3
208.13365	0.3
208.15308	0.3
217.01338	0.1
222.16005	0.2
224.15491	0.1
224.17615	4.9
225.16022	12.8
226.14418	0.1
226.16322	0.7
242.18687	2.0
250.15497	0.3
268.16586	0.3
271.02328	0.1
288.02606	0.2
290.22568	0.3
292.20453	0.1
306.22079	0.2
307.23853	0.3
309.21701	0.5
313.05524	0.1
324.26556	2.0
325.26715	0.2
333.22922	4.9
334.23260	0.4
339.27798	0.3
341.06598	0.2
341.29178	0.2
351.24017	1.2
367.27109	1.0
368.27283	0.1
376.26074	0.1
385.28183	0.7
406.30573	0.1
433.31799	5.7
434.32251	0.8
451.32864	100.0
452.33182	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	452.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.2
55.11118	0.2
57.76440	0.2
59.01244	1.2
62.52663	0.2
67.01761	0.4
69.03315	0.7
71.01251	3.6
71.06331	0.4
72.99160	0.4
73.02814	0.7
75.00742	0.8
78.95781	0.6
79.01762	0.5
83.01251	1.0
85.02829	1.0
87.00763	0.2
89.02310	0.6
89.58450	0.2
93.46966	0.2
95.01247	1.0
97.02811	0.6
99.00751	0.4
101.02313	1.2
107.01257	4.7
108.02046	12.1
109.02313	0.3
111.00772	0.8
119.04880	0.2
121.02879	0.3
123.00764	5.5
123.04433	0.5
124.01583	0.7
125.02330	31.2
126.02676	0.9
135.04413	0.2
136.98679	0.4
137.02342	0.3
138.01862	100.0
139.00348	1.2
139.02217	3.1
140.01016	1.2
141.01826	0.8
149.02359	0.3
151.00270	4.3
151.02669	0.2
152.00558	0.3
153.01833	0.3
154.25867	0.2
161.04457	0.2
166.99721	0.2
168.00574	1.9
169.01329	44.1
170.01660	1.4
179.03426	0.3
182.42485	0.2
183.02858	0.3
189.01816	0.3
192.36726	0.2
193.01373	0.3
209.11810	1.7
211.02397	1.9
227.12755	0.3
241.03445	0.9
250.00626	0.2
253.03514	0.5
271.04575	1.2
305.58960	0.2
313.05627	70.3
314.05954	5.1
341.06595	0.4
342.06952	0.6
378.01193	0.2
451.22543	0.3
452.08279	33.7
452.21457	1.0
453.08667	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	451.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	7.6
56.21327	0.5
57.03319	5.5
58.00455	2.1
59.01249	38.9
61.98676	0.7
67.01754	0.6
68.99684	0.7
69.03330	1.7
71.01251	70.3
71.22231	1.3
72.01557	0.8
72.99178	3.9
73.02817	37.3
75.00743	1.9
79.37775	0.5
81.03321	1.1
83.01251	16.4
85.02821	35.4
85.99973	3.3
87.00754	5.3
89.02313	16.5
95.01265	5.2
97.02825	3.9
99.00758	14.6
101.02319	73.8
102.02604	0.7
103.88000	0.6
111.00770	2.7
113.02326	26.0
115.03889	2.3
121.02901	0.6
125.02326	6.1
129.01830	1.9
131.03374	3.9
143.03395	3.8
149.04465	2.4
159.02881	4.3
161.04462	26.3
161.05811	1.3
191.05545	1.0
205.03502	1.3
211.78708	0.6
227.16585	0.7
233.06577	4.7
293.08865	0.7
319.21228	99.8
320.21567	7.9
361.22211	0.8
363.20224	2.0
451.25446	100.0
452.25818	13.0
458.78036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96758	0.8
59.01250	100.0
59.43129	0.7
60.01581	0.8
62.96289	2.7
65.15977	0.8
71.58338	1.0
78.95779	7.0
80.32985	0.7
80.97323	3.6
81.03326	3.6
81.36489	0.8
83.04888	12.9
83.05347	0.7
84.05207	0.8
95.15644	0.7
102.00027	0.7
108.68740	0.7
121.02827	1.1
191.93297	0.7
224.38632	0.7
243.22266	0.7
307.23840	1.0
332.06354	0.8
357.17542	1.5
374.64044	0.7
387.18774	2.1
391.29639	39.3
392.29926	4.6
451.15512	13.3
455.22711	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30484	24.9
59.01244	83.7
65.75681	20.7
71.01250	100.0
72.99178	26.3
75.91906	19.8
83.01251	27.3
85.02814	25.4
87.00764	32.6
89.02315	49.1
93.03330	52.1
101.02341	25.3
101.79121	21.8
103.00234	67.2
107.04917	23.9
109.02823	34.1
123.00755	29.8
125.02305	89.6
127.00344	24.8
137.02342	84.8
139.00331	35.3
149.23129	23.5
151.03918	29.3
153.01907	30.2
163.03871	35.6
169.01324	90.6
212.52428	28.3
289.07040	54.2
313.05542	68.2
319.06091	29.3
372.68549	26.9
375.11636	24.8
396.41586	24.6
451.08548	79.6
451.13638	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42376	0.5
57.03318	7.4
59.01231	1.9
65.03849	0.5
69.03322	1.8
69.44453	2.9
69.44883	1.1
71.01257	1.3
81.03309	2.6
83.01252	8.2
85.02820	0.7
89.02298	0.5
91.48630	0.5
93.03352	3.1
95.01273	0.6
95.04902	2.8
97.02823	3.9
98.19811	1.2
100.33303	0.5
101.02301	0.7
107.04906	1.5
108.02046	1.4
109.02831	41.7
110.03179	1.4
117.03291	0.8
119.04948	0.9
121.02846	3.1
122.03505	0.5
123.04401	10.2
125.02330	51.3
126.02653	1.5
129.03252	0.6
131.04871	0.8
132.02061	1.0
133.02846	15.9
133.03812	1.1
134.03604	2.2
135.04411	53.4
136.04755	2.2
137.02336	100.0
138.02644	3.9
139.03928	3.2
145.02834	6.1
146.03650	1.5
147.04401	7.0
149.02328	4.5
150.03046	0.6
151.03903	9.1
158.03596	0.6
159.04416	15.3
160.05124	1.5
161.02344	49.5
161.05943	5.3
162.02950	1.9
163.03902	1.3
164.01030	2.6
165.01826	4.4
166.02414	0.5
167.03412	0.9
167.07079	0.8
171.04486	0.5
173.05991	0.7
174.03131	1.3
175.03922	5.0
175.07480	1.4
177.01842	0.5
179.03407	59.8
180.03769	2.3
180.29851	0.5
185.06029	1.9
186.37630	0.5
187.03886	5.1
188.04691	3.3
191.03441	1.1
199.07617	0.8
201.05464	1.1
202.06233	0.9
203.03429	16.9
203.07051	9.3
204.03899	1.1
205.05031	4.1
211.07722	0.6
215.03325	0.9
216.04185	0.9
219.52525	0.5
221.08279	2.6
225.05618	0.7
227.07069	1.7
229.05063	0.5
230.05786	0.7
231.02950	1.3
245.08162	9.1
246.08311	0.6
247.06168	0.7
253.05121	1.6
253.08572	0.9
254.05704	0.8
255.06685	1.1
267.06516	0.7
268.07126	0.7
269.08163	28.2
270.08459	1.6
271.06143	5.6
281.08212	2.6
285.07626	1.2
289.07153	52.7
290.07446	4.1
297.07767	1.4
311.05600	0.8
313.07214	1.7
321.11426	0.7
325.07285	1.9
329.06497	0.6
341.06635	4.6
342.07214	0.9
363.12473	0.6
391.23453	0.7
407.11337	3.3
451.10312	15.4
451.16324	1.1
452.10605	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	451.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	6.1
68.30037	0.5
69.03329	1.3
71.01247	7.6
71.38007	1.0
73.02833	1.1
79.01752	0.9
81.03316	0.7
83.01279	1.6
85.02835	2.6
87.00761	0.6
89.02293	1.2
93.03333	56.3
94.03674	1.8
95.01247	1.6
97.02826	1.0
101.02337	4.3
107.01265	7.7
107.04888	0.5
111.00774	1.4
113.02332	3.6
121.02865	0.7
123.00767	9.3
123.04424	1.9
124.01588	0.8
125.02328	48.1
126.02666	1.5
135.04449	0.6
137.02338	100.0
138.02644	3.7
139.00282	2.4
139.03922	0.7
140.01041	2.3
141.01816	1.1
151.00278	8.6
153.01942	1.0
153.71092	0.6
161.04454	0.6
167.03404	6.5
168.00577	3.0
169.01331	69.3
170.01663	2.3
179.03442	1.4
193.01363	1.0
211.02405	2.1
223.02367	0.5
239.05496	0.6
241.03545	2.3
253.03474	0.6
271.04559	1.6
289.07059	0.6
289.19955	0.7
299.07709	6.1
300.08029	0.8
313.05627	68.0
314.05963	5.1
407.09814	8.1
408.10336	0.9
451.08707	41.5
451.25586	1.7
452.09073	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	451.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.9
56.27491	0.4
57.03323	0.5
59.01246	8.1
62.42793	0.4
65.00193	0.5
65.03828	0.9
67.01752	1.4
69.03326	1.5
69.50107	3.7
71.01250	9.2
72.99165	1.0
73.02824	1.6
78.59328	0.4
79.01775	1.1
81.03345	0.9
83.01263	1.5
85.02838	2.9
89.02304	1.7
90.35912	0.4
93.03333	68.2
94.03636	2.0
95.01273	1.7
97.02824	1.2
98.19817	0.8
99.00722	0.5
101.02316	3.7
102.87533	0.4
107.01259	9.7
107.04893	1.4
107.37452	0.4
109.02843	0.6
111.00767	1.8
113.02346	3.0
119.03391	0.6
121.02826	0.5
123.00761	11.1
123.04414	3.2
124.01596	0.7
125.02332	57.0
126.02643	1.6
137.02336	100.0
138.02666	3.2
139.00276	3.3
139.03903	0.8
140.01054	2.6
141.01814	1.8
149.02367	0.4
151.00276	9.0
151.03867	0.5
153.01865	0.8
161.04457	1.2
163.03963	0.7
165.01872	0.6
166.99873	0.4
167.03409	9.2
168.00581	2.9
168.03711	0.5
169.01329	71.0
170.01677	2.3
174.78566	0.4
179.03435	1.7
193.01390	0.7
209.04497	0.7
211.02383	2.6
241.03493	1.9
253.03381	0.5
271.04544	1.3
299.07675	6.7
299.10742	0.6
313.05637	70.2
314.05988	4.2
331.06708	0.6
391.23038	0.5
407.09869	8.7
408.10248	0.7
432.12637	0.5
451.08649	45.2
451.25354	2.9
452.08997	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	4.0
58.00454	5.1
59.01248	100.0
59.18561	2.1
65.00204	3.2
65.67044	2.2
67.01762	2.4
68.99700	3.0
69.03316	4.4
71.01250	23.6
71.57964	2.3
72.99179	23.0
73.02831	8.1
79.01678	2.2
81.03339	7.6
83.01270	9.6
85.02824	10.1
87.00755	3.8
89.02340	5.5
93.03339	31.1
95.01264	9.5
95.04915	9.8
97.02836	7.7
99.00762	7.6
101.02324	10.2
103.00222	3.4
106.04092	4.3
107.01277	9.3
107.04906	25.2
108.02080	15.6
109.02840	20.0
111.00776	5.4
112.98672	2.8
113.02334	10.0
117.03402	3.8
119.03262	2.8
119.04911	21.0
121.02825	17.7
122.03623	7.9
123.00758	21.3
123.04419	32.0
124.01554	9.6
125.02322	31.1
128.98193	11.2
133.02841	13.9
134.03641	6.5
135.04417	37.9
136.04793	6.1
137.02374	11.3
137.06039	3.6
139.00241	4.2
139.03914	6.0
141.01880	9.2
145.02829	4.1
147.04417	5.1
149.02284	4.3
149.05978	10.8
149.53194	2.4
151.00287	22.1
151.03900	22.6
152.00627	10.1
153.00761	7.1
153.01901	3.7
156.54573	2.1
161.02318	7.3
161.04417	5.9
163.00203	2.6
163.03922	29.6
164.00972	2.4
165.01764	4.0
165.05476	64.8
166.99823	5.2
167.03407	5.8
169.01350	18.5
175.03978	3.5
177.01825	4.0
178.02586	3.4
179.03409	32.5
181.01328	3.3
181.05026	12.9
189.01828	3.9
191.03444	7.1
193.01230	2.6
193.04970	10.0
195.03018	5.5
197.04512	7.0
209.04469	3.7
215.03520	3.1
218.67703	2.5
219.02869	4.2
233.04440	2.4
253.03609	6.4
254.71709	2.7
255.02898	3.0
255.05112	17.5
257.03726	2.5
271.02460	6.0
272.03217	3.3
273.03088	2.9
287.05634	6.6
288.05829	5.3
289.06271	11.1
300.02597	7.0
301.03320	9.8
302.03372	5.1
304.03693	3.4
309.38721	3.0
313.05746	4.5
318.03436	3.8
319.03534	5.3
331.06711	9.5
361.20947	3.3
391.23358	38.8
392.23474	3.5
433.07883	6.1
439.89505	2.5
451.08374	22.5
451.12683	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	451.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.6
57.03304	0.8
59.01245	8.4
69.02985	0.6
69.03300	2.8
71.01248	5.9
71.58131	0.7
71.58524	0.8
72.99178	1.6
73.02808	1.4
81.03305	1.2
83.01249	1.3
85.02811	2.4
87.00723	0.7
89.02314	3.8
93.03335	38.9
93.35155	0.6
94.03671	1.1
95.01252	2.2
97.02828	3.5
99.00714	0.8
99.07451	0.6
101.02328	3.6
103.00250	0.7
103.03886	1.2
107.01268	1.0
108.02042	1.2
109.02827	2.2
113.02333	1.5
119.03353	0.9
119.04948	0.6
120.93944	0.5
121.02871	1.2
123.00761	9.2
123.04411	1.3
124.01556	18.9
125.02336	42.1
126.02668	1.1
129.84602	0.5
133.02802	0.5
136.01559	0.8
137.02339	62.0
138.02696	1.7
139.04002	0.7
143.10681	20.2
145.02917	1.3
149.02325	0.9
149.99487	33.4
151.00301	3.1
151.03935	1.2
153.01807	0.6
157.02344	1.6
161.02325	1.3
161.04439	0.9
163.03883	1.9
163.06010	0.7
165.05461	0.8
167.03447	1.4
168.00552	70.7
169.01317	8.9
170.01648	0.6
179.03496	1.0
189.01921	0.6
193.01506	0.9
197.02679	0.8
205.27779	0.6
206.84869	0.5
227.03432	5.7
240.37071	0.5
255.05028	1.2
269.06537	1.1
289.07248	1.5
301.06821	0.7
313.05630	22.7
314.06079	1.5
331.06677	36.9
332.07001	3.4
433.08313	0.9
451.08771	100.0
452.09186	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	451.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	4.6
59.01229	7.7
69.25460	16.3
69.25880	8.5
71.01258	6.2
72.99178	83.3
74.23808	2.3
75.00766	3.9
81.03316	4.6
84.99184	3.2
85.02837	2.3
87.00735	5.9
89.03839	3.4
89.39268	2.1
93.03332	28.3
98.19809	4.3
99.00761	3.9
100.98666	4.0
103.00238	15.9
106.04099	5.4
107.04887	18.3
108.02059	3.3
109.02822	9.3
111.70908	2.1
111.99222	3.2
117.03344	13.9
119.04890	7.8
121.02850	15.4
123.00743	6.4
123.04397	10.4
125.02322	7.4
133.02852	24.3
134.03606	2.3
135.04404	15.8
137.02322	8.9
139.03867	3.6
145.02852	65.1
145.04573	2.7
146.03194	5.3
146.99242	11.3
147.04422	6.6
149.02336	9.7
149.05971	10.9
151.03889	6.1
161.02356	16.9
163.03896	10.7
165.05478	69.2
166.05823	4.6
175.03938	2.8
177.01852	24.9
177.05472	3.0
179.03410	32.6
181.04942	5.4
189.00270	2.3
193.04990	18.1
195.02930	2.8
197.04459	10.4
211.02318	2.5
213.03864	3.7
221.04420	6.5
249.03955	2.8
254.04271	4.1
255.05052	100.0
256.05368	7.4
267.05057	21.9
269.03061	2.5
287.03989	4.1
311.04034	28.7
312.04367	2.9
326.19107	2.6
344.08997	4.2
401.08685	16.9
417.08176	14.0
418.08722	4.1
451.08746	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	451.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73431	0.3
59.01251	1.1
65.03841	0.3
69.03332	0.3
69.28807	0.9
69.29235	2.2
71.01247	0.9
78.74908	0.3
79.01759	0.5
83.01231	0.4
93.03333	33.8
94.03662	0.9
95.01251	0.5
101.02336	0.3
107.01250	1.5
109.02840	0.4
110.34452	0.3
111.00760	0.3
113.02348	0.4
121.02809	0.8
123.00767	4.6
125.02336	10.3
135.04379	0.5
137.02338	100.0
138.02684	3.6
139.00279	0.9
140.00972	0.4
141.01822	0.8
149.02289	0.4
151.00261	2.7
151.03906	3.0
161.02344	0.7
168.00562	0.7
169.01335	24.6
170.01642	1.2
179.03406	4.0
182.02199	0.3
183.02861	0.7
193.01334	0.5
209.04459	2.6
211.02388	3.4
239.05592	2.3
249.63501	0.3
271.04602	1.0
289.07169	2.7
299.07587	0.9
313.05649	3.5
331.06705	3.8
355.86118	0.3
391.06467	0.8
433.88266	0.3
438.49084	0.3
451.08774	29.0
452.09082	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	451.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00602	1.1
57.03325	1.3
58.00465	1.9
59.01255	10.7
61.98698	2.1
71.01252	10.2
71.58497	1.8
72.99181	67.0
73.99505	1.4
74.29352	1.3
75.00742	5.4
78.12113	1.3
81.03350	3.2
83.01251	1.7
84.99172	2.2
85.02811	3.9
87.00755	7.2
89.02328	1.5
89.03872	2.4
93.03333	22.3
95.01247	2.0
95.04923	1.9
95.75179	1.3
97.02815	3.4
99.00758	5.1
100.98697	4.6
101.02338	2.8
103.00245	19.9
105.03320	3.4
106.04134	4.0
107.04917	18.0
107.05603	1.7
108.02047	4.8
109.02827	8.5
117.03336	12.0
119.04913	4.6
121.02839	13.9
123.00794	8.9
123.04399	7.9
124.01537	3.3
125.02358	11.6
130.04147	1.2
131.04866	1.5
132.02071	2.1
133.02852	20.8
134.03654	2.5
135.04417	17.9
137.02350	8.9
139.03922	3.9
145.02858	65.6
146.03236	3.5
146.99249	14.4
147.04459	6.4
149.02328	9.7
149.05981	9.7
151.03914	7.8
161.02353	28.6
161.04408	2.4
163.03922	14.5
165.01878	1.8
165.05489	71.2
166.05826	3.6
167.03415	4.9
175.03928	2.9
177.01839	31.4
177.03296	2.5
177.05415	2.5
178.02307	2.6
179.03421	27.5
180.03787	2.3
181.04976	9.0
192.04170	2.4
193.04997	22.2
193.54039	1.3
194.05382	1.3
195.02953	3.7
197.04478	17.1
209.04480	2.4
211.02464	2.8
211.06029	2.2
213.04005	4.0
221.04498	6.3
223.07782	1.4
235.02469	2.3
249.03990	2.5
254.04399	3.0
255.05075	100.0
256.05460	7.3
267.05048	20.2
269.02951	2.0
287.04044	6.4
289.07141	1.6
311.04095	28.3
312.04388	1.8
327.08862	1.6
341.06335	2.3
343.08051	1.6
344.08990	2.1
401.08704	25.3
402.08972	3.1
417.08261	12.2
418.08972	3.1
433.07639	2.4
450.27634	1.8
451.08817	15.2
451.28629	3.1
472.62024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95769	0.5
57.03332	1.3
57.56621	0.5
59.01250	7.6
60.01583	0.9
61.01674	1.3
61.98701	100.0
71.01254	3.0
71.58566	0.7
72.33090	0.5
73.02814	0.9
75.00742	0.8
83.01249	0.8
85.02824	0.8
89.02307	0.9
96.62046	0.5
98.69147	0.5
99.00735	0.8
101.02297	1.1
109.02839	0.8
113.02340	0.5
114.02645	0.5
123.00749	0.5
123.04393	0.5
125.02369	0.7
135.04393	0.6
137.09644	0.8
151.00284	0.5
161.04474	1.2
162.04834	0.7
163.04971	0.9
167.03430	1.5
169.01335	0.5
197.15495	0.8
208.14180	0.6
209.04561	1.2
225.14891	4.9
226.15233	9.0
227.15453	4.3
228.15662	3.7
271.02478	0.9
272.02863	1.4
301.03415	0.6
303.03564	1.0
304.04614	0.6
317.02637	2.2
331.08264	1.8
415.16263	1.0
450.07928	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2541
Annotation	Pallidin (sesquiterpene)
Peak:m/z	Relative Intensity
50.00541	0.3
59.01247	2.0
61.54451	0.3
67.55449	0.3
78.95773	4.8
88.49249	0.3
93.03313	0.5
96.96858	0.4
107.04903	0.3
117.03349	1.8
121.02831	0.5
132.02068	0.8
133.02844	19.4
134.03658	5.2
135.04408	29.8
136.04733	1.1
137.02315	3.2
139.03918	0.8
152.99496	6.2
161.02342	100.0
162.02687	5.2
166.48404	0.3
178.02620	1.0
179.03394	10.1
180.03700	0.4
202.98546	0.4
269.21243	0.7
273.03061	0.6
285.20364	0.3
287.22266	9.9
288.22583	1.0
301.03641	0.4
302.03445	1.0
303.04028	0.9
427.86292	0.4
431.24332	3.1
432.24658	0.6
449.09567	1.2
449.25421	64.2
450.25809	9.3
457.04852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95769	0.5
57.03332	1.3
57.56621	0.5
59.01250	7.6
60.01583	0.9
61.01674	1.3
61.98701	100.0
71.01254	3.0
71.58566	0.7
72.33090	0.5
73.02814	0.9
75.00742	0.8
83.01249	0.8
85.02824	0.8
89.02307	0.9
96.62046	0.5
98.69147	0.5
99.00735	0.8
101.02297	1.1
109.02839	0.8
113.02340	0.5
114.02645	0.5
123.00749	0.5
123.04393	0.5
125.02369	0.7
135.04393	0.6
137.09644	0.8
151.00284	0.5
161.04474	1.2
162.04834	0.7
163.04971	0.9
167.03430	1.5
169.01335	0.5
197.15495	0.8
208.14180	0.6
209.04561	1.2
225.14891	4.9
226.15233	9.0
227.15453	4.3
228.15662	3.7
271.02478	0.9
272.02863	1.4
301.03415	0.6
303.03564	1.0
304.04614	0.6
317.02637	2.2
331.08264	1.8
415.16263	1.0
450.07928	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1096
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
54.27417	0.4
57.03316	0.6
59.01248	8.4
61.98706	2.0
63.02254	1.2
65.00191	10.1
70.44756	1.0
70.45154	0.8
71.01264	2.6
72.99160	0.5
73.02818	0.4
74.40785	0.4
75.00732	0.9
79.53028	0.4
83.01248	3.9
85.02793	0.7
89.00158	0.4
89.02306	1.7
93.03312	2.1
95.01266	1.8
99.00763	0.7
101.02318	1.2
107.01266	17.3
107.04862	0.8
108.02040	1.8
109.02849	3.9
110.03164	0.5
111.04404	0.5
113.02322	1.0
117.03343	0.4
119.03381	0.7
119.04913	1.6
121.02837	1.6
123.00751	2.7
123.04386	0.5
124.01529	0.6
125.02333	9.8
128.96175	0.5
131.01309	1.2
133.02827	0.9
134.03609	1.7
135.04408	78.7
136.04758	3.5
137.02341	2.9
138.01854	5.4
139.00255	1.0
139.03879	0.9
140.01016	0.5
141.01779	0.8
149.02338	1.0
149.04359	0.6
151.00267	100.0
152.00562	4.7
153.00749	0.7
159.04402	0.6
161.02361	1.9
161.04463	0.9
163.00327	0.7
163.03859	0.7
164.01036	0.9
165.01817	1.5
165.05455	0.6
166.99739	1.2
167.03419	1.6
168.00577	0.7
169.01323	6.2
175.00269	7.2
177.01852	1.4
178.02623	1.0
178.99791	2.2
179.03323	2.0
180.00142	0.5
181.00157	0.4
193.01369	2.4
205.01375	0.7
227.03413	0.8
228.03474	0.4
233.06622	0.7
243.03015	0.7
244.03346	0.6
255.02887	2.0
256.03259	1.2
257.03543	1.7
257.13022	0.5
258.04172	0.6
269.04514	0.8
271.02423	1.6
272.02863	1.5
273.03024	4.4
284.03287	2.9
285.03909	7.1
286.04102	10.4
287.05603	98.7
288.05942	7.5
293.08817	3.0
300.02744	3.0
301.03217	4.9
302.03400	9.6
303.04001	6.4
311.04263	1.3
313.05646	3.1
389.21628	1.7
449.10040	24.1
449.27823	0.5
450.10654	2.8
468.75833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27417	0.4
57.03316	0.6
59.01248	8.4
61.98706	2.0
63.02254	1.2
65.00191	10.1
70.44756	1.0
70.45154	0.8
71.01264	2.6
72.99160	0.5
73.02818	0.4
74.40785	0.4
75.00732	0.9
79.53028	0.4
83.01248	3.9
85.02793	0.7
89.00158	0.4
89.02306	1.7
93.03312	2.1
95.01266	1.8
99.00763	0.7
101.02318	1.2
107.01266	17.3
107.04862	0.8
108.02040	1.8
109.02849	3.9
110.03164	0.5
111.04404	0.5
113.02322	1.0
117.03343	0.4
119.03381	0.7
119.04913	1.6
121.02837	1.6
123.00751	2.7
123.04386	0.5
124.01529	0.6
125.02333	9.8
128.96175	0.5
131.01309	1.2
133.02827	0.9
134.03609	1.7
135.04408	78.7
136.04758	3.5
137.02341	2.9
138.01854	5.4
139.00255	1.0
139.03879	0.9
140.01016	0.5
141.01779	0.8
149.02338	1.0
149.04359	0.6
151.00267	100.0
152.00562	4.7
153.00749	0.7
159.04402	0.6
161.02361	1.9
161.04463	0.9
163.00327	0.7
163.03859	0.7
164.01036	0.9
165.01817	1.5
165.05455	0.6
166.99739	1.2
167.03419	1.6
168.00577	0.7
169.01323	6.2
175.00269	7.2
177.01852	1.4
178.02623	1.0
178.99791	2.2
179.03323	2.0
180.00142	0.5
181.00157	0.4
193.01369	2.4
205.01375	0.7
227.03413	0.8
228.03474	0.4
233.06622	0.7
243.03015	0.7
244.03346	0.6
255.02887	2.0
256.03259	1.2
257.03543	1.7
257.13022	0.5
258.04172	0.6
269.04514	0.8
271.02423	1.6
272.02863	1.5
273.03024	4.4
284.03287	2.9
285.03909	7.1
286.04102	10.4
287.05603	98.7
288.05942	7.5
293.08817	3.0
300.02744	3.0
301.03217	4.9
302.03400	9.6
303.04001	6.4
311.04263	1.3
313.05646	3.1
389.21628	1.7
449.10040	24.1
449.27823	0.5
450.10654	2.8
468.75833	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	8.3
59.01241	5.8
65.00184	4.1
70.89337	3.1
70.89687	1.6
81.03309	2.2
83.01260	5.7
93.03338	3.9
107.01288	3.3
107.04928	2.1
121.02878	3.6
125.02330	95.2
126.02689	3.6
133.02811	2.9
135.04427	2.6
137.02333	2.3
139.03876	2.6
143.85243	1.2
149.02310	9.4
149.39948	1.3
151.00278	24.5
152.01053	3.0
153.01828	9.9
163.00325	2.0
165.01836	9.7
169.06544	1.5
173.05939	4.4
177.05484	3.2
178.99783	20.6
179.03340	6.2
197.05984	1.9
201.05460	5.1
215.07051	6.3
215.11642	1.4
225.05551	4.1
239.36932	1.4
241.05022	2.9
243.06499	7.2
259.06085	99.7
260.06403	5.0
269.04529	100.0
270.04822	6.0
283.06067	2.0
287.05588	61.5
288.05869	4.0
311.05579	2.2
342.05862	3.3
415.06445	1.4
431.09872	2.3
449.10864	73.7
450.11349	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	449.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82228	1.2
59.01243	3.2
61.76472	1.2
63.02251	1.3
65.00190	2.4
68.99717	1.8
69.44472	6.1
69.44885	4.8
71.01260	1.3
71.17393	1.2
71.34925	1.3
77.35867	1.3
83.01290	1.5
95.01263	3.2
106.69094	1.4
107.01268	6.4
108.02101	1.4
109.02847	5.1
109.99291	1.6
109.99985	7.5
111.00781	5.4
123.00761	4.2
124.01540	3.3
125.02296	3.6
128.20467	1.2
135.00761	1.9
136.01558	1.6
136.98671	2.9
137.02347	1.7
137.99525	3.2
139.00282	9.6
143.04871	1.7
148.01596	1.4
149.02443	1.9
151.00314	13.7
152.01044	6.4
159.04417	2.2
163.00276	3.9
164.01022	2.8
165.98929	7.6
166.99783	4.1
169.01204	1.7
171.04417	2.0
174.03085	2.3
175.03957	1.8
177.06444	1.4
178.99815	10.4
187.03938	2.6
188.04572	1.7
189.01846	2.3
192.00580	1.9
199.03938	4.5
201.01837	1.8
201.23784	1.6
203.03372	2.8
204.04071	1.5
211.03911	1.7
214.02670	3.4
215.03404	4.2
216.04152	1.8
227.03448	23.9
228.03822	14.4
229.03943	12.2
231.02956	3.5
242.02194	4.9
243.02870	9.1
244.03502	3.4
245.00911	1.9
245.04274	1.7
255.02974	22.2
256.03311	18.6
257.03546	24.7
259.02454	4.1
270.01645	7.5
271.02469	46.4
272.03134	13.1
273.03586	7.9
284.03369	10.7
285.03677	13.9
286.03882	26.2
287.01904	21.2
287.04501	2.8
288.02628	9.8
299.01968	26.7
300.02585	5.4
301.03351	7.2
302.03421	10.9
303.03976	6.7
316.02206	95.6
317.02921	33.5
318.03482	1.9
367.59662	1.4
431.06482	2.1
448.09604	2.6
449.06729	100.0
450.07330	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	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01749	1.8
55.22448	0.3
56.99687	0.3
57.03318	1.2
58.00463	3.3
59.01247	81.2
60.01584	0.5
69.03324	0.5
69.43282	2.2
71.01250	58.8
72.01576	1.0
72.99174	4.6
73.02816	16.2
81.03320	0.5
83.01255	2.9
85.02821	8.7
87.00742	2.5
89.02312	100.0
90.02671	1.4
95.01259	2.3
97.02866	1.5
99.00752	24.6
99.04368	0.3
100.01103	0.4
100.98671	0.4
101.02317	39.6
102.02641	0.3
103.00248	1.2
107.01275	0.6
107.37110	0.3
109.02824	0.8
111.00758	0.6
113.02326	18.7
115.03889	1.3
119.03384	15.6
121.02811	0.5
123.08004	0.7
125.02335	4.6
129.01788	0.3
131.03394	16.8
132.03716	0.4
139.03862	0.3
143.03397	3.8
146.99251	1.2
148.01556	0.4
149.04456	46.9
150.04793	1.0
151.00261	2.3
161.04446	4.8
163.00246	0.9
173.05943	0.4
178.99783	1.1
179.05519	5.9
187.07498	0.4
191.05536	14.3
192.05823	0.6
203.07072	0.4
211.13361	2.8
221.06586	1.1
227.03401	0.7
233.06577	1.5
242.68053	0.3
243.02927	1.3
245.04417	0.5
251.07668	2.8
255.02942	4.0
262.60065	0.3
270.03824	0.4
271.02429	6.2
272.02884	0.6
273.03955	0.4
283.02454	0.3
285.14987	0.3
293.08780	0.4
300.02731	13.1
300.06131	0.7
301.03442	11.9
302.03729	0.9
315.18103	1.1
353.13730	0.4
357.17099	0.5
447.09473	9.2
447.16443	2.4
447.22263	21.1
448.09711	1.9
448.16812	0.5
448.22598	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55627	0.4
59.01124	1.8
59.01437	1.1
63.02156	1.4
65.00056	3.0
65.00426	0.9
66.00404	1.1
66.00737	0.7
83.01099	3.6
83.01627	1.2
84.01505	0.6
87.86402	0.4
89.02193	0.9
93.03219	0.8
94.34313	0.4
95.01105	1.9
107.01096	9.2
107.01877	0.8
108.01416	1.2
108.01967	0.8
109.02666	9.3
109.03482	0.9
109.99825	0.9
110.03036	1.0
111.00655	1.1
121.02660	4.2
122.03012	1.5
123.00600	1.5
123.03195	0.6
124.01364	1.6
125.02164	2.9
125.03047	0.9
135.00594	2.0
137.02162	4.7
137.98244	0.5
139.00125	1.1
139.03809	0.6
148.01373	2.0
149.02007	0.8
151.00270	32.5
151.01411	1.5
152.00581	8.6
153.00563	6.0
153.01747	1.7
159.04225	0.7
161.02155	0.5
163.00269	15.1
163.03787	0.6
164.00943	4.9
165.00476	1.1
165.98851	1.0
167.69093	0.5
169.01344	3.1
171.04198	0.7
175.03722	1.1
178.99782	23.2
180.00148	4.7
181.00209	4.4
183.04239	1.5
184.04582	0.5
185.02225	0.6
187.03876	1.1
188.04066	0.7
190.99812	4.3
193.01166	1.6
199.03784	1.5
200.04161	0.9
202.05653	0.8
203.03247	2.0
206.99127	1.9
211.04016	2.5
211.05562	0.5
212.04115	1.3
213.01712	0.9
213.04463	0.9
214.02412	0.6
215.03278	1.5
216.04102	1.0
226.02538	1.5
227.03438	7.1
228.03766	2.9
229.04047	2.0
230.05215	1.0
230.75644	0.7
230.77835	0.8
231.02777	1.8
231.05383	0.9
239.03320	0.5
242.01955	0.7
243.02956	8.1
244.03322	5.9
245.03391	7.7
246.04654	1.5
247.02542	0.5
247.05029	2.2
254.02051	1.5
255.02934	20.1
256.03299	15.5
257.03503	23.0
258.03748	1.0
259.02319	0.7
259.04898	0.6
270.01672	0.8
271.02448	30.3
272.02817	28.6
273.03009	42.0
274.03534	2.7
275.04572	1.8
283.02319	1.0
284.02682	1.2
285.03064	2.7
287.01822	0.6
288.02603	1.0
289.03409	1.3
298.01215	0.7
299.01913	7.8
300.02725	36.7
301.03238	60.2
302.03418	100.0
303.04034	58.7
304.04224	2.3
316.02203	9.7
317.02982	14.6
318.03223	0.7
323.03958	1.4
345.40848	0.5
421.07678	1.1
431.06271	0.8
448.09537	3.3
449.10077	80.9
450.10468	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
57.03323	6.4
59.01247	36.0
63.47832	0.7
63.58568	0.7
69.03302	1.0
69.71138	3.3
69.71547	1.3
71.01257	12.3
71.04879	0.8
73.02799	2.6
79.77021	0.6
83.01268	0.7
85.02818	4.6
89.02290	2.1
95.01260	0.8
97.06378	0.7
99.00711	1.6
101.02325	8.8
113.02335	5.9
115.08077	0.6
119.03362	0.9
123.08028	1.1
137.09610	5.2
151.11165	2.0
153.09209	0.9
153.12735	3.1
158.66946	0.8
159.02953	1.2
161.04453	15.5
163.11189	2.7
169.87350	0.7
181.12288	1.6
191.10678	0.7
195.13835	5.3
197.15387	6.5
207.13855	4.7
225.14902	100.0
226.15265	5.9
239.27161	0.7
289.59012	0.6
306.48889	0.9
316.58252	0.7
376.35812	0.8
387.20276	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	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03296	0.4
59.01249	31.6
60.01585	0.3
63.02264	1.4
65.00192	2.6
71.01246	2.4
71.38628	0.6
73.02824	0.8
79.01778	0.4
79.14870	0.2
79.74582	0.3
83.01252	2.6
85.02817	1.1
87.00712	0.3
89.02309	1.8
91.01775	0.7
93.03339	0.8
95.01270	0.4
97.02788	0.3
101.02335	2.3
107.01268	6.1
108.02062	2.0
109.02840	4.5
113.02311	1.1
118.22533	0.2
119.01269	0.6
119.03431	0.8
119.04886	1.5
121.02829	5.2
123.00791	0.3
124.01534	0.6
125.02317	0.9
133.02803	0.2
135.00792	1.4
137.09393	0.2
139.03905	0.8
143.05017	0.3
145.02855	0.9
146.74236	0.3
147.00768	0.4
148.01552	1.5
149.02339	1.2
149.16481	0.3
151.00267	21.0
152.00664	0.9
153.01852	0.5
157.06488	0.5
159.02867	0.4
159.04395	0.8
161.04471	3.2
163.00302	5.0
163.03880	0.3
164.00934	1.0
165.01851	1.3
167.04907	0.5
169.01308	1.6
170.03679	0.3
171.04414	0.5
174.03137	0.2
175.03957	0.8
178.99785	10.7
180.00241	0.4
183.02774	0.3
183.04407	0.9
185.06061	0.3
187.03946	1.2
190.99771	0.5
192.00565	0.8
193.01366	0.6
198.03012	0.5
199.03851	1.3
201.01828	0.5
201.05495	1.0
203.03459	0.8
211.03941	2.7
212.04427	0.5
213.01807	0.5
213.05435	0.3
214.02620	0.4
215.03432	1.2
216.04176	0.9
217.01538	0.3
225.14981	1.6
226.02686	1.6
227.03419	5.0
228.03912	0.8
229.01419	0.5
229.04962	2.0
239.03561	0.6
240.04094	0.4
242.02113	0.3
243.02959	13.6
244.03424	1.5
245.04536	3.3
246.04976	0.3
254.02161	2.3
255.02965	33.2
256.03394	3.5
266.02136	0.9
271.02469	64.4
272.02911	7.2
273.04053	2.2
283.02509	2.8
284.03088	0.4
285.07648	1.8
286.01065	0.3
299.02213	1.9
299.05154	0.4
300.02731	100.0
301.03476	82.8
302.03833	7.0
315.01471	0.5
327.07300	0.5
387.20282	4.0
388.20709	0.9
447.09283	61.7
448.09702	8.4
462.46027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20407	0.3
55.96956	0.3
59.01252	0.5
62.96273	1.2
65.00207	0.3
71.06151	0.5
71.06499	0.3
72.99168	0.3
73.37339	0.2
78.95773	41.5
96.96840	2.6
109.02796	0.4
113.27250	0.3
113.28061	0.2
118.01014	0.3
121.02843	0.7
148.99991	19.2
150.00301	0.5
151.00304	1.3
151.01483	0.3
152.99515	0.5
158.92424	1.9
163.00294	0.3
178.99696	0.4
179.01054	2.8
205.15892	1.5
211.13274	0.4
243.02931	0.8
254.16112	0.2
255.02974	1.8
267.11557	0.5
271.02472	3.1
300.02719	6.3
301.03506	4.8
302.03772	0.4
347.08252	0.4
417.12585	0.9
431.10306	2.8
432.10797	0.5
447.13440	100.0
448.13858	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	447.1298
Annotation	Poriolin
Peak:m/z	Relative Intensity
55.01755	0.5
58.88533	0.3
59.01251	2.4
65.00195	1.6
66.44270	0.4
69.50791	1.4
69.51219	1.6
69.97449	0.3
71.01239	1.6
77.03838	3.7
79.01294	0.6
79.01762	9.8
83.01273	0.6
85.02840	0.4
89.02312	1.4
93.03339	5.2
97.02823	3.2
98.19822	0.5
101.02336	1.5
107.01266	1.1
108.02037	1.8
109.02829	1.2
113.02328	0.7
118.46580	0.4
119.01392	0.4
119.04916	30.0
120.05265	0.9
121.02840	13.6
122.03605	1.3
128.58293	0.4
135.00748	0.6
136.01553	1.0
137.02283	1.5
139.03882	0.7
145.02858	0.7
149.02333	0.8
150.03134	2.4
151.00267	4.2
152.01039	0.6
153.01701	0.6
161.04475	0.4
163.00256	1.4
164.01054	0.8
165.01840	40.6
166.02156	1.7
178.02635	2.1
178.99760	2.0
179.03407	2.6
183.02925	2.4
183.13812	1.1
186.11310	0.4
187.03906	0.9
191.03412	6.0
210.01663	0.6
211.13332	12.9
227.03384	0.7
241.08655	0.4
243.03011	2.6
253.09219	1.6
255.02971	5.9
256.03391	0.7
271.02460	12.9
272.03085	0.8
283.02393	0.6
285.07675	100.0
286.08020	8.5
300.02737	21.0
301.03485	18.3
301.06430	0.3
302.03830	1.1
315.18265	0.5
322.72327	0.4
357.09775	0.8
447.08398	7.1
447.12811	19.7
447.22583	1.0
448.08093	0.6
448.14188	2.7
474.19321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18624	0.6
59.01257	1.3
65.00207	1.9
69.27948	3.9
69.28376	2.2
71.01258	0.7
77.03867	2.5
79.01758	9.5
79.02186	0.6
81.55444	0.6
83.01272	0.9
93.03339	8.2
95.98499	0.5
97.02860	2.4
100.48183	0.6
105.50008	0.5
107.01282	2.0
109.02829	0.7
118.30145	0.6
119.04915	39.3
120.05279	1.8
121.02843	13.7
137.02341	1.2
145.02844	1.2
150.03032	0.8
151.00276	5.3
163.00369	0.8
163.26181	0.5
165.01845	40.6
166.02266	2.0
178.02625	1.0
178.99773	2.9
179.03349	3.1
183.02953	1.7
189.01898	1.0
191.03416	3.6
210.01770	0.7
211.13341	3.1
227.03488	2.6
229.04854	0.7
243.02945	2.7
255.02988	8.1
257.04678	0.7
269.04620	1.1
271.02475	12.8
272.02914	1.9
283.02396	0.8
284.03223	1.9
285.07666	100.0
286.07999	10.0
287.72482	0.6
300.02728	25.0
301.03473	21.6
302.03741	1.9
309.07684	1.2
314.04236	2.0
315.04837	0.6
327.08759	1.5
395.38446	0.6
429.08508	0.8
447.09125	20.6
448.09689	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	447.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29889	0.5
50.42184	0.5
54.20156	0.5
59.01249	2.9
67.99892	0.5
71.01257	6.9
71.09157	0.5
71.27834	0.5
71.28178	0.7
73.02814	2.5
85.02820	4.0
85.38635	0.6
89.02315	1.7
95.01254	2.5
99.00767	3.3
101.02327	3.7
108.02048	62.5
109.02851	17.2
110.03172	0.5
113.02325	2.5
123.00771	2.4
125.02318	0.5
133.02852	0.6
135.04376	0.8
151.03903	1.8
152.01051	100.0
153.01523	3.7
159.02890	0.7
161.04454	1.6
163.03908	3.5
169.01323	1.0
181.35535	0.6
207.02943	0.5
271.08185	0.8
315.07184	0.8
390.45135	0.5
411.10645	0.5
447.11417	70.9
448.11819	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	447.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34668	0.5
59.01258	2.8
71.01254	6.8
71.06361	1.5
72.32860	0.7
72.84458	0.6
73.02818	2.3
83.01248	0.7
85.02821	4.0
89.02309	1.4
95.01270	2.2
99.00752	3.0
101.02319	3.4
108.02050	51.7
109.02866	12.5
113.02318	2.7
123.00743	0.9
123.04461	0.7
135.04381	1.1
151.03909	1.5
152.01053	100.0
153.01430	4.4
159.02942	0.8
161.04422	2.1
163.03833	2.9
164.07588	0.6
177.01747	1.0
303.48407	0.5
315.07471	0.9
447.11417	94.3
448.11737	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	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02258	1.2
65.00201	2.1
69.49364	2.5
69.49782	2.1
83.01261	1.2
93.03321	0.8
98.20580	0.6
103.23703	0.6
107.01274	4.7
108.02053	2.0
109.02817	3.1
119.01247	0.7
121.02811	4.1
127.38557	0.5
132.24205	0.7
135.00751	0.6
148.01579	2.1
151.00266	19.4
163.00244	5.1
164.01009	0.7
169.01300	1.5
178.99763	9.2
183.04417	1.3
187.03825	0.9
190.99710	0.6
192.00612	0.6
193.01332	0.7
199.03943	1.3
201.05460	1.1
203.03493	0.7
211.03923	2.5
215.03455	0.7
217.95149	0.6
226.02827	0.8
227.03410	4.3
229.05009	1.7
243.02940	12.0
244.03413	0.8
245.04495	2.6
254.02141	2.1
255.02950	31.8
256.03448	1.7
271.02448	56.5
272.02878	5.1
273.04059	1.9
283.02448	2.9
299.02011	2.6
300.02719	100.0
301.03470	86.0
302.03873	5.9
447.09277	76.6
448.09628	7.2
456.42682	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	0.3
57.03318	0.3
59.01250	2.6
62.53268	0.1
68.99663	0.2
69.03303	0.2
70.32363	0.6
71.01246	6.9
72.99171	0.3
73.02808	2.5
75.00735	0.3
79.01768	0.3
81.03345	0.2
83.01252	0.7
85.02822	3.8
87.00755	0.3
89.02309	1.5
94.56477	0.1
95.01257	1.1
97.02807	0.3
98.24991	0.1
99.00751	2.8
101.02324	2.7
105.01802	1.4
108.02048	54.5
109.02853	16.9
110.03164	0.5
113.02322	2.6
118.97994	0.7
121.02826	0.6
122.03660	0.1
123.00771	1.1
123.04394	0.7
125.02312	0.6
131.03340	0.2
133.02844	0.3
134.03593	0.4
135.04416	0.6
143.03407	0.3
145.02882	0.2
151.00246	0.3
151.03897	2.0
152.01048	98.0
153.01617	4.4
159.02876	0.4
161.02396	0.2
161.04465	2.1
163.03912	3.1
165.01878	0.2
169.01343	0.4
175.03888	0.2
177.01794	0.9
179.03403	0.5
181.05000	0.2
183.43190	0.1
207.02878	0.5
211.02438	0.3
220.06821	0.1
271.04645	0.3
271.08209	1.0
297.06171	0.4
315.07208	1.5
403.12381	0.5
443.12100	0.2
447.11401	100.0
448.11783	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98040	0.5
54.70308	0.6
59.01224	0.6
63.02241	0.7
65.00188	1.2
70.34156	1.9
83.01234	0.5
90.94670	0.5
96.49585	0.5
107.01257	2.1
108.02062	0.6
109.02810	0.7
119.05608	0.5
121.02825	1.5
125.02337	0.5
125.76100	0.5
135.00751	1.2
148.01555	1.1
151.00272	7.5
153.01889	0.7
162.93958	0.6
163.00270	1.6
164.00941	0.7
173.02347	0.5
178.99750	3.1
180.34291	0.6
183.04424	1.2
185.06009	0.6
187.03926	1.2
199.03859	0.8
203.03468	0.6
210.13156	0.5
211.03932	2.3
226.02597	0.7
227.03427	56.1
228.03822	5.0
229.05005	2.0
239.03418	1.3
240.04076	0.7
243.02963	3.9
245.04552	0.7
255.02942	73.8
256.03516	9.2
257.04401	1.7
271.02423	16.5
272.02838	1.4
283.02438	0.7
284.03232	54.7
285.03918	17.1
287.01868	0.7
299.02106	0.7
300.02728	25.3
301.03470	23.1
302.03983	1.4
315.01453	1.7
327.05127	0.7
447.09296	100.0
448.09680	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	447.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81626	0.7
61.85190	0.7
65.00191	3.1
70.34096	3.1
83.01231	1.2
85.57936	0.8
88.14106	0.7
93.03326	3.4
95.01235	1.8
107.01264	4.5
108.02054	1.3
109.02824	2.5
109.99947	2.0
111.00739	2.4
121.02847	1.4
123.00744	1.5
124.01540	0.9
135.00764	1.1
137.02336	1.1
139.00328	2.2
151.00279	9.8
152.01060	1.4
152.99110	0.9
153.01819	1.7
155.04977	1.2
157.06456	1.0
159.04408	1.8
162.03798	0.8
163.00230	2.2
164.01041	0.9
165.01820	0.8
165.98990	2.1
166.99817	1.0
171.04385	2.5
173.05946	1.2
178.99776	4.8
183.04405	3.1
187.03963	1.8
198.03055	0.9
199.03964	3.2
200.04590	1.2
201.05492	3.0
211.03999	4.0
215.03456	2.4
216.04103	0.9
226.02589	2.1
227.03459	12.0
228.03845	1.5
229.05035	2.5
243.02968	23.1
244.03270	1.4
245.04538	3.4
254.02148	2.3
255.02950	53.1
256.03333	4.1
257.04550	8.3
271.02469	65.4
272.03098	12.8
273.03864	1.8
283.02475	9.8
284.02972	1.1
285.03983	1.2
285.07590	1.1
299.01819	1.4
300.02728	51.9
301.03500	65.9
302.03943	4.8
433.99686	0.8
447.09271	100.0
448.09613	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	447.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34777	0.3
59.01238	1.0
63.02259	1.8
65.00195	2.6
68.27169	0.3
70.98621	0.8
83.01257	2.3
84.57885	0.3
91.01752	0.7
93.03327	0.6
94.66161	0.3
107.01262	7.3
108.02049	2.6
109.02827	5.2
109.03510	0.6
119.01263	0.7
121.02831	4.5
124.01527	0.4
125.02326	0.7
135.00819	1.8
139.03932	0.7
145.40077	0.3
147.00758	0.6
148.01541	2.8
149.02330	0.9
151.00261	21.1
152.00603	0.7
159.04414	0.9
163.00267	5.9
163.03874	0.3
164.01028	1.3
165.01817	0.5
167.04955	0.4
169.01320	1.2
171.04387	0.5
173.05978	0.8
175.03947	0.7
178.99774	9.1
183.04376	1.4
185.05963	0.4
187.03929	1.4
189.05478	0.5
190.99805	0.6
192.00574	0.6
193.01309	0.4
199.03882	1.8
201.05467	1.3
203.03395	1.2
211.03937	2.5
212.04674	0.4
213.01802	0.5
215.03424	1.1
216.04189	1.0
217.04991	0.4
226.02727	1.9
227.03433	6.5
228.04041	1.0
229.04996	1.7
239.03470	1.0
243.02942	16.6
244.03493	1.2
245.04475	3.7
246.04987	0.3
252.82443	0.3
254.02203	2.3
255.02943	36.7
256.03360	2.5
257.04578	0.4
271.02448	74.0
272.02869	5.6
273.04016	1.8
283.02359	2.0
299.01910	1.8
300.02710	100.0
301.03467	97.4
302.03833	6.5
343.04541	0.6
380.29343	0.3
447.09274	98.8
448.09622	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24922	0.4
58.12357	0.5
59.01245	0.9
63.02266	1.4
65.00205	2.5
75.64502	0.4
82.98277	0.4
83.01272	1.5
92.83780	0.5
93.03339	0.5
107.01270	4.7
108.02065	1.9
109.02843	4.3
117.03336	0.8
119.01259	0.6
121.02853	4.0
124.01538	1.1
125.02345	0.5
135.00735	1.7
139.03876	0.6
145.02850	2.9
147.00763	0.9
148.01550	2.4
149.02370	1.1
151.00272	20.8
159.04446	1.0
163.00270	6.2
164.01057	1.2
165.42305	0.6
167.04922	0.5
169.01312	1.3
171.04373	0.8
175.03865	0.7
178.99770	9.3
183.04398	1.2
187.03902	1.3
192.00610	0.7
193.01659	0.5
199.03934	2.2
201.05482	1.5
203.03462	0.8
211.03903	2.5
215.03476	1.8
216.04025	0.8
217.04845	0.6
226.02721	3.0
227.03423	5.9
228.04041	0.6
229.04947	1.3
239.03470	0.6
242.02086	0.8
243.02948	19.9
244.03333	1.2
245.04453	3.7
254.02235	2.6
255.02953	37.2
256.03317	2.6
257.04483	0.9
270.01700	1.1
271.02454	80.4
272.02917	5.9
273.04068	2.0
283.02451	2.1
285.03967	2.5
299.01971	2.2
300.02722	100.0
301.03476	73.9
302.03860	5.3
314.04266	2.7
315.04770	0.8
343.04395	0.7
447.09262	78.8
448.09512	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	445.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80703	0.5
55.82324	0.7
56.86693	0.5
57.03328	6.1
59.01250	43.8
63.61115	0.6
70.87659	1.0
70.87996	0.9
71.01257	9.1
73.02816	2.5
76.79861	0.6
79.59338	0.6
83.01234	0.7
85.02828	3.4
85.08784	0.6
88.48757	0.6
89.02322	2.8
95.04895	1.8
97.06482	1.3
99.00792	1.1
101.02320	6.1
109.06494	1.7
113.02329	4.5
115.55773	0.5
116.51311	0.6
119.03397	1.1
123.04416	5.9
123.08054	0.7
135.08116	0.8
143.03445	0.8
147.08078	3.4
149.09598	1.3
151.11166	3.6
152.03418	1.7
153.09099	1.1
159.02878	1.1
161.04466	24.7
161.09613	2.0
162.04851	0.9
163.06033	0.8
163.11224	1.7
164.08350	0.8
175.11136	0.9
177.12720	1.6
179.10695	100.0
180.11046	5.4
183.04439	0.9
187.11224	5.3
188.11560	0.6
189.09116	1.5
203.10703	1.9
205.12280	62.9
206.12624	4.8
223.13319	9.0
255.02934	1.8
283.02448	4.6
294.66940	0.7
299.01868	1.5
301.03696	0.8
341.16019	4.9
342.16367	1.0
367.17239	1.3
429.82294	0.7
445.07254	0.8
445.17111	1.4
446.08456	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	2.6
56.43347	1.1
57.03310	3.8
59.01247	63.7
59.57642	1.3
69.03326	1.3
71.01250	53.7
71.34447	2.3
72.99187	3.0
73.02819	13.8
75.00754	1.5
83.01252	6.6
85.02823	29.5
87.00741	12.7
89.02306	22.4
92.39508	1.1
94.44996	1.3
95.01244	3.4
97.02808	1.4
99.00739	7.3
99.03793	1.4
101.02318	31.8
107.01259	2.3
109.02838	1.3
111.00778	5.5
113.01611	1.9
113.02325	23.5
119.03397	8.5
121.02795	1.3
121.06454	6.2
123.08076	1.4
125.02345	7.6
129.01801	3.5
131.03452	1.9
133.02786	1.2
137.02359	2.0
137.05965	13.2
137.08678	2.0
137.09616	21.2
140.00935	1.5
143.03398	4.4
149.09657	2.0
151.00264	6.3
151.03909	2.2
154.99709	1.9
159.02896	5.7
161.02399	2.2
161.04453	44.1
168.00462	1.4
169.01314	3.7
170.91408	1.3
175.02429	1.3
175.11160	6.8
177.12766	3.9
178.99812	2.0
179.05492	4.9
187.11221	7.3
189.01807	1.6
199.03903	1.5
203.10640	1.8
204.11497	9.6
205.03488	1.6
205.12268	100.0
206.12605	6.9
219.13799	1.2
229.12215	5.1
241.01408	2.6
243.02916	2.8
247.13396	9.9
255.02937	13.5
259.13345	3.7
270.01563	2.4
271.02396	9.0
277.14383	11.5
283.02481	5.4
284.03186	1.9
285.04019	3.5
298.01324	3.1
299.01974	17.5
300.02643	5.3
301.03503	6.9
302.66226	1.3
341.02942	5.8
367.17581	8.6
445.07806	10.7
446.08365	7.7
462.65958	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02786	0.7
59.01249	6.8
65.96111	0.8
66.58939	0.8
71.01257	2.5
71.56968	0.9
72.99161	0.9
75.00743	68.6
75.09723	0.7
76.81786	0.8
77.25800	0.8
87.00768	1.1
89.02319	4.0
101.02341	1.9
103.00247	100.0
104.00597	1.2
104.03407	6.6
105.01836	1.1
108.02038	1.6
109.02837	1.9
113.02309	1.5
119.03386	2.4
123.04427	0.8
134.12639	0.7
135.02867	2.0
135.04439	0.7
144.25905	0.8
152.01071	1.6
153.01796	2.1
165.95667	0.9
179.05524	3.9
205.40543	0.9
315.07156	3.0
327.03629	1.2
341.10837	11.4
409.04001	1.1
422.75595	0.8
445.10571	1.4
446.11227	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	5.0
59.01248	100.0
60.01581	1.7
70.34998	3.1
71.01247	14.6
73.02818	2.5
83.01256	2.8
85.02808	3.8
87.00761	0.9
89.02315	18.5
93.03326	1.1
95.04890	1.4
97.02832	1.5
97.06453	2.2
101.02305	18.0
107.04891	1.1
109.02830	1.1
109.06491	1.1
113.02306	6.7
117.94884	0.9
119.03396	11.2
121.06407	1.0
123.04433	4.4
125.02320	4.7
137.02289	1.2
143.03397	2.5
145.02815	1.2
147.08018	2.1
149.04440	1.3
149.09605	1.7
151.11153	2.3
153.09093	1.1
159.02907	1.2
161.04449	17.1
161.09605	1.3
163.11203	1.4
171.08086	1.2
173.04407	2.5
177.12634	1.6
179.05531	7.1
179.10689	55.4
180.10994	3.1
187.11246	5.1
203.10652	1.5
205.12263	50.8
206.12596	4.7
223.13350	15.2
235.13341	1.3
237.14851	1.8
247.13303	1.1
265.14395	3.7
271.06085	3.6
289.07224	7.6
341.15958	2.7
370.36996	1.3
376.06125	1.0
424.34140	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1135
Annotation	Galangin 3-methyl ether 7-glucoside
Peak:m/z	Relative Intensity
55.07504	0.7
61.98680	0.9
63.24848	0.7
63.81121	0.7
65.00163	1.5
66.81730	0.8
69.51226	5.7
69.51645	1.7
74.09489	0.9
79.01770	1.5
93.03333	1.2
104.86985	0.7
107.01281	1.8
108.02098	0.9
117.03324	4.2
121.02845	4.5
135.00745	0.9
145.02853	2.0
151.00308	5.0
159.04353	1.0
160.17661	0.8
161.02347	2.5
163.00269	2.5
165.01862	4.0
171.04384	0.9
177.05725	0.8
178.99808	3.5
182.48363	0.8
209.05942	1.2
211.03932	1.4
213.05540	1.0
225.05429	1.8
237.05495	0.9
239.03552	1.1
241.05066	6.7
243.02916	3.6
243.06679	1.4
247.07372	0.8
253.04984	4.8
254.02177	1.0
254.05843	2.1
255.02956	6.7
256.03348	1.2
269.04538	12.5
270.01617	1.2
270.04883	1.5
271.02472	16.5
272.03006	1.2
281.04523	15.1
282.05325	100.0
283.06027	32.3
284.06549	2.7
298.01395	1.4
298.04755	13.7
299.02014	2.6
299.05569	31.6
300.02750	19.2
300.05920	2.7
301.03497	33.0
301.06943	1.6
302.03879	3.0
313.03595	0.9
325.07169	1.4
445.11716	80.6
446.12149	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	445.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66718	0.5
71.38823	0.8
77.03838	0.8
93.03343	1.3
98.00950	0.4
121.02844	1.5
123.04414	0.8
129.29936	0.4
132.02042	0.5
137.02319	1.2
138.90657	0.4
149.02322	1.1
165.01843	1.3
171.08058	0.4
177.01825	2.0
181.99532	0.4
197.05995	1.3
199.07584	1.1
225.05457	2.4
227.07196	0.7
238.94406	0.5
240.04155	0.5
241.05019	41.1
242.05359	2.8
243.06583	3.8
253.05095	1.0
254.05815	0.6
255.02911	0.7
255.06670	2.5
269.04538	69.2
270.05099	10.4
271.06055	1.7
281.04599	0.8
283.06152	1.9
298.04816	66.1
299.05569	100.0
300.05942	7.8
312.06265	1.6
313.06885	1.0
341.06757	0.7
357.52298	0.5
445.11377	80.5
446.11682	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	445.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73464	0.3
59.01242	2.0
69.03323	0.7
69.50386	2.5
71.01245	1.1
81.03332	1.2
85.02813	0.9
89.02328	0.4
93.03316	0.8
95.01257	1.0
97.02831	0.5
103.00233	0.5
107.01269	0.7
108.02050	100.0
109.02853	26.2
110.03136	0.5
119.04910	0.5
121.02815	1.3
123.00761	0.8
123.04407	0.6
125.02280	0.7
133.02840	1.0
135.00777	1.2
135.04413	0.3
135.20837	0.3
144.61798	0.3
147.04443	2.9
150.21953	0.3
151.00259	0.9
151.03937	0.7
152.01054	69.4
153.01843	23.1
153.59799	0.4
154.02185	0.8
161.02357	1.0
161.04555	0.3
163.03896	1.0
165.01846	1.3
167.08598	0.8
178.99768	0.4
183.08054	1.7
195.08130	0.7
197.06017	1.1
197.34576	0.3
207.02901	0.5
209.11798	0.6
210.06831	1.0
211.07570	3.6
212.08115	0.4
221.06009	0.5
237.05492	0.3
238.06331	0.5
239.07089	8.6
240.07338	0.5
241.01378	1.1
241.05026	0.7
242.02084	0.4
245.00812	0.6
253.08688	0.6
255.06595	0.5
269.04483	1.3
270.01740	1.3
271.02533	1.6
281.08054	0.5
297.06143	0.4
298.01294	0.5
298.04822	1.0
299.01947	2.2
299.05618	1.4
301.03427	0.8
355.96948	0.4
445.11407	70.1
446.11722	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	445.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46224	1.1
69.46634	2.5
70.26834	0.4
77.03819	0.9
79.01759	0.8
93.03331	2.7
105.03323	0.8
121.02840	3.7
123.04376	2.0
132.02051	1.7
135.04355	0.6
147.99036	0.5
149.02373	4.1
151.03854	0.6
165.01834	1.5
167.03362	0.5
167.04736	0.5
169.06500	0.6
173.05937	0.9
177.01849	2.6
178.76778	0.5
179.03435	1.1
197.06000	2.0
199.03978	0.5
199.07597	0.9
201.05498	1.4
205.01276	0.5
211.03857	1.1
213.05536	1.1
225.05447	4.3
227.03464	11.1
227.07014	0.7
237.05479	0.5
239.03339	0.6
240.04240	3.1
241.05008	100.0
242.05359	6.8
243.06549	4.2
253.05042	2.8
254.05598	0.6
255.02946	19.5
255.06758	1.0
256.03571	2.4
257.04407	0.8
269.04523	53.8
270.05115	8.4
271.06091	2.4
281.04477	2.8
284.03229	2.3
297.03952	1.1
298.04800	76.8
299.05566	96.7
300.05905	7.4
445.11377	69.0
446.11646	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	443.1916
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
57.03303	1.1
57.10236	0.9
58.00455	1.2
59.01247	25.1
62.30835	0.7
69.44167	3.0
69.44596	4.5
71.01248	22.7
72.99166	2.6
73.02798	3.5
76.03162	0.9
83.01227	2.3
85.02817	7.0
87.00734	1.2
89.02310	14.2
94.79829	0.8
95.01248	2.2
99.00737	2.4
101.02314	17.6
111.04362	0.9
113.02321	8.0
113.93030	0.9
119.01065	0.9
119.03398	7.3
119.04911	1.9
136.65237	0.7
141.79898	0.9
161.04488	1.4
163.03868	3.1
189.07112	0.9
189.12756	0.9
304.52753	1.1
443.19156	100.0
444.19452	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	443.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.1
67.66355	0.5
91.95113	0.5
93.00015	0.7
114.32929	0.5
158.89169	1.1
159.08363	4.1
161.06235	1.3
176.59206	0.5
184.67242	0.5
217.07176	1.2
224.82996	0.5
249.70888	0.5
261.04208	0.5
274.03354	0.5
275.06168	0.6
277.07507	2.4
278.07568	0.6
343.12094	1.0
345.13742	1.7
357.13849	2.1
359.15311	100.0
360.15475	14.5
377.16428	1.3
384.08957	0.6
425.20163	1.3
427.21545	48.5
428.21744	9.7
433.78085	0.6
443.24783	8.8
444.24966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0774
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
59.01235	0.8
63.02259	2.3
65.00195	3.2
69.47268	1.4
69.47695	1.4
71.57127	0.4
73.02798	0.4
83.01254	2.6
85.02813	0.7
89.02315	0.9
93.03331	7.9
105.33308	0.4
107.01254	6.5
107.04861	0.4
109.20697	0.3
115.13359	0.3
117.03339	0.5
121.02814	0.8
123.04413	0.5
125.02341	5.0
133.02832	0.7
135.04443	0.8
137.02336	15.9
145.02852	2.9
147.04396	1.2
149.02313	0.9
149.69385	0.3
151.00270	24.7
152.00711	1.2
153.01814	0.9
159.04407	0.5
161.02341	5.3
162.03079	0.7
163.00224	0.7
163.03917	3.5
165.01811	0.4
169.01329	3.4
171.04303	0.4
173.02324	0.6
174.03119	0.6
175.03951	2.6
177.01859	0.6
178.98175	0.7
178.99768	13.4
183.04378	0.7
187.00362	0.8
187.03821	0.6
189.01825	2.8
190.02606	0.5
191.03442	2.0
192.00537	1.0
193.01349	1.0
195.04498	0.5
197.05975	0.5
199.03975	0.9
201.01875	1.2
203.03432	1.9
207.02840	0.6
211.03934	1.2
213.05489	0.6
215.03459	0.4
215.87357	0.4
217.01463	0.7
219.14653	0.4
221.04541	1.0
225.05424	0.7
227.03421	2.8
228.03632	0.4
229.01442	0.6
229.05013	0.5
231.02954	1.3
238.30226	0.4
239.03448	0.7
240.04201	0.4
241.05038	1.4
243.02936	1.4
245.04526	0.8
251.03435	1.2
253.05005	0.7
255.02924	0.8
257.04504	0.7
267.02948	1.2
269.04578	2.4
271.02457	0.9
279.03036	1.2
280.03644	0.7
283.02417	1.3
284.03174	0.5
285.04089	1.4
293.04242	0.5
295.02463	6.8
296.03265	1.9
297.04016	6.9
298.01288	0.5
298.04489	0.5
299.02002	0.9
299.05579	0.8
300.02603	1.0
301.03458	3.6
309.03937	0.5
311.02014	2.3
312.02750	0.8
313.03531	6.8
314.04044	0.6
315.04901	0.4
323.01926	10.3
323.05585	0.7
324.02609	1.3
325.03275	0.7
327.01450	6.8
327.05087	0.9
328.01767	1.0
337.03519	0.5
341.03006	22.4
342.03351	1.9
353.02905	0.5
355.04703	2.1
371.04028	0.8
373.05527	1.7
383.04031	0.8
399.07071	0.4
427.06891	0.5
445.07709	100.0
446.08041	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22831	0.9
58.00427	1.8
59.01242	17.2
60.13161	0.9
61.58419	1.0
62.15395	1.0
71.01251	12.0
71.56677	1.3
72.99146	1.5
73.02837	1.5
76.95910	0.8
82.72907	1.0
83.01268	1.5
85.02796	4.4
89.02320	9.8
93.03342	1.1
95.12789	1.0
99.00688	1.6
99.25903	0.9
101.02324	8.1
113.02309	4.5
117.03333	15.9
119.03423	2.3
119.04909	68.6
120.05223	3.3
123.00741	1.5
125.02348	1.8
135.04366	1.2
135.06473	1.1
137.02313	1.9
139.00226	1.3
139.03877	2.1
140.01019	1.2
145.02844	74.6
146.03194	2.3
149.06055	1.2
161.02338	1.1
161.04417	1.2
163.03906	100.0
164.04208	4.5
165.05403	1.2
169.01259	1.8
179.05554	1.2
183.29903	1.0
193.08786	1.1
216.41263	0.9
263.09149	3.8
281.10208	2.6
443.15469	67.3
444.15787	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	443.1557
Annotation	Hyuganoside IV
Peak:m/z	Relative Intensity
59.01250	14.4
61.98706	1.1
62.61552	0.7
65.80326	0.7
69.30956	6.2
71.01249	10.8
72.99171	1.6
73.02821	2.0
73.62674	0.6
74.32301	0.5
83.01249	1.0
85.02837	2.4
87.00748	1.1
89.02313	9.0
92.90521	0.7
93.03342	1.0
94.67825	0.6
95.01259	1.4
101.02316	6.9
113.02316	3.0
117.03347	14.7
119.03413	2.6
119.04913	59.5
120.05254	1.5
123.00811	1.7
123.04298	0.6
125.02345	2.6
135.06587	1.3
139.00279	0.9
145.02852	65.0
146.03160	2.6
149.05943	0.7
149.25893	0.6
151.00230	0.9
161.04503	1.1
163.03915	100.0
164.04251	5.8
169.01337	2.1
179.05479	1.2
189.25462	0.9
263.09238	3.7
281.10294	2.7
374.89316	0.7
407.05060	1.2
433.49271	0.7
439.15887	0.6
443.15561	71.9
444.15927	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	441.2491
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01249	100.0
60.01585	0.8
68.99726	0.3
69.03326	0.5
71.01252	7.9
71.22428	0.5
72.99184	0.9
73.02832	1.5
75.00748	0.3
82.95286	0.3
83.01263	1.1
85.02821	2.5
89.02321	0.5
95.01274	1.1
96.00766	0.7
97.02865	0.5
98.55265	0.2
99.00778	0.7
100.14448	0.3
101.02324	2.3
113.02332	1.6
123.00700	0.4
123.08066	1.2
125.02354	1.2
139.11217	0.8
142.90814	0.3
143.03346	0.4
151.00301	0.5
159.02856	0.5
161.04463	3.3
163.03912	0.5
165.05550	0.4
169.01385	0.9
179.14424	0.5
203.05605	1.2
205.12363	0.6
207.21864	0.3
209.18962	0.3
213.05598	0.3
217.00247	0.5
217.15958	0.3
219.17444	2.0
221.15399	2.6
235.17029	0.4
237.18553	15.1
238.18906	0.9
253.54022	0.3
255.05067	0.4
289.07251	0.4
381.22934	0.7
399.24161	0.8
405.04581	2.3
441.06808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1345
Annotation	Ecbolin A
Peak:m/z	Relative Intensity
58.00440	0.6
59.01254	5.0
68.11196	0.6
68.99690	7.9
71.01245	4.0
71.57804	0.7
71.58190	0.9
72.99183	48.4
75.00732	4.5
87.00748	3.9
93.03336	52.0
94.03649	1.7
96.75227	0.7
99.00743	4.2
102.28865	0.6
103.00253	0.9
106.04099	1.9
107.04906	100.0
108.02010	1.1
108.05251	2.3
117.78648	0.6
119.04908	2.6
121.02825	1.0
121.06458	1.1
123.04425	2.2
131.04910	1.3
133.02835	5.7
134.03589	1.3
135.03510	0.5
135.04404	21.9
147.04413	2.6
149.05968	12.0
163.03918	4.4
165.05486	37.0
166.05830	1.4
171.57207	0.6
175.03943	5.3
179.03430	2.5
181.04976	5.4
186.06801	1.3
193.04980	15.4
193.06725	0.8
194.05351	0.7
211.06062	6.6
215.07045	1.4
249.75732	0.6
295.13391	10.4
337.14496	5.6
341.10858	0.7
342.53326	0.6
353.13916	40.0
354.14371	3.7
361.08502	0.7
361.19846	0.8
363.12357	2.2
367.11896	8.4
369.13330	2.1
381.13367	4.3
382.13943	0.9
399.14691	1.2
443.13452	77.0
444.13770	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	441.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21198	0.7
53.29666	0.8
57.03320	1.8
59.01249	100.0
60.01593	0.9
61.98704	1.2
67.01787	0.8
71.01262	6.3
71.58736	1.0
72.99194	3.0
73.02831	1.2
83.01263	1.0
85.02835	2.1
87.00757	0.8
89.02319	3.1
93.03323	0.8
95.01269	1.6
101.02346	2.5
103.00268	2.5
109.02849	1.6
113.02349	2.7
119.04925	0.8
121.02877	0.9
123.00760	1.0
123.04412	0.9
125.02360	4.9
134.03607	0.8
135.04453	1.1
135.08006	1.3
136.40457	0.8
137.02351	1.2
137.09671	1.5
145.02890	1.1
145.06470	0.8
146.99272	1.0
149.06023	0.7
151.00282	1.3
151.03821	1.0
153.76294	0.7
160.08855	3.0
161.04491	2.6
161.09618	1.4
163.03914	2.0
164.04688	3.8
165.05484	1.3
169.01360	6.1
177.12791	2.8
179.03494	0.9
179.05595	2.0
189.12781	10.7
191.14398	0.7
201.12828	5.1
203.06952	0.8
204.11540	1.6
213.05466	1.1
219.13843	76.3
220.14212	6.0
235.07423	1.6
262.19766	0.7
279.06458	2.1
289.07272	2.7
322.40735	0.7
405.04568	5.4
406.05106	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07976	1.3
55.73085	1.1
57.03309	1.9
58.00454	3.5
59.01245	64.9
66.19258	1.4
69.03316	6.0
69.22868	14.2
71.01248	63.0
72.99169	5.9
73.02808	11.5
74.27833	1.3
75.00739	2.2
78.09060	1.3
81.03321	5.1
81.95819	1.4
83.01257	5.4
85.02808	7.4
87.00741	2.8
89.02309	100.0
93.03353	3.2
94.81562	1.3
95.01237	3.9
97.02823	11.4
99.00741	19.3
100.99841	1.2
101.02311	23.0
108.02055	2.3
109.02821	12.3
113.02343	7.7
115.03870	4.2
119.03387	3.2
119.04909	1.7
121.02795	2.5
123.00745	2.5
123.04425	6.8
125.02322	53.4
125.03239	2.7
131.03395	14.5
131.04916	1.8
133.06480	1.7
135.04457	2.4
137.02336	5.5
143.03354	2.8
143.05081	1.2
147.04407	71.5
148.04739	3.2
149.02425	2.2
149.04449	24.0
151.03899	5.5
159.04466	1.5
160.05281	1.6
161.04523	3.0
161.05952	6.0
163.03917	3.5
164.01028	1.8
165.01825	1.9
169.01289	7.0
175.07553	3.6
179.03389	2.0
184.32585	1.3
187.03850	2.9
188.04684	2.3
189.05490	9.0
190.02429	1.5
191.05504	10.7
191.07108	2.1
203.07095	8.8
205.04988	4.8
219.06522	4.0
222.29012	1.3
233.06631	28.8
234.06966	2.8
245.08076	8.6
275.07657	1.7
289.07181	52.3
290.07468	4.5
293.08786	34.1
294.09103	2.0
340.68988	1.3
405.04700	5.2
441.08344	8.2
441.17990	2.2
442.13550	3.5
462.86572	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0823
Annotation	Catechin 4'-O-gallate
Peak:m/z	Relative Intensity
56.03957	1.5
57.03314	6.1
59.01241	9.6
59.65339	1.7
69.03308	2.3
69.47240	15.4
69.96219	1.8
71.01243	2.6
71.36465	1.9
72.99180	6.6
78.95781	2.6
83.01252	4.8
93.03345	4.2
93.94527	1.7
95.01249	3.8
97.02818	5.1
109.02808	5.0
110.42271	1.6
119.04852	2.3
121.02847	3.8
123.00774	5.9
123.04384	3.4
124.01566	2.7
125.02330	38.2
133.02823	2.6
135.04411	2.0
137.02327	17.3
141.03339	2.3
145.02834	4.8
147.04401	2.5
149.02359	2.0
150.03146	2.7
151.00244	4.2
151.03900	2.0
159.04388	5.6
161.02414	3.5
163.03897	6.7
164.01079	2.8
165.01846	9.9
165.05496	3.9
167.03413	4.1
169.01318	10.9
169.02725	3.6
171.04387	3.9
173.02319	5.4
174.03139	6.2
175.03867	2.4
177.01868	4.6
179.03418	5.2
183.04475	2.6
185.05916	4.2
187.03889	11.2
188.04672	3.3
189.01872	3.3
189.05487	2.9
197.02356	11.0
198.03125	10.0
199.03920	5.2
201.01675	4.3
201.05508	3.6
203.03450	3.0
204.04190	4.8
205.04997	6.7
211.03922	3.9
212.04768	3.0
213.05467	6.5
214.02614	17.5
215.03435	100.0
216.03926	4.0
217.04991	41.0
218.05330	2.5
225.05383	2.4
226.02728	2.0
227.03465	9.5
229.01326	3.4
229.04994	5.9
231.02898	7.7
232.03677	7.1
233.04498	16.9
241.05019	3.3
242.02188	6.4
243.02957	16.3
244.03529	1.9
245.04549	6.9
246.05177	4.3
247.06036	8.9
249.05577	3.1
251.03421	2.2
253.04951	2.3
254.05701	2.5
255.02905	2.8
257.04501	18.1
258.04910	2.1
260.03116	2.0
261.03995	8.8
269.04587	3.7
271.02591	4.2
271.06027	1.7
273.04028	17.7
274.04803	4.1
275.05606	86.9
276.05948	4.7
277.04828	2.0
281.04550	7.9
283.02463	5.5
285.04047	87.8
286.04401	5.9
287.05154	2.4
289.07303	3.7
295.06085	3.1
297.03967	9.4
298.04807	2.6
299.05634	4.6
303.05066	20.9
311.05621	2.6
313.07477	1.7
315.05090	11.1
316.05518	2.5
323.05511	4.1
325.03394	2.3
337.07233	5.4
347.05847	2.7
355.08209	4.3
365.06458	2.9
367.04343	3.1
369.09717	2.7
381.05856	2.1
391.04343	3.1
397.09283	4.5
405.04562	20.4
409.05676	3.7
413.08572	2.5
423.07074	5.4
441.08179	28.3
441.20627	3.6
442.08459	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07065	0.3
57.03326	1.7
63.09373	0.3
67.01746	0.6
69.03314	1.5
70.06707	1.5
72.99172	0.4
81.03325	2.0
83.01246	1.7
85.63344	0.3
88.73515	0.3
89.48351	0.2
93.03314	0.6
94.38298	0.3
95.01228	1.4
95.04920	0.9
97.02832	2.8
101.58508	0.3
106.18557	0.3
107.01254	1.8
109.02830	9.2
110.03147	0.4
111.00787	1.0
121.02811	2.0
123.00780	2.1
123.04410	5.2
124.01572	0.8
125.02331	56.9
126.02686	1.7
126.28621	0.3
127.00294	0.3
135.04430	0.9
135.14532	0.3
136.98697	0.5
137.02339	7.7
139.00276	1.2
139.03897	1.2
140.01048	0.9
144.00261	0.3
145.02856	1.9
146.03656	0.7
149.02333	1.9
150.03093	0.8
151.00311	0.7
151.03908	3.9
156.82777	0.3
157.06465	0.4
159.04413	1.8
160.05167	0.4
161.02373	0.7
161.05983	1.9
162.03104	0.6
163.03918	0.5
164.01065	1.2
165.01817	2.3
166.99757	2.1
167.03360	0.4
167.04842	0.4
168.00545	2.6
169.01329	100.0
170.01637	3.2
173.06047	0.3
175.03922	0.8
175.07559	0.6
179.03464	1.4
183.04424	0.4
185.05991	0.9
187.03894	2.0
188.04718	1.3
193.01360	5.3
194.01590	0.3
199.07571	0.4
201.05608	0.6
202.06276	0.5
203.07050	4.1
205.01358	0.4
205.04976	2.6
221.08168	1.0
227.07106	0.9
245.08133	4.9
247.06027	0.4
253.05014	1.3
259.06061	1.4
271.06125	4.5
272.06479	0.6
275.05692	0.4
287.05594	0.9
289.07162	43.6
290.07455	3.1
303.05029	2.3
315.05084	0.6
331.04504	2.9
405.04489	1.1
441.08176	7.0
442.08667	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.8
67.01759	0.6
69.03316	1.7
69.77458	2.3
69.78040	0.4
70.11341	0.3
81.03331	1.7
83.01269	1.1
89.80242	0.4
93.03316	0.5
95.01287	0.5
95.04906	1.0
97.02839	2.7
98.19847	0.5
107.01263	1.6
109.02827	7.9
111.00780	0.7
121.02856	0.7
123.00777	1.9
123.04401	3.8
124.01607	0.5
125.02335	59.1
126.02673	1.9
135.04430	0.8
137.02353	7.6
139.00180	0.8
139.03923	1.2
140.01062	1.0
145.02838	1.8
146.03693	0.5
147.04369	0.4
149.02332	2.2
150.03078	0.5
151.03938	4.1
159.04424	1.6
161.05989	1.5
164.00977	0.7
165.01868	2.1
166.02411	0.5
166.99751	1.9
168.00522	2.2
169.01340	100.0
170.01649	3.6
175.03906	0.7
175.07622	0.8
179.03377	2.5
187.03923	1.5
188.04697	0.8
193.01349	5.1
202.06226	0.6
203.07065	5.7
205.01323	0.8
205.04945	3.1
221.08118	0.9
227.07069	1.0
231.02960	0.7
245.08148	6.4
246.08513	0.6
253.04999	1.2
259.06012	1.1
271.06094	4.0
272.06415	0.6
287.05701	0.6
289.07166	36.5
290.07480	2.5
303.05045	2.2
331.04578	2.3
441.08182	5.2
442.08450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57418	1.6
59.01238	4.5
62.26028	1.3
62.71346	1.4
63.72663	1.4
65.59212	1.5
67.01756	3.6
68.99664	2.4
69.03322	10.6
69.59543	11.6
71.01245	3.4
72.99181	49.7
75.00747	3.4
79.01772	2.3
83.01247	4.8
87.00740	5.5
93.03316	21.2
95.01256	47.8
96.01554	2.1
97.02809	12.7
99.00739	2.4
103.00230	9.6
106.04097	3.1
107.04902	17.6
109.02831	7.4
111.00765	9.0
113.02272	2.4
119.04902	5.9
120.99178	6.3
121.02808	2.3
123.00761	47.8
123.04401	12.7
125.02340	16.0
131.08498	2.0
133.02812	5.2
134.03586	3.3
135.04407	19.2
139.00256	13.3
141.01816	7.1
145.02803	1.9
147.04398	7.8
149.05995	4.9
151.00270	47.0
163.03908	36.4
165.05482	40.3
166.05852	2.4
166.99771	5.4
175.03865	2.0
179.03395	14.0
181.04948	6.7
185.00856	2.0
185.06021	14.3
191.03343	9.4
193.05003	7.6
213.05482	33.4
255.05008	23.3
257.04639	7.7
258.04965	2.2
270.11047	1.7
271.04565	4.9
288.47958	1.7
299.05560	3.9
315.05038	6.6
379.06699	2.6
405.04587	100.0
406.04825	11.5
423.05508	5.4
441.06757	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	1.3
57.03321	1.8
59.01243	28.9
69.03314	6.9
69.47592	11.0
71.01254	15.9
72.12329	1.3
72.99178	26.3
73.02818	6.7
75.00742	1.9
79.01706	1.4
81.03312	1.5
83.01249	9.8
85.02808	7.1
87.00742	2.9
89.02267	2.2
90.85712	1.2
93.03336	11.8
95.01260	32.1
97.02819	12.1
98.19804	2.1
99.00750	5.0
101.02317	19.8
103.00257	4.3
103.68247	1.3
107.04927	8.6
109.02836	1.6
110.65317	1.2
111.00771	3.0
113.02305	8.5
119.04926	2.8
120.99172	1.7
123.00766	33.9
123.04402	1.8
125.02287	8.6
133.02806	2.5
134.03600	3.5
135.04419	13.8
139.00235	7.1
140.01082	1.2
141.01865	6.6
147.04364	4.4
149.05925	4.1
151.00255	25.1
153.01756	2.5
161.04448	5.4
163.03912	23.7
164.04329	2.2
165.05493	19.5
166.99739	3.7
175.04036	1.6
177.01706	1.4
179.03426	9.2
185.00804	3.6
185.05998	7.5
191.03465	6.1
193.04970	4.3
213.05492	21.7
214.05917	1.6
221.44028	1.3
235.11798	30.4
242.89520	1.3
255.05019	15.7
257.04437	4.2
307.57574	1.5
315.05020	3.3
323.62311	1.5
325.03378	1.8
379.06552	3.2
381.17609	35.6
382.17877	1.6
405.04581	100.0
406.04910	10.5
423.06006	3.1
441.06644	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	439.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62411	0.3
57.03323	0.3
59.01263	1.2
70.11870	0.8
71.01250	0.6
73.02801	0.7
78.95773	52.3
89.02306	0.6
95.68243	0.2
96.96836	100.0
97.67545	0.2
101.02319	0.6
125.02353	0.4
295.10336	1.0
337.11267	0.4
439.08630	1.9
439.14459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.6
57.03328	19.1
59.01250	75.6
60.24852	2.0
69.03312	3.9
70.03658	12.1
71.01249	55.0
71.13379	2.2
72.99176	5.7
73.02816	52.5
75.00727	3.1
81.94036	2.2
83.01233	18.2
85.02810	7.9
87.00719	3.4
89.02312	28.3
95.01255	7.0
96.95892	3.1
99.00752	2.7
99.04380	11.5
101.02321	51.8
111.00745	6.1
113.02333	18.3
113.06049	2.3
119.03367	13.6
123.00759	11.4
123.04403	16.4
124.01574	8.1
125.02331	76.5
127.00256	5.1
131.03384	4.9
133.04932	4.0
135.02852	2.9
139.00238	11.3
141.05469	2.7
151.00273	4.4
154.99730	2.6
161.02357	3.1
161.04471	15.1
165.05434	6.5
166.99767	21.2
167.03748	2.6
168.00569	4.4
169.01335	32.8
179.03276	2.7
182.99251	4.7
185.00870	3.7
193.05151	3.4
195.06587	2.8
211.02321	2.7
212.92958	2.3
223.82623	2.4
239.75157	2.8
255.05029	11.3
257.59790	2.4
266.24118	2.2
271.04550	3.3
287.04242	4.2
295.10309	100.0
296.10593	5.4
313.05600	10.5
337.11392	61.5
338.11578	3.4
339.62036	3.0
377.14700	14.0
439.03030	4.1
439.08679	51.7
439.14511	83.7
440.09384	5.5
440.14944	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	439.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	5.7
58.00457	5.2
59.01263	4.8
65.00194	7.6
67.01770	3.3
70.22148	5.2
70.22559	8.6
71.01269	2.6
71.72530	2.3
72.99180	40.4
72.99583	4.1
79.83020	2.4
83.01245	13.4
92.99667	2.7
93.03333	8.2
95.01266	6.9
99.00751	2.9
103.00232	7.6
107.04907	9.8
109.02832	4.9
111.00764	34.0
121.02829	9.9
121.60693	2.4
123.00755	4.5
123.04415	7.1
127.00253	33.5
133.02867	4.1
135.04391	5.3
139.00256	27.0
147.04398	3.3
149.05984	4.4
150.03162	4.3
150.96617	2.6
154.99774	33.5
163.03879	8.3
165.01782	2.8
165.05467	57.6
166.99739	12.0
179.03423	15.4
181.04933	9.8
182.99269	58.1
183.00800	5.3
183.99626	2.8
185.00775	4.1
193.04964	12.1
195.06581	12.0
197.04538	7.4
253.03687	2.9
255.05052	100.0
256.05392	9.1
269.44113	2.7
271.04358	15.7
273.04276	2.7
287.04190	4.9
331.04553	3.1
403.03000	2.7
421.04050	27.1
439.05017	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	439.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00650	0.2
53.09924	0.2
53.42359	0.2
53.48847	0.2
59.01238	0.3
62.03820	0.2
70.71455	0.3
70.71808	0.4
78.95774	43.9
93.96570	0.2
96.95940	7.4
96.96837	100.0
116.54057	0.2
128.22975	0.2
272.10147	0.2
341.11075	0.3
400.81192	0.2
439.08453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	6.8
57.03325	5.0
58.00457	2.9
59.01251	39.4
68.99689	0.7
69.03323	2.2
70.45593	1.3
71.01252	68.3
72.01572	0.5
72.99184	4.0
73.02818	37.4
73.10073	0.5
75.00744	1.9
81.03337	0.9
83.01258	17.1
85.02822	37.5
85.99967	2.1
87.00749	4.7
89.02316	15.9
90.59257	0.5
95.01263	5.1
97.02826	3.5
98.19856	0.6
99.00755	14.5
99.04367	0.6
101.02321	73.6
102.02674	1.7
107.04883	1.9
108.23196	0.5
111.00771	2.5
113.02325	23.1
114.02663	0.6
115.03891	2.5
119.03397	1.2
120.95362	0.5
125.02335	4.4
129.01822	2.0
131.03394	4.0
141.12750	0.9
143.03419	2.6
149.04500	1.9
159.02904	5.1
161.04463	23.3
161.05814	1.2
162.04832	0.5
166.27954	0.6
191.05582	1.1
205.03485	0.8
213.14987	0.7
233.06616	4.3
288.88602	0.6
293.08759	1.9
305.19681	100.0
306.20090	7.1
306.23367	1.1
349.18741	1.2
398.42712	0.5
432.61935	0.5
437.23892	96.3
438.24292	10.6
438.30270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	5.0
59.01250	100.0
68.19736	2.8
71.01248	36.5
71.04876	3.0
71.57233	4.4
72.99156	6.3
73.02814	6.5
81.03346	3.0
83.01221	4.1
85.02828	15.1
87.04350	2.4
89.02312	30.7
95.01245	2.6
95.04895	18.9
99.00726	2.9
99.04391	33.9
100.04640	2.7
100.29550	2.6
101.02312	25.0
107.86847	2.5
109.06456	9.3
113.02319	10.6
119.03379	10.3
121.06487	19.4
123.04398	20.7
123.08069	4.8
125.02328	4.3
134.75633	2.7
135.08075	3.2
137.02299	3.5
147.04442	16.6
149.09596	5.8
150.03116	2.4
151.07510	6.5
155.70258	2.6
159.08034	5.5
161.05977	9.5
169.01326	5.8
173.05984	2.6
177.09120	82.6
178.09479	4.2
179.07050	85.9
180.07396	2.8
183.06514	8.8
195.10223	8.7
197.81009	2.8
211.02449	6.1
222.42778	2.4
223.54922	2.5
239.09178	17.4
271.04578	13.7
401.14236	3.6
437.11383	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	437.1086
Annotation	Fortuneanoside J
Peak:m/z	Relative Intensity
59.01246	2.2
61.82292	1.1
62.60986	1.1
68.78683	1.2
70.59421	2.5
70.59813	2.1
71.01248	3.3
75.36369	1.1
77.44923	0.9
79.01766	1.5
79.41953	1.1
83.01247	1.5
83.83233	1.1
85.54058	1.1
95.01266	2.1
95.04896	2.2
99.80291	1.0
101.02323	2.0
103.00261	1.3
103.80202	1.2
105.21420	1.1
107.01263	6.3
111.00775	2.8
113.02297	1.6
121.09090	1.1
123.00771	14.5
123.04399	30.7
125.02327	38.1
135.80829	1.1
137.37294	1.1
139.00281	3.5
140.01076	2.0
141.01813	2.2
151.00259	8.5
168.00569	3.5
169.01323	47.6
170.01616	1.6
173.38651	1.1
203.10536	1.3
275.05527	1.2
313.05630	17.1
437.10864	100.0
438.11359	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	437.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	7.2
59.01250	23.6
71.01248	19.6
71.58239	4.5
72.99183	7.2
73.02822	5.0
83.01281	7.7
84.21630	2.9
85.02817	6.6
85.06451	4.7
89.02315	9.4
90.49977	3.3
95.01293	3.5
96.12795	3.5
99.00744	3.6
101.02324	14.7
102.71614	3.2
103.00238	10.4
109.02828	41.5
109.06437	5.0
110.56808	2.8
111.00749	5.9
113.02293	7.2
119.03423	3.8
119.04914	3.7
123.00768	10.8
123.04446	8.5
124.01559	41.6
125.02346	39.9
131.07025	21.8
137.02383	4.2
139.03908	11.3
149.05995	3.0
149.46675	2.6
152.01106	4.0
153.01826	63.1
161.04424	3.6
165.05484	7.0
167.03406	8.4
169.01306	5.4
190.23872	3.2
201.11234	10.4
221.11736	3.3
229.11914	3.1
293.09286	5.9
293.12405	42.9
297.06262	18.9
297.38297	3.4
311.07608	6.9
335.13379	16.7
353.28265	3.3
374.93463	3.1
375.16586	4.7
434.16641	3.2
436.25327	4.1
437.10870	100.0
437.16580	7.3
437.25827	4.1
438.11337	10.1
438.71805	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	435.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77170	0.5
55.01752	1.1
57.03324	0.6
58.00468	2.7
59.01247	81.1
60.01560	0.8
69.03329	0.9
69.43624	3.2
71.01250	63.8
72.01563	0.6
72.99171	3.4
73.02815	18.4
75.00743	0.8
81.03333	0.6
83.01238	2.0
85.02824	8.6
87.00732	2.0
89.02312	100.0
90.02657	1.4
90.46315	0.5
95.01254	1.7
97.02822	2.0
97.85957	0.4
99.00753	29.1
100.01073	0.6
101.02316	39.9
102.02622	0.9
113.02320	15.5
115.03889	0.8
119.03375	14.1
123.00710	0.5
125.02325	4.7
131.03392	16.3
131.04378	0.8
132.03749	0.7
143.03381	3.1
145.02849	0.9
148.16525	0.4
149.04454	56.2
150.04791	1.4
161.04494	4.1
179.05540	3.7
186.29712	0.5
191.05533	14.2
192.05843	0.7
221.06529	1.9
233.06656	0.6
251.07645	3.2
289.07074	0.6
293.08771	0.7
435.22263	19.6
436.22580	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	435.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23475	7.3
57.03324	6.2
59.01247	100.0
61.98706	12.8
69.25663	68.5
71.01255	45.5
73.02823	16.2
83.01261	7.6
85.02831	26.3
89.02309	15.9
91.94009	7.0
98.20611	9.5
99.00761	19.0
101.02322	32.2
109.02805	13.7
110.17079	7.9
113.02334	22.2
117.03339	8.2
120.34611	7.5
123.04360	8.2
125.02325	10.6
135.04445	10.1
145.02876	30.6
151.03902	7.7
152.15900	6.7
153.01874	12.9
161.04427	16.3
179.03397	8.7
189.01849	14.5
217.01381	17.9
289.07349	11.8
296.56818	6.5
302.48865	7.7
303.18271	16.9
341.06674	28.3
435.11377	21.2
435.21246	67.5
435.29965	8.6
436.21783	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	435.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.1
55.07900	0.8
58.00462	2.7
59.01248	88.9
62.98253	0.9
69.03320	1.1
71.01250	70.7
71.58857	1.3
72.99172	5.8
73.02819	21.0
75.00728	1.0
78.95741	0.8
82.73936	0.9
83.01263	2.5
84.62086	0.8
85.02823	9.2
87.00755	2.7
89.02313	100.0
89.16154	0.7
90.02665	2.4
93.03325	0.8
95.01263	2.8
97.02809	1.9
99.00755	32.3
101.02323	40.7
103.00269	1.0
109.02784	1.2
111.00767	0.9
113.02319	15.4
119.03381	12.6
125.02354	5.9
131.03389	18.7
135.04378	0.9
136.53246	0.7
137.02289	1.0
143.03419	2.7
145.02826	2.4
149.04457	55.3
150.04816	1.5
161.02364	1.0
161.04468	5.1
161.05617	0.8
163.03885	1.2
165.05508	2.1
176.57217	0.8
179.05510	3.4
191.05554	14.4
191.07179	0.6
221.06573	1.1
251.07617	2.8
273.20572	0.8
289.07043	1.0
340.62912	0.9
375.23978	0.9
435.22000	17.5
435.29623	2.0
436.22171	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74863	11.2
54.76402	9.6
57.35820	11.1
58.35246	10.4
59.01246	87.9
71.01253	45.7
72.99196	25.1
73.02804	12.3
83.01274	16.9
85.02811	21.1
89.02337	16.4
93.03317	14.0
93.27375	10.1
95.74990	10.1
98.20539	29.1
99.74644	10.8
101.02287	19.6
103.00259	49.6
108.47708	10.8
113.02387	10.4
123.68039	11.4
138.05031	10.6
139.03931	12.2
146.99261	28.9
161.04451	15.0
164.38297	13.1
165.01923	12.4
189.01904	14.3
229.20628	13.7
273.07791	13.2
341.06613	27.8
351.03198	12.2
435.10834	17.6
435.16306	21.1
435.21497	100.0
435.29404	41.5
454.77368	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	435.1298
Annotation	Trilobatin
Peak:m/z	Relative Intensity
55.99773	0.6
57.03324	1.2
59.01242	2.2
65.00191	1.2
65.24504	0.5
71.01234	0.8
71.58350	1.3
81.03322	11.0
83.01250	5.4
85.02823	0.6
93.03328	7.3
95.04920	0.8
100.08943	0.6
103.52660	0.6
107.01251	2.3
117.03328	0.8
119.04917	15.3
120.05264	1.9
121.02804	0.7
121.05484	0.6
123.00757	0.8
123.04408	32.2
123.67574	0.5
124.01015	0.5
124.04738	0.8
125.02334	20.4
126.02657	1.5
135.04434	1.1
139.03906	0.6
149.02359	1.9
151.00247	3.5
152.00653	0.8
167.03415	74.3
168.00507	0.6
168.03757	2.5
169.01346	3.6
170.01669	1.9
171.01802	1.8
179.03413	8.6
189.01720	0.7
189.05492	2.3
191.03477	1.3
220.63109	0.7
227.03372	1.0
228.03821	1.1
229.03952	0.9
229.08586	0.6
255.06610	0.6
257.03604	2.4
258.03806	0.9
259.04013	1.4
273.07672	100.0
274.07990	6.7
285.03937	0.9
286.04080	3.1
287.04523	2.5
288.04605	2.2
289.05051	1.9
297.07907	0.9
315.06064	1.7
341.06378	1.2
358.01050	0.5
435.11908	17.8
436.12460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63435	11.8
59.01233	89.9
67.92074	10.5
71.01226	11.6
71.58489	26.4
72.99179	32.4
78.95768	14.4
80.74451	10.5
93.03347	13.8
96.37052	11.5
101.02292	21.3
103.00240	53.9
104.66969	11.4
109.02827	14.6
115.83648	9.9
119.04854	16.8
123.04385	18.5
145.02838	19.8
177.01834	23.9
189.01822	56.1
191.03397	14.6
203.03473	12.4
217.01392	31.6
219.02904	13.0
229.53775	11.8
341.06564	100.0
435.11157	57.4
435.16135	17.5
435.21344	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1295
Annotation	Catechin 3-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
54.04521	1.0
57.03301	1.1
58.00442	1.2
59.01249	11.6
62.28595	0.8
66.33182	0.9
69.37120	0.8
71.01251	5.5
72.99179	55.6
73.02802	1.3
74.60631	0.9
75.00750	5.2
81.03289	1.6
83.01234	2.2
85.02822	2.3
87.00725	3.6
93.03331	53.3
94.04095	3.1
95.04908	1.8
97.02801	1.7
98.72025	1.0
99.00767	5.2
101.02294	3.8
103.00170	1.6
106.04111	3.6
107.04905	48.8
107.08540	12.2
108.02040	2.3
108.05172	1.8
109.02839	5.5
117.03362	6.1
119.04922	7.1
120.05656	3.8
120.97271	1.0
121.02794	3.6
123.04407	6.2
125.02310	5.1
131.04877	2.3
133.02826	6.1
133.03671	1.0
134.03641	2.3
135.04419	24.6
135.08046	30.5
136.08401	1.9
137.02364	4.8
145.02846	20.9
147.04417	2.3
149.02257	1.8
149.05991	11.8
151.03862	2.5
151.07510	1.3
153.93993	1.0
161.05878	1.2
163.03946	6.2
165.01859	8.4
165.05479	41.4
166.05763	1.6
175.03839	3.0
177.01772	1.2
179.03407	18.3
179.06999	4.1
181.03574	1.3
181.04974	11.8
189.01825	1.7
191.47525	1.1
193.03331	1.4
193.04977	18.8
197.08070	1.5
203.07085	2.3
205.04832	1.2
211.06044	5.7
221.08144	1.0
245.08095	4.1
255.05066	12.3
269.08081	1.8
271.06503	1.0
274.36545	1.0
289.04025	1.5
289.07159	21.4
301.14316	3.8
303.04108	1.0
303.18039	1.3
321.64682	1.1
328.97125	1.4
341.06525	3.4
345.13242	5.1
345.16998	1.8
359.11267	6.0
360.11536	1.3
435.12677	100.0
436.13202	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	435.1295
Annotation	Arthromerin B
Peak:m/z	Relative Intensity
55.01748	0.5
57.03312	0.5
58.76300	0.4
59.01250	10.6
61.98684	0.7
64.92323	0.3
65.00163	0.4
67.01758	1.0
68.99690	0.5
69.03313	1.1
71.01247	5.8
72.99183	1.3
79.01767	1.9
81.03318	0.7
83.01258	1.9
85.02824	2.7
87.00758	0.6
89.02312	3.8
93.03327	0.4
95.01263	3.2
96.99119	0.4
97.02827	1.4
99.00769	0.7
101.02319	3.4
107.01266	5.4
111.00771	3.5
113.02329	2.8
115.09668	0.4
119.03361	0.8
119.04881	1.1
123.00767	21.7
123.04362	1.8
124.01624	1.9
125.02332	22.8
126.02668	0.7
127.00275	1.0
136.98685	2.2
137.02354	0.7
139.00269	6.3
140.01056	4.3
141.01848	4.2
149.02319	0.5
151.00267	15.3
151.03864	0.4
152.00598	0.6
153.01793	1.2
153.62685	0.4
154.99684	0.6
163.03897	0.6
166.99896	0.5
167.03404	5.1
168.00562	5.0
169.01332	27.0
170.01656	1.1
179.03413	1.0
181.04930	0.5
182.68677	0.4
199.13295	0.5
211.02405	7.4
229.31628	0.5
233.60783	0.4
262.87521	0.4
271.04599	5.0
273.07632	4.0
273.10144	0.5
313.05704	1.1
427.36960	0.4
435.12918	100.0
436.13248	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	435.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	11.9
61.98690	2.1
65.96533	0.8
66.55901	0.9
71.01255	3.4
71.58572	1.1
72.99189	3.1
73.02820	1.8
78.95783	1.2
81.03355	1.0
83.01253	1.4
84.36851	0.8
85.02838	2.5
85.56841	0.8
87.00708	0.9
89.02347	1.6
93.03332	7.8
95.04919	1.3
99.00765	1.3
101.02351	2.4
103.00234	1.0
107.04914	3.1
108.02062	1.4
109.02840	18.8
110.88262	0.8
113.02338	1.7
117.03369	2.2
119.04913	4.5
121.02834	1.9
123.04417	13.2
125.02309	1.7
131.08542	1.7
133.02853	2.7
135.04541	0.9
137.02405	1.6
139.00249	1.4
139.03876	1.1
145.02858	9.9
147.04413	2.0
148.01501	0.9
149.02362	2.7
149.06013	0.8
150.03087	1.0
151.03918	8.5
159.04401	2.1
161.02338	2.0
161.04497	1.7
161.05997	2.4
162.03073	1.6
163.03903	1.8
165.01848	2.3
165.05435	1.5
175.04004	1.0
176.01080	1.6
177.01842	24.7
177.04227	0.9
183.13847	1.1
185.05998	1.0
187.03822	4.0
188.04697	1.8
189.01871	28.6
190.02612	7.5
191.03453	4.9
193.04967	1.1
201.03777	1.0
203.03433	3.3
211.13358	6.7
213.14911	10.0
216.00591	6.6
217.01349	19.2
218.01920	1.8
219.02901	7.9
222.01619	1.0
227.07126	2.0
229.05116	2.1
229.08737	2.1
231.02916	6.7
232.03741	1.2
241.05116	1.1
243.06708	1.3
245.08057	1.4
271.06027	5.8
279.06720	0.9
281.04578	8.1
282.04886	0.9
283.06143	3.3
289.07220	5.7
297.07709	4.3
303.18137	2.1
311.05505	3.3
341.06644	100.0
342.06970	8.1
435.10822	17.3
435.21600	1.8
435.26340	1.5
436.11154	1.8
454.58221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1083
Annotation	Epigallocatechin 3-O-cinnamate
Peak:m/z	Relative Intensity
50.12783	1.8
57.03314	4.2
57.73925	1.4
67.62569	1.4
69.50536	4.2
69.50953	9.1
81.03323	2.5
83.01275	4.4
93.03355	7.3
95.04912	3.6
97.02825	6.8
98.19695	2.7
100.75640	1.5
105.03292	1.5
108.02051	1.7
109.02834	28.5
117.03336	31.8
119.04909	23.3
121.02792	7.9
122.03587	2.0
123.04396	17.5
125.02333	27.1
135.04427	3.0
137.01355	3.1
137.02341	33.1
139.03912	4.7
145.02850	84.5
146.03232	1.8
147.04393	2.6
149.02348	8.5
150.03174	2.4
151.03931	9.8
159.04382	4.8
161.02377	2.1
161.06017	6.9
162.03082	3.0
163.03888	10.8
164.01048	4.8
165.01831	42.3
166.02257	2.2
167.40469	1.7
175.07539	2.7
177.01846	5.5
179.03413	6.2
187.03943	6.9
188.04729	2.9
189.01849	13.5
190.02666	3.0
191.03415	2.4
199.07610	2.3
202.06241	3.2
203.07062	15.9
205.05061	10.7
217.01370	7.5
221.08200	2.3
227.07091	5.0
231.03018	5.2
245.08153	17.6
253.08733	4.7
269.08176	14.3
271.06131	4.5
285.07690	3.4
289.07172	100.0
290.07480	7.6
315.04965	2.4
341.06601	25.8
435.10669	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	435.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	3.0
61.98713	0.9
67.01778	0.5
71.01246	2.1
71.58752	0.5
72.99183	0.7
73.02825	0.5
75.00768	0.4
81.03349	0.7
83.01270	0.7
85.02834	0.7
89.02361	0.5
93.03330	11.7
95.01262	0.6
95.04906	1.5
95.47675	0.3
100.68921	0.4
101.02326	1.1
103.05455	0.6
107.04922	2.6
108.02063	1.1
109.02833	14.4
113.02328	0.8
117.03327	1.7
119.04925	2.7
121.02846	2.5
122.03625	1.7
123.00730	0.6
123.03521	0.8
123.04411	15.6
124.01543	1.1
124.04688	0.4
125.02341	4.6
125.73002	0.4
133.02835	2.2
135.04391	0.6
137.02322	1.4
145.02858	8.2
147.04417	3.5
149.02357	1.2
149.99480	1.8
150.03113	2.1
151.00279	0.6
151.03922	7.8
153.01872	0.6
154.02660	0.5
159.04449	1.6
161.02333	2.6
161.04549	0.6
161.06013	0.5
162.03127	1.0
163.00343	0.6
163.03903	0.8
165.01900	0.7
165.05470	0.6
168.00537	3.5
169.01273	0.6
175.03958	0.7
176.01070	1.2
177.01843	25.1
178.02177	1.1
179.03464	0.5
182.02260	0.5
183.98892	0.4
185.97159	0.4
187.03947	2.0
188.04597	0.6
189.01854	50.3
190.02594	13.0
191.03415	11.0
199.13342	0.6
201.01799	0.6
203.03438	6.2
203.07045	0.6
205.04939	0.8
211.07628	0.4
216.00589	9.0
217.01360	34.5
218.01945	3.2
219.02921	13.6
220.03331	0.6
225.05574	0.4
227.07141	0.7
229.01407	0.4
229.05087	0.6
229.08659	4.9
231.02953	12.4
232.03506	1.5
233.04385	1.4
241.04999	1.4
245.08142	0.5
253.05023	0.4
255.06551	0.7
268.03809	0.4
269.04565	0.9
271.05984	3.1
272.06671	0.4
273.07635	2.5
279.06488	0.5
281.04526	2.0
282.05197	0.5
283.06082	1.7
287.04584	0.4
289.07251	4.3
289.16510	1.6
297.07596	1.9
311.05615	5.1
312.05917	0.6
323.05554	1.6
341.06638	100.0
342.06989	8.4
435.10672	33.3
436.11005	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	435.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74310	0.5
59.01250	3.7
61.57927	0.5
62.74304	0.5
65.03822	0.9
69.03319	0.7
69.28470	1.2
69.28870	5.1
71.01256	3.3
72.99197	0.7
73.02834	1.3
75.00758	1.2
81.03330	1.4
83.01257	1.0
85.02814	3.9
89.02327	0.5
93.03334	71.3
93.61024	0.5
94.03664	1.7
95.01263	1.9
98.20492	1.2
101.02349	1.2
107.04883	1.0
108.02048	70.5
109.02854	27.8
110.03217	1.0
112.34267	0.6
113.02314	1.8
120.17272	0.5
121.02830	2.9
121.06491	1.2
122.03648	1.0
123.00775	1.7
123.04365	2.6
125.02335	3.3
133.02872	0.6
135.04420	1.1
137.02339	100.0
138.02686	3.7
141.01808	0.5
151.03947	1.1
152.01053	82.9
153.01846	33.1
153.02922	0.5
154.02190	1.1
161.02335	1.4
163.03914	1.6
165.01842	1.4
168.04211	0.5
169.01318	2.7
177.01836	1.4
179.03397	1.0
189.01843	1.4
191.03348	0.9
195.02751	0.8
207.08289	0.5
217.01344	1.4
219.02872	1.2
229.08810	2.9
231.02808	0.6
289.16388	1.1
297.06143	22.2
298.06363	1.3
301.23282	0.6
315.07227	18.2
316.07571	1.1
324.27734	0.5
341.06635	4.5
435.09119	99.9
436.09512	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	435.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20392	2.2
55.49936	2.4
57.14000	1.9
57.52572	2.1
59.01247	26.5
63.56083	2.5
64.49882	2.1
69.03325	2.9
70.01472	12.2
71.01244	25.6
72.99178	76.5
73.02818	8.4
73.24602	1.9
75.00735	6.0
83.01247	7.7
85.02843	10.6
87.00756	6.1
89.02300	3.3
91.05412	2.6
93.03332	39.0
94.03634	2.1
94.32552	2.1
95.01266	4.4
95.70525	2.2
96.95888	2.9
99.00764	7.6
101.02340	17.9
103.00289	10.5
107.01266	11.5
107.04906	66.5
108.02090	10.4
109.02831	18.8
111.00758	3.1
113.02342	8.0
113.25703	2.4
117.03339	7.5
119.04901	7.5
121.02843	89.2
121.06477	40.8
122.03693	10.2
123.00777	19.4
123.04382	24.1
124.01540	3.3
125.02329	55.1
131.89766	2.1
133.02847	23.1
134.03595	5.7
135.04411	34.4
137.02338	25.1
139.00249	4.9
140.01041	4.4
141.01822	4.5
145.02846	21.1
146.03146	2.6
146.99174	2.4
147.04373	4.5
149.02327	5.9
149.05959	13.8
150.02745	2.2
151.00281	12.4
151.02866	2.8
151.03920	11.6
152.01060	6.6
153.01825	4.2
161.02347	51.0
161.04457	9.1
163.03914	14.8
165.01863	3.9
165.05493	48.0
166.05833	3.1
167.03371	3.1
168.00508	3.2
169.01332	56.7
177.01863	8.1
178.02231	3.4
179.03479	22.1
180.03740	3.0
181.04980	12.9
191.03400	3.7
193.04944	15.5
211.05977	6.9
225.09209	5.3
229.08673	24.3
253.03494	2.3
255.05031	33.3
256.05408	3.5
257.05612	4.3
267.10104	2.2
269.08112	2.3
271.04623	7.7
273.07681	17.7
283.09784	5.5
289.07126	2.6
289.16562	22.3
313.05539	11.9
327.08554	10.7
341.06744	20.5
345.09561	11.5
359.07520	5.7
395.34634	2.3
417.08179	22.2
418.08679	3.6
435.08884	100.0
435.13126	96.5
435.22327	6.2
436.09445	11.2
436.13687	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	433.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	6.5
57.03316	5.6
58.00463	2.2
59.01250	40.2
68.99679	0.7
69.03327	0.6
71.01251	93.4
72.01593	1.2
72.99181	5.2
73.02816	34.3
75.00741	2.1
83.01256	18.1
84.02043	0.8
85.02822	47.1
86.03165	1.1
87.00750	4.7
89.02319	12.0
95.01257	6.4
97.02831	2.7
98.19730	1.0
99.00758	15.5
101.02320	100.0
102.02627	2.2
107.04880	0.7
111.00754	1.5
111.24349	0.5
113.02328	41.4
114.02658	1.2
115.91891	0.6
119.03413	2.9
125.02309	2.5
129.01813	3.0
131.03424	0.7
143.03400	5.9
159.02890	9.7
160.03203	0.6
161.04460	45.9
162.04750	1.8
174.93373	0.6
179.05478	1.2
205.03438	2.0
229.56133	0.5
244.97473	0.9
253.21745	0.6
255.02995	1.5
269.21194	0.8
271.02515	3.2
271.05234	0.5
271.22751	10.0
272.23065	0.7
286.04050	0.7
300.02713	5.6
301.03436	2.0
433.07788	2.0
433.28033	30.0
434.28244	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	433.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	7.7
57.03329	6.1
58.00463	2.7
59.01249	46.7
60.01586	0.5
68.27350	0.5
68.99694	0.7
69.03304	0.8
69.48771	4.2
71.01252	100.0
72.01589	1.8
72.01978	0.5
72.99178	5.7
73.02815	39.2
75.00731	1.9
83.01260	17.2
84.02034	0.6
85.02821	47.7
86.03165	1.1
87.00750	5.9
89.02312	12.0
95.01266	7.2
97.02827	2.7
98.20518	1.0
99.00751	15.3
101.02321	97.7
102.02673	2.4
103.75855	0.5
106.74844	0.5
111.00764	1.2
113.02330	39.1
114.02658	1.3
114.69285	0.6
119.03380	2.8
124.33243	0.6
125.02325	2.0
129.01842	2.2
131.03397	1.1
140.12718	0.6
143.03401	5.7
144.68825	0.6
151.00246	0.7
152.99503	0.6
156.18109	0.5
159.02895	12.0
161.04459	44.1
162.04813	1.6
174.93303	0.9
179.05487	0.8
197.11731	0.7
205.03519	2.2
243.03053	0.6
244.97569	1.1
253.21780	0.7
255.02950	1.2
269.21075	0.9
271.02466	3.0
271.22778	9.5
272.02902	0.7
272.23044	0.8
275.61362	0.6
287.04480	0.9
300.02759	4.3
301.03354	1.1
431.80542	0.6
433.07962	2.1
433.15265	1.0
433.28040	31.0
434.28278	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	433.2592
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
58.20131	0.2
59.00494	0.3
59.01241	0.6
61.39598	0.2
66.39899	0.2
69.81997	0.3
73.11433	0.2
76.85419	0.2
78.95787	0.3
79.57843	0.3
93.03389	0.2
99.08102	0.2
117.03345	15.5
119.04913	25.8
120.05251	0.9
121.02859	1.6
123.04416	0.4
133.02858	0.5
145.02853	100.0
146.03201	4.4
163.03912	20.2
164.04227	0.7
200.29750	0.2
259.09192	0.3
259.11801	0.3
269.21127	1.8
287.22263	8.3
288.22662	0.5
300.02618	0.3
304.61877	0.2
361.45233	0.3
415.24789	1.0
433.25934	36.6
434.26300	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	433.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58734	0.2
59.01237	1.4
60.76164	0.2
70.02149	0.9
76.17667	0.3
78.95766	0.4
93.03322	0.3
98.19900	0.3
99.08032	0.3
108.12003	0.2
115.91953	0.3
117.03341	16.5
118.03666	0.5
119.04910	26.5
120.05241	1.1
121.02831	2.4
121.04936	0.2
123.04417	0.4
130.03262	0.2
133.02831	0.4
140.38335	0.2
145.02846	100.0
146.03188	3.8
152.99503	0.5
163.03908	17.5
164.04218	0.7
179.05544	0.3
193.17502	0.2
195.70547	0.2
244.97533	0.4
256.03098	0.2
269.21243	1.6
270.21710	0.3
271.02457	0.5
287.22272	7.8
288.22568	0.8
300.02759	0.6
323.36331	0.3
415.24866	0.7
433.07910	0.6
433.25912	36.8
434.26224	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	433.2354
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
57.46091	0.4
59.01230	1.1
61.68024	0.3
66.01997	0.3
67.60934	0.3
69.22608	0.3
71.56233	0.4
78.95770	68.2
96.96838	5.7
96.97421	0.6
98.77302	0.3
103.65173	0.3
150.97964	1.6
152.99477	100.0
153.99838	1.4
171.00534	3.2
178.70935	0.3
271.02414	0.7
279.23138	1.5
287.04544	0.4
300.02789	1.2
301.03558	0.4
425.06284	0.4
433.07587	0.6
433.23584	11.5
434.23703	1.6
453.20660	0.3
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
53.69565	0.5
54.10031	0.5
57.03336	0.5
59.01250	100.0
60.01584	1.1
70.50620	0.5
71.01254	11.4
71.13850	1.0
72.99192	1.8
73.02834	1.6
83.01257	1.2
85.02827	3.2
87.00746	0.6
89.02316	7.7
93.03357	2.6
95.01225	0.7
99.00774	0.7
101.02317	8.6
107.01266	0.6
113.02325	4.0
119.03395	3.5
119.04920	1.0
122.03635	1.7
124.49615	0.5
125.02365	1.7
135.04483	0.7
137.02345	0.7
143.03345	0.6
151.00310	1.6
152.03444	15.8
152.04652	0.9
157.77039	0.5
159.02936	0.8
161.02338	0.7
161.04471	8.0
163.04007	0.8
165.05505	1.7
169.01300	0.5
179.05573	1.2
186.03256	1.2
193.05031	0.6
195.73405	0.5
227.03279	1.1
228.03955	0.8
229.04028	0.5
243.03036	1.1
244.97614	1.0
255.03021	3.2
255.05319	0.8
257.03717	0.7
270.09113	1.0
271.02457	4.3
271.05365	0.7
281.06967	1.0
284.03311	0.7
285.04041	1.3
286.04135	1.7
287.04785	1.6
300.02716	9.2
300.05621	0.7
301.03418	2.6
373.22299	25.5
374.22473	3.0
378.65109	0.5
418.36548	0.7
433.08334	4.4
433.15396	1.5
433.24380	0.8
434.10901	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	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15549	1.1
57.03320	6.8
59.01247	17.2
63.02260	1.2
65.00186	2.5
65.13972	1.2
69.03319	2.4
69.25635	1.3
69.25983	13.6
71.01252	20.7
72.99197	1.8
73.02820	5.5
75.00729	2.6
81.03313	2.1
83.01257	4.1
85.02834	7.3
89.02319	10.4
93.03352	2.5
95.01271	2.8
99.00732	2.1
101.02327	12.6
107.01267	3.5
107.04921	1.5
108.00816	1.1
109.02831	2.1
113.02328	9.1
119.03397	3.8
119.04905	18.6
121.02841	2.8
123.08049	1.8
125.02325	6.9
137.02313	1.6
137.09624	5.6
145.02786	2.9
149.02353	2.2
151.00270	11.9
151.11110	1.7
153.12756	3.4
155.27025	1.3
159.02846	2.3
161.04494	15.4
163.00275	2.0
163.03807	1.6
163.11154	2.2
165.01804	4.7
168.00586	3.3
169.01344	2.6
177.01822	5.6
177.12737	1.2
179.03389	1.2
179.05557	1.8
181.12277	2.0
187.03986	1.8
193.01364	8.7
195.13855	7.6
197.15399	7.6
207.13776	5.3
225.14908	100.0
226.15253	6.9
227.07045	1.9
271.03320	1.5
271.06186	12.1
283.28317	1.2
300.02756	1.6
301.03494	5.4
313.07199	28.0
313.10867	1.4
314.07419	4.2
343.08081	8.3
344.12476	1.5
359.14813	3.0
387.20215	26.1
433.11893	6.2
433.20493	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	433.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02293	0.7
57.03316	1.5
59.01247	3.3
63.02248	1.9
65.00184	6.9
69.03327	1.9
69.25426	6.5
69.25834	1.7
71.01257	4.5
72.99183	1.2
73.02824	1.4
75.00733	0.7
79.01767	1.0
81.03325	2.8
83.01257	5.7
85.02823	2.2
89.02328	1.8
93.03323	7.6
95.01258	2.1
95.04923	0.9
97.02815	4.4
101.02322	3.1
103.00246	0.9
105.03307	1.9
107.01270	8.5
107.04874	1.0
108.02063	0.7
109.02840	1.9
113.02333	2.9
117.03371	0.7
117.84095	0.7
119.04911	46.2
120.05263	2.6
121.02843	8.8
123.00768	1.8
123.04418	1.2
125.02335	17.6
133.02777	1.7
135.04411	1.3
136.01613	1.2
137.02348	4.4
137.09610	0.9
143.04897	4.2
145.02864	3.5
149.02338	6.8
151.00272	27.7
152.00642	0.8
153.12726	0.8
161.02353	1.5
161.04468	3.8
161.05952	2.0
163.00261	6.7
163.03941	2.0
164.01012	1.6
164.73508	0.8
165.01833	10.2
167.03426	4.0
169.01300	2.2
177.01822	3.4
178.99776	2.9
179.03365	2.7
185.05946	1.3
187.03879	4.9
191.03462	1.4
193.01343	28.6
194.01680	1.7
195.00056	0.7
195.13841	0.9
197.15443	1.6
199.07513	1.7
203.06993	0.9
205.01411	1.7
207.02899	2.5
218.89880	0.8
219.02919	3.2
223.02429	4.0
225.14915	23.0
226.15341	1.2
227.07111	2.2
229.05017	0.8
241.08653	1.1
269.08249	1.9
271.02646	1.7
271.06107	20.7
272.06479	0.9
283.06152	2.8
300.02777	4.9
301.03525	13.2
313.07166	100.0
314.07513	10.2
325.07382	1.9
343.08197	27.3
343.12326	1.5
344.08542	2.7
355.08185	2.0
359.14966	2.0
387.20340	1.5
415.10489	1.5
433.11755	17.3
433.20291	1.3
434.11908	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	1.0
59.01249	3.7
60.90760	0.7
63.02278	3.9
65.00194	13.3
71.01249	2.8
71.57507	0.7
72.99187	1.4
75.00768	2.0
81.03324	2.5
81.50518	0.7
83.01251	9.2
85.02807	1.2
87.00724	1.4
88.20251	0.9
89.02332	1.5
93.03336	9.1
95.01266	1.2
96.39467	0.7
97.02824	3.5
101.02301	1.5
105.73477	0.7
107.01270	22.0
109.02831	1.9
113.02341	1.6
117.03356	1.4
119.04913	68.3
120.05231	2.1
121.02840	4.9
123.00751	1.8
123.04395	1.4
125.02345	15.1
130.16823	0.7
131.07794	0.8
133.02838	3.0
135.00771	1.1
135.02887	7.6
135.04373	2.2
137.02310	3.6
143.04881	2.4
145.02869	7.1
149.02370	3.8
151.00270	67.1
152.00641	2.6
161.02374	7.1
161.05992	2.3
163.00249	3.7
163.03926	18.2
164.01044	1.0
164.04295	1.0
165.01855	12.3
167.03416	2.2
169.01343	10.7
173.37788	0.8
177.01837	8.9
179.03394	1.9
185.05919	3.8
187.03951	4.4
193.01361	14.3
194.01624	0.8
205.01349	1.3
207.02879	1.6
219.02945	1.9
223.02315	1.2
227.07112	4.9
229.05069	1.3
241.01430	0.8
243.02985	2.1
255.02902	2.8
256.03485	1.0
267.06601	1.0
271.02603	6.9
271.06104	100.0
272.03479	1.3
272.06430	7.9
281.06665	3.0
283.06131	1.3
286.03925	1.0
287.01501	0.9
287.04324	5.7
300.02695	10.3
301.03516	3.8
312.47101	0.8
313.07214	63.2
314.07465	5.7
325.07114	1.0
330.67563	0.9
343.08173	16.0
344.08472	1.5
415.09842	1.3
433.06393	1.3
433.11896	24.5
433.24002	1.1
434.11722	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.5
63.02259	4.1
64.03990	0.6
65.00195	8.1
66.54031	0.6
67.20123	0.7
69.24137	7.3
71.01257	1.9
72.99168	1.2
83.01263	5.4
83.24563	0.6
89.02316	1.0
93.03340	9.7
95.01245	1.2
101.02354	1.2
107.01268	15.5
108.02080	0.7
109.02784	1.0
113.02287	0.8
117.03344	1.0
119.04912	36.0
120.05270	1.0
121.02849	0.8
123.00729	1.4
124.01550	5.5
125.02316	5.1
133.02817	0.7
135.04387	2.1
139.00307	0.9
141.01883	1.1
145.02829	1.1
148.01535	0.7
149.02382	0.7
151.00270	51.1
152.01064	28.0
153.01553	1.4
155.56299	0.7
159.04422	0.8
161.02390	1.4
164.00957	1.0
165.01851	1.4
165.05492	0.9
169.00102	0.6
169.01346	4.0
175.00302	1.3
177.01817	5.7
178.99779	29.7
180.00168	1.5
185.05949	0.9
187.03914	1.0
193.01311	0.9
199.07376	0.6
201.05550	0.8
215.07066	0.9
227.03455	1.5
227.07114	1.0
243.02983	3.0
255.02942	6.6
256.03394	1.8
257.04684	1.2
259.06097	7.9
259.34924	0.6
269.04559	23.3
270.04910	2.2
271.02621	9.8
271.06100	100.0
272.03137	2.2
272.06448	6.9
283.02466	0.7
286.04718	4.1
287.05600	8.2
295.06122	1.5
300.02744	16.7
301.03348	6.5
311.05267	0.7
313.07187	1.3
319.69604	0.7
433.07217	10.1
433.11444	15.6
434.07278	1.4
434.11926	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0771
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
65.00204	1.0
69.31315	8.0
69.31725	2.0
84.86620	0.9
94.16738	0.9
98.19778	2.1
107.01227	2.0
108.02047	1.9
109.02863	1.0
121.02807	1.0
135.00749	1.3
148.01587	2.6
151.00293	7.3
163.00310	1.5
164.01015	1.4
178.48752	0.9
178.99744	2.9
196.35313	1.0
201.05464	1.0
211.03943	1.2
226.02589	2.3
227.03459	2.5
243.02975	13.7
254.02133	1.5
255.02933	27.1
256.03195	0.9
266.74982	0.9
271.02454	63.0
272.03009	3.5
287.04523	0.9
296.35443	0.9
298.04266	0.9
300.02725	100.0
301.03409	33.2
302.03738	1.5
433.07703	84.9
434.08176	11.1
444.09683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	2.1
59.14376	0.2
63.02268	3.2
65.00190	5.5
69.23877	0.8
69.24286	2.2
71.01233	0.8
80.02515	0.4
83.01257	5.0
89.02295	0.8
93.03334	7.8
95.01266	0.4
97.02748	0.3
101.02318	0.7
107.01263	13.3
108.02087	2.0
109.02832	0.4
113.02301	0.3
119.04911	26.3
120.05233	1.1
120.32793	0.3
121.02840	0.4
123.00758	0.4
125.02332	1.3
134.70856	0.3
135.78828	0.2
136.01534	2.1
143.04851	0.3
145.02815	0.8
151.00267	45.0
152.00587	1.7
161.04480	0.3
161.05948	0.4
163.14650	0.3
164.01045	3.9
165.01813	2.1
169.01329	2.7
176.49170	0.3
176.92406	0.3
177.01848	7.3
185.06007	0.4
187.03815	0.5
196.00105	1.0
227.07089	0.7
229.04953	0.3
243.02959	0.5
255.03011	0.9
271.06094	100.0
272.03354	0.4
272.06445	6.9
285.03860	0.4
287.04462	0.5
300.02750	4.2
301.03534	1.5
313.07211	0.5
361.00851	0.3
433.11572	23.0
434.11954	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	433.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61247	0.6
59.01253	1.5
62.44788	0.7
65.00188	2.0
69.70890	3.1
71.01247	1.0
72.99180	1.6
81.53754	0.7
83.01234	0.7
83.74104	0.7
89.02334	0.8
93.03313	2.8
93.41856	0.7
94.69342	0.7
95.01283	1.9
101.02313	0.9
107.01276	1.8
108.02052	1.7
109.02838	1.0
110.00005	0.9
111.00743	1.0
121.02793	1.3
123.00758	1.1
125.02322	1.4
133.02789	1.2
135.00752	0.8
136.98695	1.4
137.02345	2.3
139.00276	1.5
139.03871	0.7
143.04955	0.9
149.02339	1.5
151.00290	4.6
151.07529	1.2
152.01065	3.1
153.01830	0.9
161.02330	1.8
163.00253	2.2
163.03893	1.2
165.05461	1.7
165.99016	1.3
166.99788	1.6
171.04401	1.0
177.01836	2.4
178.99817	3.4
179.03384	0.7
180.00520	0.8
183.04456	1.9
187.03947	1.4
198.03166	0.9
199.03934	2.3
200.04814	0.9
201.05482	1.8
206.98955	0.7
211.03914	1.9
215.03459	2.0
216.04066	1.0
226.02693	1.2
227.03433	10.8
228.03844	0.7
229.05043	1.5
239.03484	1.6
243.02960	14.2
244.03598	1.5
254.02174	1.8
255.02948	37.9
255.04973	1.5
256.03448	4.6
257.04541	8.8
271.02460	43.4
272.03174	16.3
273.03857	2.4
282.01697	0.7
283.02454	7.5
284.03091	0.8
285.03918	0.8
299.01941	0.9
300.02725	71.9
301.03464	27.4
302.03818	1.4
313.05569	1.3
433.07690	100.0
434.07907	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	432.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47521	1.6
57.03318	12.5
59.01251	5.8
71.01254	4.4
71.34725	3.6
72.99182	1.8
81.03346	3.8
83.01257	4.8
84.04427	10.1
88.03915	30.2
89.02304	2.0
95.04910	4.7
97.02835	5.8
98.05980	2.7
103.00234	2.5
105.03336	1.7
109.02837	22.5
110.90061	1.6
118.04979	2.0
119.04966	2.6
121.02831	3.7
123.00754	2.3
123.04399	22.6
124.04839	2.0
125.02332	84.4
126.02663	4.1
130.04985	10.0
135.02914	2.0
135.04411	3.7
137.02336	13.2
145.02896	8.6
149.02310	5.6
150.03134	4.1
151.03911	21.6
159.04434	6.8
160.06076	59.3
160.07414	3.1
161.02332	5.9
161.06027	7.4
163.03885	5.2
164.01080	4.7
165.01828	6.9
165.05455	2.0
167.03400	2.5
169.01382	3.9
175.03929	3.9
175.07588	2.7
179.03400	5.2
182.49120	2.0
185.05977	5.2
187.03964	6.7
188.04692	3.9
199.07507	2.3
201.05495	3.1
203.03293	2.4
203.07071	16.6
205.05049	8.9
217.05179	2.6
220.06087	1.8
227.07045	2.8
230.05904	1.9
236.09190	4.1
243.02989	3.0
245.08159	19.9
246.08701	2.0
253.05084	9.4
271.06174	21.9
289.07184	100.0
290.07489	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	431.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38263	2.2
59.01251	65.2
64.40559	2.2
66.66861	3.1
70.22037	5.1
70.22427	4.3
78.95803	5.3
80.02600	2.3
81.23883	2.6
98.56174	2.2
117.03329	18.6
119.04916	29.9
121.02876	2.8
125.84710	2.6
145.02856	100.0
146.03204	3.2
152.99469	4.7
163.03920	17.3
227.03444	16.8
229.05060	3.8
255.02960	32.2
256.03473	4.6
257.04617	4.9
271.22736	18.9
272.23071	3.7
284.03207	29.0
285.04019	49.6
285.07132	4.1
285.20520	7.0
286.04428	4.3
313.23865	22.8
431.09763	26.5
431.24258	34.2
432.10007	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	432.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.0
66.31386	0.4
68.27149	0.4
69.43388	2.1
69.43822	1.9
75.00738	0.7
101.02343	0.5
103.00281	0.5
108.02046	11.5
125.02319	1.4
138.01863	100.0
139.02257	2.7
150.89214	0.5
151.00278	0.6
289.07330	0.7
296.06937	0.5
360.66037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	3.5
65.82648	0.4
70.28397	0.4
78.95750	0.5
89.55227	0.4
93.03307	0.5
97.97627	0.4
117.03346	16.2
117.04185	0.8
117.44814	0.4
118.03706	0.6
119.04913	27.2
120.05246	0.9
121.02822	1.5
123.04467	0.5
133.02867	0.6
134.43602	0.4
145.02852	100.0
146.03186	4.2
152.99518	0.5
161.04459	0.5
163.03912	18.2
164.04283	0.8
227.03435	3.8
229.04967	0.8
255.02953	5.8
256.03561	0.8
267.19553	2.0
284.03281	5.6
285.03979	9.5
285.20712	7.9
286.04449	1.0
286.21024	0.6
298.01624	0.4
413.23294	1.0
413.64929	0.4
431.10040	5.4
431.24353	28.2
432.10040	0.9
432.24707	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	431.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05951	0.2
57.45657	0.2
59.01244	2.5
59.57016	0.2
74.55643	0.3
78.95772	21.2
83.02293	0.2
85.02874	0.3
93.03336	0.5
96.96828	2.8
117.03346	15.2
118.03613	0.4
119.04910	27.3
120.05235	1.0
121.02842	1.4
123.04417	0.5
133.02835	0.5
134.03647	0.3
145.02847	100.0
146.03191	4.3
150.97878	0.6
152.99481	40.9
153.99828	0.5
163.03909	18.0
164.04230	0.9
169.48288	0.3
171.00526	1.6
196.38251	0.3
213.05600	0.3
227.03455	1.8
229.05026	0.4
229.32607	0.2
245.31537	0.2
255.02943	2.6
256.03372	0.3
267.19577	1.6
274.80002	0.3
277.21524	0.3
284.03302	3.3
285.03976	4.4
285.20694	7.6
286.04471	0.6
286.21008	0.6
408.91724	0.3
413.23483	0.5
431.10120	2.4
431.24411	25.5
432.24695	4.4
438.75919	0.3
459.12683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	1.1
62.96282	0.2
71.20171	0.4
71.20522	0.4
72.28460	0.2
73.08305	0.2
78.95772	70.1
85.64004	0.2
96.95898	0.3
96.96841	5.5
132.30200	0.2
150.97914	1.7
152.99483	100.0
153.99835	1.5
171.00563	2.6
217.89005	0.2
227.03477	1.6
229.05132	0.2
255.02968	2.1
256.03381	0.3
277.21677	1.2
284.03278	1.9
285.03986	3.3
286.04520	0.3
431.09790	1.8
431.22012	11.0
432.22217	1.3
443.44656	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Integrifoside C
Peak:m/z	Relative Intensity
52.72358	0.4
58.00455	1.4
59.01251	34.5
60.01575	0.5
60.12150	0.4
60.99171	0.8
69.03270	0.4
69.48965	0.4
71.01253	19.8
71.07055	1.0
71.42144	0.4
72.99175	1.8
73.02825	2.2
83.01241	1.7
85.02819	4.7
86.58479	0.4
87.00739	0.8
89.02317	15.5
95.01247	2.2
99.00761	1.0
101.02320	13.7
108.09856	0.4
113.02324	6.6
114.02680	0.4
119.03386	6.4
131.03363	0.6
143.03415	0.6
161.04468	1.3
163.00325	0.6
183.04588	0.4
185.05940	0.6
207.17491	1.8
211.03931	0.5
227.03474	8.7
228.03822	0.6
229.04985	1.9
231.42752	0.4
233.15437	4.7
234.15727	0.5
251.16473	4.1
252.16837	0.5
255.02954	13.0
256.03458	1.7
257.04626	1.1
260.94922	0.4
268.33481	0.5
269.17563	0.8
284.03262	11.0
285.04010	17.8
286.04312	1.5
413.21753	4.5
414.22574	0.6
431.10263	9.1
431.22818	100.0
432.10220	1.4
432.23181	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	431.1193
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
57.03322	75.0
58.03641	1.3
59.01246	18.9
69.03325	1.3
69.25306	2.2
69.25723	8.6
69.67169	1.2
70.17245	0.9
71.01245	9.6
72.99182	1.5
73.02806	2.8
75.00739	2.2
75.76736	0.9
81.03358	1.1
83.01254	2.8
85.02814	1.9
89.02311	1.7
97.02818	16.6
98.03199	1.2
98.20500	2.0
99.00726	1.1
99.04391	49.0
101.02318	15.9
101.46487	0.9
103.00239	3.4
108.02038	4.5
113.02311	2.8
117.05453	1.0
119.03426	1.1
121.02855	1.2
125.02330	100.0
126.02657	3.0
128.53448	1.0
138.01862	31.0
146.99257	1.9
151.00244	1.7
161.04443	6.4
169.01318	1.9
170.95963	1.0
179.03339	1.6
182.16862	0.9
192.64247	1.0
195.06551	1.9
203.05502	2.2
243.08522	1.1
255.73181	0.9
271.04343	0.9
378.33267	1.0
431.11285	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	431.22
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
59.01248	0.2
62.96265	0.3
65.05636	0.2
71.20204	0.4
78.78202	0.2
78.95772	53.5
96.96834	6.4
96.97490	0.2
108.40618	0.2
123.97376	0.2
141.57620	0.2
150.97896	1.8
152.99483	100.0
153.99815	1.3
164.66525	0.2
171.00551	4.1
222.10178	0.2
227.03421	0.4
229.05107	0.2
255.02827	0.7
277.21738	0.7
284.03162	0.7
285.03973	1.2
431.09683	0.6
431.21991	4.9
431.31015	0.3
432.22195	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23415	0.7
58.44153	0.8
59.01253	6.1
71.01259	2.9
71.23363	0.8
72.99168	3.0
73.02830	0.9
80.95204	0.7
85.02840	0.9
89.02316	4.1
93.03329	41.8
96.95879	0.8
98.83450	0.8
101.02318	2.6
103.00228	3.9
111.00761	1.8
113.02380	1.3
121.02824	2.2
123.00751	1.0
123.04442	0.8
124.01550	0.7
125.02325	2.9
135.04433	0.9
136.67303	0.9
137.02339	100.0
138.02681	3.6
146.99225	0.8
149.02345	1.3
149.04510	0.8
149.13742	0.7
151.03894	1.9
161.04440	1.3
168.00502	1.5
169.01331	1.0
179.03403	0.7
234.05956	0.7
275.14545	0.9
431.10440	1.0
431.15353	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	431.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	2.7
62.80663	0.3
63.02230	0.6
65.00164	0.4
69.43132	0.3
69.61604	1.2
69.62032	0.8
73.02765	0.3
83.01238	0.4
87.00717	0.3
89.00169	0.9
93.03326	1.7
107.01258	1.6
109.02789	0.6
110.12077	0.3
113.02258	0.4
116.53197	0.3
117.03310	0.4
121.02824	0.3
121.20107	0.3
125.02306	0.4
131.04836	0.4
132.02028	0.8
135.00708	1.2
137.02335	0.5
143.04860	1.0
144.67706	0.3
145.02817	0.3
145.06403	0.4
151.00270	1.8
151.03841	0.4
153.01740	0.4
154.04161	0.4
157.06444	0.5
159.04366	1.2
161.04445	0.4
163.00250	2.5
164.00984	0.4
165.01785	0.4
167.04875	0.6
169.06451	0.7
171.04405	0.6
177.05421	1.1
179.03337	0.7
183.04335	1.0
185.02371	0.5
185.05975	2.4
187.03891	2.7
189.05412	0.8
192.07820	0.4
194.05724	1.5
195.04385	0.6
196.05325	0.4
197.05923	0.8
199.03859	1.1
201.05377	0.4
205.12289	0.6
207.10228	1.9
209.08138	3.7
211.03915	2.2
213.05457	1.9
214.02606	0.4
215.03455	0.5
223.04001	0.4
227.03441	19.1
228.03777	1.3
229.04996	11.0
230.05269	0.7
239.03455	1.5
240.04192	1.1
241.04936	1.6
243.02914	0.5
251.09152	0.4
255.02954	35.7
256.03418	4.5
257.04529	6.2
258.04700	0.5
267.02979	0.6
269.10248	0.4
271.02374	0.7
283.02527	0.3
284.03244	40.5
285.04004	100.0
286.04355	8.3
298.01111	0.4
299.01907	0.4
425.31461	0.3
431.09894	18.5
432.10318	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.2
59.01238	1.1
63.02252	0.5
65.00185	0.3
76.31379	0.2
78.95760	0.2
89.02316	0.4
91.01733	0.4
93.03336	1.6
95.01211	0.2
101.02293	0.4
107.01266	2.1
109.02824	0.5
117.03336	0.6
123.00780	0.3
125.02337	0.4
132.02058	0.9
133.02678	0.2
135.00763	1.9
135.04485	0.3
141.07031	0.3
143.04903	0.9
145.02856	0.3
145.06439	0.3
151.00282	0.8
153.01839	0.6
154.04195	0.3
155.04919	0.3
156.05721	0.4
157.06512	0.7
159.04402	1.4
161.02394	0.3
161.04437	0.6
163.00288	2.4
164.00969	0.5
165.01811	0.7
167.04915	0.5
169.06491	0.7
171.04420	0.7
173.05997	0.2
179.10698	1.6
182.03680	0.2
183.04431	0.8
184.05150	0.3
185.02373	0.3
185.06006	2.3
187.03911	3.2
189.05478	1.0
190.99806	0.2
195.04459	1.0
196.05179	0.2
197.06004	1.1
199.03880	1.5
201.05530	0.5
205.12256	1.1
211.03911	2.6
212.04660	0.4
213.05473	1.8
214.02675	0.4
215.03403	0.3
223.03951	0.3
227.03435	24.5
228.03813	1.7
229.04990	10.5
230.05316	0.6
239.03456	2.0
240.04164	0.6
241.05019	1.6
243.03015	0.3
255.02953	43.4
256.03479	4.9
257.04504	6.5
258.04919	0.4
266.47543	0.2
267.03040	0.7
269.04623	0.3
271.02350	0.3
281.04501	0.2
283.02637	0.5
283.06094	0.8
284.03244	40.5
285.04001	100.0
286.04352	8.1
299.02036	0.5
311.05573	1.3
327.04779	0.2
341.06683	0.5
431.09802	21.8
432.10129	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01171	0.9
59.09029	0.3
63.02205	0.6
63.02514	0.4
65.00149	0.5
69.67577	2.2
74.47707	0.3
83.01199	0.5
89.00118	1.4
91.01685	0.6
93.03239	1.9
93.03796	0.6
97.06375	0.3
107.01279	2.8
108.92433	0.4
109.02742	1.1
117.03277	0.8
119.01209	0.3
131.04904	0.5
132.01967	1.3
135.00665	1.4
141.06990	0.4
143.04924	1.8
143.05824	0.4
145.02745	1.5
151.00270	1.6
151.01213	0.3
153.01741	0.5
155.04913	0.4
156.05585	0.4
157.06386	1.0
159.04453	1.8
162.99130	0.3
163.00290	3.3
164.00972	0.8
167.04845	0.5
169.06447	0.9
171.04329	1.2
173.02292	0.4
173.05949	0.5
182.03625	0.6
183.04352	1.3
185.05991	3.1
187.03952	4.1
189.05386	1.1
195.04370	0.5
196.05153	0.4
197.05908	1.2
198.03033	0.5
199.03859	1.8
200.04747	0.4
201.05486	0.6
211.03993	2.5
212.04434	0.5
213.05435	1.8
214.02577	0.8
215.03398	0.6
227.03447	37.3
228.03801	2.9
229.05032	13.0
230.05243	0.7
239.03481	1.9
240.04178	1.2
241.01384	3.3
241.04999	1.6
242.02089	1.4
243.02946	1.3
245.00795	1.3
255.02971	55.5
256.03491	7.5
257.04526	5.7
258.05066	0.5
267.02975	1.4
270.01627	2.3
271.02429	3.7
283.02484	0.5
284.03259	43.6
285.04025	100.0
286.04388	8.3
298.01227	1.0
299.01971	5.2
301.03580	0.7
431.10077	26.7
432.10818	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	431.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	2.9
63.02240	1.1
65.00183	0.7
69.54499	1.6
69.54910	0.5
72.99156	0.9
73.26872	0.3
83.01256	0.7
89.02270	0.5
91.01738	0.3
93.03349	1.8
98.19810	0.3
101.02305	0.4
107.01256	3.5
107.04907	0.3
108.02065	0.3
109.02810	0.9
113.02319	0.4
121.02811	0.3
123.00733	0.9
123.04312	0.3
125.02344	0.5
131.04884	0.8
132.02063	0.8
135.00752	1.2
135.11284	0.3
137.02362	0.7
143.04910	0.9
147.00845	0.3
148.45883	0.3
149.02327	0.6
149.05940	0.4
151.00269	3.8
153.01869	0.6
157.06503	0.5
159.04399	0.9
161.04384	0.4
163.00296	2.7
163.03929	0.3
164.01155	0.5
165.01753	0.5
165.05499	0.6
167.04922	0.3
169.01320	1.1
169.06531	0.9
171.04396	0.7
175.04048	0.3
183.04416	1.0
184.05061	0.5
185.05989	2.3
187.03944	2.2
189.05473	0.7
195.04384	0.7
197.06030	0.6
198.03052	0.3
199.03943	1.3
200.04590	0.4
201.05461	0.8
211.03908	2.6
213.05487	1.3
215.03465	0.3
217.33954	0.3
223.04089	0.4
223.96597	0.3
227.03445	24.1
228.03871	1.7
229.05026	9.9
230.05351	0.8
239.03453	1.4
240.04263	0.9
241.01324	0.4
241.04980	1.3
243.03059	0.4
255.02957	39.9
256.03488	5.2
257.04517	6.0
267.02884	1.1
281.06543	0.5
283.02423	1.2
284.03238	50.0
285.04013	100.0
286.04379	8.8
299.01932	0.5
327.04953	0.4
431.09851	26.8
431.15250	1.9
432.10089	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Kaempferide 3-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
51.52258	0.5
53.20208	0.6
53.99064	0.7
59.01273	0.7
70.89539	1.4
72.99178	13.5
93.03326	1.8
106.04126	1.1
107.01224	0.8
107.04919	0.7
121.02831	0.9
132.02046	5.2
135.04373	1.0
157.57481	0.7
160.00214	1.5
160.01563	29.9
161.02368	7.8
165.01822	0.7
165.05492	2.4
175.03914	58.9
176.04233	3.1
179.03461	1.7
181.05057	0.8
193.04990	2.4
211.06013	1.9
227.03529	4.2
241.05011	30.3
242.05344	2.4
255.02937	5.2
255.05170	2.2
269.04535	46.4
270.05170	6.5
284.03284	6.6
285.04034	8.7
286.04315	0.7
291.34595	0.6
293.32565	0.8
298.04819	41.6
299.05441	10.6
300.05722	0.7
341.10211	4.9
355.08270	2.0
413.76422	0.7
431.09799	100.0
432.10205	13.0
432.39526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59134	1.1
54.55062	1.2
55.09760	0.8
56.34460	1.0
59.01249	100.0
59.58134	0.9
60.01596	1.1
69.97031	4.0
71.01234	1.0
72.12213	1.1
89.02322	1.5
91.03892	2.5
96.95901	1.0
110.43607	1.0
120.34667	1.1
130.11040	0.9
136.02441	0.9
150.85413	1.0
152.99478	1.4
165.75137	1.1
170.38818	1.1
295.22760	11.6
296.23138	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0977
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
61.15443	0.2
63.02254	0.2
67.40446	0.3
69.97691	1.3
81.57928	0.2
82.81451	0.2
91.01739	0.3
93.03325	0.9
107.01266	1.2
109.02824	0.5
117.03356	0.3
123.24242	0.2
130.04192	0.3
132.02106	0.5
135.00772	1.1
143.04942	0.3
151.00240	1.0
157.06458	0.3
159.04356	0.5
163.00244	1.0
164.00977	0.4
169.06557	0.4
171.04433	0.5
178.99789	0.6
182.03619	0.4
183.04430	1.2
185.02344	0.4
185.05954	1.2
187.03886	1.7
189.05560	0.4
197.05991	0.4
197.14908	0.3
199.03885	0.4
211.03946	1.7
212.04581	0.3
213.01785	0.4
213.05472	0.6
227.03435	29.0
228.03772	1.7
229.05005	4.9
230.05342	0.4
239.03438	0.8
241.04987	0.5
255.02948	38.1
256.03516	5.0
257.04495	3.6
283.02386	0.3
284.03241	48.6
285.04001	100.0
286.04407	6.4
299.05728	0.4
327.05005	1.0
431.09775	86.2
432.10126	8.6
432.14557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0826
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
50.67457	0.7
56.43860	0.7
57.03310	3.6
59.01246	2.9
59.61977	0.6
59.80874	0.7
63.02257	3.7
64.99946	0.7
65.00201	8.4
70.08954	3.7
71.01249	1.3
81.43204	0.7
83.01257	5.7
85.02822	3.8
89.02307	2.0
95.01256	1.1
101.02280	0.8
107.01261	11.3
109.02824	1.3
117.03370	0.8
124.01555	1.8
125.02339	9.9
131.04900	3.5
133.02829	2.6
135.00706	0.9
137.02295	0.8
143.04958	1.1
145.02841	5.8
147.04453	2.0
151.00273	33.0
152.01022	3.8
153.01764	1.2
157.06505	1.2
159.03099	0.8
159.04427	3.5
161.02377	4.9
161.97147	0.8
163.00310	2.6
164.01138	0.8
167.04948	1.3
169.01331	3.0
169.02766	1.0
169.06526	1.9
169.40546	0.9
171.04393	2.1
173.02310	2.2
175.03914	3.2
177.01753	1.2
178.99788	15.2
181.06538	2.2
183.04440	3.7
185.02390	1.7
185.05988	2.0
187.00298	0.8
187.03888	4.6
189.01875	1.1
193.06552	1.2
195.04398	1.9
197.06096	2.8
199.03944	1.4
201.01871	1.4
201.05449	1.0
207.04472	1.7
209.06009	4.7
211.03949	6.3
213.01837	1.1
213.05565	2.7
214.02655	0.9
215.03473	2.1
217.19363	0.8
219.04424	1.0
223.03955	1.4
224.04619	0.9
225.05476	7.0
227.03412	9.7
228.03751	1.1
229.05029	3.5
235.04012	6.6
236.04587	1.1
237.05501	4.2
239.03438	2.3
240.04227	1.2
241.04990	1.4
245.04507	1.3
251.03447	2.9
253.05066	12.1
254.05270	1.3
255.02965	1.3
257.04678	1.2
263.03464	2.0
264.04083	1.3
266.60541	0.9
267.03168	1.1
269.04535	9.3
277.05197	0.9
279.02963	12.8
280.03632	3.8
281.04544	41.4
282.04916	3.2
283.02618	1.0
283.06219	1.2
285.03992	3.2
293.04700	1.7
295.02408	6.9
296.03244	13.9
297.04016	36.3
298.04349	2.8
299.05612	3.0
307.02454	1.6
308.03369	1.1
309.03946	3.0
311.01981	14.3
312.02414	1.9
313.03564	1.2
324.02966	1.3
325.03503	91.5
326.03836	8.0
337.03528	0.9
339.05035	8.3
355.04526	1.7
357.06219	2.3
367.04544	1.7
377.30640	0.8
411.07269	1.3
429.08243	100.0
430.08655	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0824
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
56.82063	0.5
59.01249	7.0
69.71203	2.5
69.71614	0.8
89.02263	0.7
93.03335	0.6
93.90491	0.5
101.02314	0.9
107.01236	0.6
119.03423	0.5
121.03690	0.5
125.02293	0.8
133.21591	0.5
151.00252	2.0
163.00270	1.2
168.21230	0.5
169.06615	0.5
171.04446	0.5
174.03137	0.6
178.99800	1.0
183.04427	1.9
183.06314	0.5
185.05948	0.9
187.03957	1.1
204.84868	0.5
211.03935	1.7
227.03441	79.6
228.03835	4.6
229.05025	1.7
241.04956	0.6
255.02954	97.1
256.03519	12.0
257.04395	2.2
277.03540	0.5
281.00882	0.5
282.05212	0.6
284.03244	76.7
285.03989	50.2
286.04382	3.3
296.44376	0.5
312.18692	0.6
325.03598	0.5
327.05008	1.0
429.08231	100.0
430.08597	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	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71813	0.4
59.01249	100.0
60.01593	0.8
69.25763	5.2
102.07475	0.5
111.75772	0.5
121.02840	41.2
122.03200	1.4
427.10422	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21168	1.3
51.14285	1.1
55.47412	1.1
55.55108	1.0
59.01250	100.0
60.01579	1.7
78.95772	1.4
91.03866	3.3
115.72063	1.1
118.59574	1.0
122.23546	1.1
166.87773	1.2
178.45758	1.0
293.21265	12.1
443.74844	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2848
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
51.73347	0.4
56.47765	0.3
59.01226	0.7
71.56689	0.4
74.33111	0.3
74.80360	0.3
81.03331	1.2
122.03622	11.2
135.04407	6.3
136.05188	0.7
139.65695	0.4
149.05980	1.5
154.02597	0.5
163.07513	1.0
177.09203	1.0
179.37915	0.3
181.58022	0.3
191.10643	0.6
204.88220	0.3
205.12207	0.6
233.15463	0.6
247.17046	0.4
315.23294	1.0
325.21753	0.4
327.23157	0.4
341.24838	0.7
357.27957	6.1
358.28125	0.6
367.26587	1.8
381.28003	0.4
383.29507	7.3
384.29904	1.2
385.27515	3.2
427.28482	100.0
428.28809	16.4
428.34717	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	2.5
59.03225	1.2
62.62817	1.1
67.05405	2.1
71.04895	10.6
71.56799	1.2
80.04929	1.2
106.16088	1.1
114.09148	1.8
114.41315	1.1
118.51713	1.1
124.76612	1.3
130.08615	14.8
186.14966	6.2
194.11745	1.6
210.18625	1.4
230.13939	100.0
231.14264	4.6
267.67697	1.3
375.83154	1.1
417.55911	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	425.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80679	0.3
59.01234	1.3
63.50547	0.3
71.01247	0.6
71.58398	0.5
72.99149	0.4
73.76242	0.3
79.95599	12.0
80.96374	4.1
96.95855	0.4
100.05217	0.3
109.02850	0.4
117.03300	0.4
123.04424	0.6
125.02285	0.5
134.03667	0.4
135.04404	36.3
136.04727	1.4
137.02290	0.4
145.02887	1.4
151.03937	0.5
201.99261	0.4
215.00137	100.0
216.00470	4.5
224.98589	0.7
225.99315	2.3
269.08167	0.3
277.03351	0.4
297.07593	2.3
333.88446	0.4
349.03766	0.9
377.03360	5.1
378.03778	0.4
392.05618	0.7
393.05322	0.3
407.08069	2.3
408.08810	0.4
425.09131	24.1
425.18069	0.7
426.09274	2.6
426.14203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90615	0.8
57.03314	2.9
71.01293	0.8
71.58401	1.1
72.99185	1.2
81.03325	1.7
83.01260	2.7
93.03339	1.0
95.04918	2.1
97.02832	2.3
103.00273	0.8
108.02074	0.8
109.02833	74.6
110.03189	1.5
121.02852	1.6
123.04402	8.0
125.02327	21.1
135.04460	1.2
137.02347	10.0
139.03925	3.2
145.02837	3.8
146.03622	1.0
149.02338	3.2
151.03909	5.4
153.01843	100.0
154.02191	2.8
159.04439	1.4
161.05992	3.1
162.03194	1.1
164.01036	1.6
165.01901	4.0
165.05536	1.5
175.07423	1.1
177.01804	1.0
179.03430	3.6
185.06007	1.1
187.03947	3.5
188.04692	1.9
197.30316	0.8
202.06308	1.3
203.07085	8.3
205.05014	4.4
221.08151	1.9
227.07222	1.7
245.08157	9.7
245.72069	1.0
271.06046	6.7
289.07172	58.8
290.07529	5.0
355.61057	1.0
425.08548	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	423.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39482	0.5
55.01760	4.9
57.03317	3.4
58.00467	1.3
59.01249	32.7
64.14040	0.5
67.01764	0.5
69.03323	1.3
71.01250	60.5
71.58532	0.6
72.01578	1.1
72.99186	3.6
73.02817	31.6
75.00748	2.1
75.20165	0.4
75.66520	0.5
78.95758	0.6
80.77814	0.5
82.16232	0.4
83.01250	13.5
85.02818	31.0
85.99960	1.9
87.00743	4.3
89.02317	11.5
93.03358	0.8
93.75756	0.5
95.01253	4.5
96.90009	0.4
96.95896	0.5
97.02837	3.4
99.00755	11.8
99.04427	0.5
101.02318	62.7
102.02675	1.2
102.58841	0.4
107.04895	2.2
111.00734	1.8
111.46959	0.5
113.02324	23.0
114.02662	0.6
115.03909	1.6
119.03367	0.7
119.04980	0.5
119.52602	0.4
125.02338	4.5
126.70957	0.6
127.11161	1.6
129.01826	1.9
131.03371	4.0
139.00230	0.9
143.03391	3.4
145.02834	1.2
149.04453	1.9
149.06027	0.5
159.02895	5.0
161.04462	23.1
162.04829	0.6
163.03845	0.5
165.05472	1.3
169.69731	0.5
186.19562	0.5
191.05490	0.8
199.13336	0.5
205.03400	1.5
215.05489	0.5
233.06660	3.9
277.03156	0.5
291.18115	100.0
292.18488	6.9
293.08777	1.3
333.18967	0.5
335.17072	0.7
338.27029	0.4
423.22308	91.6
424.22708	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	423.179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67068	6.0
59.01234	15.9
59.65936	7.0
68.67611	6.3
69.26566	28.3
69.26994	37.1
72.99187	16.9
81.30536	6.2
82.33786	5.6
95.45387	6.4
103.00241	25.2
123.04385	6.6
191.03424	7.0
233.47665	6.7
300.55060	6.5
337.71417	7.7
349.92578	7.9
406.11383	9.8
423.18008	100.0
424.12457	29.8
424.17819	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	423.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	7.6
57.03316	5.1
58.00469	1.3
59.01247	43.8
68.58456	0.8
69.03335	2.4
70.12852	0.8
71.01250	65.9
71.58324	1.0
72.01572	1.6
72.99174	19.4
73.02815	36.8
75.00740	3.0
78.21435	0.7
78.85248	0.7
79.96179	0.7
81.03327	1.3
83.01255	14.5
85.02818	35.6
85.99966	2.2
86.03113	0.9
87.00723	3.9
89.02307	15.7
93.03328	1.6
95.01246	4.7
97.02822	4.6
99.00756	13.9
101.02317	73.3
101.29855	0.8
101.59917	0.8
102.02656	1.3
103.29155	0.9
103.45242	0.8
107.04907	40.7
108.05231	1.2
111.00744	3.9
113.02324	25.6
115.03914	1.8
119.04917	1.5
123.00802	0.8
123.04419	2.4
125.02349	5.3
127.11285	1.0
129.01836	2.4
131.03397	3.6
131.04948	1.1
133.02852	2.7
135.04427	6.5
143.03401	4.4
147.04454	1.0
149.04550	1.7
149.05983	6.5
159.02876	4.7
161.04456	22.9
165.05464	17.7
166.05644	0.9
193.05013	1.2
199.13275	0.8
202.99561	0.8
205.03426	1.3
207.70712	0.9
230.38370	0.8
233.06622	3.8
255.14000	0.9
291.18121	100.0
292.18491	7.6
293.09064	1.5
333.17157	2.1
335.17227	1.4
347.14954	1.1
361.16437	1.9
363.24432	0.9
423.16556	25.7
423.22366	86.1
424.16962	4.2
424.22726	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	423.093
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
50.41902	0.4
59.01236	0.5
67.01743	0.8
68.99660	0.5
69.03288	0.5
70.33603	0.9
70.33998	0.9
71.01250	3.2
72.19740	0.4
72.99185	1.1
73.02799	0.8
79.01764	0.6
82.09338	0.4
83.01263	0.8
85.02809	1.8
87.00729	0.5
95.01273	2.1
97.02819	0.8
101.02326	1.6
107.01266	5.1
108.02051	4.3
109.02831	14.0
110.16087	0.4
111.00766	1.9
113.02322	1.8
114.75363	0.4
121.02816	0.6
121.22394	0.4
122.99898	0.8
123.00762	10.5
123.04375	0.8
124.01566	1.0
125.02335	24.2
126.02657	1.1
127.00278	0.8
136.98698	1.2
139.00247	4.1
140.01048	2.9
141.01820	2.1
151.00261	8.2
153.01816	0.7
154.99776	0.4
165.05496	1.1
166.99731	1.0
168.00523	3.2
169.01328	29.8
170.01663	0.9
179.03337	0.4
181.04932	0.4
185.00806	0.6
191.03482	0.7
226.94423	0.4
244.41432	0.4
253.03465	0.8
255.05000	2.8
271.04639	0.9
297.06186	0.8
307.44528	0.4
313.05664	6.9
314.06174	0.6
405.04428	0.5
423.09293	100.0
424.09647	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	423.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	15.4
63.68911	1.0
67.61726	1.0
69.69724	7.5
72.99162	13.4
75.00726	1.3
78.95757	1.3
88.43554	1.0
93.03316	2.0
103.00243	96.4
104.00573	1.1
107.04914	1.3
109.02808	1.5
111.00780	1.5
125.02291	3.0
135.04362	1.2
137.05916	1.0
143.04871	1.2
145.02777	1.4
146.03604	1.7
146.99220	2.1
147.04366	3.1
151.00194	1.3
159.04370	3.1
161.02303	1.3
165.05586	1.8
169.01334	1.9
169.02776	1.6
171.04413	2.0
173.02382	1.0
173.05971	2.3
174.03090	3.7
175.03955	5.2
183.04453	6.8
185.05972	4.4
187.03909	5.3
188.04651	2.1
189.05409	1.5
190.02496	2.0
191.03418	2.3
197.02357	9.7
198.03040	3.0
199.03853	5.3
201.05438	4.5
202.02423	1.3
203.03287	3.0
204.04286	6.2
211.03957	11.0
212.04475	1.6
213.05521	3.3
214.02654	16.1
215.03435	100.0
216.03795	7.4
217.04985	4.2
226.02618	1.3
227.03427	8.9
228.04025	1.9
229.05014	6.1
230.02126	2.3
231.02820	3.8
231.06456	3.4
232.03647	1.2
233.04514	7.5
239.03400	3.3
241.04979	1.9
243.02893	7.1
244.03694	2.4
245.04532	6.6
246.05031	1.7
247.02289	1.7
247.06029	5.6
255.02872	6.1
255.05093	3.0
256.03534	1.5
257.04474	5.8
259.06021	1.9
261.03888	4.2
263.05518	2.8
267.02838	2.7
269.04556	3.4
271.06046	1.4
273.03970	4.5
275.05585	73.0
276.05905	6.2
283.02420	2.9
285.04050	6.6
287.05493	4.1
289.07016	2.1
299.01886	9.2
299.05328	2.6
305.06326	1.6
315.05017	14.4
317.02927	2.3
317.06561	6.5
329.02914	5.6
330.03827	1.8
333.06177	14.7
343.04449	4.8
343.19882	1.3
347.03882	2.8
349.05478	2.2
361.05499	6.2
423.05545	74.2
424.05914	7.7
424.11404	1.6
434.07950	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39381	1.2
51.70374	1.4
57.19910	1.4
58.00451	2.1
65.16766	1.3
67.01756	2.7
69.69498	2.5
69.69904	7.2
70.72646	1.3
72.99171	20.1
93.03322	6.2
98.20513	2.8
104.50333	1.4
107.04900	7.3
109.02798	6.2
111.00750	13.1
121.02831	2.2
123.00761	9.5
123.04375	9.4
125.02323	1.8
131.04869	2.3
133.02826	1.4
135.04404	5.0
139.00255	18.2
147.04465	2.2
149.05934	3.1
151.00307	3.6
153.29094	1.6
155.33844	1.3
156.50743	1.6
163.03929	5.9
165.05479	25.9
166.99750	32.1
179.03435	7.5
181.05013	6.6
185.00813	24.6
185.05959	1.9
193.04906	4.3
209.04529	1.7
213.05548	2.3
243.34911	1.3
255.05049	100.0
256.05420	4.9
271.04568	12.0
315.04913	1.7
333.06116	4.1
404.46500	1.8
405.04578	20.5
423.05676	21.9
445.76160	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	3.4
68.99689	1.3
69.03326	1.4
69.54667	7.2
71.01268	1.3
72.98779	1.2
72.99181	13.7
75.00135	1.1
75.00774	0.9
75.67176	1.0
87.00755	2.4
93.03342	1.9
95.01268	3.0
96.95893	1.2
97.02829	2.1
101.03832	1.6
103.00252	7.8
107.04900	1.9
109.02853	2.0
111.00748	3.5
113.02276	1.4
117.03397	1.4
119.04912	1.4
121.02839	4.1
123.00774	11.8
123.04443	4.8
124.01487	1.5
125.02332	100.0
126.02660	3.4
133.02847	1.6
135.04416	4.6
139.00276	8.3
140.01048	1.8
141.01828	90.8
142.02156	1.7
143.04919	1.0
145.02879	2.0
147.04431	3.0
149.02315	8.8
149.05994	1.2
150.03072	2.4
151.00279	2.1
151.03894	1.1
161.02307	3.6
163.03918	5.3
165.05467	7.2
166.99770	21.8
169.01280	2.3
175.03906	1.5
177.01741	1.0
179.03409	3.2
181.04958	1.9
185.00836	5.9
185.06114	1.5
187.04005	1.2
189.01863	5.7
191.03432	4.7
193.04942	2.0
195.06496	1.7
201.01939	1.0
205.01303	3.2
207.02908	9.6
209.04446	7.7
213.05469	3.4
217.01369	3.7
219.02919	1.2
221.00847	1.7
225.03989	1.0
237.03941	2.1
241.03336	1.4
255.05064	6.2
257.04541	7.8
258.05112	1.1
259.02316	1.7
259.06006	2.4
261.03964	2.2
273.04013	1.3
275.05536	2.5
285.04108	1.3
287.05634	1.8
299.05725	1.6
315.05032	7.2
317.06580	4.1
325.03589	1.3
331.04495	3.9
333.06113	33.1
334.06445	2.3
343.04535	3.6
347.04135	13.2
348.03995	1.6
349.05423	5.4
361.05759	2.6
379.06799	1.2
405.04596	19.6
406.05026	2.8
406.11270	1.8
423.05634	91.9
424.06223	8.8
424.12030	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	421.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07442	3.1
57.03324	4.1
59.00963	3.9
59.01246	30.2
64.56862	3.3
65.00183	4.1
65.20745	3.2
68.99705	3.7
71.01258	12.3
71.06664	7.6
72.99175	55.8
75.00733	5.2
89.02332	10.1
93.03341	11.5
95.01238	5.1
96.99202	6.2
101.02313	5.5
103.00249	6.8
106.04146	3.3
107.04920	15.2
108.02052	11.0
109.02877	5.8
111.00789	3.7
113.02354	5.1
119.04922	4.5
123.00743	33.6
123.04391	4.7
125.02314	5.2
135.04422	10.0
137.02335	5.5
139.00253	12.4
141.01830	5.1
144.10925	3.4
147.04410	4.1
149.02397	5.2
149.05869	4.7
150.03111	8.7
151.00270	36.2
158.94559	3.1
163.03941	4.2
164.04756	17.3
165.01941	4.8
165.05441	38.9
165.87428	3.7
175.03952	3.3
192.04185	6.6
193.04895	4.9
195.06610	8.4
225.07634	3.6
231.02818	3.6
255.04953	6.6
258.05341	48.6
259.02933	3.1
259.05783	4.3
273.07822	5.6
300.06326	15.3
301.06982	5.3
315.08661	4.6
316.05795	27.2
317.06580	24.0
331.08243	45.1
332.08392	5.7
345.06226	12.6
421.07590	100.0
421.16049	21.3
422.08215	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	421.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07442	3.1
57.03324	4.1
59.00963	3.9
59.01246	30.2
64.56862	3.3
65.00183	4.1
65.20745	3.2
68.99705	3.7
71.01258	12.3
71.06664	7.6
72.99175	55.8
75.00733	5.2
89.02332	10.1
93.03341	11.5
95.01238	5.1
96.99202	6.2
101.02313	5.5
103.00249	6.8
106.04146	3.3
107.04920	15.2
108.02052	11.0
109.02877	5.8
111.00789	3.7
113.02354	5.1
119.04922	4.5
123.00743	33.6
123.04391	4.7
125.02314	5.2
135.04422	10.0
137.02335	5.5
139.00253	12.4
141.01830	5.1
144.10925	3.4
147.04410	4.1
149.02397	5.2
149.05869	4.7
150.03111	8.7
151.00270	36.2
158.94559	3.1
163.03941	4.2
164.04756	17.3
165.01941	4.8
165.05441	38.9
165.87428	3.7
175.03952	3.3
192.04185	6.6
193.04895	4.9
195.06610	8.4
225.07634	3.6
231.02818	3.6
255.04953	6.6
258.05341	48.6
259.02933	3.1
259.05783	4.3
273.07822	5.6
300.06326	15.3
301.06982	5.3
315.08661	4.6
316.05795	27.2
317.06580	24.0
331.08243	45.1
332.08392	5.7
345.06226	12.6
421.07590	100.0
421.16049	21.3
422.08215	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	421.1503
Annotation	Piptocarphin A
Peak:m/z	Relative Intensity
51.19755	1.1
51.33164	1.0
55.91955	1.0
59.01250	7.4
61.94442	1.3
69.03321	0.9
71.01236	2.8
71.04884	1.8
71.34544	1.1
71.34867	1.7
72.96465	1.1
72.99178	39.3
75.00751	2.6
85.93071	1.2
86.83101	1.2
87.00765	1.3
93.03329	23.2
99.00740	3.5
106.04196	1.6
107.04901	100.0
108.05226	2.4
112.36974	1.3
119.04917	2.1
121.02822	1.9
121.89259	1.1
123.04359	5.8
131.04903	3.6
133.02856	6.5
134.03654	1.8
135.04411	19.5
147.04454	1.4
149.05969	14.0
155.96104	1.4
163.03937	2.3
165.05475	54.1
166.05771	2.7
179.03355	2.0
181.04996	3.0
193.05011	10.9
195.06438	1.3
211.05980	2.6
221.08162	13.7
223.09389	0.9
257.78223	1.1
258.53366	1.3
345.13373	5.3
359.14938	3.6
361.29718	1.4
421.15005	89.4
422.15305	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	421.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07442	3.1
57.03324	4.1
59.00963	3.9
59.01246	30.2
64.56862	3.3
65.00183	4.1
65.20745	3.2
68.99705	3.7
71.01258	12.3
71.06664	7.6
72.99175	55.8
75.00733	5.2
89.02332	10.1
93.03341	11.5
95.01238	5.1
96.99202	6.2
101.02313	5.5
103.00249	6.8
106.04146	3.3
107.04920	15.2
108.02052	11.0
109.02877	5.8
111.00789	3.7
113.02354	5.1
119.04922	4.5
123.00743	33.6
123.04391	4.7
125.02314	5.2
135.04422	10.0
137.02335	5.5
139.00253	12.4
141.01830	5.1
144.10925	3.4
147.04410	4.1
149.02397	5.2
149.05869	4.7
150.03111	8.7
151.00270	36.2
158.94559	3.1
163.03941	4.2
164.04756	17.3
165.01941	4.8
165.05441	38.9
165.87428	3.7
175.03952	3.3
192.04185	6.6
193.04895	4.9
195.06610	8.4
225.07634	3.6
231.02818	3.6
255.04953	6.6
258.05341	48.6
259.02933	3.1
259.05783	4.3
273.07822	5.6
300.06326	15.3
301.06982	5.3
315.08661	4.6
316.05795	27.2
317.06580	24.0
331.08243	45.1
332.08392	5.7
345.06226	12.6
421.07590	100.0
421.16049	21.3
422.08215	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	421.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66651	1.1
53.48634	1.2
58.62436	1.1
59.01244	9.5
59.66953	1.1
62.52542	1.2
71.01241	2.8
72.64446	1.1
72.99178	68.8
75.00739	5.5
87.00800	2.6
91.05408	4.3
92.05801	1.2
93.03330	26.0
95.04866	1.4
98.19744	2.7
99.00750	4.7
102.72768	1.2
103.00195	1.5
105.03346	3.2
106.04118	5.5
107.04903	71.8
108.02069	1.7
108.05284	2.0
109.02827	1.9
117.03362	1.6
119.04922	13.3
121.02843	4.2
121.06458	2.6
123.04392	6.4
131.04921	3.1
133.02863	6.9
134.03627	4.3
135.04405	46.3
137.05959	2.7
147.04411	9.9
149.02296	2.1
149.05968	13.1
150.03198	1.7
163.03867	5.6
165.05475	100.0
165.59016	1.3
166.05826	4.7
167.03436	1.4
167.06947	1.5
175.03931	1.4
179.03406	15.7
179.54138	1.1
181.04965	4.6
192.04181	1.7
193.04976	20.6
209.04504	1.5
211.04106	1.7
211.06085	5.2
255.05070	34.0
256.05371	2.0
261.90320	1.3
299.81546	1.2
345.09763	3.7
421.11386	84.3
421.16098	5.0
422.11865	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	419.301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.5
59.01248	100.0
65.03827	2.5
69.71790	6.7
71.01257	6.4
72.99180	13.0
74.99594	1.3
75.00769	0.8
78.95765	0.9
83.01265	1.2
85.02814	2.1
87.00739	2.1
89.02318	3.3
91.86679	1.0
93.03347	5.2
93.06968	3.9
98.19814	1.9
100.46322	0.9
101.02312	4.1
103.00239	3.7
106.04140	2.5
107.04905	14.4
108.02065	1.2
108.05294	1.7
109.02808	4.3
113.02331	2.5
117.03345	4.8
119.03395	1.1
119.04939	2.6
121.02811	5.9
123.04385	3.1
125.02342	1.9
133.02885	6.3
134.03171	1.6
135.04405	4.2
137.02370	1.1
143.10658	2.0
145.02852	31.1
146.03185	2.6
146.99312	1.1
149.05980	2.2
150.03157	2.2
151.00314	1.3
151.03911	57.3
152.04193	2.9
153.01842	1.7
161.02333	13.7
161.04462	2.2
161.75304	0.9
162.02695	8.7
163.02727	5.6
163.03951	3.7
165.05490	6.8
166.05779	1.9
179.03438	1.7
179.05568	0.9
180.95503	0.9
193.04945	1.9
211.07628	0.9
213.09143	8.6
229.18022	13.4
255.05017	3.2
256.05338	1.1
257.05707	1.5
257.08142	30.7
258.08539	2.8
299.25919	1.0
311.09198	1.4
329.09650	3.2
329.13818	1.6
359.28003	13.3
369.16476	0.9
401.08521	1.5
419.08951	19.2
419.13538	18.4
419.21609	1.9
419.26340	2.8
420.08881	2.3
420.13889	2.7
435.48126	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1138
Annotation	Benzyl 6'-O-galloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.00199	0.4
55.01747	1.1
57.03300	0.4
57.93748	0.4
59.01254	3.8
59.50300	0.3
67.01751	1.3
68.82863	0.3
68.99664	0.4
69.03308	0.4
69.24297	0.4
69.24700	3.7
71.01252	5.7
72.99177	0.4
73.02811	1.5
79.01766	1.4
83.01263	1.5
85.02824	3.9
87.00756	0.5
92.38660	0.3
95.01247	2.8
97.02820	1.2
99.00733	1.0
101.02326	4.4
107.01270	4.8
109.99989	0.6
111.00780	3.1
113.02309	1.6
123.00762	20.2
124.01569	1.6
125.02334	16.9
125.03077	0.3
126.02626	0.8
127.00260	1.2
135.04413	0.3
136.98703	1.8
139.00262	5.8
140.01053	4.3
141.01828	3.6
141.05693	0.3
145.53145	0.4
149.99474	0.4
151.00264	12.8
151.03809	0.4
153.01804	0.9
154.99742	0.4
168.00558	3.6
169.01328	21.0
170.01671	1.0
198.93095	0.4
223.02498	0.4
313.05594	1.4
421.11389	100.0
422.11740	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	419.1348
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
57.03325	0.8
59.01250	9.9
65.03838	0.5
70.15454	1.8
71.01254	4.1
72.99143	0.5
73.02834	0.9
81.03316	0.6
83.01270	1.1
83.04900	0.6
85.02828	1.7
89.02324	2.6
93.03355	3.4
94.94867	0.5
95.01265	0.8
101.02327	2.2
102.62124	0.3
106.04123	11.0
107.04913	26.1
108.02048	4.1
108.05257	0.8
111.04446	0.5
113.02332	1.6
119.03421	0.7
119.04958	1.9
121.02846	3.5
138.03128	0.7
145.02861	0.5
150.03200	0.7
151.03893	1.2
155.16089	0.4
161.04396	0.5
171.08043	0.4
182.02026	0.5
199.71799	0.4
211.07571	10.6
212.07909	0.6
213.09146	67.2
214.09506	5.5
219.66634	0.4
257.05777	0.3
257.08170	8.2
296.37143	0.4
364.26431	0.4
419.13440	100.0
420.13824	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	419.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	4.3
65.00186	1.2
69.30103	12.4
71.01253	2.4
72.99181	3.1
74.11042	1.2
88.02432	1.2
103.00200	2.2
107.10158	1.3
108.28455	1.2
109.02811	2.9
123.00767	1.2
124.01563	6.6
125.02337	2.8
133.02821	1.6
137.02330	3.6
138.03101	2.5
139.00359	1.4
139.03929	8.5
145.02863	2.1
149.02318	1.7
149.05963	2.0
151.00273	4.6
153.05496	1.8
155.08922	1.0
169.01343	1.3
174.03104	4.0
175.03889	3.3
178.99791	1.8
187.03857	1.4
189.05487	2.1
205.05028	1.7
206.05809	1.7
207.06523	2.7
208.45222	1.2
221.08147	4.7
250.08525	1.9
253.05055	1.3
269.04611	2.0
271.02380	2.8
272.03223	12.5
273.03983	4.3
280.03659	2.7
281.04480	4.3
283.06171	2.1
284.06802	2.2
295.06076	1.5
297.04044	2.4
298.04803	6.6
300.06354	1.7
301.07111	5.9
311.05688	2.2
312.06332	4.1
313.07138	17.4
314.07648	2.3
315.08755	2.9
325.07385	1.6
326.07919	3.6
327.08676	17.4
328.05740	2.2
329.06567	10.8
329.10257	3.0
341.10202	1.5
343.08121	10.1
343.11853	2.0
344.08942	21.4
345.09048	1.2
350.47815	1.4
358.10513	49.9
359.11313	81.1
360.11609	6.7
373.12897	76.2
373.17670	3.2
374.13184	8.9
389.12329	21.9
390.13144	2.2
401.11050	1.6
404.14725	73.6
405.14999	7.9
419.17105	100.0
420.17554	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	419.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81281	1.0
57.03320	15.8
59.01240	5.0
69.03317	2.7
70.49117	1.3
71.01266	1.3
81.03339	3.1
82.23489	1.3
83.01257	17.8
85.02800	1.3
93.03351	4.4
95.04894	2.2
97.02826	6.3
107.01247	1.2
107.45445	1.1
109.02841	11.4
111.00772	6.3
114.79231	1.0
117.03352	1.7
119.04908	1.9
121.02859	2.7
122.03564	1.2
123.04412	4.0
125.02338	85.2
126.02617	1.5
135.04410	3.9
137.02348	100.0
138.02681	3.8
139.03873	1.9
145.02858	23.5
146.03601	3.8
147.04411	5.1
149.02367	14.3
150.03131	15.6
151.03865	2.5
157.06487	2.8
159.04422	17.5
160.05128	1.8
161.02379	7.5
161.05963	7.1
162.03214	1.2
163.03940	2.3
164.01093	7.1
165.01898	7.0
166.02243	1.1
167.03487	1.4
173.05980	2.1
174.03246	1.2
175.03891	2.1
179.03438	3.2
183.04486	5.7
183.08118	4.2
185.06004	10.0
186.06601	2.0
187.03935	9.1
197.06064	1.4
200.04718	1.0
201.05470	5.3
201.09157	2.8
201.10901	1.2
203.07066	8.3
204.04214	1.1
207.04601	1.2
209.06015	3.2
211.03966	3.2
212.04649	1.6
213.05547	1.3
217.87616	1.2
225.05519	2.3
225.09224	3.6
227.03540	2.2
227.07043	6.8
229.04979	5.5
229.27780	1.6
230.02150	3.0
235.07472	1.9
239.07133	4.8
241.05034	7.2
245.07959	2.1
248.89705	1.1
251.07104	4.9
253.05025	18.4
253.08553	5.7
265.04907	1.8
269.08191	32.6
270.05112	1.6
270.08481	1.6
271.06116	28.3
272.06494	3.0
273.09424	1.2
281.08185	3.5
289.08633	2.3
291.10379	2.2
315.10220	5.0
317.08243	2.8
333.11417	5.3
336.79343	1.2
357.11151	5.2
375.12408	10.1
376.12659	1.7
401.10193	9.7
419.11365	14.2
420.11829	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	419.0983
Annotation	5,3',5'-Trihydroxy-3,6,7,8,4'-pentamethoxyflavone
Peak:m/z	Relative Intensity
59.01241	3.6
69.29596	3.1
69.30021	1.2
71.01240	1.4
72.99191	0.4
78.80462	0.4
81.03316	1.1
83.01275	0.6
85.02814	0.9
89.02290	1.0
93.03365	0.9
93.67051	0.4
95.01247	1.0
97.02834	0.5
101.02313	0.7
103.23177	0.5
105.57127	0.5
108.02048	100.0
109.02880	12.8
113.02290	0.4
119.04875	0.6
121.02838	15.1
123.00771	0.8
123.04416	0.9
125.02333	0.6
133.02849	0.9
135.04408	18.7
136.04741	0.7
137.02312	1.8
145.02885	0.6
147.04407	1.1
151.03882	3.5
152.01051	51.6
153.01837	18.3
154.02245	0.5
161.02339	0.6
161.04443	0.4
163.03894	2.7
165.01807	0.9
167.03354	0.4
174.03119	1.2
175.03935	3.4
176.04669	1.7
179.03595	0.4
180.04182	1.7
188.04739	0.9
189.05421	1.0
189.18259	0.4
190.06258	3.3
191.07022	2.8
193.05003	1.7
194.05678	1.1
205.08647	3.0
207.06560	0.9
208.07301	1.9
256.41254	0.5
257.08194	7.4
258.08392	0.7
326.84909	0.5
380.81787	0.5
389.16061	12.3
390.16306	1.2
419.09775	53.1
420.10132	5.9
440.65533	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61952	0.4
55.01752	5.4
57.03322	4.9
57.25231	0.5
58.00470	2.3
59.01249	64.6
60.01601	0.5
68.99689	0.5
69.03304	0.7
69.71334	3.2
71.01251	100.0
72.01595	1.2
72.99188	4.0
73.02815	26.5
74.45864	0.5
75.00751	1.2
82.80878	0.4
83.01254	9.9
84.02011	0.7
85.02820	37.6
86.03169	0.7
87.00749	4.2
87.04387	2.0
88.86553	0.5
89.02312	42.2
90.02634	0.6
95.01259	7.2
97.02810	2.4
98.19836	0.5
99.00756	10.9
100.01078	0.5
101.02319	69.0
102.02663	1.6
107.01254	0.5
107.04884	0.5
111.00781	0.7
112.01554	0.7
113.02327	45.5
114.02627	1.2
119.03387	17.7
119.04771	0.7
120.03672	0.5
125.02319	2.6
129.00946	0.5
129.01787	2.2
131.03397	1.3
133.02849	1.6
143.03412	7.3
149.04475	1.4
151.00278	1.5
153.98767	0.5
159.02899	10.6
161.02455	8.0
161.04457	56.0
162.04776	1.6
164.01025	0.5
165.05475	1.1
172.15622	0.5
179.03383	0.7
179.03928	0.6
179.05525	5.4
205.03481	1.6
227.03508	1.1
255.02760	1.0
255.05144	0.7
255.19606	2.6
271.06183	2.2
284.03207	2.8
327.08667	0.6
417.07785	3.9
417.24939	48.2
418.08295	1.0
418.25287	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	417.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	50.4
71.01252	27.3
71.56801	5.8
72.99171	41.5
73.02807	13.8
75.00732	6.5
83.01266	8.0
83.84465	4.0
85.02785	11.0
87.00754	13.3
96.78362	4.2
96.95870	7.2
100.98701	5.3
101.02326	15.2
103.00246	100.0
109.02779	10.5
113.02309	9.6
117.98788	4.3
121.02824	5.8
123.00758	18.4
123.04373	22.3
124.01485	6.0
125.02332	14.9
128.29968	4.8
135.08060	5.6
137.02341	21.2
146.03600	6.1
146.99246	18.4
149.05991	8.6
150.03128	5.4
151.00278	14.4
153.01846	5.8
154.02715	4.8
161.02353	10.7
161.04462	18.7
163.07541	5.4
166.02626	35.9
173.05981	8.3
175.07552	11.0
176.04706	11.0
177.01740	7.8
179.03320	9.1
181.04965	50.7
187.07645	5.6
189.05466	15.5
191.07080	8.6
195.06372	5.6
197.04462	8.4
203.07095	10.4
205.08582	18.3
215.07138	9.5
217.05048	6.6
219.06551	6.7
221.08112	12.0
233.08121	22.3
249.07591	5.3
249.13541	5.6
284.03049	4.7
285.17123	6.1
293.10220	6.8
311.07703	4.5
365.08704	5.9
381.17728	17.2
383.09842	15.8
387.10883	8.0
417.09814	13.8
417.15521	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	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01738	1.3
56.42134	1.6
59.01249	100.0
70.56155	1.2
71.01250	30.9
71.37457	1.5
71.37809	1.6
72.99155	6.9
73.02818	5.1
81.03294	1.2
81.37160	1.4
83.01248	2.6
85.02819	8.4
87.00756	2.2
89.02309	25.1
95.01256	3.8
99.00713	2.2
101.02317	21.4
103.00240	10.3
107.01244	1.8
107.99968	1.4
109.02887	2.2
111.00777	2.9
113.02312	11.7
119.03409	10.0
123.00780	4.7
125.02327	8.3
143.03369	4.1
146.99226	2.8
151.00227	4.4
161.04466	19.8
163.03818	1.5
168.00587	2.4
169.01321	6.0
176.04681	2.0
177.09142	6.1
179.05536	7.8
233.08047	1.5
269.58905	1.5
289.07144	2.3
357.15540	22.8
383.09671	1.8
417.08456	3.0
417.13779	31.1
418.14359	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71445	0.9
58.00462	4.2
59.01234	3.7
61.43469	0.9
64.33753	1.1
69.52610	8.6
71.01239	2.0
72.99176	22.3
75.00744	2.2
85.02838	1.1
87.00730	1.3
93.03341	6.1
95.01218	1.1
98.19867	2.2
99.00753	1.9
99.25854	1.1
103.00245	2.6
107.01239	2.7
107.04906	7.3
109.02799	1.4
119.04891	2.4
121.02818	1.7
123.04384	1.8
125.02345	1.5
131.04875	1.7
133.02846	4.4
135.04410	35.8
136.04744	1.9
136.89583	1.2
137.02373	2.2
146.99316	1.6
147.04404	3.0
149.05940	5.8
151.00261	6.5
151.03905	1.2
155.18257	1.2
161.02347	3.1
161.54251	0.9
163.03854	1.1
165.05475	49.8
166.05869	1.6
166.64478	0.9
175.03835	1.6
179.03415	39.4
180.03766	2.3
183.04330	1.0
193.04979	10.5
255.05067	100.0
256.03125	2.3
256.05728	5.1
256.07941	1.2
283.02374	2.8
284.03174	22.5
285.03806	4.5
336.97131	1.0
352.02087	1.2
395.37854	1.1
417.08157	18.0
418.08597	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	417.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00469	2.6
59.01251	13.4
63.17570	1.8
69.34949	3.2
69.35338	16.5
71.01252	6.6
72.99178	39.7
73.02818	2.7
75.00738	1.9
81.03300	2.4
87.00752	4.4
87.37178	1.6
88.13845	1.7
93.03376	2.7
95.01243	2.3
95.04869	2.9
98.87296	1.8
99.00742	7.0
100.98647	3.2
103.00240	27.4
107.01228	2.2
107.04919	3.2
109.02834	71.4
110.03178	2.4
117.03441	1.9
117.76561	1.9
119.04945	9.7
121.02796	9.2
122.03616	2.8
123.00752	2.7
123.04401	63.7
124.01535	1.9
125.02338	4.8
133.02856	2.0
133.90121	1.7
135.04399	11.6
137.02304	8.0
138.03143	2.1
139.00198	2.4
139.03893	2.1
141.78571	1.9
145.02840	9.3
146.99274	5.7
147.04362	4.0
150.03108	2.3
151.00316	4.1
151.03932	16.0
153.01775	4.4
154.02708	1.9
161.02344	7.9
163.03922	25.7
165.05493	19.1
173.02313	13.1
174.03067	2.3
177.01860	4.3
179.03394	17.9
181.04977	79.6
182.05243	4.4
189.01846	28.0
191.03418	87.3
192.03818	3.3
195.02901	6.5
196.03850	2.3
204.68169	1.7
209.04436	4.1
217.01437	2.8
235.02406	15.4
253.03502	100.0
254.03865	8.0
256.03271	2.4
271.04614	35.0
272.05200	2.1
283.02545	2.0
284.03195	13.1
285.03906	2.9
357.09238	4.9
367.10349	9.1
383.09979	2.7
417.08472	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91933	0.2
52.26521	0.2
58.00451	1.3
59.01237	1.4
63.02263	0.9
63.93896	0.2
65.00205	0.5
69.31373	2.7
71.01253	0.8
72.99181	1.4
80.31831	0.2
83.01262	0.7
87.00756	0.4
91.05373	0.4
93.03332	3.5
95.01276	0.3
98.20486	0.5
103.00264	0.9
104.39587	0.3
106.04114	0.5
107.01276	1.6
107.04896	4.9
108.54221	0.3
108.90162	0.2
109.02873	0.4
112.98703	0.6
117.03371	0.5
119.04895	1.4
121.02827	0.4
131.04953	0.7
133.02846	0.6
134.03636	3.1
135.04408	73.9
136.04738	3.2
137.02428	0.3
145.02812	0.5
147.04413	1.1
149.05983	3.1
151.00278	3.4
161.02338	0.7
163.00313	0.3
163.03854	0.6
164.01100	0.4
165.05478	14.0
165.57394	0.3
166.05899	0.7
169.01355	1.1
175.03934	0.5
179.03409	100.0
180.03738	4.7
180.05290	0.4
193.04942	4.0
209.04538	0.3
213.05623	0.3
227.03503	1.3
229.05005	0.3
237.04008	0.6
255.02864	2.1
255.05103	7.8
256.03287	1.2
256.05609	0.4
257.04514	1.5
283.02481	0.7
284.03180	9.9
285.04007	14.8
286.04361	1.1
327.05209	0.5
385.87842	0.3
417.08148	6.9
418.08377	0.6
441.16653	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0827
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
52.06239	0.3
57.67326	0.2
58.00470	0.5
59.01249	5.4
71.01251	0.7
72.99178	7.4
73.02809	0.4
75.00743	0.5
85.02808	0.4
87.00746	0.6
89.02337	0.5
93.03347	1.7
95.04887	0.3
99.00774	0.4
99.61337	0.2
101.02335	0.7
106.04153	0.5
107.04893	1.7
113.02325	0.3
117.51395	0.2
119.04910	0.6
121.02857	0.5
123.04420	0.3
131.04938	0.3
132.02052	1.1
133.02844	26.7
134.03195	1.2
135.04422	1.0
147.04445	0.8
149.06018	1.5
161.02344	100.0
162.02684	5.2
163.03918	0.5
165.05489	10.9
166.05797	0.5
175.03995	0.3
179.03415	4.0
181.04985	0.7
193.04976	2.3
211.05974	0.4
219.02966	0.4
227.03462	0.9
239.25327	0.3
255.02940	0.7
255.05086	14.0
256.05426	0.8
284.03281	0.7
285.03995	2.9
286.04370	0.3
311.09393	0.4
327.08728	7.1
328.08960	0.6
341.06702	2.8
342.06931	0.4
343.08099	1.5
357.19232	0.4
417.08237	29.3
418.08569	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	417.0826
Annotation	Cimicifugic acid D
Peak:m/z	Relative Intensity
52.21873	0.8
58.00451	1.9
59.01247	31.3
61.24456	1.1
69.40586	2.3
69.41000	6.3
71.01247	15.7
72.99175	18.3
73.02818	3.3
73.66479	0.8
75.00735	1.4
78.60802	0.7
83.01241	2.2
85.02824	4.3
87.00755	1.9
89.02313	12.8
93.03326	7.5
95.01240	1.1
95.24899	0.8
98.19756	0.8
99.00735	2.3
101.02318	10.8
103.00236	1.3
107.04906	5.6
109.02818	2.5
112.40897	0.8
113.02324	6.5
117.03325	3.8
119.03393	5.3
119.04903	2.8
121.02847	1.1
123.04393	4.8
132.02037	1.1
133.01826	1.7
133.02843	30.3
134.03224	0.8
135.04395	3.4
143.03333	1.3
145.02856	13.4
146.03149	0.9
147.04411	1.4
149.05972	3.1
149.84538	0.8
151.00241	1.7
151.03886	1.1
161.02342	100.0
161.04260	5.6
162.02650	6.4
163.03848	1.9
165.05479	18.4
179.03380	5.7
179.05539	1.8
181.04927	3.1
193.04942	4.6
195.02866	1.3
209.04311	1.0
211.06056	1.1
219.57153	0.8
225.09114	1.4
255.02719	1.5
255.05064	18.6
255.19574	1.6
271.04523	3.4
284.03323	1.2
296.37845	0.9
327.08716	8.6
328.09265	0.9
341.06659	3.0
343.08258	2.0
355.08011	1.0
417.08185	41.8
417.25024	8.8
418.08929	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	417.0828
Annotation	5,3'-Dihydroxy-3,8,4',5'-tetramethoxy-6,7-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01249	100.0
60.01580	1.2
60.99170	1.0
62.82256	0.6
65.32836	0.6
69.03327	0.8
69.51392	5.0
69.51737	0.9
71.01250	11.7
72.99179	40.9
73.02793	1.2
75.00749	1.3
83.01263	1.9
85.02825	1.2
88.35812	0.6
89.02313	1.5
93.03339	4.7
97.02811	1.0
98.20533	1.3
101.02309	3.3
103.00262	0.9
106.04128	14.5
107.04942	3.1
108.02049	5.7
109.02824	2.0
113.02359	1.7
119.03400	0.8
119.04910	3.5
121.02859	2.0
123.04427	2.6
125.02327	14.9
130.04114	2.7
132.02069	6.3
133.02856	3.9
134.03630	2.6
135.04424	6.8
137.02336	11.2
138.03101	2.5
145.02878	1.7
147.04427	7.5
148.01555	13.9
149.02277	1.9
149.05969	1.0
157.10158	1.0
161.02333	12.6
161.04414	1.3
162.02884	0.7
163.03923	3.8
163.07536	7.1
164.04659	1.7
165.01875	2.0
165.05490	4.2
167.03334	0.7
173.09529	0.8
175.03928	1.9
177.09172	4.4
179.03500	4.7
179.07054	32.9
180.07370	1.6
185.09642	2.4
190.39040	0.6
193.04962	1.5
195.04488	1.6
195.06477	1.0
203.10663	3.0
207.06561	3.7
208.05234	1.5
209.05994	1.2
219.10274	1.0
221.11789	5.4
225.07649	1.8
227.03526	1.5
236.04723	1.0
237.05632	6.7
238.05885	0.7
255.02881	2.7
255.05179	1.2
261.99197	0.6
265.10730	1.2
269.08328	3.8
284.03262	2.3
288.06421	0.7
293.08481	0.7
295.06085	2.3
313.07401	0.7
325.06897	0.9
327.08673	14.9
328.09024	1.8
337.07178	0.9
341.06625	6.3
341.92715	0.6
343.08395	0.8
355.08203	10.5
356.08615	1.5
371.07614	0.8
385.12827	2.2
417.08218	44.4
417.24722	1.6
418.08511	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	416.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17249	12.4
59.01241	24.3
69.94137	58.9
71.01283	13.7
72.95186	14.7
82.69220	13.0
87.90085	10.8
103.00295	12.0
121.02850	81.3
148.03908	100.0
152.40965	12.7
161.04387	16.9
211.48717	12.8
237.59729	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	417.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31304	0.6
51.77841	0.5
66.63521	0.6
67.33171	0.7
69.74817	2.9
72.99190	0.9
73.42475	0.5
83.01305	0.5
89.25042	0.6
119.44904	0.7
133.02852	3.8
151.00278	1.4
156.76068	0.5
158.81313	0.6
161.02342	15.1
165.05479	1.6
183.04517	1.2
187.04007	0.6
211.03975	1.2
226.80894	0.6
227.03444	45.0
228.03789	3.2
229.04971	1.4
255.02950	55.3
255.04961	2.2
256.03452	9.2
257.04453	1.0
284.03244	61.7
285.03876	16.6
286.04410	1.6
327.08600	1.1
417.08237	100.0
418.08569	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	417.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82068	0.6
65.45135	0.5
69.47229	1.7
69.47652	3.4
71.94919	0.5
72.99167	0.7
77.79897	0.5
85.02847	0.6
93.03336	1.2
95.32819	0.6
98.20499	1.1
101.59866	0.5
102.51502	0.5
107.01267	1.2
107.65897	0.6
109.02811	1.0
111.00710	0.5
125.02337	1.8
133.02835	2.3
135.00743	1.7
135.04443	0.8
137.02325	1.5
151.00262	1.8
153.01828	0.9
159.04451	0.7
161.02336	9.0
163.00253	1.5
164.01024	0.6
165.05492	1.4
183.04424	1.9
185.06006	1.2
186.32770	0.5
187.03932	1.2
199.03900	0.9
211.04045	2.9
211.06046	0.6
213.05516	1.1
227.03456	68.6
228.03813	5.0
229.04996	5.1
230.05391	0.7
239.03497	0.9
241.04985	0.6
255.02963	100.0
256.03540	13.5
257.04532	3.4
257.18417	0.7
284.03256	74.5
285.04007	65.6
286.04407	4.0
327.05008	0.9
417.08249	64.7
418.08557	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	415.2335
Annotation	Atractyloside G
Peak:m/z	Relative Intensity
53.43032	0.3
55.01741	0.5
57.03323	0.6
58.00460	1.2
59.01249	28.2
60.01578	0.4
61.86866	0.3
69.47523	2.0
71.01252	14.8
72.99191	1.5
73.02795	0.8
83.01260	1.3
85.02821	3.1
87.00748	0.5
89.02314	14.9
92.77872	0.3
95.01241	1.0
99.00753	0.4
101.02316	11.4
113.01607	0.5
113.02328	5.8
116.68613	0.3
119.03381	5.9
131.03397	0.5
143.03398	0.3
150.87096	0.3
161.04469	0.3
191.14389	0.7
207.17514	1.8
208.21512	0.3
235.17000	4.1
253.18048	8.3
254.18466	0.6
256.76138	0.4
415.23361	100.0
416.23679	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	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94505	0.4
54.31604	0.4
55.01754	5.5
57.03315	5.4
57.56656	0.5
58.00470	2.9
59.01246	42.0
59.92261	0.5
62.93669	0.5
67.01740	0.7
68.99690	0.8
69.03333	3.2
69.23785	3.2
69.24210	2.3
71.01248	89.6
72.01576	1.0
72.99166	6.7
73.02813	40.7
75.00752	2.0
81.03323	1.0
83.01253	29.2
83.04878	0.6
84.01564	0.9
85.02815	48.6
85.99959	0.8
87.00752	4.4
89.02313	11.1
95.01261	6.9
97.02835	4.8
98.19833	1.2
99.00076	0.7
99.00748	14.6
100.01131	0.5
100.98654	0.6
101.02316	86.0
102.02664	1.6
103.00237	8.4
103.00872	0.7
103.03882	5.5
107.04931	0.9
108.02045	4.1
109.02832	3.6
109.04033	0.6
111.00764	1.9
113.02325	35.2
115.03896	0.5
117.05463	1.7
119.03369	2.4
121.06423	0.6
123.00798	3.0
123.04377	0.9
125.02326	9.0
126.02690	0.7
127.03879	1.0
129.01840	1.7
135.04416	0.6
137.02357	1.1
139.00235	0.8
140.01082	0.5
141.01820	0.6
143.03410	4.9
145.04944	2.6
146.99281	1.0
149.05959	1.0
151.00266	1.1
151.03940	0.6
152.01068	4.1
153.01840	2.8
159.02893	8.2
161.04454	59.0
162.03011	0.7
162.04796	1.7
163.03954	0.6
163.06024	3.0
163.07440	1.0
165.05492	0.7
165.08916	0.6
169.01320	2.7
175.07552	0.8
176.04652	0.9
177.09114	0.6
179.03398	0.6
179.06982	0.5
187.07585	0.7
191.07069	0.7
203.07014	0.7
205.03380	3.3
205.08650	1.3
219.06592	0.6
229.07124	2.1
247.08121	4.6
251.09276	0.6
269.10275	100.0
270.10599	7.8
297.06168	0.6
307.10522	0.7
313.08948	0.6
362.31351	0.5
363.42749	0.5
382.08829	0.7
415.12079	9.7
415.16113	23.8
416.11823	0.9
416.17151	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	415.1607
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01743	0.5
57.03308	0.5
58.00457	2.1
59.01246	63.7
60.01580	0.9
69.03329	0.7
71.01249	49.9
72.01597	1.3
72.99171	2.2
73.02812	13.8
80.34840	0.5
83.01262	1.3
85.02824	4.8
87.00745	1.4
89.02312	100.0
90.02609	1.2
95.01252	1.0
97.02817	1.6
98.19743	1.0
99.00751	24.8
101.02315	35.8
102.02641	0.9
113.02329	9.9
115.03857	0.7
119.03387	6.7
125.02332	5.4
131.03394	20.0
132.03738	0.6
140.24323	0.5
143.03395	2.3
149.04456	65.1
150.04790	2.0
161.04459	3.7
179.05547	2.7
180.57899	0.5
182.06784	0.4
191.05516	15.6
192.05865	0.6
221.06683	2.3
251.07721	4.8
270.54337	0.5
285.39557	0.5
293.08609	0.6
341.31110	0.5
366.86893	0.5
415.16153	7.8
416.16205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	3.8
67.01756	1.3
69.03336	0.9
69.52005	2.7
69.52415	1.4
71.01250	5.1
71.04902	1.2
72.99155	0.6
73.02843	1.4
79.01762	1.4
83.01251	1.4
83.04878	1.2
85.02837	3.1
87.00744	0.7
95.01266	3.1
97.02827	1.0
98.20513	1.1
99.00751	0.9
101.02316	2.5
101.05950	2.0
107.01274	4.6
107.96639	0.6
109.02849	0.8
111.00761	2.8
113.02325	1.3
122.99900	1.0
123.00765	14.4
124.01539	1.5
125.02331	17.3
126.02665	0.6
127.00246	1.1
136.98721	1.9
139.00272	4.9
140.01039	3.6
141.01810	1.7
151.00270	9.4
153.01796	0.9
154.99748	0.5
168.00551	3.6
169.01338	17.6
170.01677	1.0
177.03992	1.3
211.02469	1.5
271.04565	1.0
292.66644	0.5
313.05560	1.0
329.35721	0.6
415.12433	100.0
416.12753	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	415.1609
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01757	2.1
57.03308	1.6
58.00457	3.5
59.01249	77.4
60.01588	1.0
61.02814	0.5
70.57417	1.8
71.01251	54.3
72.01592	0.7
72.99184	3.4
73.02818	25.9
73.71899	0.5
83.01260	2.4
85.02821	17.7
87.00745	2.2
89.02313	64.0
90.02649	1.4
95.01259	6.1
98.19819	0.6
99.00754	100.0
100.01074	2.8
101.02317	20.5
103.00224	0.6
113.02328	42.3
114.02678	0.9
119.03392	12.2
125.02300	0.6
125.23008	0.6
131.03387	13.3
143.03389	3.5
149.04460	44.1
150.04774	1.3
161.04460	20.3
162.04816	0.9
179.05580	3.3
191.05536	42.1
192.05923	2.0
233.06610	7.1
282.38950	0.5
293.08682	0.7
305.34137	0.5
409.65762	0.6
415.16089	21.2
416.16391	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	415.1035
Annotation	Daidzin
Peak:m/z	Relative Intensity
51.80787	0.6
57.03325	1.1
58.00460	6.2
59.01250	34.7
67.30127	0.7
70.60760	2.3
71.01250	28.7
72.99187	6.0
73.02814	2.6
77.52104	0.8
83.01259	2.4
85.02811	8.3
87.00768	0.9
89.02316	20.2
91.05390	6.1
93.03337	0.7
95.01271	2.5
96.95892	0.7
99.00751	1.5
101.02319	18.5
113.02316	10.4
115.05429	4.7
117.03336	5.0
119.03382	8.0
119.04906	1.9
125.02283	1.7
131.04926	7.2
133.02887	1.1
133.06480	6.9
134.03618	20.3
137.02324	2.4
141.22980	0.8
145.02858	19.1
146.03201	0.9
147.04414	4.1
149.05980	100.0
150.06354	4.5
151.00348	1.0
159.04381	2.0
161.02319	1.7
161.04446	4.3
165.05421	1.0
177.05469	13.6
178.02666	6.9
178.05815	0.9
179.05557	0.9
191.14349	1.1
193.04982	45.1
194.05238	1.8
207.17430	1.6
235.16963	5.3
253.18051	9.1
264.49484	0.8
311.09366	1.1
415.23358	93.8
416.23431	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	413.2694
Annotation	6-keto Testosterone Enanthate
Peak:m/z	Relative Intensity
52.82766	0.2
57.88523	0.2
59.01249	0.3
71.56087	0.2
79.05417	0.2
80.35623	0.2
81.03321	2.1
83.01227	0.3
83.04865	0.2
122.03603	2.1
123.04416	0.4
125.02349	0.2
135.04413	1.9
136.05203	0.3
137.02318	0.3
149.05942	0.6
153.01820	0.3
177.09079	0.3
219.13789	0.3
277.21643	0.4
301.21701	1.6
301.25278	0.9
313.21472	0.3
327.23355	0.5
327.26910	2.0
329.21271	0.3
329.24814	0.5
343.26367	9.4
344.26752	0.8
353.24808	2.7
354.25070	0.4
367.26563	0.6
369.27963	11.0
370.28198	1.6
371.25891	6.8
372.26343	0.7
395.26041	0.5
413.26926	100.0
414.27277	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	413.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39730	2.8
59.01251	100.0
60.18811	2.8
60.33112	3.0
69.80414	17.6
85.46500	2.8
146.96690	2.9
176.48909	3.1
202.94670	2.7
228.44667	2.6
358.63425	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	413.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.5
59.01251	4.7
63.63259	0.5
64.10178	0.4
71.01254	5.1
72.99178	12.9
73.02801	2.3
78.95774	1.9
83.01273	1.0
85.02834	1.7
87.00751	0.9
89.02313	2.5
92.51883	0.5
93.03325	0.5
95.01240	0.6
96.56152	0.5
99.00739	3.6
101.02345	2.8
103.00247	4.5
109.02834	1.5
109.78107	0.5
113.02316	1.8
119.04906	100.0
120.05223	4.3
123.04388	0.9
137.02328	0.9
151.07578	1.3
152.99501	3.1
160.01564	0.8
161.02301	0.7
161.04449	2.3
163.07579	0.9
172.05339	0.5
173.06041	0.9
175.03882	1.6
175.22980	0.5
181.04956	0.5
187.07539	3.8
189.05455	1.1
189.09143	1.2
191.05544	1.2
195.02968	0.7
201.09103	3.5
203.10706	0.8
215.07072	0.6
219.10204	0.7
221.11758	1.5
230.52390	0.6
231.10323	0.5
233.11723	3.4
263.12860	0.7
265.14417	0.7
265.59204	0.5
281.10315	2.4
289.10883	0.5
291.12360	4.2
381.11880	20.9
382.12219	1.5
413.14529	17.9
414.14896	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	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71174	0.5
55.01750	1.2
58.00460	1.7
59.01247	46.0
69.03315	4.9
69.48163	4.1
71.01251	46.5
71.53043	0.5
72.01595	1.1
72.99182	2.2
73.02816	7.0
75.00744	2.1
78.95778	1.9
81.03316	2.6
83.01246	4.4
85.02816	5.8
87.00761	1.5
89.02316	59.1
90.02641	0.8
93.03347	0.7
95.01270	1.5
96.48458	0.5
97.02825	8.2
99.00757	10.4
99.04404	1.4
101.02316	10.3
102.03315	0.6
102.37624	0.5
103.00279	0.7
109.02869	0.7
111.00754	1.4
111.04501	0.6
113.02298	4.3
115.03870	4.7
115.81728	0.5
119.04914	100.0
120.04476	0.5
120.05257	3.5
125.02341	29.6
127.03899	1.1
131.03391	6.9
143.03404	2.2
149.04456	8.5
152.99512	4.0
154.36855	0.6
161.04453	1.7
173.04449	0.7
191.05569	5.1
233.06630	23.4
233.08981	1.3
244.26306	0.5
293.08777	21.0
294.09293	0.8
300.11658	0.5
311.90533	0.5
413.14410	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32491	1.3
54.25595	1.2
56.52447	1.2
57.38549	1.5
59.01248	100.0
61.79383	1.1
77.49073	1.2
78.95762	5.9
83.39361	1.4
89.14663	1.4
94.78246	1.3
106.43806	1.3
128.47623	1.2
149.27774	1.4
152.99489	5.1
154.99904	1.9
184.42480	1.3
309.42493	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27309	0.9
59.01254	4.7
68.02389	1.0
71.01265	4.6
71.58699	1.5
72.98769	1.7
72.99178	34.0
74.32674	0.9
78.95768	4.3
85.02826	1.7
85.52750	0.9
87.00768	2.8
89.02311	1.6
91.15204	0.9
99.00760	2.8
101.02327	3.3
101.76617	0.9
103.00222	3.8
109.02831	2.1
123.00758	6.1
123.04417	3.3
124.01562	1.5
125.02368	6.0
133.02855	1.1
137.63275	1.0
139.00249	2.1
140.01028	2.7
141.01804	1.5
147.04411	2.1
151.00296	4.5
152.99503	7.3
159.04396	1.0
161.02324	4.0
161.04459	1.1
161.05943	2.0
168.00494	2.0
169.01289	6.9
175.03928	3.6
175.07532	3.6
176.08315	1.2
181.05045	1.2
187.07570	1.9
189.05524	2.7
190.06288	2.2
200.08272	1.2
201.09122	4.1
202.06174	1.9
203.06999	8.3
204.07808	4.9
215.07063	1.3
218.09381	4.8
219.10181	1.2
228.07968	1.2
233.11763	10.2
251.12856	22.1
252.13144	1.7
263.12875	1.5
264.10004	1.3
265.14496	4.6
271.04474	1.5
275.12857	10.5
291.12262	6.0
293.13934	6.7
310.59885	1.1
319.11826	14.4
320.12024	1.0
323.14926	20.5
324.15317	2.1
333.13446	2.9
339.14526	1.6
351.14413	2.5
369.15381	1.2
381.11890	12.2
382.12634	1.5
413.14529	100.0
414.14777	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	411.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	2.0
58.00479	3.3
59.01249	54.7
61.98693	4.0
70.60945	7.6
71.01252	38.5
72.99178	7.9
83.01260	4.8
83.04899	5.2
85.02824	10.9
87.00716	3.3
89.02318	35.6
93.03355	2.7
94.12510	2.0
95.01283	4.6
95.04891	4.7
96.95907	2.2
98.20531	2.4
101.02328	16.5
107.04904	6.1
113.02326	23.2
119.03399	13.3
123.08020	2.0
134.72037	1.8
135.04401	3.6
147.11650	2.4
149.06004	2.1
153.59639	1.7
157.06497	4.1
159.08055	8.6
159.11639	5.4
161.04510	3.4
161.13261	100.0
162.13649	2.9
165.05516	3.6
172.08736	2.7
175.11188	2.0
179.05569	4.3
185.09589	3.7
185.13286	6.9
187.11221	60.0
205.12267	85.6
205.24371	2.1
206.12607	5.4
229.12250	21.6
247.13367	5.7
249.11288	55.5
249.14760	4.9
259.63013	2.1
317.44150	2.1
411.16412	8.1
411.21054	2.8
433.07870	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2356
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
57.20549	0.5
59.01250	1.3
62.96269	0.5
65.67884	0.5
70.25826	0.5
70.94234	0.7
70.94575	0.9
78.95770	68.7
94.68465	0.4
96.96833	4.8
118.21076	0.5
118.39487	0.4
122.67738	0.4
150.97894	1.4
152.99480	100.0
153.99779	1.6
171.00511	2.5
210.64673	0.4
231.47789	0.6
255.23216	2.6
268.13876	0.5
364.64645	0.5
409.23566	13.3
410.23840	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	411.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	3.0
58.27063	2.1
59.01245	69.8
61.98700	4.5
66.56247	1.9
69.26242	23.6
71.01251	42.7
72.99174	8.8
75.00714	2.0
79.05405	2.8
83.01250	4.3
83.04876	3.2
85.02814	11.7
87.00741	3.6
88.90598	2.2
89.02311	36.7
95.01265	5.3
95.04889	5.5
97.02869	2.1
101.02306	19.9
107.04898	7.9
113.02325	27.5
115.25071	2.0
119.03393	15.0
120.05646	2.6
125.02275	2.8
135.04358	2.7
137.06039	2.4
157.06444	2.5
159.08049	8.3
159.11661	4.4
161.04456	5.7
161.13261	100.0
162.13611	7.6
165.05519	2.6
169.10182	3.5
172.08864	2.1
179.05592	4.9
185.09598	3.8
185.13315	4.7
187.11221	60.4
188.11438	3.8
205.12279	89.8
206.12660	7.6
229.12294	30.8
231.10161	2.5
231.13763	3.1
232.80461	2.2
242.85558	2.3
247.13423	6.0
249.05630	3.0
249.11275	50.0
249.15019	3.2
250.11465	3.9
301.38614	2.4
347.47470	2.2
411.16217	5.4
428.71121	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22087	2.0
57.03310	3.4
58.00475	2.6
59.01252	50.8
71.01257	34.3
71.58453	2.4
71.58823	3.0
72.99174	6.5
73.02821	3.2
75.00703	1.9
76.69166	1.9
77.06544	1.6
81.06969	2.2
83.01232	2.9
83.04897	2.7
85.02812	10.9
87.00763	3.4
89.02313	32.8
90.49235	1.9
91.94843	2.0
95.04922	2.8
98.20666	1.9
101.02329	15.7
107.04893	8.9
107.08626	3.0
108.05240	3.3
113.02333	19.8
119.03411	11.4
122.28049	2.0
135.04401	4.1
143.03284	2.8
145.02744	2.6
157.06519	2.5
159.08017	3.6
159.11694	4.3
161.04416	4.2
161.13260	86.8
162.13559	6.0
163.03854	2.6
165.05501	3.1
171.08051	1.9
179.05504	4.8
185.13268	5.7
187.11212	49.9
188.11520	3.2
203.14348	2.9
205.12268	100.0
206.12602	5.7
229.12289	21.6
230.12592	2.3
247.13393	2.2
249.11301	65.6
250.06143	1.9
250.11644	5.7
278.09497	3.1
279.90430	1.9
291.12451	2.3
306.57312	2.3
311.91644	2.1
374.93726	2.3
411.10983	2.5
411.16019	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	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44065	2.2
55.01753	5.3
57.03311	3.8
59.01251	56.1
61.98693	4.5
63.96103	4.2
66.48895	2.1
69.52473	5.6
69.52884	13.5
71.01254	68.7
72.99163	5.8
73.02815	36.7
75.00780	2.4
78.95770	5.4
83.01257	15.5
85.02815	33.8
87.00742	6.2
87.15290	2.4
89.02314	13.8
89.02773	2.1
89.52103	2.2
93.03339	2.1
95.01250	2.8
97.02831	4.0
99.00774	12.7
101.02314	64.2
107.04872	3.9
109.02818	3.6
111.00739	2.9
113.02326	29.5
119.04922	8.4
123.04398	2.6
125.02368	6.4
131.03464	4.3
137.02348	4.9
137.09619	31.9
141.00056	82.3
143.03363	4.0
151.03860	2.3
152.99503	3.2
159.02916	3.4
161.04497	15.8
163.03917	5.2
171.08047	5.5
185.13303	2.7
187.11159	17.9
191.07010	3.5
203.14334	18.9
229.12268	10.2
233.06784	3.4
245.15514	3.2
247.13409	19.4
248.03822	34.3
271.13403	10.8
277.16541	100.0
278.16879	5.3
289.07242	11.9
309.09943	2.3
317.06848	2.4
337.38721	2.4
409.20816	80.9
410.09189	5.0
410.21207	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	409.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.9
58.02464	0.6
59.01247	6.1
67.34959	0.5
71.01248	1.5
72.99178	41.4
75.00752	2.0
81.03312	0.9
83.01247	0.7
86.46056	0.5
93.03333	14.8
95.04887	0.8
97.02839	0.9
99.00764	2.7
99.51162	0.5
106.04134	1.8
107.04905	100.0
108.02048	3.3
108.05259	3.6
109.02840	5.5
119.04906	2.5
121.02812	1.2
121.06452	1.5
123.04411	7.2
125.01553	0.5
125.02309	3.2
131.04919	3.7
132.02075	1.0
133.02844	6.0
134.03645	1.3
135.04411	18.2
136.04756	1.1
137.02332	3.0
139.03886	1.1
145.02827	0.9
147.04425	2.2
149.05989	13.0
151.03859	1.7
152.01074	1.7
161.02339	0.6
161.05878	0.7
161.40985	0.5
163.03854	1.4
164.04620	0.5
165.05479	56.7
165.76634	0.6
166.05824	2.6
171.62271	0.6
179.03418	3.0
181.04944	2.0
187.03937	0.9
188.04750	1.0
193.04996	10.5
199.00752	0.6
203.07059	3.1
205.04993	1.8
211.06026	1.7
243.00131	0.5
245.08101	4.4
255.05080	1.0
265.61252	0.6
289.07172	23.3
290.07455	1.6
318.21616	0.6
319.15463	1.8
333.13394	6.5
347.15079	2.6
409.15036	76.6
409.61234	0.7
410.15381	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	409.0929
Annotation	Epicatechin 3-O-p-hydroxybenzoate
Peak:m/z	Relative Intensity
52.46249	0.6
57.03312	2.8
59.01234	2.3
64.31297	0.6
70.21133	2.8
81.03330	2.7
83.01247	2.8
93.03332	10.3
95.04887	2.5
97.02814	5.1
101.02325	1.3
103.00203	0.7
107.04910	0.6
108.02050	0.9
109.02827	19.6
117.03336	3.1
118.89970	0.7
119.04910	7.7
121.02839	7.8
122.03568	0.7
123.04399	12.4
125.02331	21.6
130.59459	0.7
135.04408	2.4
137.02347	19.6
138.03099	0.9
139.03877	2.8
145.02843	3.9
146.03662	1.8
149.02397	5.6
150.03030	1.4
151.03915	7.9
152.52754	0.7
159.04393	3.4
160.05154	1.1
161.02359	1.1
161.05989	4.2
162.03105	1.9
163.03920	12.1
164.00987	2.7
165.01848	20.9
167.03441	1.8
173.05927	1.4
175.03949	1.7
175.07460	1.9
177.05411	0.8
179.03391	6.9
179.43414	0.6
181.04935	0.7
183.04309	0.8
185.05978	1.2
187.03972	4.1
188.04724	3.3
199.03998	0.8
201.05510	1.4
202.06285	2.3
203.07068	12.9
204.07463	1.1
205.04979	8.0
221.08119	2.5
227.07123	2.2
229.05058	0.9
241.05022	2.2
243.06578	3.0
244.42828	0.7
245.08159	18.6
246.08524	0.9
247.06111	1.0
253.05014	0.8
259.06021	4.1
271.06238	3.5
272.06430	0.9
289.07169	100.0
290.07495	9.2
315.04947	0.7
363.50571	0.7
373.18558	0.9
409.09140	2.6
409.15021	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	409.041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	34.2
68.89996	3.3
71.01237	7.2
71.58221	3.8
72.99187	18.4
87.00749	4.4
88.02848	3.1
89.02319	5.5
96.71428	3.5
101.02319	7.0
103.00251	57.5
113.02278	3.1
125.02377	6.5
125.12682	3.0
125.86827	3.1
134.03593	3.5
135.04378	4.7
139.65794	3.0
143.04903	3.7
145.06412	2.7
145.40747	3.3
146.03561	4.2
147.04411	2.9
147.53563	3.6
150.03137	2.9
151.00322	3.8
159.04372	5.7
161.05991	4.1
162.90878	3.1
171.04417	11.4
173.05991	7.5
174.03111	18.3
175.03943	10.4
183.04384	19.3
185.06000	5.9
187.03906	7.1
188.04709	46.0
189.05505	51.1
199.03931	38.8
201.05508	13.9
203.03511	7.5
203.07135	5.6
211.03952	58.3
212.04446	6.0
213.05513	11.3
215.03474	5.8
216.04207	3.8
217.05016	73.3
218.05315	6.4
219.06523	5.3
227.03452	26.4
228.04184	10.7
229.05063	36.9
231.06717	6.9
239.03419	12.2
241.04961	3.7
243.02951	8.3
243.14114	3.3
245.04524	16.7
247.06114	5.0
255.02951	6.5
257.04498	22.4
259.06125	4.6
261.03995	25.4
267.03000	5.1
271.02469	7.9
273.04071	23.1
275.05640	33.5
276.05963	4.0
285.04181	8.1
291.05051	5.6
299.01923	12.3
319.04489	11.0
333.02539	5.5
349.11603	3.8
365.05063	11.9
366.06259	3.9
409.04007	100.0
410.04205	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	407.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99685	1.0
70.44244	3.2
72.99164	1.6
75.20736	0.9
88.06461	0.8
88.56020	0.8
93.03349	1.1
101.03796	1.4
107.04926	0.9
121.02736	1.2
123.04392	1.6
125.02328	100.0
126.02691	2.1
151.00264	1.9
163.03777	1.0
185.81534	0.9
189.01839	2.3
191.03355	1.1
207.02895	1.6
259.06152	1.4
275.86255	1.0
301.07230	2.3
315.05099	7.2
317.06622	38.2
318.07016	2.8
327.05182	7.1
331.04605	12.5
332.05060	1.4
333.06119	3.2
345.06204	3.0
407.06149	88.9
408.06552	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	407.1347
Annotation	Ginkgolide A
Peak:m/z	Relative Intensity
58.00458	1.5
59.01248	11.0
66.37549	0.7
69.31165	2.2
69.31590	6.2
71.01254	4.4
72.99177	57.2
73.99559	0.8
75.00729	2.0
86.95299	0.8
87.00729	2.4
93.03331	61.5
94.03675	1.5
95.04902	6.5
96.95871	1.5
98.19816	1.8
99.00739	5.1
101.02260	1.1
103.00251	2.0
106.04147	2.0
107.04903	100.0
108.02042	1.2
108.05221	3.0
113.02315	1.1
119.04890	2.5
121.02794	1.1
121.06481	2.3
123.00772	5.1
123.04391	4.2
123.07991	1.6
125.02317	4.5
130.04112	0.9
131.04898	3.4
131.08571	2.1
132.02075	2.1
133.02838	8.9
134.03590	1.3
135.04416	17.7
138.71249	0.8
138.90143	1.0
139.00249	1.5
141.01822	1.0
147.04424	2.0
149.05978	11.7
151.00247	5.7
151.07541	8.4
161.04404	1.1
163.03876	3.0
165.05475	64.6
166.05803	2.4
175.03914	1.5
179.03448	4.7
181.04974	3.7
193.03307	1.5
193.04976	20.1
194.05319	0.9
204.12801	0.9
211.06021	3.9
255.04961	3.2
301.07086	1.4
317.06659	5.6
317.13992	1.2
320.07578	0.9
331.04523	1.0
331.11795	9.9
345.13507	6.9
346.13800	1.1
363.14401	1.0
407.06079	11.9
407.13406	87.0
408.08011	1.6
408.13687	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	407.0615
Annotation	Bazzania acid
Peak:m/z	Relative Intensity
54.60904	1.0
54.98029	1.1
58.00478	1.4
58.00949	1.0
59.01227	2.0
59.87162	0.9
67.01745	1.3
68.99686	5.2
71.44318	1.8
72.99178	27.2
75.00732	4.6
79.01750	2.1
87.00748	4.8
89.44405	0.9
93.03332	30.2
95.01272	3.5
97.02824	1.7
99.00746	3.1
103.00274	1.6
106.04083	1.9
107.04913	17.8
108.02088	1.2
119.04908	3.0
121.02847	2.0
123.00763	57.2
123.04375	1.4
124.01151	1.8
125.02353	2.9
133.02858	6.7
135.04401	25.1
139.00267	8.1
141.01817	10.9
147.04405	3.1
149.06006	7.0
151.00267	83.0
152.00624	1.8
163.03906	9.8
165.05479	46.9
169.01326	3.3
175.03922	5.4
179.03413	24.3
181.04984	36.1
182.05344	1.1
193.04987	17.7
194.05296	1.9
211.06079	7.4
255.05057	11.0
259.06042	3.0
297.69666	1.1
299.05731	1.4
301.07065	6.5
317.06625	54.1
318.07016	4.3
327.05380	1.5
331.04639	13.2
333.06137	5.2
345.06238	3.1
361.10895	1.4
371.04041	1.2
383.54761	1.2
389.05240	1.9
407.06174	100.0
408.06436	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	405.1184
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
56.38663	0.7
59.01248	13.2
63.67878	0.7
65.00195	0.9
65.03830	3.1
67.01757	1.3
68.99666	0.9
70.45512	1.6
70.45851	0.7
71.01250	3.2
72.99168	5.8
74.18296	0.6
74.99604	0.7
80.36275	0.8
83.01274	0.8
85.02843	0.8
87.97626	0.6
89.02320	1.2
91.01767	42.4
92.02097	1.4
93.03329	3.6
101.02327	1.7
103.00255	1.6
103.06023	0.6
107.04889	7.5
108.02039	2.9
109.02832	29.2
110.03130	0.7
113.02352	0.8
117.03336	1.4
118.03669	0.8
119.04861	0.6
121.02879	0.8
123.00773	1.0
123.04480	0.9
133.02847	1.5
135.00769	100.0
135.04382	1.7
136.01125	2.8
137.02312	3.9
139.30023	0.6
145.02859	5.9
146.03162	3.6
147.03351	2.4
149.02353	1.0
149.05969	1.0
151.00240	1.1
153.01833	90.3
154.02190	3.0
161.02336	0.8
161.04398	0.8
163.03949	1.7
165.05464	1.6
175.03903	4.1
177.01820	3.5
179.03375	0.7
189.01868	0.7
193.05005	1.3
197.06125	0.9
207.06551	1.0
243.06563	12.3
244.07024	1.4
267.06567	0.8
289.42999	0.6
296.87735	0.7
297.06140	13.0
298.06494	1.1
315.08850	2.1
405.04187	1.0
405.07907	1.6
405.11789	6.6
405.20877	5.9
406.12009	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1189
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.78061	1.0
59.01250	6.6
69.03324	67.1
71.01253	3.4
72.99173	7.6
73.02805	1.2
79.01747	8.2
81.03336	2.9
83.01271	1.7
85.02835	3.1
87.00733	1.2
89.02352	1.7
93.03337	7.8
95.01257	7.2
97.02822	40.8
101.02295	1.5
107.01266	32.6
107.04906	12.0
108.02061	9.4
109.02843	6.9
110.98590	0.9
113.02335	2.5
121.02830	5.4
121.62708	1.1
123.00781	13.6
125.02335	92.3
126.02655	3.6
133.02861	3.4
134.03603	1.4
135.00787	2.0
135.04410	5.3
136.01547	5.4
137.02383	5.3
149.02347	4.0
149.05989	1.5
150.03076	1.0
151.00272	69.8
152.00920	4.3
153.01845	18.4
161.04485	1.2
163.03911	9.6
165.05466	7.0
175.03922	1.6
177.01849	12.7
178.02151	1.2
179.03590	1.0
189.98741	1.0
191.03438	1.2
193.04979	2.3
197.05995	4.1
198.06779	1.1
207.02959	2.0
213.05426	1.3
242.05798	100.0
243.06554	50.4
244.06921	4.4
255.06718	1.2
285.07617	7.4
291.78891	0.9
297.06107	19.1
313.01590	1.0
315.08743	5.0
315.67422	1.1
329.06680	1.3
405.08047	5.7
405.12610	13.7
405.20569	1.4
406.12030	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	5.6
59.01247	41.6
65.99699	7.4
71.01237	40.7
72.99187	33.8
75.00735	5.2
76.40511	4.1
80.12936	3.9
82.02856	4.7
85.02830	14.5
87.00781	6.7
89.02315	10.4
100.98640	6.1
101.02296	11.8
102.99615	6.3
103.00243	74.8
106.58325	4.2
109.02805	18.5
110.91402	4.5
111.69784	4.9
112.42849	4.3
115.00253	45.9
123.00728	7.6
123.04398	12.3
125.02340	34.1
133.01311	100.0
135.04376	5.3
137.02312	7.7
145.02827	5.0
146.03648	4.8
146.99246	30.7
151.00241	10.4
151.03836	7.6
159.04433	9.7
161.04495	8.0
161.05846	4.5
163.03845	10.3
165.05481	4.5
173.06009	7.2
175.07555	7.5
185.05920	7.1
187.03943	7.0
187.07643	6.6
188.04643	6.4
189.05383	4.9
201.05408	7.3
203.07098	11.9
203.10605	4.7
205.08723	4.4
215.07111	8.9
217.08614	10.0
228.10263	6.8
229.08501	6.9
230.06839	6.0
230.08987	6.3
233.08202	7.1
243.06610	10.2
244.09761	9.1
245.08113	9.7
253.04993	5.4
257.04480	12.6
268.09656	6.9
271.06079	15.9
289.07199	37.7
315.05032	9.4
316.11932	5.4
332.11371	6.6
366.09329	8.4
405.04514	19.0
405.17136	8.7
406.11374	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0825
Annotation	5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
51.62526	1.9
59.01255	1.9
65.76682	1.8
68.99670	9.4
70.34495	3.5
70.34889	4.5
71.01273	2.3
72.99179	63.7
75.00758	3.3
76.98788	1.6
83.10473	1.4
87.00765	2.7
87.54726	1.5
91.00168	1.7
93.03334	58.6
94.63405	1.7
99.00748	4.1
99.85239	1.8
107.04903	100.0
108.05264	3.8
110.33150	1.7
110.59228	1.7
123.04429	2.7
131.04890	1.9
133.02855	5.4
135.04413	19.7
147.04398	2.6
149.06009	13.5
150.03111	3.9
152.23364	1.6
163.03925	3.5
165.05473	57.4
166.05885	2.2
175.03947	7.1
181.04948	2.9
191.95152	1.7
193.05014	22.6
195.06522	3.4
200.47440	1.6
211.06085	3.4
242.05804	7.9
257.08185	20.7
299.09100	9.0
301.07114	5.6
315.08719	53.6
315.12186	3.5
316.09152	5.2
325.07169	3.3
329.06577	13.2
343.08109	8.8
361.09412	2.7
405.08240	88.2
406.08832	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	403.1972
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01747	0.7
57.03301	1.0
57.03557	0.3
58.00456	1.0
59.01251	25.1
60.01576	0.3
62.06789	0.2
64.13593	0.2
67.24812	0.2
69.03315	1.2
71.01254	14.8
71.04895	2.0
71.07465	0.6
72.99163	0.9
73.02820	0.9
83.01250	1.2
85.02823	3.6
87.00767	0.3
89.02318	10.3
95.01252	1.6
99.00762	0.7
101.02316	9.3
101.14781	0.2
113.02326	4.7
113.29313	0.3
118.48654	0.3
119.03395	3.5
123.08056	1.8
125.02322	0.3
131.03419	0.3
163.11176	0.8
177.12755	0.5
179.14340	2.8
195.13765	0.4
197.15266	0.4
223.13338	16.4
224.13701	1.3
241.14375	2.3
292.97882	0.2
403.19702	100.0
404.20038	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	404.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41654	0.8
58.02849	10.6
59.01245	10.9
59.14988	1.0
70.02840	1.8
70.33962	1.1
70.34306	3.4
71.01249	8.4
71.37297	0.9
72.00761	1.4
72.99193	1.3
74.02341	17.3
80.24776	1.0
81.04465	0.9
82.02859	2.5
83.01233	1.3
84.04398	1.3
85.02835	1.7
86.02338	9.2
86.98942	1.5
87.00715	1.2
87.05502	6.2
88.03896	1.5
89.02312	10.7
90.00055	2.3
95.01237	2.3
97.03954	2.0
99.05511	17.7
100.05856	1.1
101.02314	5.8
101.07076	3.3
102.05489	2.0
102.07414	1.0
107.04859	1.7
107.06040	1.0
109.03934	3.5
110.02325	1.0
111.05548	1.6
112.03920	2.5
113.02335	4.0
113.03443	1.3
116.01633	1.8
119.03367	4.3
120.01102	1.3
123.00753	6.3
123.05482	1.4
124.03970	1.4
125.02326	0.9
125.03439	2.6
127.04993	3.4
128.03416	53.7
129.03708	1.4
131.04555	0.9
135.04443	1.9
135.05511	4.7
139.00264	1.0
139.08667	0.9
141.06584	4.5
141.09117	2.9
143.04515	71.2
144.04829	1.4
145.06055	3.3
146.04520	5.9
151.00266	5.6
153.06558	5.3
160.00638	21.1
161.04460	2.8
163.03882	2.5
166.09793	2.8
167.04492	4.4
167.08208	1.7
170.03265	2.1
177.03291	9.9
179.04494	12.8
179.05777	1.0
181.06178	1.2
185.05699	3.6
191.03322	1.9
197.05623	3.2
198.08769	1.9
210.08739	11.5
212.11446	1.1
213.03374	1.4
213.05415	2.3
218.82980	0.9
228.09755	1.2
242.07828	2.2
243.15822	5.2
254.07797	24.2
255.08162	1.1
257.04526	1.1
272.08868	35.8
273.09305	1.6
288.06561	13.5
306.07629	100.0
307.07910	7.7
315.04941	2.3
404.12543	3.7
405.04749	9.5
405.21371	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	403.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	1.7
57.03306	2.1
59.01252	77.7
67.01742	1.7
67.39588	1.4
69.03347	2.6
70.00224	1.3
70.11243	7.4
71.01249	26.5
72.99175	4.5
73.02803	5.2
79.01756	1.9
81.80496	1.5
83.01250	5.3
85.02807	11.6
87.00755	4.2
89.02302	11.5
93.10989	1.5
95.01251	4.3
96.95895	2.0
99.00744	2.9
101.02324	17.9
107.01260	2.6
109.06470	1.7
111.00787	3.3
113.02335	9.9
119.03353	3.7
120.03668	1.4
121.06480	4.9
123.00786	14.9
125.02324	13.1
131.03398	2.1
136.98761	1.4
139.00238	3.0
140.01050	3.5
141.01762	1.7
143.03473	1.6
145.06482	2.1
151.00250	11.2
157.96207	1.6
161.04465	4.8
161.09627	2.5
163.07538	5.1
168.00572	3.2
169.01331	16.5
179.10709	3.3
180.07811	3.9
181.08643	3.5
221.06595	1.4
223.75677	1.5
241.14343	2.3
289.94012	1.4
300.60556	1.5
306.07510	1.8
403.12146	40.2
403.16095	100.0
404.12543	5.2
404.16437	6.6
406.54254	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1606
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
55.01749	1.2
57.03316	1.4
57.06089	1.2
58.00446	1.6
58.02845	1.7
58.25322	1.0
59.01249	55.7
69.03323	1.3
69.86063	5.5
71.01247	17.1
72.70982	1.2
72.99200	1.7
73.02801	2.7
73.86103	0.9
74.02336	3.5
78.95757	1.5
83.01241	1.9
83.04853	1.2
85.02818	8.7
85.17799	1.0
86.02338	1.1
87.00765	1.8
87.27212	1.3
89.02317	13.9
95.04942	1.3
96.95883	5.1
96.96799	1.5
99.00743	2.0
99.05518	1.6
101.02322	13.1
107.04843	1.4
109.06459	5.9
113.02314	6.5
113.03514	1.2
119.03375	5.3
119.44155	1.0
123.07145	2.5
123.08041	44.2
124.08366	1.6
125.02316	2.5
128.03401	4.8
141.05453	2.6
143.04488	4.4
161.04430	3.0
161.09622	5.4
165.01836	1.4
167.07043	17.6
179.10686	1.8
181.08646	1.5
185.82892	1.3
223.09666	15.0
225.11238	3.7
237.42149	1.1
243.12309	1.8
254.07742	2.5
270.10669	1.0
272.08923	3.8
288.06580	1.4
306.07669	11.0
331.82040	1.2
345.80420	1.1
385.14999	4.6
403.16013	100.0
404.16446	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	403.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01750	1.0
57.03317	1.3
58.00454	0.3
59.01249	8.6
67.01751	1.1
68.99673	0.5
69.03325	0.9
69.60815	1.8
69.61221	0.5
71.01253	8.4
72.99167	0.8
73.02818	2.8
74.02328	1.0
74.85148	0.3
78.36666	0.2
78.95763	0.4
79.01757	1.2
80.82162	0.3
83.01248	1.8
85.02821	4.4
87.00765	0.6
89.02313	4.1
95.01264	2.9
97.02821	1.0
98.19782	0.4
99.00744	1.2
99.05502	0.6
101.02319	6.5
107.01269	3.6
109.99928	0.4
111.00143	0.3
111.00777	2.9
113.02320	3.5
119.03376	1.7
123.00764	18.3
123.08026	0.8
124.01557	1.3
125.02325	17.5
126.02645	0.7
127.00262	0.9
128.03435	1.9
136.98700	1.8
137.02315	0.5
139.00267	5.3
140.01060	4.8
141.01846	3.3
142.02126	0.3
143.03439	0.5
143.04514	2.8
151.00262	15.4
152.00552	0.6
153.01826	0.9
159.02969	0.3
160.00633	0.8
161.04437	0.6
161.09566	0.7
163.03888	0.7
164.08359	0.3
166.99734	0.4
168.00540	5.4
169.01324	25.4
170.01657	0.9
179.10663	3.1
180.11076	0.3
181.04999	0.5
198.08717	0.3
205.12227	0.8
210.08839	0.4
211.02393	1.5
211.13319	0.4
212.02682	0.3
215.91214	0.3
223.02377	0.3
223.13316	5.8
254.07843	0.7
271.04596	1.2
272.08838	1.1
288.06473	0.4
306.07544	2.5
313.05664	1.7
330.43088	0.3
338.83701	0.3
403.12408	100.0
404.12735	9.7
404.18127	0.3
412.23468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35210	0.4
52.72734	0.4
52.99751	0.4
55.01749	2.2
57.03327	3.8
58.00456	1.4
59.01248	24.0
68.20010	0.5
69.53531	3.5
70.00238	0.4
71.01249	19.8
72.99170	1.5
73.02819	4.6
73.15034	0.4
75.00723	0.6
83.01250	3.8
85.02817	9.6
87.00750	0.6
89.02312	7.7
95.01267	2.5
99.00789	2.1
101.02314	14.9
113.02322	7.4
119.03369	3.1
123.08048	2.6
125.02334	1.0
125.92595	0.5
127.35260	0.4
137.02281	0.4
159.02892	0.5
161.04482	1.5
161.09619	0.9
169.01338	0.7
177.12750	5.2
195.13803	2.6
215.50081	0.5
221.11751	4.0
239.12723	0.5
337.66736	0.4
401.18134	100.0
402.13837	0.4
402.18488	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2547
Annotation	Pterodontoside D
Peak:m/z	Relative Intensity
54.96707	0.5
55.01759	5.3
57.03325	4.9
58.00477	4.4
59.01250	81.7
60.01601	0.8
65.09180	0.5
69.03307	0.6
70.29577	0.5
71.01252	100.0
71.58086	0.7
72.01585	1.4
72.99182	15.3
73.02817	20.9
75.00766	1.7
81.56731	0.7
83.01255	12.6
84.02029	0.9
85.02822	37.5
86.03182	0.8
87.00750	5.8
89.02313	50.1
90.02635	1.2
90.26073	0.6
93.03325	1.0
95.01264	7.8
97.02838	1.8
99.00758	10.1
101.02321	78.3
102.02670	1.7
106.04092	0.7
107.04869	0.7
111.00787	1.4
113.02325	44.2
114.02665	0.9
117.03342	8.1
119.03386	23.3
119.04804	1.0
120.03761	0.7
121.02834	13.8
125.02348	1.9
129.01820	1.8
131.03421	2.1
135.04463	0.6
136.40402	0.6
139.00232	0.7
143.03395	6.4
145.02852	44.8
146.03201	2.0
149.04420	1.5
149.06024	0.6
157.08621	1.0
159.02892	8.7
161.04463	45.8
162.04799	1.4
163.03957	0.7
165.05516	2.6
179.03377	1.8
179.05545	2.8
181.06677	0.8
193.04984	1.5
204.23907	0.7
205.03494	2.4
221.19049	4.8
225.05605	1.3
239.20087	3.2
255.05161	2.1
309.10291	2.1
311.09357	1.9
313.07132	4.0
325.07385	0.9
341.10709	1.1
357.06259	1.6
389.34326	0.7
401.08722	14.5
401.25418	74.4
402.09204	1.7
402.25772	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	401.1814
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
51.18370	0.2
54.07008	0.3
55.01768	1.3
56.97024	0.2
57.03323	1.9
58.00465	0.7
58.21072	0.2
59.01250	17.1
69.06536	0.2
69.62666	1.7
69.63016	0.3
71.01253	14.5
72.99195	0.8
73.02820	4.3
75.00741	0.3
82.00600	0.3
83.01263	2.5
85.02824	6.1
85.99950	0.4
86.03135	0.2
86.71268	0.2
87.00745	0.8
89.02319	5.7
92.04628	0.2
94.84212	0.2
95.01247	1.4
97.02818	0.3
99.00738	1.2
101.02319	13.0
102.02636	0.3
113.01609	0.4
113.02329	5.2
119.03393	2.6
123.08047	1.9
125.02351	0.3
129.01828	0.4
148.02475	0.2
159.02893	0.4
161.04437	1.1
161.09631	0.4
177.12756	3.8
178.12877	0.3
179.07034	0.2
188.29730	0.2
195.13831	1.8
221.11790	3.6
231.83351	0.3
239.12753	0.4
261.22226	0.3
401.18143	100.0
402.18491	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.7
57.03323	15.7
58.27317	1.1
59.01248	16.6
69.03306	2.5
69.49538	5.0
69.49964	4.5
69.78936	1.0
71.01247	13.8
73.02811	3.0
81.03359	1.6
83.01224	1.1
83.04866	1.2
85.02824	6.9
89.02316	4.5
93.03362	1.5
95.04890	2.3
97.02806	2.0
101.02315	6.2
107.04903	2.4
109.06460	1.5
113.02271	5.8
119.03362	2.5
119.65955	1.1
121.06462	17.9
123.04385	1.5
123.08027	6.3
131.08543	5.2
133.06483	5.7
133.10115	1.4
135.04395	4.5
135.08044	5.6
141.09151	1.3
144.05711	19.9
148.05179	1.6
149.09612	37.7
150.09908	2.4
151.07538	10.9
151.11130	1.4
159.08047	10.4
160.08859	1.5
161.04485	4.1
161.05957	4.1
161.09627	3.3
163.07536	5.3
165.09018	1.4
173.06001	2.1
173.09572	2.5
175.11177	1.6
177.09119	100.0
178.09529	3.5
179.10678	6.9
187.07533	3.4
188.08311	8.5
191.10681	2.9
203.10716	21.9
205.08607	3.8
206.09412	2.5
221.11771	60.0
222.12090	3.1
239.12862	15.0
295.44760	1.1
364.19717	1.4
401.18176	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01743	0.5
57.03038	0.5
57.03320	9.3
58.94456	0.3
59.00944	0.6
59.01248	11.7
69.03315	1.1
69.65442	0.5
69.65845	1.6
71.01250	10.8
72.01584	0.3
72.99177	0.5
73.02824	2.1
79.05396	0.4
81.03333	0.7
83.01257	0.8
83.04895	0.8
85.02814	3.8
87.00747	0.9
87.60310	0.3
89.02311	3.9
93.03307	0.5
93.06996	0.4
95.01246	0.7
95.04901	1.3
97.02831	2.8
98.03622	0.4
98.19823	0.7
99.00767	0.9
101.02321	5.3
106.04117	0.6
107.04909	1.3
108.02068	0.9
109.06487	0.9
112.66609	0.4
113.02317	4.7
119.03384	1.3
119.08527	0.5
121.02826	0.6
121.05599	0.7
121.06476	13.5
122.03646	0.5
123.04398	1.1
123.08055	3.7
125.02352	0.4
125.05974	0.6
131.08546	3.0
133.06499	4.3
133.10130	1.1
134.07259	0.3
135.04395	2.7
135.08049	3.3
137.09662	0.4
139.07539	0.5
141.09109	1.1
143.03343	0.6
144.05708	11.2
145.02806	0.3
147.04390	0.8
147.08067	0.9
148.05162	0.9
149.05989	1.0
149.09619	23.1
150.09959	1.1
151.07553	6.8
153.09081	0.6
158.07341	0.8
159.02902	1.4
159.08067	9.8
160.08827	0.9
161.04460	8.1
161.05974	3.4
161.09616	2.7
162.04800	0.3
162.06755	1.0
163.07558	3.6
164.08240	0.5
165.09129	1.8
173.06000	1.3
173.09648	1.4
175.07509	0.3
175.11171	1.9
177.09120	100.0
178.09451	5.0
179.10718	3.3
180.11121	0.3
183.64816	0.3
184.04778	0.3
185.09648	0.7
187.07552	1.3
188.08330	5.4
189.08708	0.4
191.07042	0.7
191.10721	1.8
193.12332	0.7
195.10184	1.2
203.10703	18.4
204.11043	1.0
205.08623	3.4
206.09377	2.1
209.11760	1.4
221.11771	80.0
222.12114	5.4
239.12840	24.9
240.13156	1.9
254.17218	0.3
301.86905	0.3
317.74945	0.3
355.49109	0.4
401.10687	1.3
401.18256	5.6
402.18646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.145
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
52.55274	1.5
55.01758	4.6
57.03318	2.9
58.00476	2.4
59.01252	39.5
69.03315	1.5
70.87917	3.4
71.01250	70.1
72.99185	6.0
73.02812	23.7
75.00764	3.5
83.01247	8.4
85.02821	34.9
87.00763	5.3
89.02305	16.0
89.80942	1.4
95.01261	4.7
95.04883	3.4
97.02814	3.8
99.00753	15.5
101.02319	57.4
101.03008	3.0
103.00259	6.1
103.02490	1.4
107.04892	2.3
113.02332	27.0
115.03866	2.2
119.03422	4.1
123.04411	4.5
124.05399	2.0
125.02346	5.0
131.03412	3.1
137.02261	1.6
143.03397	3.6
159.02902	7.1
161.04462	46.8
161.05836	2.7
165.05415	2.3
177.09126	5.6
191.05472	1.9
219.10193	4.0
221.08156	3.3
233.06619	4.9
239.09230	2.6
269.10281	100.0
270.10675	6.9
276.88138	2.1
311.11270	1.8
383.09726	2.6
401.14545	86.3
402.14880	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	401.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13265	5.7
59.01243	68.9
65.28915	5.3
66.97631	5.6
70.32817	5.2
70.50578	4.7
70.76772	14.7
71.01256	63.0
72.99164	10.0
73.02808	8.2
78.47469	5.0
85.02814	10.6
87.00748	40.0
89.02310	80.5
101.02335	32.7
103.00235	16.4
107.04922	9.4
113.02344	27.7
113.96382	6.3
119.03371	20.8
142.05672	5.7
149.05936	10.2
161.04436	9.1
166.02635	6.3
168.41789	6.1
177.05515	12.2
179.03394	5.1
179.05507	30.4
179.06993	13.0
194.75591	6.6
203.03510	5.4
209.08058	6.2
246.54742	6.2
261.08224	6.0
265.07089	24.2
276.66956	5.4
341.10867	100.0
342.11185	9.7
401.10840	55.2
402.11200	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	401.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13319	1.4
53.30893	1.4
53.82813	1.3
58.00454	5.5
58.56824	1.5
59.01247	6.0
70.88359	2.5
70.88671	2.0
71.01241	2.5
72.99158	9.0
73.45123	1.4
78.75092	1.5
84.97808	1.4
87.00748	2.2
87.82657	1.5
93.03318	13.1
99.00748	1.8
103.00262	6.4
107.04900	12.7
108.02051	2.2
109.02836	3.9
110.26152	1.6
112.96326	1.5
112.98652	2.5
119.04912	53.8
120.05252	1.7
121.02865	1.7
123.04359	1.9
125.02345	1.6
131.04849	1.3
135.04416	4.2
141.01901	1.6
145.02858	5.8
146.86368	1.5
147.04408	5.5
149.06000	8.5
151.03918	1.9
163.03906	40.8
165.05476	100.0
165.50815	1.4
166.05801	4.2
175.03947	3.0
179.03453	4.2
181.04897	2.0
193.05029	13.5
193.75488	1.4
237.03957	4.3
255.05067	31.8
256.05438	1.9
308.48245	1.6
373.87115	1.5
401.11832	3.0
401.66891	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	401.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19852	1.6
54.47232	1.7
56.84970	1.8
58.00462	9.1
59.01252	2.3
62.64637	1.8
69.50244	12.8
93.03336	14.6
98.19820	4.2
103.00233	2.2
104.36383	2.1
107.04889	12.2
109.55897	2.1
112.98692	4.0
119.04916	59.9
120.05232	2.3
123.00758	1.8
125.02347	2.8
135.04422	4.4
147.04376	6.2
149.06021	9.2
151.00229	2.4
158.49214	1.8
163.03909	81.5
164.04198	4.0
165.05486	100.0
166.05817	5.5
168.00478	2.1
169.01347	4.4
175.03831	3.1
193.05003	12.2
209.04355	2.1
237.04016	4.1
261.35385	1.6
291.13147	1.8
401.14490	20.7
402.14734	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	401.0874
Annotation	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
54.76664	0.2
56.83899	0.2
58.00456	0.4
65.62345	0.2
69.53819	1.8
69.54133	0.5
70.72150	0.2
71.03658	0.2
71.68780	0.2
72.99179	14.8
73.99497	0.4
75.00739	0.4
81.10842	0.2
87.00709	0.4
90.34068	0.2
93.03331	1.6
93.09988	0.2
99.00771	0.3
106.04143	0.5
107.04926	1.7
117.03345	17.5
118.03704	0.4
119.04929	0.7
121.02819	0.5
133.02823	0.4
135.04410	0.7
145.02849	100.0
146.03191	4.1
146.22662	0.2
147.04404	0.6
149.05959	0.9
157.84317	0.2
165.05472	5.1
179.03416	3.2
193.04994	1.9
203.03458	0.2
211.06036	0.9
255.05061	5.0
256.05505	0.4
311.09174	2.8
325.07166	2.0
358.93634	0.2
401.08743	29.6
402.09018	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	401.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37203	1.3
58.00474	8.9
59.01250	2.2
70.12336	1.4
71.01252	1.6
77.32201	1.1
87.00755	1.1
93.03335	13.1
103.00240	2.6
107.04905	13.8
112.98682	4.0
119.04915	61.8
120.05247	3.1
121.02846	1.8
123.00834	1.9
123.82275	1.1
125.02361	2.8
127.87219	1.1
131.04906	2.0
135.04430	2.2
147.04393	6.3
149.05980	12.8
151.00298	1.1
163.03912	79.5
164.04292	3.2
165.05473	100.0
166.05762	5.4
169.01274	2.9
175.04057	1.3
193.04980	11.4
209.04501	3.7
237.04053	4.2
291.81604	1.1
326.28458	1.2
340.56943	1.3
350.89001	1.2
401.14496	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	401.0875
Annotation	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
59.01240	0.3
59.17558	0.3
66.73422	0.3
69.29462	0.8
69.29877	2.4
71.01254	0.3
72.99178	15.1
93.03328	1.7
97.82104	0.3
103.00280	0.3
106.04137	1.0
107.04902	1.1
117.03345	16.7
118.03654	0.4
119.04922	0.6
121.02849	0.8
123.07341	0.3
126.59682	0.3
133.02861	0.5
135.04372	1.0
145.02849	100.0
146.03186	4.4
147.04410	0.4
149.06000	0.5
163.03819	0.4
165.05470	2.6
175.03909	0.7
179.03415	2.9
193.04997	1.8
211.06062	1.1
255.05052	3.7
296.76657	0.3
311.09189	3.1
312.09653	0.4
325.07150	2.6
328.04941	0.3
401.08734	21.9
402.09079	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	3.3
56.87796	0.8
57.03325	7.6
58.00457	1.1
59.01248	30.2
59.33483	0.8
69.03317	0.7
69.37983	7.1
71.01250	42.3
72.99187	5.2
73.02427	1.2
73.02816	12.9
73.47262	0.8
75.00719	2.4
83.01247	6.8
85.02339	1.5
85.02821	21.0
85.99976	0.9
87.00758	6.9
87.44066	0.7
89.02316	16.1
95.01258	2.9
96.91164	0.8
97.02816	1.4
99.00769	8.2
101.02318	41.3
102.02628	0.9
103.00242	5.2
109.02839	0.9
109.06410	1.1
111.00742	1.7
113.02330	17.4
119.03396	4.9
121.02835	7.5
123.08012	2.3
125.02309	3.6
129.01837	1.5
141.01878	0.9
143.03404	2.0
144.64249	0.8
149.05943	0.8
151.11122	1.6
159.02882	3.5
161.02336	1.6
161.04456	30.2
162.04799	0.8
169.01305	1.4
175.03951	1.0
176.36911	0.8
179.05489	2.0
195.13806	5.5
206.65147	0.8
214.69110	0.8
219.10193	2.2
221.11752	1.1
239.12828	14.7
240.13072	1.0
251.11328	100.0
252.11783	5.6
381.11557	1.0
381.15897	1.8
385.62213	0.8
399.12354	12.1
399.16727	5.5
415.25098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61754	1.0
53.03368	0.9
53.41361	0.9
55.01743	3.5
57.03317	2.0
57.57258	0.9
58.00462	4.3
59.01246	100.0
60.01548	1.2
67.25333	0.9
68.99689	2.3
69.03310	5.7
71.01248	91.3
72.01539	1.0
72.99173	8.9
73.02817	17.0
75.00762	1.6
81.03326	4.2
83.01249	10.2
85.02817	19.7
87.00743	17.0
89.02312	74.6
90.02668	1.4
91.03886	2.3
95.01248	6.5
97.02826	16.2
98.19748	2.6
99.00748	5.8
101.02315	73.3
102.02680	1.4
103.03878	2.5
109.02827	2.0
111.00805	1.1
111.04401	5.1
113.02315	32.5
115.03873	2.1
119.03386	26.7
120.03674	1.0
121.02849	2.1
124.01567	1.6
125.02330	23.5
127.03886	1.4
131.03400	2.9
133.04984	5.9
137.02309	1.2
139.03879	3.8
141.01807	2.7
141.02945	1.0
143.03395	8.8
149.04391	2.6
161.04463	13.1
169.04900	2.6
171.02806	1.0
179.05472	6.2
185.04362	1.4
199.06042	1.6
201.17575	1.0
217.07202	3.4
221.06580	5.5
229.28864	1.3
235.08176	23.1
236.08537	1.3
245.06573	2.4
263.07596	2.2
277.09299	2.4
287.07669	2.3
305.08936	1.8
361.11359	2.4
379.12308	1.8
397.13474	81.6
398.13779	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	398.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74477	2.0
58.92413	2.5
59.01262	3.7
69.66203	14.3
71.01250	6.3
72.35713	1.9
72.99178	57.6
73.06150	1.9
75.00779	3.0
84.04440	2.4
86.02348	18.1
88.81295	1.9
93.03329	100.0
94.03612	2.6
96.02126	2.0
99.00765	7.6
100.03909	12.8
103.00245	19.6
107.04890	5.0
112.03920	25.9
123.04393	3.8
128.03418	11.0
133.02846	4.7
134.03619	3.9
135.04398	7.9
143.11414	2.0
146.68112	2.1
149.05980	8.7
160.04968	2.0
163.03865	2.4
165.05479	24.3
175.03925	3.6
179.03401	4.6
181.04976	5.1
187.07574	4.3
190.06261	5.0
193.05016	17.6
194.85612	2.3
199.07359	3.1
207.55281	2.1
215.82228	2.1
217.08614	5.4
219.10112	3.6
220.09848	3.5
221.08299	2.6
233.08211	3.5
255.05060	4.9
322.09488	5.3
367.10349	2.9
398.10895	92.1
399.11792	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	397.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00199	3.6
71.58518	4.2
73.73118	2.3
74.34128	2.4
78.95752	2.3
83.01233	5.0
88.18458	3.2
95.01286	3.3
103.00236	6.4
107.01259	7.9
108.02041	4.2
109.02833	27.0
110.00006	3.5
118.37041	2.3
121.02871	4.9
123.00767	6.6
125.02326	5.8
133.02882	4.0
135.00688	2.6
137.02338	72.6
139.00266	7.9
145.02835	3.6
148.01521	2.8
148.03922	2.9
148.05179	2.5
149.02316	5.1
151.00258	19.7
151.03874	3.1
153.01855	3.0
161.02335	21.0
163.00320	5.1
166.99748	7.0
169.01340	3.8
174.01700	2.2
174.56645	2.3
176.03391	4.3
177.01875	4.2
178.75232	2.1
178.99860	14.5
179.03415	100.0
180.04056	7.3
186.01848	3.0
195.02980	3.5
205.08476	3.3
214.01315	4.3
220.02521	4.1
233.98044	2.8
271.02893	4.9
273.04031	4.2
299.01926	5.9
300.02466	4.7
309.13394	6.8
311.02057	4.7
317.02930	11.8
339.03574	4.7
348.70273	3.2
352.04544	4.7
357.04727	10.0
370.05740	3.3
379.05670	11.0
397.06653	19.5
397.11395	36.3
398.07089	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	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01586	1.3
69.46532	4.1
71.01250	6.2
71.31514	0.5
72.99181	0.9
80.59280	0.5
85.02822	0.8
87.00787	0.6
89.02306	9.3
89.02819	0.7
101.02312	3.4
113.02319	2.7
116.52320	0.5
119.03374	4.0
125.58845	0.4
131.03384	0.6
147.92416	0.5
149.04518	0.5
161.04553	0.7
167.59402	0.5
178.20459	0.5
179.05568	1.6
183.02989	0.7
245.27690	0.5
368.02322	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56541	100.0
142.31001	73.3
144.45389	75.6
204.13049	60.8
221.74794	59.3
238.27710	69.7
249.82303	72.5
286.00922	60.2
345.10437	66.5
358.10956	68.4
369.77087	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	3.5
57.03325	3.3
58.00463	1.2
58.92260	0.3
59.01248	26.6
61.12714	0.3
69.03319	1.0
69.29843	2.9
71.01250	31.6
72.01587	0.7
72.99184	1.8
73.02816	16.3
75.00727	0.6
75.23304	0.3
81.03326	0.6
83.01253	14.1
83.04899	0.3
83.90154	0.3
85.02818	19.2
85.99972	1.0
87.00758	1.6
87.08008	0.8
89.02309	4.6
93.34556	0.3
95.01256	2.5
97.02806	1.7
99.00755	5.7
101.02318	43.7
102.02637	0.9
103.00204	0.8
103.03848	1.9
111.00753	1.2
113.02328	14.0
118.56265	0.3
119.03371	1.1
123.04488	0.3
125.02330	2.2
129.01813	1.4
135.53511	0.3
143.03375	1.6
145.04938	1.1
159.02907	2.8
161.04459	17.1
162.04742	0.6
163.06032	1.1
205.03488	0.7
208.69463	0.3
220.03625	0.3
229.07108	0.6
247.08165	0.8
249.13396	100.0
250.13734	5.3
293.12387	0.8
395.19193	28.2
396.19519	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	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01741	0.6
59.01249	100.0
60.01584	1.2
66.45617	0.4
68.99693	0.5
71.01248	11.4
71.58624	0.5
72.99178	3.2
73.02808	2.3
75.00760	0.5
76.61697	0.3
81.03318	0.5
83.01272	1.5
85.02828	4.4
87.00768	0.9
89.02316	5.3
93.03332	2.5
95.01286	1.2
99.00765	1.4
101.02318	8.0
107.01284	0.7
107.04905	2.5
109.02832	0.4
113.02325	4.6
119.03397	1.8
119.04942	0.4
123.00813	0.8
125.02334	1.0
133.02840	0.5
135.00783	1.1
135.04437	2.7
149.06009	1.0
159.02864	0.4
161.04468	5.0
163.03836	0.5
165.05490	4.4
179.03387	0.5
179.05495	0.5
179.62727	0.4
181.05006	1.4
193.05008	1.2
229.05058	2.1
243.06648	0.6
301.07178	3.1
302.07571	0.7
315.05344	0.6
331.17599	2.0
391.06592	6.8
391.19223	0.6
391.23584	4.1
392.07080	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	100.0
60.01578	1.2
67.01789	0.7
67.56439	0.7
68.99686	1.6
71.01261	6.4
71.44904	0.8
72.99189	4.0
73.02831	1.5
75.00784	0.8
81.03303	1.1
85.01365	0.7
85.02820	2.4
87.00747	2.4
89.02322	6.0
93.03333	11.0
95.01249	1.4
99.00790	1.0
101.02329	4.0
106.04103	1.4
107.01266	1.1
107.04897	13.8
108.02073	5.3
109.02839	7.7
113.02306	3.8
118.47932	0.7
119.03366	2.5
119.04884	1.2
123.00765	10.4
125.02321	2.3
133.02863	0.9
133.06483	4.9
134.03600	0.9
135.00739	2.9
135.04414	10.1
136.49774	0.7
137.02350	8.6
139.00218	1.1
141.01831	1.0
143.03362	0.9
147.04376	1.2
149.05972	8.1
151.00253	11.9
152.00526	0.8
159.04459	0.8
161.04439	1.6
163.03934	1.3
165.05481	6.8
175.03839	1.0
177.04263	0.8
177.05486	9.4
179.03368	13.1
179.05434	2.0
181.04982	2.7
193.04936	2.3
195.06529	2.5
203.03392	4.4
239.05573	9.5
256.00510	0.7
259.05942	1.1
281.06604	10.3
282.06967	1.1
285.07538	2.4
301.07162	11.9
302.07416	1.9
315.04919	2.0
317.06735	1.1
329.06403	2.7
331.04581	7.8
331.17438	0.7
355.04562	4.5
373.05576	1.5
391.06421	61.7
391.10330	6.7
392.06732	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0669
Annotation	5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone
Peak:m/z	Relative Intensity
59.01248	7.5
68.99680	7.3
69.25532	10.3
71.01236	2.2
72.99174	23.9
73.02795	1.0
75.00730	3.4
81.03326	4.6
87.00745	4.6
93.03329	28.3
94.03626	1.1
95.01245	2.0
95.86538	0.8
99.00749	3.3
103.00304	1.4
104.27551	0.8
106.04097	2.4
107.01259	6.0
107.04896	38.1
108.02068	0.9
108.05250	0.9
109.02805	3.6
110.34026	0.8
119.04906	3.5
121.02818	1.4
123.00766	7.3
123.04379	2.8
125.01435	1.8
125.02332	23.3
126.02711	1.0
131.04889	1.7
133.02829	3.7
134.03596	2.1
135.00760	18.0
135.04401	27.9
136.01144	1.2
147.04401	2.9
149.05969	11.4
151.00284	1.6
159.04303	1.1
163.03902	7.4
165.05467	47.7
166.05812	2.5
175.03961	5.5
177.05597	1.1
179.03421	8.4
181.04974	16.9
182.05293	1.3
186.87221	1.0
192.63647	0.8
193.04991	13.0
211.06094	4.4
240.70683	1.0
243.06509	8.1
244.07059	1.1
255.05014	1.3
256.96576	0.8
285.07687	8.2
286.08215	1.1
301.07153	43.1
302.07495	3.3
315.05011	12.3
317.06647	4.9
329.06729	5.7
331.04501	3.3
347.07632	1.0
355.04568	2.6
373.05765	1.6
391.06674	100.0
392.07065	12.1
394.93726	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0671
Annotation	5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone
Peak:m/z	Relative Intensity
50.41059	1.1
50.61556	1.1
58.00463	1.2
59.01249	11.4
59.48404	1.2
61.07424	1.0
68.99678	4.0
71.01244	5.3
71.58150	1.9
72.99178	31.1
73.02821	1.3
75.00731	3.4
81.03347	2.8
84.83907	1.4
85.02827	3.1
87.00758	4.0
89.02327	1.5
93.03332	31.8
95.01266	2.8
99.00737	3.6
100.98682	1.6
101.02322	1.5
103.00238	2.4
107.01270	4.4
107.04906	32.4
108.02100	1.7
108.05244	1.3
109.02827	16.6
113.02333	2.7
119.04932	3.4
121.02825	5.8
123.00739	2.8
123.04406	16.1
125.02325	7.4
125.83082	1.2
131.04918	1.6
133.02809	4.4
134.03696	1.6
135.00778	18.5
135.04408	25.0
136.04745	1.4
137.02371	1.3
146.99223	1.7
147.04407	3.4
149.02330	2.2
149.05994	8.7
151.03886	3.6
153.01834	2.2
158.85567	1.2
161.04347	1.3
163.03899	7.8
165.05479	41.5
166.05775	3.0
175.03960	3.6
177.79553	1.3
179.03430	8.0
181.04994	25.0
181.06535	2.5
193.05019	14.6
195.02824	2.4
197.04457	2.6
199.07455	1.3
209.04552	1.7
211.06079	5.2
243.06615	6.0
254.04271	2.0
255.05066	9.6
256.05423	1.6
271.04672	2.1
283.06039	1.4
285.07571	6.6
301.07184	49.5
302.07562	4.2
308.72729	1.3
311.05228	1.4
315.05038	11.9
317.06689	5.3
329.06625	3.8
373.05536	1.9
391.06696	100.0
391.19659	3.1
392.07095	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	389.1816
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.84116	0.4
57.03326	0.9
59.01246	5.1
60.03395	0.3
61.31123	0.3
67.52407	0.3
70.14320	1.4
70.97871	0.4
71.01248	3.4
73.02830	0.5
77.52506	0.4
85.02830	1.2
89.02313	3.0
93.03334	0.3
95.01251	0.6
97.06422	0.4
101.02331	2.1
111.08037	1.2
113.02322	3.5
119.03429	0.6
125.06963	0.3
143.03400	0.4
161.04424	0.7
165.12758	19.5
166.13116	0.9
179.05550	0.5
183.00900	0.4
183.13824	65.9
184.14168	3.9
197.15381	1.4
207.13762	1.8
209.11772	1.8
223.09613	0.4
225.14894	1.3
227.12834	100.0
228.13168	6.1
251.12794	4.0
269.13980	1.7
289.28687	0.4
291.07748	0.5
293.14059	0.8
389.18420	2.0
408.33121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72923	0.5
53.01336	0.5
59.01250	100.0
60.01576	1.0
66.53635	0.5
71.01256	2.4
71.22080	1.0
72.52200	0.5
74.02854	0.5
75.42595	0.5
85.02784	1.2
87.07586	0.5
89.02306	1.0
101.02338	1.1
113.02337	1.1
117.27926	0.5
119.03401	0.9
145.39673	0.5
161.04472	1.8
167.10686	39.5
168.10973	2.4
191.10745	0.6
200.15526	0.6
209.11852	0.6
317.06750	0.5
341.12085	0.5
348.61371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60030	7.1
59.01250	100.0
69.55603	6.7
69.98422	40.7
98.19859	11.2
111.41395	6.4
172.38242	6.6
227.60623	7.5
384.01144	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	389.124
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
53.75391	0.2
59.01255	1.6
69.47675	1.6
71.01248	1.4
72.99182	0.2
73.02812	0.4
77.28839	0.2
84.40141	0.2
85.02786	0.4
87.00740	0.4
89.02335	1.0
92.27990	0.2
93.03329	0.7
96.24566	0.2
101.02308	0.7
107.01295	0.2
107.04896	0.4
108.36242	0.2
113.02334	0.5
117.03365	0.4
119.04893	0.5
123.00783	0.4
125.02283	0.2
141.06989	1.0
142.88754	0.2
143.04916	7.8
144.05228	0.4
145.02805	0.6
148.01447	0.2
151.00276	0.3
157.06506	1.2
159.08054	2.5
160.08356	0.2
161.04514	0.5
163.09721	0.3
165.05472	0.3
168.05563	0.2
181.06485	0.9
182.07220	0.9
182.27632	0.2
183.08052	2.7
184.08362	0.2
185.06004	11.7
186.06317	0.7
195.25156	0.2
211.21019	0.2
225.05603	0.5
227.07085	100.0
228.07426	7.0
255.99162	0.2
317.06702	0.5
389.11731	0.7
389.21390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1815
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01756	1.0
57.03310	1.3
58.63994	0.6
59.01250	64.8
60.01559	0.7
71.01253	10.8
71.45061	0.8
73.02808	3.0
81.19862	0.6
83.01261	1.6
85.02815	5.3
85.99943	0.7
87.89862	0.6
89.02310	3.4
95.01251	0.8
99.00751	1.7
101.02319	8.3
113.02310	4.7
119.03356	1.7
123.35947	0.6
148.32558	0.6
161.04440	1.4
178.06059	0.6
227.12846	0.7
272.61130	0.5
288.80997	0.6
329.16068	0.8
371.17111	1.1
389.18149	100.0
390.18466	9.6
400.76474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1087
Annotation	Sagitol
Peak:m/z	Relative Intensity
55.01736	0.6
57.03312	0.6
59.01254	5.7
67.01756	1.3
68.87024	0.6
70.24357	2.3
71.01249	6.6
72.99158	1.1
73.02812	2.9
79.01736	1.4
83.01248	2.0
85.02808	4.7
87.00757	1.3
89.02354	1.0
95.01247	2.7
97.02811	1.0
101.02316	5.0
107.01273	4.1
111.00763	2.7
113.02285	3.8
123.00763	21.6
124.01564	1.2
125.02335	23.4
127.00177	0.7
135.04453	0.7
136.98682	2.3
139.00244	5.8
140.01048	5.3
141.01831	4.7
150.99120	1.1
151.00267	16.0
161.04477	0.7
168.00511	5.7
169.01334	24.7
170.01595	0.7
211.02370	1.0
249.83788	0.7
284.03824	0.7
313.05554	1.7
389.10858	100.0
390.11234	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36543	10.7
59.01245	100.0
71.01257	47.4
71.12447	29.6
72.34666	11.8
75.26720	12.1
81.01131	12.3
85.02814	17.3
86.84212	13.0
89.02322	51.4
101.02318	54.8
113.02341	23.3
123.28474	14.0
125.62904	13.0
140.46466	12.8
141.01532	24.3
167.32893	13.9
168.06149	14.2
170.34946	13.2
198.28473	11.9
225.14879	20.3
316.60724	14.3
380.75797	15.8
387.20392	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07457	0.9
54.33732	1.1
59.01241	4.5
61.22198	0.9
67.01746	2.3
68.99684	2.5
70.73797	3.2
71.01251	4.9
79.01768	4.3
87.00745	2.5
93.03333	55.0
94.03651	1.2
95.01273	5.2
95.41208	1.0
97.02841	1.7
97.89808	1.0
99.75846	0.9
103.00252	3.1
107.04896	4.5
112.98679	5.2
119.04935	1.5
121.02781	1.2
123.00764	67.1
124.01101	2.6
124.42846	0.9
125.02307	1.2
135.04414	18.1
139.00299	11.3
141.01834	10.0
147.04414	3.7
149.05991	2.7
151.00264	79.5
152.00598	1.9
165.05475	38.2
166.05756	2.2
169.01256	1.3
175.03900	2.4
227.07349	1.2
237.03941	2.1
247.13358	1.2
299.05530	4.1
301.07150	4.1
315.04681	1.2
317.06622	100.0
318.07019	9.5
327.05057	2.1
331.04681	1.5
371.03864	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24134	1.1
56.11227	1.2
59.01242	7.6
67.01765	2.9
68.99695	3.1
69.03326	1.5
70.15002	4.8
71.01265	7.0
74.94794	1.0
79.01777	4.4
87.00754	2.5
93.03333	70.0
94.03659	2.2
95.01275	5.0
97.02813	2.5
99.00723	1.2
101.02317	1.8
101.99433	1.2
103.00243	20.3
107.04887	6.1
109.02834	4.1
111.00742	1.1
112.98679	7.2
121.02776	1.9
121.06461	2.5
123.00758	71.6
123.04446	1.3
124.01099	1.9
125.02296	1.8
134.03615	1.2
135.04408	32.8
136.04761	1.3
137.02364	3.3
139.00253	12.8
141.01833	11.2
147.04405	3.8
149.05966	8.5
151.00269	82.2
151.03821	2.2
151.74686	1.1
152.00612	3.8
159.79849	1.1
163.03877	2.6
165.01842	3.8
165.05482	41.6
166.05882	1.2
169.01309	1.9
175.03908	3.4
179.03336	1.3
179.07034	14.4
180.04375	2.4
180.07825	31.9
181.08110	1.3
181.89128	1.0
194.05748	2.0
194.09407	1.6
195.06534	2.1
195.10245	3.7
195.20164	1.0
203.03209	2.8
208.07405	6.9
212.06870	1.9
222.08743	1.5
223.09703	47.2
224.10103	1.2
226.08334	3.9
247.02187	3.8
291.01190	1.2
299.05612	3.7
301.07214	3.9
317.06631	100.0
318.06970	10.4
327.05316	2.2
331.04749	1.4
341.10287	1.6
345.13135	1.4
361.16455	3.4
389.16028	3.7
389.25320	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.7
57.03320	0.8
58.00467	1.0
59.01250	100.0
60.01579	1.4
65.79778	0.4
69.49641	1.2
69.50050	3.2
71.01251	18.5
72.01563	0.5
72.99180	2.0
73.02824	1.1
83.01279	1.2
85.02814	3.5
89.02316	19.0
95.01268	1.4
98.19843	1.0
99.00730	0.7
99.92565	0.5
101.02319	11.4
109.06438	0.5
113.02320	7.1
119.03381	6.5
125.02324	0.6
131.03400	0.7
131.19948	0.5
143.03400	0.8
161.04437	0.7
163.11194	18.5
164.11543	1.1
179.05563	0.6
207.10225	3.7
210.31027	0.5
225.11325	1.3
351.85260	0.5
369.15247	0.6
387.16571	88.8
388.16925	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	387.1657
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
51.14006	0.7
58.00458	0.9
59.01249	100.0
60.01603	0.8
69.65807	2.2
69.66228	1.9
71.01250	18.0
72.99180	1.6
73.02827	0.9
73.53165	0.6
74.67977	0.7
75.97506	0.6
83.01263	1.5
84.13906	0.6
85.02808	4.4
89.02315	17.1
90.15984	0.6
95.01266	1.5
97.19012	0.7
101.02324	13.0
113.02328	7.4
119.03381	5.2
153.19183	0.6
163.11221	6.4
195.51123	0.7
207.10207	10.1
208.10594	0.8
272.61526	0.6
320.26730	0.7
387.16595	47.6
388.17007	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32943	0.5
54.32090	0.4
55.01755	2.1
57.03040	0.9
57.03319	17.9
58.00453	0.8
59.01249	13.4
65.01506	0.4
69.03325	2.1
71.01253	21.6
71.04886	3.6
71.43849	0.9
72.99170	1.1
73.02815	6.0
78.51750	0.5
83.01250	2.4
83.04872	1.0
85.02818	10.1
85.22191	0.5
87.00725	0.9
89.02300	5.8
95.01245	1.8
97.02823	1.0
97.06490	0.7
99.00755	2.1
101.02314	12.2
106.03677	0.5
109.06458	1.9
113.02328	9.3
119.03368	2.3
121.06466	1.6
121.10110	1.3
123.08043	4.8
125.09584	0.8
135.04404	0.7
135.08096	0.6
137.09610	11.8
143.03377	0.7
151.07553	1.0
151.11189	5.4
153.09090	0.6
153.12744	7.2
159.02873	1.7
161.03181	0.8
161.04451	9.3
163.11160	4.6
177.12755	0.5
179.10573	0.7
179.14316	1.7
181.12225	4.3
181.46591	0.4
189.12772	0.8
191.10724	0.6
195.13823	11.4
196.14175	0.8
197.15401	11.6
198.15720	0.8
205.12259	0.8
207.13826	8.4
208.14194	0.9
225.14893	100.0
226.15216	6.2
241.14473	0.6
267.52426	0.5
298.01297	0.4
334.60687	0.5
387.12277	0.6
387.20227	10.3
388.20352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.5
58.00465	1.1
59.01249	68.0
60.01596	0.8
61.78373	0.3
61.98695	1.8
71.01251	14.3
71.05983	0.8
71.49879	0.3
72.99158	1.7
73.02809	0.6
78.46738	0.3
83.01257	1.3
85.02817	2.8
87.00740	0.4
88.46236	0.3
89.02312	13.4
89.87791	0.3
93.03352	0.3
95.01270	1.3
95.04912	0.4
96.95915	0.5
99.00738	0.5
101.02322	9.5
113.02321	6.2
119.03378	4.9
143.03358	0.6
147.08067	0.9
149.04436	0.4
161.04446	0.5
163.03920	0.6
163.11189	36.4
164.11548	2.4
179.05530	0.8
207.10228	1.4
209.11844	0.4
225.11180	0.5
304.93311	0.3
369.15326	0.8
387.16583	100.0
388.16931	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	387.1448
Annotation	Renealtin B
Peak:m/z	Relative Intensity
57.03307	1.9
57.20093	0.6
59.01247	1.0
62.49860	0.6
63.06565	0.6
69.19946	0.6
69.29119	6.5
81.03334	2.4
83.01244	3.7
88.23513	0.7
93.03321	1.2
95.04904	4.3
97.02830	9.0
107.90280	0.5
108.02016	1.1
109.02832	31.8
110.03220	0.6
113.44544	0.6
119.04842	1.0
121.02832	3.3
122.03628	1.3
123.04406	20.8
124.04779	0.7
125.02325	20.2
126.02660	0.9
133.02814	0.8
135.04396	2.8
137.02351	11.0
137.05957	0.7
137.09740	0.7
138.03069	1.3
139.03917	4.9
139.27339	0.6
145.02846	1.4
146.03603	2.1
147.04404	0.9
149.02351	7.4
150.03114	1.3
151.02769	0.6
151.03902	12.0
157.06509	0.9
159.04407	3.3
160.05141	1.9
161.02327	2.0
161.05994	8.4
161.93620	0.7
162.03107	3.4
163.03879	1.3
164.01039	3.9
165.01837	5.4
165.05498	1.1
166.02682	0.7
167.03418	2.4
173.05994	1.4
174.03062	1.0
175.02458	1.5
175.03922	2.6
175.07547	1.7
177.05528	1.5
179.03403	8.2
179.07056	2.1
185.05911	1.2
187.03902	6.9
188.04680	5.8
191.07022	1.9
193.08607	0.7
199.07527	1.1
201.05501	0.8
202.06273	2.9
203.07071	20.4
205.03069	0.7
205.04996	15.1
212.04800	0.8
217.08580	1.1
219.06573	1.0
221.08118	4.4
227.07089	2.8
230.05661	1.0
231.02995	1.3
233.08063	1.2
245.08145	26.1
246.08464	1.6
247.06035	2.6
257.11731	0.9
271.06076	0.7
289.07162	100.0
290.07480	6.7
299.12897	3.4
343.11816	14.0
343.15808	1.0
344.12094	1.5
351.12665	0.6
369.13409	1.1
387.14474	44.2
388.14655	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	3.2
59.01270	2.5
69.03333	1.1
69.38434	6.2
71.01278	2.0
81.03326	3.1
83.01254	5.5
89.02300	1.0
92.54176	0.6
93.03345	1.3
95.01273	1.1
95.04920	4.9
97.02827	9.0
98.20538	1.2
101.02338	0.9
105.35320	0.7
108.02077	1.5
109.02831	30.6
110.03161	1.1
114.46558	0.6
115.00243	1.0
121.02847	4.6
122.03636	1.6
123.00769	1.4
123.04414	19.4
125.02333	18.4
135.04410	2.7
135.08008	0.7
137.02347	11.2
139.03871	3.8
143.04861	0.6
144.85555	0.6
145.02863	2.0
146.03656	2.2
147.04388	0.7
149.02341	6.6
150.03171	1.3
151.00279	0.7
151.03920	11.5
153.28792	0.6
159.04395	3.6
160.05215	1.3
161.02376	1.8
161.06001	6.9
162.03090	2.6
163.03931	2.7
164.01068	4.7
165.01854	4.8
166.02582	0.8
167.03418	1.9
175.02478	1.5
175.03934	2.4
175.07526	1.6
177.05527	2.2
179.03409	7.6
179.07092	2.8
185.06021	1.3
187.03922	5.0
188.04697	5.3
191.07037	1.0
197.94315	0.7
201.05547	1.2
202.06319	2.5
203.07069	18.1
204.07448	1.4
205.03091	0.9
205.04990	13.3
206.05331	1.2
219.06645	1.1
221.08203	4.2
227.06978	2.9
230.05844	2.0
231.02957	1.3
245.08153	21.7
246.08505	1.2
247.06139	2.4
257.11765	1.0
266.32468	0.6
271.02438	1.0
271.06128	1.0
289.07169	100.0
290.07523	7.5
299.01910	1.4
299.12918	1.9
300.02350	0.7
343.11874	13.2
343.15808	1.4
344.12143	1.5
369.13275	0.7
380.34824	0.7
387.14438	46.8
388.14697	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	385.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	2.5
58.00460	1.6
59.01248	41.1
67.32079	0.9
69.65345	5.2
71.00851	1.3
71.01247	24.8
72.99186	3.4
73.02821	1.4
81.03326	1.2
83.01282	2.6
85.02820	5.9
85.20033	1.0
87.00751	1.8
87.81730	1.0
89.02310	25.5
89.02829	1.8
95.01267	2.3
97.02839	1.3
101.02332	12.6
107.04875	1.4
113.02319	14.6
119.03369	8.1
120.05678	5.1
121.02834	2.3
122.03597	1.7
125.02325	5.6
125.05946	1.2
133.10097	5.3
135.04425	1.5
135.11687	16.5
137.02332	12.7
139.03876	1.2
143.03410	1.2
143.08548	1.9
146.07288	4.9
149.09616	3.2
150.03099	1.6
151.51599	1.1
152.04666	1.7
152.90318	1.2
159.08066	1.9
159.11671	3.8
161.04478	2.9
161.09621	44.7
161.26788	1.1
162.09949	2.1
163.03923	1.9
164.01048	2.5
165.01820	5.0
167.03406	1.4
168.89833	1.1
179.03407	4.5
179.05501	3.7
179.10683	100.0
180.11041	4.7
182.39148	1.0
193.12251	1.4
200.14104	1.0
203.07111	1.7
203.08929	1.8
203.10701	13.6
204.11009	1.2
205.08609	1.6
212.32635	1.0
214.12442	1.0
221.11806	4.1
223.09700	56.7
224.10033	3.9
229.08688	2.0
247.09746	3.4
260.10052	1.0
265.10745	3.0
299.12805	1.6
367.11804	1.5
385.12344	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.4
59.01234	2.6
61.34356	0.5
61.79054	0.5
69.03350	0.5
69.29372	3.3
69.29795	2.3
70.51923	0.5
71.01257	1.5
77.91054	0.6
81.03331	2.0
83.01262	4.1
85.02823	0.8
89.02295	0.9
93.03337	1.6
95.01267	0.8
95.04896	3.9
97.02821	8.2
99.04369	0.8
101.02322	1.5
108.02074	1.1
109.02831	30.2
110.03161	0.9
119.04784	0.5
121.02835	4.4
122.03606	1.5
123.00750	0.7
123.04408	19.6
123.05295	1.2
124.04768	0.8
125.02327	18.1
135.04369	2.9
135.07977	0.6
137.02339	10.9
137.05925	0.8
138.02985	0.7
139.03888	4.1
145.02856	2.1
146.03613	1.6
147.04445	0.9
147.08002	0.7
149.02330	6.2
149.05923	0.8
150.03105	2.0
151.03903	11.7
159.04407	3.2
160.05164	1.6
161.02348	2.2
161.05984	7.2
162.03088	2.9
163.03888	2.0
163.99861	0.6
164.01050	3.3
165.01799	5.0
166.02541	0.7
167.03418	2.0
169.01347	0.9
173.05989	0.7
175.03912	2.6
175.07562	2.1
177.05428	1.4
179.03423	6.9
179.07053	1.9
180.03879	0.7
183.02890	0.5
185.06009	1.0
187.03912	6.7
188.04710	4.7
191.07034	1.7
199.07462	0.7
201.09065	0.7
202.06320	2.7
203.03316	0.6
203.07065	18.3
204.07414	0.7
205.04982	13.1
206.05293	0.8
212.04828	0.6
217.08627	1.5
219.06549	1.4
221.08124	4.7
225.11243	0.7
227.07150	2.8
229.04982	0.7
230.05852	0.9
231.02914	2.0
233.08203	1.1
245.08154	23.3
246.08449	1.6
247.06122	2.5
271.02420	0.9
271.06091	0.7
289.07162	100.0
290.07489	7.0
298.04031	0.6
299.01923	1.5
299.12863	2.1
338.61386	0.7
342.11328	0.5
343.11850	14.0
343.15918	1.0
344.12012	0.8
369.13400	1.3
387.14450	44.2
388.14703	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	385.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03306	2.2
58.00466	2.4
58.10558	1.2
59.01247	35.1
69.25658	13.8
71.00892	2.1
71.01251	27.9
72.99178	43.8
73.02842	1.9
75.00726	3.1
81.03326	1.9
83.01237	3.0
83.17685	1.2
85.02812	6.2
87.00748	2.0
89.02315	27.5
90.48472	1.1
90.58196	1.3
90.86938	1.4
93.03321	4.7
95.01244	3.6
95.04867	2.3
95.09055	1.2
97.06477	8.6
98.20542	3.1
99.00746	3.1
101.02323	12.8
103.00235	4.7
107.04897	10.5
108.02070	9.2
109.02835	7.2
112.05172	4.2
113.02319	12.0
117.92697	1.4
119.03378	7.5
120.05659	3.4
121.02834	52.4
121.10081	1.7
122.03654	8.5
123.04387	6.4
125.02315	8.2
133.10117	3.6
134.85867	1.3
135.04411	9.9
135.11685	16.0
137.02344	17.3
143.03262	1.7
143.08554	1.8
145.02812	2.3
146.03629	4.8
146.07233	4.1
147.00774	2.8
147.04277	1.4
149.02293	1.6
149.04434	1.5
150.03127	2.4
151.03874	4.0
152.04482	1.3
154.02675	1.2
159.08070	1.7
159.11665	4.2
161.02327	4.2
161.04471	1.6
161.09621	38.3
162.09947	2.5
163.03900	13.1
164.01057	3.0
164.04623	4.8
165.01855	8.5
167.03407	6.1
173.05888	1.9
175.03891	1.9
175.07480	4.4
179.03421	51.2
179.05235	2.5
179.10681	89.1
180.04169	9.8
180.11078	6.3
181.04831	2.6
187.07582	2.0
189.01805	3.1
193.12207	1.7
196.23349	1.4
201.09108	4.1
203.10736	12.2
204.04182	1.7
205.08591	1.9
207.02925	7.0
208.03693	5.0
217.08611	3.3
219.10234	1.8
221.11708	3.8
223.09685	47.7
224.10019	2.5
229.08627	5.0
247.09740	3.1
265.10818	2.8
277.10797	10.0
294.09091	1.4
305.10272	4.3
309.09827	6.4
323.11908	2.8
331.97742	1.2
367.10947	10.9
385.11337	100.0
386.11664	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	385.1289
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
51.13862	1.1
57.03316	12.9
59.01245	4.0
65.40480	1.2
67.01762	1.6
69.03331	2.8
70.97295	1.3
70.97606	1.9
71.01260	2.5
72.99183	4.7
77.03857	1.5
78.55332	1.1
81.03335	8.0
83.01247	12.1
89.02359	1.1
93.03330	3.6
95.01238	2.0
95.04901	6.6
97.02822	10.9
97.06509	1.7
99.04424	4.6
101.02397	1.3
107.04921	3.4
108.02053	3.1
109.02821	8.4
109.93757	1.2
113.02311	1.8
121.02824	13.5
122.03654	6.0
123.00813	1.5
123.04420	6.4
124.01545	3.1
125.02329	70.6
126.02666	3.2
131.04913	2.4
133.02934	1.2
135.04434	5.0
137.02332	100.0
137.05954	2.1
138.02832	3.7
139.03905	5.1
145.06497	1.5
146.03618	20.7
146.04648	1.8
147.04416	2.2
149.02348	2.0
149.06009	3.8
150.03108	2.9
151.03908	5.5
157.06604	1.2
158.03674	1.6
158.06905	1.2
159.04404	8.1
161.02422	1.9
161.06067	2.9
161.09680	2.1
162.03128	1.6
163.00302	1.3
163.03914	2.8
163.57547	1.3
164.01051	30.8
164.02328	2.0
165.01833	79.5
166.02225	4.5
167.03404	41.4
168.03783	2.5
172.05217	6.1
173.05981	16.2
174.03130	12.3
174.06769	7.6
175.03978	5.4
175.07544	40.9
176.04666	9.9
176.08014	3.2
177.01839	11.7
177.04997	1.4
179.03403	28.7
179.10709	6.6
180.04048	2.2
181.04990	1.7
183.99088	1.1
185.06007	2.0
186.06725	2.6
187.03915	5.5
187.07539	10.0
188.04733	3.5
188.08261	1.5
189.05397	1.9
189.09087	6.0
190.02689	5.1
191.03343	2.6
191.07076	2.2
196.05196	1.7
199.07625	2.7
200.04721	8.3
200.08119	1.2
201.05528	4.3
201.09131	8.4
202.06279	3.7
203.07054	19.5
204.04138	5.5
204.07622	2.4
205.08641	10.6
211.03940	2.4
211.07571	2.1
212.04706	2.8
213.05588	1.2
213.09227	3.2
214.06427	1.6
215.07079	3.3
216.07910	1.8
217.08632	16.1
219.10185	2.6
223.09714	3.4
225.05580	4.4
226.06326	4.1
227.07005	2.5
229.08652	35.7
230.09119	3.5
239.07193	2.3
239.10724	6.5
240.07884	1.7
241.08557	6.4
242.09401	1.5
244.07484	1.8
247.09711	11.9
251.07193	2.4
252.07918	1.9
254.05725	1.4
254.09610	2.2
255.10129	6.6
257.07968	1.2
257.11835	3.1
265.08740	3.5
268.07355	5.3
269.08154	1.8
270.08920	1.5
273.11404	3.2
279.10260	2.6
281.11740	8.8
283.09659	6.3
294.08954	3.1
295.09772	2.3
296.06964	1.5
297.11295	6.5
299.12778	9.1
300.13272	1.3
301.10767	2.7
305.11804	1.5
323.12836	29.1
324.13409	3.6
325.10834	2.9
341.10281	2.8
341.13968	5.9
349.10910	2.8
367.11798	77.3
368.12140	8.3
385.12851	41.3
386.13168	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1293
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
50.43430	1.1
54.38785	1.1
57.03323	10.4
59.01249	40.8
61.14476	1.3
67.01746	1.6
69.03320	2.8
69.35586	6.8
69.36005	4.0
71.01246	4.1
72.99185	2.9
79.63535	1.2
81.03326	8.3
83.01247	10.0
93.03323	4.0
95.01270	2.1
95.04883	5.8
97.02822	8.4
97.06443	2.1
99.04391	3.5
101.02336	3.6
107.04924	3.2
108.02056	1.5
109.02836	7.8
119.04900	2.0
121.02843	9.4
122.03658	6.7
123.04408	6.4
124.01567	2.8
125.02330	69.8
126.02682	1.8
131.04875	1.4
135.04411	3.1
135.29701	1.3
137.02336	100.0
138.02983	1.8
139.03897	2.8
145.06560	1.4
146.03638	19.2
147.04375	2.7
148.05231	4.6
149.02324	3.3
149.05977	4.6
150.03110	6.3
151.03896	7.8
154.02669	1.3
159.04431	7.4
160.05222	1.8
161.02348	3.3
161.04471	3.5
161.05991	3.5
163.03914	2.4
163.07582	5.5
164.01060	27.3
165.01840	74.4
166.02277	3.6
167.03404	34.2
172.05182	4.3
173.05997	17.1
174.03136	10.7
174.06853	7.8
175.02518	1.2
175.03899	6.0
175.07550	38.2
175.09003	2.5
176.04707	9.1
176.07945	2.0
177.01868	12.1
177.03358	1.9
177.09009	1.8
179.03419	22.0
179.06978	1.2
179.10696	2.2
180.03864	1.6
185.06059	2.5
186.06798	2.7
187.03931	5.0
187.07507	7.4
188.04712	3.9
189.05501	4.2
189.09117	5.2
190.02672	5.1
190.06230	2.0
191.03487	3.2
191.07132	2.9
197.05998	1.3
199.07619	1.8
200.04729	7.9
201.05501	4.7
201.09114	8.8
202.06285	3.9
203.07079	19.4
204.04170	3.1
204.07852	1.6
205.08678	8.8
211.03970	1.9
211.07541	1.7
212.04684	2.2
213.09218	2.0
213.68047	1.5
215.07080	3.3
216.07947	2.3
217.04941	1.7
217.08623	11.4
219.06505	1.7
223.09663	2.8
225.05554	4.0
226.06238	2.9
227.07047	3.4
229.08627	30.0
230.08939	2.8
237.09296	1.6
239.07222	2.3
239.10774	3.7
240.07884	2.2
241.08646	5.9
244.07408	2.1
247.09692	12.8
248.81790	1.3
251.07068	2.0
251.47458	1.5
252.08003	1.6
253.08496	1.7
254.09506	1.5
255.10143	6.6
257.11795	4.1
265.08603	2.5
268.07397	3.3
270.09042	3.2
273.11383	2.9
279.10403	1.8
281.11786	6.6
283.09760	4.9
284.10333	1.9
287.05707	1.7
288.06152	1.9
294.08963	3.9
295.09628	1.3
297.11176	6.4
299.12943	9.8
301.10794	1.6
323.12872	26.4
324.13177	2.5
325.10660	2.4
341.10223	3.1
341.14005	6.3
349.10791	3.1
367.11823	63.6
368.12073	8.0
385.12900	43.3
386.13092	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	385.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90101	0.4
57.03304	0.5
57.44011	0.3
57.74697	0.4
58.00461	6.9
59.01239	1.7
69.31137	3.9
71.01244	0.8
72.99191	0.4
83.01260	1.2
87.00755	1.6
93.03332	13.3
94.03642	0.5
96.19564	0.4
98.20493	0.9
103.00229	2.1
106.04124	0.7
107.04900	10.1
109.02843	1.2
112.98672	3.9
119.04916	5.5
121.02824	1.6
122.03638	0.9
123.04365	0.4
124.01565	0.4
125.02325	2.0
131.04933	1.7
133.02823	0.5
135.04381	2.0
137.02333	10.7
137.06010	1.1
137.72957	0.3
147.04408	12.0
149.02307	0.9
149.05980	9.4
149.07167	0.5
150.03123	1.7
151.03949	0.7
161.02319	0.5
163.03891	2.7
164.00961	0.6
165.01842	4.7
165.05475	100.0
166.05800	5.0
175.03923	2.3
179.03380	1.2
193.04974	12.0
201.09175	0.7
209.04509	3.2
219.02959	0.5
233.99724	0.5
237.04025	4.8
241.04932	0.5
259.06342	0.4
287.05597	1.0
288.06396	1.7
335.90308	0.4
385.12952	2.5
386.13297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1292
Annotation	(3R)-5,7,2',3'-Tetrahydroxy-4'-methoxy-5'-prenylisoflavanone
Peak:m/z	Relative Intensity
57.03330	12.0
57.51497	1.6
59.01252	5.1
69.03323	5.0
69.64625	12.4
71.01266	2.1
74.29322	1.6
81.03327	8.8
81.05696	1.7
83.01259	13.2
85.02821	2.1
89.02316	2.6
93.03374	3.9
95.04901	5.2
97.02824	8.7
98.20582	2.0
99.04399	5.2
101.02364	1.9
107.04926	3.3
109.02832	8.6
113.02307	2.1
121.02825	8.7
122.03636	5.0
123.04421	4.2
124.01553	4.0
125.02342	77.0
135.04401	4.4
135.11694	1.8
137.02345	100.0
138.02722	3.0
139.03889	4.9
146.03642	20.6
149.06020	4.9
150.03093	4.7
151.03918	8.9
157.06525	2.3
159.04463	5.1
161.02429	3.6
161.05986	3.2
161.09610	2.9
163.04051	2.1
164.01062	28.4
165.01849	83.0
166.02246	3.6
167.03410	40.2
172.05240	5.8
173.06004	16.7
174.03116	9.3
174.06750	5.6
175.03928	4.2
175.07559	44.5
176.04745	9.3
177.01857	13.0
179.03426	19.8
179.10667	8.6
181.04984	2.2
185.05923	2.5
186.06741	2.0
187.03932	4.0
187.07620	10.6
188.04686	4.1
188.08113	2.3
189.05453	3.0
189.09132	5.8
190.02623	6.5
191.03418	4.5
199.07634	2.4
200.04764	7.5
201.05489	5.9
201.09164	8.7
202.06270	3.7
203.07072	16.6
203.10738	2.9
204.04164	4.1
205.08612	10.9
211.03825	2.0
211.07588	2.4
212.04778	2.6
213.09143	2.9
215.07051	3.2
216.07803	2.2
217.08658	18.4
219.10217	2.7
223.07732	2.8
223.09804	5.4
225.05611	4.0
226.06316	3.3
229.08652	35.2
230.08794	2.2
239.07117	4.7
239.10783	3.8
241.08653	6.3
245.08177	1.8
247.09752	11.2
251.06960	1.9
252.07848	2.5
255.10271	7.3
257.11868	5.3
268.07388	4.4
270.09024	2.0
273.11456	2.4
281.11685	9.7
283.09683	7.3
284.10382	2.1
288.06363	1.9
289.09735	2.3
294.08905	5.0
297.11353	7.7
299.12961	11.0
301.11102	2.6
323.12888	32.7
324.13153	3.9
341.10272	2.8
341.13940	6.0
367.11813	81.8
368.12247	8.0
385.12961	42.6
386.13089	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	385.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03656	0.8
57.03319	1.4
58.00453	9.1
59.01236	2.8
69.03323	2.2
69.62314	1.9
69.62723	4.2
71.01247	1.4
71.77194	0.9
72.99175	6.7
83.01248	3.1
87.00737	1.2
91.05396	7.5
93.03324	14.1
98.82024	0.9
103.00233	2.8
107.04900	10.7
108.01986	1.1
109.02786	2.8
112.98672	2.8
115.05395	3.1
116.55013	0.8
117.03320	1.7
119.04050	2.0
119.04903	40.0
120.05184	1.2
121.02823	3.6
122.03589	1.7
123.04350	1.1
125.02353	4.5
131.04919	10.2
131.91457	0.9
133.06497	7.0
135.04399	3.2
137.01385	1.6
137.02342	23.7
137.05980	1.0
145.02802	1.1
147.03273	1.5
147.04407	20.6
149.05975	100.0
150.03113	5.0
150.06293	3.3
151.03891	1.5
159.04410	0.9
161.02330	1.4
163.03905	31.1
164.01050	2.4
164.04248	1.4
165.01833	11.0
165.05475	91.7
166.05800	4.0
167.03403	2.9
175.03935	2.2
177.05486	12.1
179.03395	2.9
179.10652	1.5
193.04977	14.9
196.88356	0.9
201.05536	1.5
209.04494	2.8
223.09695	8.0
237.03995	3.7
239.05569	24.0
240.05939	1.1
269.04742	1.1
282.02530	0.9
287.05621	1.6
288.06381	3.6
374.04843	0.9
385.13004	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	385.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.8
58.00466	4.1
59.01242	0.7
69.42926	0.6
69.43328	2.7
71.01236	0.9
72.99173	1.5
83.01244	1.3
91.05404	7.8
93.03332	1.2
95.04903	0.6
97.02798	0.6
97.06454	0.4
98.20637	0.4
109.02806	1.1
115.05399	3.9
117.03327	0.5
119.04910	48.1
120.05238	1.6
121.02847	1.8
121.06493	0.6
122.03609	1.1
123.04382	1.3
125.02330	6.9
131.04912	7.6
133.06480	7.4
135.04390	1.4
137.02336	7.6
145.02762	0.5
147.04402	3.3
149.05975	100.0
150.03094	1.5
150.06339	4.1
151.03847	0.6
159.04396	1.2
161.02348	0.4
163.03909	61.7
164.01057	1.1
164.04219	2.7
165.01823	4.2
167.03403	3.1
175.03987	0.5
177.05466	12.4
177.09131	1.7
178.05853	0.7
179.03392	2.3
191.10718	0.7
193.04930	2.8
201.05507	0.5
201.09195	0.4
205.08661	0.8
217.08560	0.4
219.10272	1.1
247.09846	0.6
257.95065	0.4
269.04575	0.5
287.05566	0.6
288.06485	1.6
313.13962	0.6
341.14053	0.6
367.11316	0.6
385.12857	7.5
386.13409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	0.9
58.00462	1.0
58.27019	0.8
59.01236	3.5
69.03288	1.0
70.73781	2.8
71.01247	15.0
72.99176	97.9
73.99514	1.4
75.00744	1.7
83.01253	3.8
85.02829	1.1
87.00721	1.3
93.03330	11.3
99.00733	5.4
103.00277	1.7
105.08192	1.0
106.03446	1.8
106.04120	22.6
107.04926	5.7
108.02056	9.4
109.02876	2.4
119.04901	11.2
121.02807	3.3
122.03593	2.0
123.04395	3.9
123.35808	0.9
124.01521	1.0
125.02314	2.8
130.04100	7.0
131.04921	5.8
132.02054	12.9
132.05664	1.1
133.02837	4.1
134.03659	2.3
135.04427	7.0
137.02333	26.7
138.03088	3.7
145.02869	1.4
146.03625	2.7
147.04414	19.2
149.02318	3.2
149.05940	4.0
150.03130	10.7
151.03935	1.5
153.09137	1.2
154.02534	1.3
159.04408	1.1
161.02287	1.6
161.05981	8.7
163.03897	9.6
164.01060	1.9
164.04706	7.7
165.01834	16.6
165.05464	15.2
166.50597	0.9
179.03418	3.1
192.04211	16.6
193.04938	1.8
193.10159	2.6
201.05481	2.2
208.08870	8.1
209.09657	11.0
223.09706	1.5
233.09697	1.4
235.07652	1.4
237.09148	46.1
238.09531	3.9
248.84677	1.0
251.10756	2.2
257.02902	1.0
259.06204	1.0
261.09149	1.8
263.07080	2.6
267.10266	2.2
279.10229	1.7
287.05536	4.9
288.06293	5.4
293.08228	2.6
295.09735	63.1
296.09991	7.2
305.08115	2.2
309.07672	18.7
310.07883	1.4
311.09137	1.6
323.09238	29.2
324.09531	2.5
339.08551	1.7
341.10345	3.5
385.09201	100.0
386.09485	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	385.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46401	2.0
55.76830	1.5
71.01251	14.9
71.21487	3.2
72.99180	71.2
75.00747	2.4
77.27796	1.8
86.30145	1.4
93.03313	4.6
99.00779	2.1
106.04121	30.6
107.04916	2.1
108.02026	6.4
119.04908	6.2
119.68584	1.4
124.11578	1.8
130.04131	4.8
131.04898	3.9
132.02065	12.0
135.04425	3.3
138.03113	2.6
146.03619	2.8
147.04416	14.5
149.06003	2.0
161.05992	5.1
163.03909	8.2
164.04724	9.9
165.05453	6.0
186.42053	1.8
192.04312	8.6
192.05682	1.7
193.09964	1.9
208.08913	5.5
209.09619	9.9
237.09146	41.3
238.09424	2.0
251.10646	2.6
252.35794	1.9
261.09360	2.1
263.07074	3.6
279.10388	2.6
293.08319	2.6
295.09717	63.7
296.10129	5.7
309.07660	16.6
323.09201	28.3
341.09946	2.4
374.30194	1.9
385.09274	100.0
386.09631	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	383.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87757	0.6
59.01255	4.2
59.01490	0.7
61.98623	0.7
63.57364	0.6
69.03326	16.0
71.01251	1.8
71.04887	32.6
71.58112	0.8
72.05188	0.7
73.02787	0.7
75.02255	0.7
82.74454	0.7
89.02338	1.6
93.03333	1.4
101.02307	1.4
103.00230	0.9
107.04936	1.3
109.02825	1.3
111.48821	0.8
113.02290	0.7
121.02844	15.3
123.04405	2.0
125.02319	2.7
134.03642	5.5
137.02304	0.8
147.00783	1.3
147.07944	1.1
149.09622	4.7
151.03969	1.0
161.02333	2.1
165.01804	2.1
177.09119	8.7
179.03320	0.7
190.99852	0.9
193.08618	1.6
203.03294	0.7
219.06516	2.1
221.08128	100.0
222.08476	6.6
259.06143	1.3
276.62509	0.8
323.09665	1.3
341.10837	1.2
383.11255	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	383.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87757	0.6
59.01255	4.2
59.01490	0.7
61.98623	0.7
63.57364	0.6
69.03326	16.0
71.01251	1.8
71.04887	32.6
71.58112	0.8
72.05188	0.7
73.02787	0.7
75.02255	0.7
82.74454	0.7
89.02338	1.6
93.03333	1.4
101.02307	1.4
103.00230	0.9
107.04936	1.3
109.02825	1.3
111.48821	0.8
113.02290	0.7
121.02844	15.3
123.04405	2.0
125.02319	2.7
134.03642	5.5
137.02304	0.8
147.00783	1.3
147.07944	1.1
149.09622	4.7
151.03969	1.0
161.02333	2.1
165.01804	2.1
177.09119	8.7
179.03320	0.7
190.99852	0.9
193.08618	1.6
203.03294	0.7
219.06516	2.1
221.08128	100.0
222.08476	6.6
259.06143	1.3
276.62509	0.8
323.09665	1.3
341.10837	1.2
383.11255	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	383.0771
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
54.69836	0.7
59.01250	6.6
59.95863	0.7
61.01034	0.7
68.99686	1.4
71.01256	2.3
71.57153	1.6
73.02819	0.9
84.79930	0.8
85.02789	1.0
89.02303	2.3
101.02318	2.8
101.14500	0.7
113.02292	1.8
119.03376	0.9
121.02840	100.0
122.03151	3.9
123.04310	0.8
145.02792	2.1
147.04391	2.2
149.02312	1.5
161.04416	0.9
170.39072	0.9
181.06500	3.5
188.99696	0.8
191.03413	8.1
192.03717	0.8
217.00371	0.8
225.05531	7.3
251.07088	3.5
295.06088	12.4
296.06458	1.5
311.09225	11.8
312.09555	0.9
313.07156	19.7
314.07474	1.6
331.09653	0.9
339.08694	15.5
340.09122	1.9
341.10916	1.9
383.07687	23.1
384.07980	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51300	2.6
52.64382	2.5
59.01246	22.3
67.31763	2.5
69.65012	18.2
71.01245	15.9
72.99174	52.6
73.02830	7.0
73.99496	2.5
75.00748	2.9
84.99196	2.7
87.00748	9.2
97.06470	2.9
98.19730	2.7
99.00797	5.3
101.02297	5.6
103.00243	100.0
109.02843	17.4
113.02339	4.3
120.10917	2.4
121.02839	5.3
121.06490	2.7
122.03612	3.9
123.00751	4.2
123.04417	17.4
124.01467	3.3
125.02328	3.9
135.04448	5.7
135.72574	2.7
137.02319	20.5
138.03107	9.1
146.03659	5.6
146.99255	10.9
147.04405	6.3
147.08006	5.1
148.05193	7.6
149.06015	3.7
151.03947	3.3
151.07501	6.5
159.04366	8.9
161.02371	8.3
161.06018	4.7
162.03183	4.7
162.06770	3.1
163.03839	5.6
163.07559	10.8
165.05408	5.3
172.05225	7.6
173.05995	13.7
174.03172	8.7
174.06729	3.5
175.03920	10.7
175.07552	14.6
176.04686	21.3
177.05409	3.0
177.09056	17.5
179.03398	17.7
180.04164	3.9
181.04990	10.6
186.06683	3.0
187.03940	8.0
187.07574	16.2
188.04704	9.4
189.01880	3.2
189.05435	14.6
189.09137	7.3
190.02675	3.8
190.06232	9.6
191.03462	7.0
191.06996	15.5
191.10710	7.7
192.04149	4.6
192.07343	2.7
200.04654	2.8
201.05515	10.0
201.09201	11.8
203.07126	18.6
203.10703	3.3
204.04196	13.6
205.08633	38.3
209.04332	3.2
215.07059	16.8
216.04132	4.1
217.05031	5.3
217.08658	11.8
218.05785	3.6
219.06569	8.3
219.10161	4.6
221.08156	17.2
229.08574	8.0
230.05936	4.4
231.06569	4.0
231.10118	3.5
233.08173	28.0
234.08496	3.2
235.09734	8.8
241.08589	3.6
245.08160	9.8
247.09706	6.0
249.07626	7.0
249.11261	7.8
250.13692	3.2
251.13995	5.5
259.09772	11.8
263.09207	3.3
271.04633	21.6
273.07834	4.1
275.09244	15.3
277.10776	17.9
278.11447	2.8
289.07257	3.6
291.08685	10.8
293.10269	33.5
294.10809	3.4
303.08871	5.9
307.08206	3.4
311.07739	3.1
321.09460	2.5
347.07596	5.4
365.08902	24.8
383.09818	96.5
383.17865	4.8
384.10287	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	7.7
55.02319	0.6
57.03322	5.5
58.00450	1.5
58.21575	0.6
59.01245	42.2
69.03325	1.6
71.01247	65.9
72.01600	1.3
72.99174	4.2
73.02815	40.4
73.22001	0.7
75.00739	2.4
81.03325	1.0
83.01251	17.3
83.32858	0.6
84.45282	0.6
85.02816	36.1
85.49795	0.7
85.99970	2.7
87.00747	4.6
87.08024	1.6
89.02310	12.4
95.01238	5.3
97.02838	3.5
99.00749	14.6
101.02312	91.8
102.02644	1.6
103.00220	2.8
108.41147	0.7
109.30004	0.7
111.00725	1.4
113.02320	31.1
114.02688	0.8
115.03886	2.2
119.03382	0.9
119.54776	0.8
121.78187	0.7
123.00813	0.8
125.02320	3.9
129.01787	2.5
131.03368	4.6
143.03458	3.3
149.04428	0.8
157.08595	1.4
159.02904	5.7
161.04446	23.0
175.03923	0.7
184.38910	0.6
229.24300	0.8
233.06589	2.8
249.13387	100.0
250.13745	4.4
381.17624	77.5
382.17993	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	381.095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85194	0.7
53.25295	0.6
59.01245	5.6
71.53313	0.6
71.53669	1.0
79.01762	14.4
90.05048	0.6
91.05382	3.3
93.03327	8.1
107.04881	0.7
111.04425	5.3
115.17593	0.6
119.04911	42.6
120.05223	0.8
120.91050	0.6
121.02893	0.7
123.04372	0.7
135.03406	1.2
135.04411	21.1
145.02826	1.1
151.03943	3.2
153.05519	1.3
165.05490	0.8
174.99182	2.3
179.03407	36.5
180.03745	1.6
187.92662	0.6
193.04977	4.0
197.04442	5.3
198.06543	0.6
205.04968	4.9
217.00237	8.5
255.10316	0.8
299.09219	100.0
300.09521	8.8
321.07663	0.7
337.05707	1.1
339.07260	1.2
381.08206	7.3
382.08411	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	9.9
66.13808	1.1
69.70054	4.6
69.70461	2.2
98.19802	1.4
99.97832	1.4
103.00245	53.5
104.40494	1.1
134.77049	1.3
173.05943	2.6
190.02692	3.5
190.20097	1.4
191.03365	2.1
201.05534	16.5
202.05965	1.7
203.03462	1.3
203.06949	1.3
204.04201	4.3
206.02071	1.8
213.05612	1.4
215.03389	4.3
215.07039	1.8
216.04225	10.7
217.04907	6.3
218.05579	1.4
219.03015	42.9
219.06540	79.2
220.03386	2.4
220.06921	4.2
227.07054	1.4
231.06625	8.3
233.04498	5.2
233.08177	2.8
234.05289	43.5
235.05693	3.4
244.03761	2.2
245.08189	3.7
261.07706	5.0
262.04800	100.0
263.05069	7.1
273.07657	5.8
273.34323	1.3
289.07199	1.7
291.08734	7.3
328.08752	1.4
350.02765	46.1
351.03110	3.1
356.86615	1.5
379.06635	23.5
379.11295	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	379.1608
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01756	1.0
57.03292	0.9
58.00460	4.2
59.01247	79.1
69.03335	1.0
70.71645	1.3
70.72047	1.3
71.01249	63.1
72.01593	0.8
72.99176	4.5
73.02434	1.4
73.02816	17.1
75.12929	0.7
83.01242	2.5
85.02812	9.9
87.00752	2.9
89.02313	100.0
90.02659	1.5
95.01252	4.4
97.02825	2.4
99.00749	22.1
101.02319	41.1
102.02649	0.9
113.02325	18.8
115.03864	1.4
115.21352	0.7
119.02557	1.3
119.03381	17.5
125.02321	4.6
131.03395	13.8
143.03378	4.4
149.04453	41.9
150.04808	1.0
161.04420	5.9
179.05521	10.3
191.05513	10.1
221.06517	1.0
233.06708	1.3
247.11803	3.4
251.07742	2.9
315.78064	0.7
331.11246	0.8
379.16068	31.0
380.16293	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	2.3
68.43404	0.5
71.01286	1.1
71.57684	0.7
89.02294	0.6
93.03342	2.8
95.04897	0.7
96.82249	0.6
116.07031	0.7
119.34367	0.6
121.02822	7.1
122.03619	12.1
123.04427	0.9
133.02870	1.4
136.01541	1.2
137.02348	0.7
149.01401	0.7
149.02339	41.0
150.03127	78.7
151.03455	3.5
164.04712	5.3
165.05478	100.0
166.05858	5.5
167.07063	1.3
180.04199	5.3
181.08533	1.1
195.06555	57.4
196.06876	2.4
245.81873	0.6
288.15192	0.6
314.11591	5.5
329.13919	23.4
330.14127	2.2
341.10806	0.7
367.13174	0.8
377.08725	0.8
377.29016	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	1.4
69.46375	0.7
70.72445	1.0
70.72779	1.2
71.01250	1.7
77.75195	0.7
83.26025	0.9
93.03311	2.2
95.01224	1.1
95.04910	1.3
121.02842	9.2
122.03600	3.0
123.04435	0.9
132.02097	0.9
133.02820	0.8
136.01663	0.7
147.04391	1.4
149.02348	100.0
150.03146	25.7
151.03511	1.8
164.04700	20.0
165.05484	26.0
166.06163	2.2
167.03279	0.8
167.07008	4.9
180.04201	2.1
181.08623	1.5
195.06563	10.4
283.09775	3.4
285.11270	1.4
314.11584	30.9
315.11945	2.7
329.13913	73.6
330.14294	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	375.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71877	0.5
53.75883	0.4
59.01245	11.7
70.03838	0.6
71.01251	10.9
83.53036	0.5
99.92445	0.5
123.15561	0.5
127.07579	0.8
142.25681	0.6
148.05238	0.7
149.21021	0.5
156.28416	0.7
164.08292	1.4
174.99190	2.2
177.09088	4.4
190.09911	2.3
192.11453	7.8
201.02426	0.7
205.12274	4.6
207.13820	1.8
217.00198	7.1
218.09471	2.2
220.14619	43.0
221.15402	100.0
222.15736	7.2
229.54024	0.6
235.13374	1.5
236.10489	88.4
237.10820	7.0
264.08502	1.4
275.16486	0.6
278.77448	0.5
292.11670	0.9
293.17569	41.3
294.17929	4.4
318.09561	6.6
319.10114	0.8
321.15625	2.5
375.17807	7.4
376.18015	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23725	1.4
59.01247	40.6
59.59145	1.1
61.68315	1.2
71.01205	1.4
71.56315	1.6
78.95791	1.3
81.49213	1.0
93.03320	1.6
95.04892	37.8
95.05499	2.0
99.92448	3.7
174.99123	5.2
179.14310	1.6
184.79257	1.1
195.13843	8.7
196.14473	1.6
200.87025	1.1
201.02577	1.8
210.03851	1.6
217.00244	25.5
218.00621	1.7
223.13377	7.4
228.13744	1.4
246.12315	12.3
249.06213	2.8
256.13181	2.5
275.20145	4.0
278.11340	80.1
279.11655	4.7
293.21207	100.0
294.21451	11.1
315.19373	17.7
316.19781	2.4
338.12228	12.4
339.12076	1.5
375.07260	1.4
375.21112	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	377.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82993	2.9
55.22964	2.9
56.23473	3.1
59.01243	16.9
69.65060	20.8
70.56207	2.7
71.01258	14.1
78.62873	2.6
78.96154	2.6
84.53112	2.7
87.00750	3.3
89.02309	26.7
92.80256	2.8
93.93334	2.6
98.19865	6.8
101.02318	11.2
106.69903	2.6
113.02328	7.9
119.03405	12.5
131.03328	3.2
161.04480	6.6
179.05542	17.7
196.56229	3.4
197.02231	3.3
215.03207	18.4
290.26431	2.8
341.10864	100.0
342.11267	6.8
377.08542	56.0
378.08936	3.3
379.64774	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51972	1.7
56.86122	1.6
57.03319	4.1
59.01238	4.9
65.35104	1.6
71.01213	1.9
71.58102	2.8
73.02820	2.1
83.04900	2.6
93.03307	2.5
93.06945	2.2
99.28770	2.0
121.02777	9.5
122.03616	9.1
142.30046	2.5
143.10663	2.2
146.03606	6.1
149.02336	100.0
150.03125	50.4
161.05988	3.9
164.04686	16.0
165.05490	67.0
166.05782	3.4
179.07028	9.5
180.04137	4.3
195.06555	26.2
245.17551	11.7
283.09915	2.9
312.10004	25.8
313.10483	3.6
327.12357	78.8
328.12598	7.6
375.19687	3.0
375.27402	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	375.0718
Annotation	5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
52.20114	0.3
55.01745	0.4
58.00454	0.4
59.01234	1.9
65.03854	0.3
68.99685	7.6
71.01242	1.9
71.38580	0.8
72.99179	51.7
73.99512	0.4
75.00745	3.8
87.00749	2.7
93.03333	47.0
94.03664	1.3
99.00753	3.4
99.57683	0.3
103.00266	1.0
106.04114	2.1
107.04906	100.0
108.02020	0.5
108.05231	3.0
109.77074	0.3
117.78082	0.3
119.04908	1.4
121.02848	0.6
121.06470	1.7
123.04403	1.4
128.11685	0.3
131.04935	1.6
133.02853	5.3
134.03604	1.8
135.04413	18.3
136.04735	0.9
145.02808	0.4
147.04422	1.9
149.05974	12.6
150.06287	0.3
160.46266	0.3
163.03912	3.6
165.05479	48.3
166.05853	1.9
175.03897	5.7
179.03391	1.3
181.04993	5.3
182.05362	0.4
185.53708	0.3
193.04985	17.5
194.05350	0.9
199.41574	0.3
211.06064	4.8
221.62302	0.3
227.07068	14.1
228.07367	1.5
232.73615	0.3
243.08670	0.4
255.06667	0.5
264.85162	0.4
269.08170	5.9
285.07672	43.9
286.08011	3.9
295.06104	2.2
299.05588	12.5
300.05844	1.1
301.07196	2.1
313.07187	5.7
314.07474	0.7
315.41391	0.3
331.08273	1.2
366.21484	0.4
375.07175	67.8
376.07523	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	375.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10098	2.3
59.01242	25.9
60.74005	2.5
65.00188	3.5
68.99702	3.7
70.92396	6.0
71.01272	6.5
72.99184	18.1
74.31893	2.5
75.00727	3.3
75.56516	2.5
77.03831	29.8
79.05382	4.2
93.03330	26.7
95.01220	3.2
95.04883	7.2
101.02291	3.4
101.94429	3.1
104.72900	3.2
105.03337	3.8
107.04905	24.4
109.02870	5.4
112.79866	2.5
121.02839	100.0
123.04428	3.4
131.04840	2.6
135.04425	5.5
139.03879	10.0
145.02789	3.1
149.02322	3.8
149.05934	5.0
150.03079	5.3
151.03900	17.1
163.03893	22.4
165.01842	26.0
165.05400	17.2
166.06250	15.0
172.59479	3.2
173.05972	8.0
174.99104	6.0
177.01869	3.7
177.05463	4.9
179.03308	6.2
181.08617	11.6
185.09682	5.1
187.07582	6.7
193.04985	6.8
195.87964	2.9
197.09644	4.5
201.02670	2.5
201.05481	3.5
201.09065	3.7
209.08139	26.5
211.07707	3.5
213.09160	14.0
213.14954	8.4
214.06235	4.9
215.07101	15.2
217.00287	19.4
225.05557	3.1
227.07123	6.3
228.11580	3.3
229.08644	28.9
230.09355	11.9
239.07103	11.5
240.07851	10.2
241.08652	34.0
242.05705	3.2
242.09061	3.1
244.10944	5.1
245.11827	2.9
254.09467	3.1
255.06548	11.9
255.10384	3.2
256.07275	4.9
257.08167	52.2
258.08582	4.4
259.80746	2.8
271.09714	8.0
272.10544	19.9
273.11011	3.1
283.06030	16.9
285.07666	12.3
285.11066	3.8
287.12885	16.6
298.08466	6.6
304.09555	2.9
313.07321	3.2
313.10706	11.2
331.11862	81.0
332.12173	8.3
375.07080	17.8
375.19986	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	374.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21231	0.2
50.28357	0.1
59.01249	3.6
59.40502	0.1
59.85670	0.1
60.19180	0.1
67.36697	0.1
77.07316	0.2
87.61864	0.1
90.98691	0.2
91.54771	0.1
101.05972	1.2
124.07574	0.8
138.12405	0.1
141.79350	0.1
165.10182	0.3
171.12088	0.1
174.99155	1.4
175.48866	0.1
189.10266	0.6
201.02486	0.5
205.12119	0.3
217.00243	4.5
218.82780	0.2
229.34903	0.1
232.10867	10.1
233.11221	0.6
260.10403	0.3
272.17639	0.4
289.17920	1.4
290.18729	2.9
291.19339	0.2
316.16589	1.9
317.16727	0.2
318.18298	0.5
358.21359	0.9
359.21603	0.2
374.24460	100.0
374.98941	0.3
375.24777	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	375.072
Annotation	5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01743	1.1
58.00471	3.0
59.01250	8.2
69.40742	6.7
71.01242	1.8
71.59265	1.0
72.99178	80.6
73.99483	1.1
75.00732	6.1
75.55347	0.8
80.02546	1.0
87.00750	4.9
93.03331	61.9
94.03664	1.1
95.01269	2.0
99.00742	6.8
106.04125	3.8
107.04901	14.9
108.02051	6.5
119.04913	4.0
121.02839	5.7
121.06438	1.2
123.04399	1.8
131.04904	3.4
133.02856	9.7
134.03625	2.2
135.04404	19.1
136.01537	9.5
136.04698	1.2
137.02342	19.6
138.02972	1.0
147.04420	5.0
149.05977	17.7
150.06273	1.1
163.03899	7.1
165.05475	91.1
166.05733	4.5
174.99123	1.1
175.03885	3.0
179.03394	13.1
180.03725	0.9
181.04961	3.7
183.08072	8.2
190.62172	0.8
193.04991	40.5
193.06766	2.0
194.05354	2.0
209.04381	1.0
209.06108	2.5
211.06071	9.7
217.00262	3.5
225.09145	2.0
227.07082	18.7
228.07484	2.0
241.08643	10.5
255.05058	100.0
256.05371	5.0
269.08084	2.0
285.07645	43.6
286.07938	3.2
299.05560	12.6
300.06003	1.0
301.07193	2.4
313.07162	9.1
314.06995	0.9
375.07175	96.7
376.07480	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	374.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65313	0.8
56.66214	0.8
58.00462	1.9
59.01252	9.0
69.66936	3.3
69.67347	1.8
72.99180	87.7
73.02843	0.8
75.00752	3.6
76.54596	0.8
89.02298	1.0
91.04140	1.1
92.04931	6.0
93.03333	59.3
94.03660	1.9
99.00779	2.0
102.18956	0.9
103.00257	2.0
106.04126	25.2
107.04897	3.4
108.02059	7.0
108.04435	1.4
119.04842	1.3
121.02827	1.2
128.87592	1.0
130.04126	3.2
132.02071	10.5
133.02885	1.8
134.03613	1.0
135.03151	9.0
135.04399	8.0
136.03941	12.2
138.03110	2.0
147.04393	1.4
149.05997	9.2
163.03905	2.5
163.13733	1.0
165.05476	25.8
166.05765	1.1
168.08089	10.5
182.09622	4.9
184.07445	1.5
193.04971	6.0
196.07610	3.5
196.11172	1.4
197.08295	1.2
208.07611	1.8
210.09160	6.4
212.07021	1.0
217.00188	2.2
222.09137	1.8
224.10765	2.6
226.08673	25.9
227.09003	2.2
240.10262	10.0
250.08644	1.8
252.06653	10.2
255.05173	1.2
270.07596	1.6
282.08008	1.6
284.09271	63.3
285.09760	4.1
298.07184	18.0
299.07437	1.1
300.08966	1.5
312.08774	29.4
312.12375	1.5
313.09247	2.7
330.09778	3.2
374.08795	100.0
375.09308	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	373.1865
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
51.73822	0.6
58.00433	0.7
59.01248	100.0
67.52035	0.5
68.15116	0.6
71.01247	5.5
71.58334	1.1
72.99182	1.2
73.88634	0.6
74.95068	0.6
83.01228	1.1
85.02828	2.2
85.47692	0.6
89.02306	6.4
95.37604	0.6
101.02316	4.6
113.02338	3.3
115.92008	1.2
116.08158	0.6
119.03413	3.4
119.04903	1.0
121.02849	2.8
161.04414	1.3
165.01877	0.8
174.93375	1.3
176.50056	0.6
177.34436	0.6
314.86200	0.7
373.05856	2.1
373.22089	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Dercitamide
Peak:m/z	Relative Intensity
51.83546	0.5
52.12531	0.6
54.82564	0.5
55.01757	1.0
57.20842	0.5
59.01244	3.4
64.63693	0.5
67.01759	1.1
67.85877	0.6
69.03324	0.7
70.71095	1.5
71.01248	4.3
72.99171	1.0
73.02814	1.7
79.01768	0.9
83.01258	1.6
85.02818	2.9
89.02307	1.1
95.01243	2.4
97.02858	0.7
101.02320	3.6
107.01279	3.3
111.00773	3.3
113.02316	1.8
122.99904	0.9
123.00766	13.6
124.01619	0.8
125.02329	13.0
127.00254	0.7
136.98712	2.5
139.00284	5.5
140.01059	5.0
141.01781	1.9
151.00270	10.8
151.03865	0.7
153.01849	0.5
162.39450	0.6
168.00531	5.1
169.01334	15.3
211.02364	0.9
229.71895	0.5
265.58725	0.5
313.05658	0.9
373.11349	100.0
374.11682	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	373.0928
Annotation	5,7-Dihydroxy-2',3',4',5'-tetramethoxyflavone
Peak:m/z	Relative Intensity
58.00455	1.2
59.01251	8.2
70.45945	1.1
71.01258	2.9
71.58238	1.3
72.99180	87.2
77.79836	1.2
79.32428	1.2
79.95615	1.8
91.05406	1.1
93.03363	2.3
94.62178	1.1
103.00257	1.5
106.04120	29.9
107.04936	3.2
108.02056	15.0
113.05146	1.0
115.91970	2.6
119.04903	1.7
121.02894	6.2
123.04343	1.4
130.04146	4.5
132.02065	14.1
134.03607	2.4
135.04411	32.8
136.04770	2.0
138.03108	4.9
145.02856	4.0
147.04430	4.1
151.03899	3.4
164.04657	3.4
165.01772	2.5
167.08658	1.2
174.93344	2.8
181.10117	4.0
196.08836	1.3
197.09605	1.9
225.09151	23.2
226.09373	1.5
249.09157	2.2
251.07117	15.1
253.08418	1.5
265.08597	1.4
267.10233	9.9
269.08197	5.0
281.08157	2.2
283.09747	77.0
284.10184	7.3
293.08063	1.6
297.07678	20.3
298.08029	1.9
299.09222	1.5
311.09247	30.3
312.09500	2.7
327.08670	5.7
329.10263	3.4
373.09250	100.0
373.25522	2.6
374.09689	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	372.036
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35573	8.8
59.01249	23.9
63.02269	17.9
65.00198	20.3
65.99712	16.4
69.61303	43.4
69.61723	18.7
81.03337	11.8
83.01276	17.5
86.89981	8.4
95.01262	23.9
97.02764	8.4
107.01266	34.2
109.02843	28.0
109.99979	14.3
111.00765	30.6
116.73283	8.0
118.02897	10.9
121.02859	12.2
123.00759	40.5
124.01610	11.6
125.02321	26.1
127.00304	8.4
133.02835	13.2
135.00781	11.3
136.01366	11.2
137.02342	42.7
139.00252	83.4
141.01828	21.4
149.02295	17.6
151.00255	100.0
151.01346	10.7
152.01079	10.8
153.01831	15.5
154.99750	22.0
161.02402	23.9
162.01894	22.5
163.00305	24.3
164.00952	16.1
164.98114	12.2
165.01843	36.2
165.99020	24.4
166.99779	48.5
168.00491	29.5
169.01305	23.0
176.03477	13.9
177.01807	20.2
178.99782	88.4
180.00302	14.2
180.02957	14.2
181.01378	11.6
186.01833	14.4
189.01938	12.6
190.01372	17.5
190.99832	16.9
193.01328	12.3
194.99303	62.0
202.01358	27.5
204.02893	14.2
206.99298	41.1
207.01550	17.0
207.99765	24.5
208.02386	39.6
209.00821	27.7
214.01382	12.8
215.03452	11.4
218.00948	10.6
222.98720	19.6
227.03506	14.9
235.92143	9.8
243.02876	11.8
245.00879	19.1
246.00342	16.8
259.02493	12.5
271.02496	41.4
273.03836	11.8
283.02542	9.0
286.01083	12.9
287.02045	26.7
299.01913	15.7
299.90942	9.4
300.02533	12.4
301.03540	21.9
305.02927	11.3
308.01810	10.1
310.03488	14.0
313.03372	13.9
314.00668	9.6
315.01364	13.3
317.03070	14.8
326.02841	12.2
327.01587	59.3
329.08710	14.1
332.01709	57.3
344.04074	9.9
345.02310	15.2
354.02402	23.8
372.03146	95.6
372.06543	19.4
373.04669	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	371.2072
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
50.49621	0.3
55.01753	7.2
57.03320	8.1
58.00467	2.7
59.01247	53.8
60.01545	0.5
68.99664	0.3
69.03322	1.4
69.45276	1.7
69.45702	0.8
71.01250	100.0
72.01591	1.2
72.99183	4.6
73.02814	32.4
74.03175	0.5
75.00748	1.8
81.03319	0.6
83.01254	15.3
83.04900	0.5
85.02817	47.5
85.99960	1.2
86.03151	1.3
87.00748	4.3
87.04395	0.9
87.76468	0.4
89.02309	23.0
90.02639	0.4
92.73676	0.3
95.01252	7.0
95.14127	0.3
95.89737	0.3
96.95898	0.3
97.02825	2.2
99.00750	14.4
99.04374	0.5
100.01129	0.5
101.02315	81.7
102.02660	1.4
103.03851	0.5
111.00755	1.9
113.02323	44.7
114.02671	0.5
115.03881	0.6
119.03378	8.1
123.00755	0.4
123.08013	0.4
125.02318	2.6
129.01826	2.3
131.03360	1.1
137.09595	1.2
141.01871	0.5
143.03389	5.6
149.04451	0.5
149.09593	0.6
151.00215	0.8
159.02902	9.0
160.03188	0.4
161.04453	47.4
162.04810	1.6
165.12697	0.8
169.01306	0.8
179.05505	1.0
189.52902	0.4
205.03450	2.3
209.15385	9.6
210.15704	1.0
215.14388	0.4
233.15483	0.5
246.04973	0.3
287.42291	0.4
341.06604	0.6
356.58142	0.4
371.20670	39.2
371.24280	1.5
372.21057	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	371.1348
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
58.00459	1.9
59.01249	100.0
71.01247	37.0
72.99178	4.3
85.02838	9.1
87.00767	4.0
89.02318	35.1
95.01286	3.1
98.19751	3.4
101.02326	26.3
113.01659	2.6
113.02311	14.6
119.03402	16.7
132.19531	1.7
135.40926	1.7
145.02841	2.2
163.94322	1.9
220.09789	2.5
329.15598	2.1
344.98285	1.7
371.09100	3.6
371.13449	61.5
372.13867	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	371.0981
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
59.01249	2.1
59.52128	1.2
60.81127	1.2
69.03329	1.2
71.01242	5.6
71.04880	3.0
71.56573	1.5
71.56992	1.6
72.99174	52.9
75.00744	3.7
78.98332	1.5
85.02832	1.8
87.00739	12.8
87.04390	13.7
93.03329	81.1
94.03672	2.9
99.00759	6.6
102.40373	1.1
103.00288	1.4
107.04919	9.8
113.00671	1.2
115.03886	16.0
119.04896	2.1
121.02845	1.7
131.04915	2.6
132.02101	1.3
133.02843	4.9
133.04956	3.3
134.03610	1.4
135.04404	3.5
149.05991	6.1
150.03055	3.4
161.05984	5.3
161.84480	1.2
163.03943	5.8
165.05453	19.5
169.01392	1.6
176.01091	1.5
179.03389	1.5
179.07043	8.3
181.04980	4.3
191.03534	1.3
193.04956	15.9
211.06013	3.2
281.10278	15.3
282.10654	1.5
288.40057	1.4
295.08258	6.2
309.09711	4.8
371.09799	100.0
372.10092	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	371.0982
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
58.00435	1.0
59.01242	2.8
70.98173	2.4
71.01258	5.2
71.04895	4.5
71.84624	0.8
72.99178	47.2
75.00745	3.0
87.00744	12.5
87.04385	10.1
93.03329	74.9
94.03668	2.4
99.00743	4.2
103.00240	1.4
107.04893	9.4
108.01999	1.2
115.03909	14.5
119.04926	1.5
123.00770	2.0
125.02351	1.1
131.04875	2.1
132.02104	1.9
133.02867	4.3
133.04993	4.5
135.04411	4.0
147.04469	0.9
149.05954	6.4
151.07538	1.6
161.05989	7.3
163.03918	4.1
165.05455	15.3
175.03882	1.1
176.01074	1.5
179.07022	7.4
179.08455	1.1
181.04926	2.2
191.03384	1.9
192.04185	1.2
193.05000	16.8
211.06032	4.5
255.05042	2.0
268.29376	1.1
281.10312	16.8
282.10724	1.4
291.08905	1.1
295.08200	9.3
309.09747	6.1
371.09805	100.0
372.10123	8.1
393.06857	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2197
Annotation	Aspidocarpine
Peak:m/z	Relative Intensity
52.58166	0.1
59.01252	0.2
62.96286	0.2
78.95776	100.0
82.37604	0.2
87.48329	0.2
91.97652	0.2
95.96052	1.0
96.80947	0.2
96.96838	34.1
98.19736	0.4
101.95316	0.2
119.38193	0.2
229.20354	0.2
365.71906	0.2
369.21973	11.7
370.22235	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42320	1.1
59.01234	3.8
70.03166	1.2
71.01253	7.3
71.04890	2.5
72.99178	50.9
75.00729	3.2
85.02835	1.4
87.00747	16.2
87.04371	10.6
89.02280	1.9
93.03328	73.0
94.03615	2.1
99.00759	5.1
103.00251	2.0
107.04903	10.0
114.65022	1.1
115.03895	26.2
123.04321	1.7
131.04919	2.3
133.02831	5.1
133.04958	4.7
135.04395	5.7
147.04405	1.9
149.05975	8.6
149.61882	1.2
161.06000	6.3
163.03914	4.3
165.05466	16.6
179.03398	1.7
179.07054	4.3
181.04962	3.0
193.04976	18.6
211.06070	3.5
236.40564	1.2
249.07806	1.7
255.05193	1.3
281.10312	16.0
295.08090	8.9
309.09827	7.9
371.09796	100.0
372.10080	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	369.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00482	2.6
59.01246	2.0
61.98694	0.6
71.58044	0.9
72.99171	0.9
78.95779	0.6
91.05413	4.0
99.70953	0.5
115.05417	2.7
119.04920	0.9
125.02303	1.0
131.04897	8.5
132.05388	0.6
133.06497	7.7
135.04399	1.1
147.04410	9.9
148.04727	0.7
149.05984	100.0
150.06339	4.3
166.90991	0.9
177.05493	12.3
193.04901	3.4
193.59131	0.6
194.95480	0.6
210.90097	0.6
323.59256	0.6
369.09595	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.134
Annotation	5,3',4'-Trihydroxy-7-methoxy-8-C-prenylflavanone
Peak:m/z	Relative Intensity
51.02266	0.8
52.84447	0.7
59.01241	3.0
64.72047	0.9
78.95764	0.9
81.03340	1.2
83.01243	6.1
93.03327	1.5
95.04900	2.7
97.02840	8.2
108.02061	2.8
109.02832	36.5
119.08559	1.7
121.02850	5.2
121.06471	2.8
122.03586	2.5
123.00749	1.0
123.04411	27.9
124.01545	2.1
125.02331	3.2
131.04872	1.3
133.02847	1.5
135.04366	3.2
137.02339	2.2
137.09618	1.2
139.03864	4.9
139.11162	1.3
142.59608	0.9
145.02870	2.2
146.03621	3.5
149.02347	9.0
149.05971	2.8
150.03151	1.5
151.03909	11.3
159.04424	4.5
160.05241	1.3
161.02350	6.7
161.05951	7.1
161.09612	4.3
162.03108	3.7
163.03902	3.0
163.07549	2.5
173.05994	1.1
174.03056	1.0
175.03857	1.3
175.07559	1.5
175.11159	1.8
176.01089	2.0
177.05437	3.1
177.09087	1.2
185.06046	0.9
187.03908	3.1
188.04695	1.9
189.01828	1.2
189.05504	4.0
203.03467	2.2
203.07066	9.1
204.07336	1.3
205.05023	14.8
205.08624	9.3
207.10168	6.9
213.05553	1.7
216.04286	0.9
217.08670	6.7
218.09338	1.1
219.10185	2.7
231.02939	2.1
231.06561	1.5
245.08081	4.6
246.08807	3.7
247.06041	7.9
247.09674	2.6
259.09659	5.3
268.11017	1.0
283.13245	1.9
301.14304	1.7
325.14450	14.5
326.14972	1.1
351.12305	1.4
369.13409	100.0
370.13815	12.1
390.78793	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54556	2.0
61.42635	2.0
69.36622	7.8
69.37046	9.2
72.99169	23.2
96.95895	4.6
99.00740	4.1
103.00249	4.3
109.02838	31.0
121.02809	1.7
122.44329	1.7
123.04405	36.1
147.04449	1.9
149.02325	2.0
151.03943	6.2
181.04996	22.7
191.03427	6.9
195.02933	6.1
209.04468	2.6
225.44382	1.8
249.14667	1.8
253.03545	5.9
265.50046	1.9
271.04572	100.0
272.04953	6.1
326.79425	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	367.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	4.3
57.03308	2.9
58.00451	1.9
59.00948	1.6
59.01246	28.1
60.39924	0.9
69.03321	1.6
69.75385	4.8
71.01247	49.3
72.01587	1.0
72.99173	5.0
73.02814	29.9
73.06448	1.0
75.00758	1.2
83.01255	10.9
83.99277	0.9
85.02818	26.1
85.03333	1.3
87.00748	4.2
89.02322	10.8
95.01272	2.2
97.02824	1.2
99.00269	0.9
99.00768	12.4
101.02322	54.0
103.00258	1.4
111.00793	1.4
113.02333	18.6
113.03075	2.0
115.03859	0.9
119.04901	3.7
124.75505	0.9
125.02312	4.1
129.01765	1.9
131.03378	2.4
132.07686	1.1
143.03369	2.6
143.07013	1.4
146.99341	1.0
159.02847	4.3
161.04474	22.8
162.05606	1.3
163.03926	2.3
205.03439	1.3
206.04558	1.7
233.06688	2.8
235.11815	100.0
236.12196	5.0
272.24127	1.0
279.10696	1.0
293.08664	1.3
305.09958	1.1
367.11023	2.7
367.16040	76.3
368.16290	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	367.1394
Annotation	2-Phenylethyl-2,6-diacetyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01754	1.4
57.03306	1.5
58.00449	3.4
59.01250	83.9
60.01581	1.0
69.33544	10.4
71.01251	45.3
72.99181	10.7
73.02814	1.2
75.00768	1.2
83.01265	3.4
85.02816	10.4
87.00739	2.5
89.02314	46.3
92.49350	0.9
95.01251	2.6
100.08132	1.0
101.02319	24.8
102.51897	1.0
102.57615	0.9
103.00243	3.8
106.04122	4.3
107.04910	1.0
108.02039	2.0
109.02836	1.6
113.02322	19.2
119.03383	14.5
121.02837	4.5
123.00742	1.1
123.04395	1.0
134.03595	1.2
137.02348	2.5
138.03137	1.2
143.03397	1.8
146.99239	3.9
147.04561	1.0
148.05173	1.0
149.04475	1.0
151.97285	1.2
161.09628	25.2
163.03918	1.7
163.07510	2.7
179.03387	3.3
179.05415	1.0
189.09160	2.2
203.10733	2.8
204.07834	3.5
205.08624	80.4
206.08925	4.1
217.08672	5.6
219.10251	5.5
229.08606	1.2
247.09715	46.2
248.10056	3.3
270.03806	1.9
277.10724	10.0
277.38486	0.9
298.32098	1.0
307.11880	23.8
308.12137	1.6
347.62088	1.1
367.10333	6.2
367.13977	100.0
368.14371	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	366.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18414	0.5
52.32199	0.5
59.01247	3.2
60.40054	0.5
61.98700	0.5
71.43399	0.9
76.85406	0.5
102.03348	0.9
103.77720	0.6
104.04932	1.5
119.04951	0.7
120.04420	1.2
121.02778	0.8
130.06477	0.7
132.04449	1.7
146.06041	3.9
148.07578	47.6
149.07912	2.2
162.05534	0.8
164.03397	0.6
177.01291	0.4
192.95869	0.9
208.92996	0.6
364.70642	0.5
366.24353	100.0
367.10489	1.0
367.24713	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	367.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58616	1.4
59.01245	4.8
67.15335	1.1
69.03325	2.6
69.53127	9.0
71.01266	4.5
72.99178	100.0
84.99182	1.9
85.99979	1.4
87.00754	9.0
97.06486	5.8
98.20602	2.7
99.00732	3.3
100.42446	1.0
100.98676	3.0
103.00242	20.1
103.26341	1.4
104.73150	1.1
109.02826	1.6
119.04917	1.7
121.02834	3.6
121.11125	1.1
122.03602	1.6
123.04388	4.7
124.30520	1.2
135.04434	2.9
135.08061	1.4
137.02319	1.6
144.95505	1.1
146.03627	13.6
146.99199	11.9
147.04375	4.2
148.05148	2.8
149.00790	2.2
149.05972	3.0
149.11877	1.0
150.03090	1.4
150.33792	1.1
151.03912	1.4
157.06448	1.2
159.04457	4.4
161.02306	1.6
161.05980	3.7
162.03069	1.9
162.06786	1.8
163.03856	3.6
163.07533	15.1
172.05168	7.2
173.06042	8.0
174.03134	7.5
174.06729	2.8
175.03960	7.5
175.07547	38.5
176.04681	17.0
176.08041	2.1
177.09171	2.0
185.06012	3.1
186.06793	7.8
187.03902	8.2
187.07556	31.8
188.04669	10.8
188.07954	2.0
189.05434	3.2
189.09090	2.1
190.06270	10.4
191.07047	4.5
191.10651	1.9
199.07574	2.0
200.04747	20.9
201.05344	3.7
201.09106	10.9
202.06255	4.7
203.07057	19.5
203.85098	1.2
204.04184	7.6
204.07726	2.5
205.08630	34.0
206.08998	1.8
213.09091	1.7
215.07103	10.7
215.10664	3.2
216.04163	1.3
216.07735	2.7
217.08553	10.7
218.05762	2.7
219.10191	17.2
220.10680	1.3
228.07852	3.0
229.08646	54.6
230.05849	1.4
230.08968	2.0
231.10153	2.8
233.08107	28.0
234.08434	1.4
241.08652	3.6
245.08086	3.7
247.09747	7.8
257.08203	1.6
259.09732	9.7
261.07590	1.8
261.11285	2.6
270.03854	5.1
273.07623	26.3
274.07983	2.8
275.09302	5.7
277.10764	31.7
287.09201	4.0
291.08649	1.2
293.10223	6.1
305.10178	1.9
331.08206	3.3
349.09253	8.2
350.09903	1.2
367.10291	97.8
368.10730	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	365.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15809	1.8
59.01246	15.8
68.35448	1.5
69.28091	18.8
71.01234	6.1
72.99174	34.9
74.76365	1.5
75.00746	2.4
87.00731	11.8
89.86263	1.6
92.66674	1.6
98.20564	3.5
98.98269	1.6
99.00757	3.0
101.02316	2.5
103.00246	100.0
109.02824	10.7
110.58337	1.8
113.02290	2.7
121.02810	4.0
122.03603	3.9
123.00716	1.9
123.04420	3.9
124.01560	2.9
128.67340	2.1
130.99748	1.7
135.04398	4.3
137.02339	40.7
146.03641	6.5
146.99226	5.3
147.04393	3.6
148.05139	3.5
149.02296	2.3
149.05882	2.6
150.03177	3.6
151.03915	4.1
151.07552	10.6
154.85701	2.2
158.03648	4.7
159.04449	8.7
160.05116	1.9
161.02345	12.3
161.06003	3.4
162.03107	10.2
163.03925	4.7
163.07582	12.7
165.01848	4.5
165.05511	2.9
172.05191	3.7
173.05986	14.2
174.03166	8.3
174.06750	2.3
175.03946	9.1
175.07556	11.6
176.04700	17.2
177.01881	3.2
177.05406	4.8
177.09097	7.1
179.03412	38.2
180.04137	11.6
181.19472	1.8
185.06107	1.8
187.03966	9.9
187.07553	13.2
188.04698	13.5
188.07919	2.0
189.05489	7.1
189.09222	8.4
190.02650	2.0
191.03345	4.0
191.07048	7.4
191.10699	1.9
192.07796	4.9
193.08531	3.4
199.07536	4.3
200.04727	5.8
201.05511	10.1
201.09145	5.3
202.02640	9.6
202.06265	3.9
203.03423	1.8
203.07074	19.3
203.10704	2.5
204.04175	6.7
204.07611	2.1
205.08618	28.3
206.09198	1.8
213.09116	5.0
215.07126	12.3
217.05087	3.8
217.08673	16.3
219.06615	10.9
219.10126	3.4
220.07288	11.7
221.07970	3.0
227.07065	6.3
229.05127	2.3
229.08742	9.1
230.05751	2.3
230.09430	2.9
231.06613	3.1
231.10249	14.6
233.08144	28.7
234.08882	4.3
241.08546	5.5
245.08163	7.2
247.09741	4.3
249.11272	9.6
257.08081	5.4
259.09726	17.2
260.10107	1.8
273.07733	6.1
275.09201	11.7
277.10779	27.9
278.11237	2.7
291.08682	2.5
303.08704	5.6
365.08731	74.3
365.13354	3.6
366.09045	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	360.057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01229	12.6
67.08360	9.3
69.39030	100.0
82.44769	10.2
90.32400	9.8
98.20544	22.7
103.00238	60.3
109.02847	12.6
111.92143	10.8
136.85564	10.1
153.01964	10.5
183.26219	10.8
301.61679	10.3
342.04388	12.8
360.05576	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	362.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10949	11.6
59.01249	32.5
70.34122	10.9
71.55946	17.8
72.99178	47.8
73.02836	16.4
75.54095	11.3
87.00758	28.1
93.03325	12.1
103.00258	100.0
109.02822	26.2
123.04389	16.1
125.02323	16.7
135.04332	16.6
137.02367	18.3
164.03445	12.8
253.30354	13.1
344.06284	45.1
362.07190	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	26.2
71.02532	0.7
71.56520	1.2
76.33237	0.7
82.45497	0.8
127.49203	0.8
259.20786	0.7
277.21707	100.0
278.22031	8.0
294.28604	0.8
359.22049	14.1
360.22458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47614	1.1
57.03314	9.1
59.01237	1.9
65.32394	1.3
69.03318	1.2
71.06787	3.1
82.27180	1.2
82.66116	1.1
85.06448	3.4
93.03335	4.2
93.06976	15.9
97.06496	1.3
112.96494	1.2
121.02828	8.5
122.03619	2.7
123.00765	2.2
124.01543	1.7
132.13332	1.4
136.05177	1.7
137.02333	7.5
137.05910	1.5
143.04948	1.5
143.10643	4.6
147.04407	4.3
149.02377	3.2
149.05995	7.1
150.03113	9.8
153.12769	2.0
158.03639	4.7
159.04399	13.8
160.03859	2.3
160.05203	40.2
161.05968	13.4
163.03908	7.8
164.04672	6.8
173.06009	6.9
175.03918	2.4
175.07561	31.3
176.04637	1.8
176.07857	1.2
177.05473	10.6
178.06279	7.6
179.03410	1.4
190.06261	1.7
193.04999	2.7
193.08650	3.4
205.08580	1.6
207.06641	1.2
229.18042	35.3
329.13919	100.0
330.14291	8.1
344.12607	2.1
359.11276	4.9
359.15033	4.4
359.27997	9.7
360.28354	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	359.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
66.43758	0.6
67.05444	0.7
69.46850	3.9
69.47256	1.8
71.01242	1.2
87.00759	0.9
93.03353	0.9
96.95872	1.0
98.19821	1.5
107.04903	20.1
107.05618	1.4
108.02068	1.5
110.30814	0.8
121.02840	2.1
121.06469	2.1
122.03605	1.2
123.04397	3.8
133.06493	3.6
134.03612	1.9
135.04404	28.0
136.04787	0.9
137.02315	1.1
148.05150	0.8
149.02312	1.8
149.05981	12.5
150.03117	7.5
151.03813	0.7
155.95749	0.7
157.22922	0.8
163.03897	2.0
164.04646	0.9
165.05437	4.5
166.06151	1.1
177.05458	5.3
179.07040	24.4
180.07826	60.0
181.08174	2.6
182.05794	1.6
192.07610	1.0
193.04958	0.9
194.05809	3.5
194.09460	3.5
195.06587	1.9
195.10196	6.4
208.07355	14.7
212.06824	3.9
220.07280	0.8
222.08833	1.9
223.09691	100.0
224.09985	5.9
226.08412	5.2
227.07053	3.1
235.09727	1.8
243.30522	0.7
269.08118	1.9
283.09595	0.9
297.07535	1.7
299.05603	2.3
300.10010	2.6
311.09332	1.7
315.12396	1.4
316.13120	1.0
326.11591	1.8
331.15543	4.5
341.13742	1.9
359.07776	8.3
359.14905	8.5
360.08047	0.9
360.15289	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1136
Annotation	Barbatic acid
Peak:m/z	Relative Intensity
57.01803	0.7
59.01251	10.2
71.13319	1.7
75.00707	0.9
79.01753	4.8
89.76963	0.8
93.03308	1.4
105.03331	2.1
107.04842	1.3
108.02066	3.1
109.02843	2.0
111.04382	5.3
120.02106	1.1
120.87566	0.8
121.02838	3.0
122.03613	5.3
123.04402	3.2
123.71307	0.8
124.01527	0.8
135.04402	3.6
136.01523	5.9
137.02333	11.1
146.98508	0.8
148.01561	5.4
149.02336	3.1
150.03145	7.4
151.03915	4.4
152.04680	14.8
153.01831	0.8
153.05545	4.3
154.02617	1.5
163.00241	2.5
163.03894	7.4
164.01045	10.5
165.01849	5.6
165.05417	3.9
165.12669	0.9
167.03467	0.9
167.07051	19.7
168.07399	1.0
174.99197	1.2
177.05779	0.8
179.03416	54.0
180.03798	2.6
193.01340	4.5
193.04973	1.4
194.92743	1.4
195.06595	1.7
197.04460	3.9
201.02509	1.3
207.02919	47.4
208.03268	2.4
216.98419	1.1
217.00282	8.9
222.05333	4.2
223.05862	0.9
239.07114	0.8
241.04974	2.3
242.05704	1.1
252.04181	1.2
253.05087	2.5
254.05853	0.9
267.06580	2.1
268.07440	1.1
269.04529	7.5
269.07947	2.0
270.05252	1.8
273.07672	1.2
276.93109	0.8
283.06052	1.2
284.06909	5.9
285.07608	3.8
286.04834	2.9
297.03799	1.2
299.09216	12.4
300.09946	3.9
301.07181	19.5
301.10260	0.9
302.07532	2.0
312.06284	1.3
315.12228	2.5
316.09546	4.3
327.08646	1.9
331.11865	100.0
332.12177	9.6
344.12320	1.0
358.74072	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	2.5
59.01248	34.8
71.01257	19.8
71.57836	1.9
72.99183	2.7
83.01257	1.5
85.02836	3.6
87.00772	1.3
89.02317	18.6
94.69793	1.0
95.01339	1.2
101.02314	13.9
111.94414	1.4
113.02324	6.9
118.90800	1.2
119.03410	7.2
123.04385	1.8
133.02879	2.2
136.05238	1.3
149.02393	2.1
151.03889	5.8
159.32475	1.1
161.02271	2.0
162.03128	72.5
163.03543	5.3
177.01976	8.7
177.05478	100.0
178.02756	1.2
178.05806	3.9
180.04283	1.3
195.06540	7.5
346.11206	1.4
357.08054	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
70.93506	5.1
71.01254	4.4
92.66880	2.3
106.97237	2.2
109.02793	2.9
121.02843	26.1
181.06537	2.5
189.25433	2.7
197.09563	2.3
223.13429	3.6
223.20518	2.6
253.21719	3.0
313.07083	3.2
357.06223	8.4
357.26517	12.8
357.30188	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	359.0772
Annotation	3,5,7-TRIHYDROXY-3',4',5'-TRIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
58.00463	1.6
59.01243	2.3
69.57131	3.1
69.57538	2.2
71.01254	2.7
72.99179	75.1
75.00710	0.7
85.99931	1.3
93.03320	1.9
96.95840	1.0
103.00226	1.9
106.04124	36.4
107.04932	1.7
108.02045	8.5
119.04903	1.9
121.02836	35.9
122.03157	1.1
123.04388	1.2
130.04134	5.6
132.02061	13.0
134.03613	1.8
135.04376	1.7
138.03148	2.5
145.02821	3.0
147.04420	3.2
150.03053	1.5
164.04749	2.5
182.07327	2.3
183.08032	2.4
197.05920	0.8
211.07550	19.8
212.07817	1.4
223.07526	1.3
235.07582	2.4
237.05534	14.3
238.06146	1.6
239.06992	1.0
251.07030	1.3
253.08655	9.9
254.09109	1.2
255.06601	4.0
267.06671	2.9
269.08163	83.9
270.08478	6.3
279.06607	2.0
283.06100	18.7
285.07639	1.3
297.07645	32.2
298.07993	1.7
313.07199	3.1
315.08722	2.3
338.02087	0.9
359.07690	100.0
360.08136	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	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01245	0.2
59.13250	0.2
59.38708	0.2
61.09913	0.2
63.60968	0.2
77.03831	0.3
82.65913	0.2
83.19608	0.2
93.03294	0.2
95.29526	0.2
98.20583	0.3
121.02839	100.0
122.03159	3.6
162.48322	0.2
165.01895	1.0
180.05759	1.7
181.06502	6.8
182.06813	0.4
225.05521	5.9
226.05861	0.5
269.08240	0.5
313.07166	8.8
314.07462	0.9
357.06134	32.4
358.06442	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2276
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
50.79499	1.3
54.85677	1.1
59.01249	2.5
85.02797	3.0
97.76670	1.2
109.02799	1.6
121.02777	1.3
122.03609	9.3
135.04410	25.6
147.08043	2.8
149.09583	7.1
151.07492	2.9
154.02634	4.1
159.10353	1.4
159.24413	1.3
161.09631	8.6
162.00848	1.3
163.07561	3.2
163.11192	53.4
164.08333	15.4
164.11475	2.5
165.09090	7.6
177.09123	66.7
178.09906	18.0
179.10686	72.5
180.11000	4.4
187.11177	1.8
191.10704	13.1
193.08638	7.7
229.49445	1.2
280.14511	2.1
298.15717	57.0
299.16055	4.7
307.17126	1.7
309.22144	1.6
327.12436	1.3
337.21698	50.5
338.21924	6.1
340.20392	82.3
341.20706	10.0
355.22763	100.0
356.23083	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	356.0408
Annotation	Aristolochic acid IVa
Peak:m/z	Relative Intensity
52.96509	2.1
54.17417	2.5
59.01226	2.7
63.02242	6.6
65.00206	15.9
65.99715	3.9
75.85049	2.1
83.01242	7.6
93.03315	2.1
95.01236	8.4
96.99193	3.0
99.00729	6.0
107.01284	18.1
107.25600	2.4
108.99108	2.0
109.02849	11.0
109.99969	13.6
111.00755	19.5
116.87743	1.9
121.02811	9.7
123.00720	7.2
124.01528	8.0
125.02301	8.4
132.04372	2.4
133.02792	4.0
134.02280	2.5
135.00740	4.8
135.04335	2.7
136.01503	6.2
136.98682	3.8
137.02296	5.4
137.99480	5.2
138.99405	2.2
139.00255	27.7
139.03908	2.9
141.01750	3.7
145.02794	3.0
146.65497	2.2
147.00829	2.5
148.01509	4.2
148.03891	6.7
149.02341	21.9
151.00272	43.3
151.03865	4.2
152.01089	12.2
153.01729	3.0
158.02315	5.1
159.04242	2.1
160.03923	5.7
161.02364	10.6
161.05925	2.5
162.01823	9.6
163.00301	13.9
163.03833	2.6
164.01059	12.6
164.03256	2.3
164.98189	11.7
165.01782	5.3
165.98993	14.1
166.99751	14.5
169.01273	9.7
175.00192	7.8
175.03757	4.3
176.01015	2.9
176.03461	12.3
177.01851	13.2
178.99776	43.1
183.04372	2.7
186.01862	12.2
187.03897	7.6
188.03362	3.9
189.01868	3.0
190.01297	3.7
190.04951	2.6
190.99806	3.0
192.00513	5.5
193.01360	22.3
194.99268	11.9
198.01790	5.3
199.03972	3.9
201.01807	3.2
202.01367	11.3
203.01950	3.7
204.02846	6.3
206.99136	3.4
207.99991	4.1
209.00443	4.2
211.03835	7.6
212.03403	3.0
214.01349	13.6
215.03423	5.7
218.00812	5.3
219.03004	3.1
226.02864	2.4
227.03334	6.8
228.02902	3.2
229.01364	2.3
229.04993	3.5
230.00793	5.1
231.02705	3.5
238.04829	2.4
239.03566	4.2
242.02089	5.7
242.04445	3.1
243.02919	12.1
252.02786	2.6
255.02853	7.6
257.04459	6.5
258.04095	4.4
259.02313	5.2
264.02997	3.1
266.04370	4.7
267.02838	2.9
270.01535	6.4
270.04102	3.7
271.02499	22.9
272.02896	4.5
282.04245	2.5
283.02197	6.8
284.05588	4.2
285.03864	9.5
287.01846	9.6
294.04080	3.2
298.00882	5.3
299.01938	17.1
301.03494	11.7
310.03363	9.9
311.02014	27.4
312.05124	3.8
316.02209	100.0
317.02734	12.7
320.01938	3.2
328.04172	5.3
329.02948	22.0
338.03012	26.0
339.03366	2.8
356.03879	83.4
357.04272	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	355.1034
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
55.01746	0.8
59.01246	8.7
60.42033	0.8
69.34914	0.7
70.72655	0.7
71.01258	5.0
71.57378	1.2
85.02843	1.1
89.02329	3.1
90.01073	0.7
93.95214	0.7
101.02319	2.5
113.02335	2.0
117.03321	0.9
117.11398	0.7
119.04916	1.3
121.02824	0.8
125.02319	3.0
126.10818	0.7
132.02051	14.0
134.03616	9.0
138.34596	0.8
149.05966	3.0
151.03856	0.9
160.01563	66.2
161.01956	1.7
163.03906	1.5
165.01883	2.1
174.01694	1.1
175.03915	100.0
176.04277	5.7
178.02658	0.8
191.07059	2.7
193.01257	0.8
193.04977	19.6
202.02594	1.0
207.06656	1.3
217.04947	5.5
228.38641	1.0
235.06102	3.0
265.07196	2.1
295.08173	2.0
355.10318	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	355.1032
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01246	5.8
70.91683	6.2
71.01257	5.2
72.99188	2.6
73.02802	5.7
74.81690	2.6
75.00757	3.9
83.01261	4.2
85.02823	6.9
87.00708	4.3
101.02315	3.8
103.64928	2.1
113.99471	3.8
115.00232	7.8
121.74976	1.9
125.02343	4.4
132.96722	2.2
134.03638	7.0
137.02342	6.7
149.05965	5.3
151.03920	3.0
174.01611	83.1
174.03131	4.3
175.02158	4.6
178.02618	3.4
179.07054	2.8
193.01344	7.1
193.05002	10.2
209.08167	4.5
221.08185	2.9
237.07594	5.4
257.48224	2.5
265.07156	12.3
295.08173	10.3
308.25641	2.7
355.06891	3.6
355.10327	100.0
356.10608	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	355.1033
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
55.10529	0.4
58.00461	0.5
59.01247	8.4
62.35373	0.3
69.97578	2.1
71.01243	4.1
72.99178	0.9
76.78490	0.4
78.36337	0.3
83.01210	0.4
85.02829	1.5
89.02325	3.1
101.02297	2.2
113.02332	1.6
119.03389	1.0
119.04848	0.5
132.02058	13.7
134.03624	8.3
135.04187	0.4
147.04384	0.8
149.05972	1.6
150.71095	0.4
160.01563	67.4
161.01900	2.5
163.03864	0.6
172.90076	0.4
174.03209	0.4
175.03912	100.0
176.04280	5.3
191.07050	2.0
193.04985	17.6
193.06784	0.7
194.05312	0.6
202.02602	1.0
217.05005	5.4
235.06044	3.4
265.07239	1.1
294.22324	0.4
295.08231	1.7
355.10306	5.9
355.14191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
56.00142	0.2
59.01247	0.7
75.73811	0.2
79.95617	0.3
96.95866	1.9
147.08084	0.5
163.11192	88.4
164.11523	4.0
177.09123	69.6
178.09457	3.5
186.55280	0.3
222.08919	0.9
296.87759	0.3
299.22995	0.3
353.21191	100.0
354.21530	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	353.2336
Annotation	8-iso-13,14-dihydro-15-keto-PGF2alpha
Peak:m/z	Relative Intensity
54.81451	1.4
57.03313	5.7
59.01244	3.6
61.12072	1.4
69.72267	9.7
71.01272	1.9
72.02058	1.9
77.89728	1.4
83.04897	5.9
84.50005	1.2
85.02829	3.1
87.04388	76.7
88.04745	1.5
93.72066	1.3
97.06478	2.2
97.43024	1.3
99.04383	5.3
101.05961	4.0
115.07489	1.9
167.84450	1.2
203.17981	5.9
209.15453	2.7
215.18022	1.9
233.18863	1.9
259.26685	1.3
269.62173	1.5
273.22137	2.2
309.24365	2.9
344.52740	1.4
353.16354	2.5
353.23312	100.0
354.23642	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	355.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71635	9.0
59.01250	15.6
62.44788	8.8
65.51131	10.4
70.71738	27.6
71.01245	25.1
72.99201	12.1
73.02822	13.0
86.40513	9.9
97.02879	13.3
99.00758	15.8
100.74581	8.8
103.00243	100.0
139.00233	15.2
141.74896	8.9
153.01884	13.6
321.04642	9.9
355.04938	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	353.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68827	6.5
59.01250	12.9
63.58604	5.9
70.92648	14.1
70.93026	12.9
71.01292	7.9
72.99184	70.1
74.95167	6.2
87.00729	10.1
103.00257	25.2
119.04898	7.0
121.01139	6.6
122.03566	6.1
123.04469	9.9
144.04413	6.2
147.87622	6.9
151.11946	6.0
160.07588	12.1
163.03891	8.3
165.05403	8.8
170.06023	6.1
186.05580	7.7
187.07419	7.9
196.88452	6.6
200.07283	10.9
218.08177	8.9
245.09196	8.6
262.60031	7.0
263.10245	12.8
279.09720	7.2
329.54535	7.4
335.08777	18.5
353.09875	100.0
354.09741	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	353.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61630	1.0
59.01237	3.1
71.56525	1.9
75.31652	1.4
79.95612	11.2
93.83947	0.9
95.66290	1.0
95.95132	1.5
96.95889	82.6
99.10774	1.2
105.15678	0.9
122.97449	5.2
149.85004	1.0
158.80150	1.0
228.95703	1.3
233.01640	0.9
353.20010	100.0
354.20245	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	353.0275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52821	25.5
57.01740	26.0
59.01265	28.5
60.21569	29.3
70.29970	55.7
70.30371	46.1
73.01890	31.8
83.35755	26.4
96.95877	100.0
103.00248	40.9
116.28596	24.2
118.09689	26.5
191.03360	33.2
233.01321	34.7
247.02406	67.6
255.05045	47.4
291.01419	73.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87046	0.7
57.32489	0.9
59.01242	1.6
69.44951	4.5
69.45372	1.8
71.01237	1.5
77.89976	0.7
82.90038	0.9
83.04901	1.6
87.00747	100.0
88.01046	1.4
91.05407	1.6
93.03335	1.9
97.06467	5.1
101.05959	1.3
105.03338	1.1
107.04899	14.1
108.02037	1.1
111.04376	1.8
112.05149	1.3
115.00228	0.8
119.04837	0.9
120.39070	0.9
121.02837	23.5
121.23058	0.7
122.03632	17.1
123.04419	1.7
124.01524	1.2
130.99754	41.2
134.03607	9.9
135.04384	3.1
137.02324	7.7
139.03899	1.5
141.23491	0.7
147.04413	15.6
148.05208	4.7
149.02342	3.2
149.05983	0.9
154.02576	3.4
158.83429	1.0
163.03906	8.0
164.04649	4.9
165.05409	1.3
166.02629	1.6
175.07582	0.9
182.43208	0.7
190.09937	1.9
191.03423	2.8
191.10703	18.8
192.04196	6.2
192.11028	0.8
192.95824	1.2
194.02090	2.4
201.09068	1.8
219.10147	6.2
240.23021	0.8
254.04276	39.5
255.04646	2.4
289.10635	1.2
291.08746	6.3
294.22903	0.8
351.10812	39.6
352.11044	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	349.2745
Annotation	Plakorsin B
Peak:m/z	Relative Intensity
57.41078	0.5
58.02098	0.6
59.01242	0.7
67.95547	0.5
71.51724	0.9
79.95583	0.6
86.34938	0.5
87.95325	0.5
122.03616	46.6
123.03907	1.0
135.04417	9.0
136.05164	1.0
136.15392	0.5
149.05965	2.3
154.02591	1.6
163.07527	2.4
177.09105	3.7
191.10715	2.1
205.12212	0.8
215.77420	0.6
219.13971	0.6
233.15524	1.0
260.88437	0.6
334.25165	1.7
347.25876	4.2
349.27441	100.0
350.27792	11.2
370.80981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1082
Annotation	Plumbaside A
Peak:m/z	Relative Intensity
59.01230	6.4
63.05804	2.0
69.03325	3.6
69.18513	1.9
71.01261	3.2
71.57681	2.6
76.59335	2.0
79.54017	2.1
87.00748	60.1
97.06446	9.2
121.02822	6.1
122.03579	2.1
123.04414	5.5
130.99791	9.8
133.01353	2.3
146.03642	12.6
147.04416	6.5
149.05989	4.9
159.04439	3.0
161.05972	4.7
163.07578	4.0
172.05264	6.7
173.05965	5.0
174.03113	4.6
175.03897	5.6
175.06203	3.7
175.07564	39.2
176.04704	3.8
186.06732	6.5
187.07539	9.6
188.04674	6.9
189.05489	9.2
189.09259	2.3
190.06203	10.6
200.04738	15.1
201.05254	3.0
201.09125	19.4
203.07048	15.4
204.07831	5.7
211.07779	2.7
214.06207	2.1
215.07191	4.4
216.04253	2.1
216.07872	2.3
217.08780	10.3
219.10208	23.4
227.10722	8.8
229.08667	55.2
230.09067	3.3
243.10278	2.7
245.08183	5.6
245.11725	4.0
247.09735	8.5
254.04286	5.9
261.11316	4.7
271.09677	4.6
273.07697	36.7
274.08093	3.3
289.10675	5.0
333.09583	16.4
334.09653	1.9
351.10825	100.0
352.11169	10.6
373.40536	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	349.1865
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
52.23588	2.1
55.01751	4.3
57.03320	3.1
58.00467	3.8
59.01248	100.0
59.90163	2.0
70.86646	5.7
71.01252	88.5
71.94701	1.8
72.99168	6.3
73.02815	9.5
78.98005	2.0
83.01264	5.8
83.28770	1.8
85.02825	23.6
87.00751	5.8
87.04353	1.8
89.02311	69.7
95.01254	6.8
97.02802	2.4
99.00760	5.8
101.02318	54.9
113.02320	34.7
119.03391	36.3
125.02438	2.1
131.03375	3.7
131.28551	2.3
143.03406	4.7
149.04448	2.9
157.80905	2.2
159.02887	4.7
161.04434	24.1
179.05551	10.1
187.13310	9.8
218.50252	2.0
349.14661	4.4
349.18665	45.1
350.18839	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	349.2383
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
59.01244	1.6
68.14644	0.6
81.03310	1.3
97.24471	0.6
122.03574	0.9
126.10204	0.7
263.23792	4.3
287.23779	21.9
288.24268	1.4
289.21802	2.9
305.24780	6.1
313.21799	1.0
315.67477	0.6
330.31750	0.8
331.22760	52.7
332.23044	5.4
349.23822	100.0
350.24115	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0555
Annotation	3'-AMP
Peak:m/z	Relative Intensity
55.38881	0.4
71.01226	0.9
78.95773	100.0
96.96837	26.7
105.46078	0.4
107.03532	1.0
108.22900	0.4
134.04617	15.2
138.97914	1.3
150.97920	3.4
152.00009	0.4
192.99001	1.0
211.00092	3.0
215.19864	0.4
220.53841	0.4
245.90277	0.4
257.99194	0.4
346.05551	22.0
347.05710	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	14.3
69.91216	21.4
71.01242	10.0
72.99181	60.3
75.00734	8.3
81.62311	3.8
85.02824	5.9
87.00747	11.2
95.04892	5.3
97.02821	4.4
100.98657	7.9
103.00245	100.0
109.02815	9.0
111.04365	4.9
113.02303	4.0
121.02823	6.6
123.04397	11.4
125.02305	6.0
135.04385	12.5
137.02361	6.8
139.03880	5.8
146.99240	16.6
147.04408	7.7
148.03914	4.3
149.00832	3.4
151.03847	5.0
155.03311	4.0
162.05531	4.2
164.03403	4.0
165.05547	5.3
175.03737	4.0
180.06648	7.5
182.20317	3.4
193.05032	4.7
270.06180	10.8
285.11896	3.7
328.06720	9.4
346.07706	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	2.2
68.99687	1.6
71.57432	0.6
71.57815	0.9
73.00721	0.5
73.68676	0.6
78.95777	0.8
90.69250	0.5
92.78385	0.5
93.03335	43.2
94.03660	1.6
95.01258	1.0
95.13988	0.5
108.02039	4.9
123.04432	1.6
134.62523	0.5
135.04408	100.0
136.04768	4.7
142.48730	0.6
151.03896	2.4
163.03905	3.7
165.05463	0.5
166.06310	4.0
177.05482	12.0
178.05777	0.9
179.03403	3.1
181.08585	3.3
192.07860	5.2
193.05016	1.1
194.05746	0.7
207.10199	9.9
209.08134	22.5
210.08409	1.2
290.97116	1.1
327.12305	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	344.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00457	5.8
59.01247	100.0
67.08916	2.1
71.01248	74.0
72.01611	2.6
72.99175	6.6
73.02794	2.3
74.24477	2.0
83.01233	3.3
85.02827	9.8
89.02311	73.3
94.83058	1.8
95.01257	5.3
101.02313	39.3
109.29878	2.0
113.02321	26.8
119.03377	30.8
121.02849	4.0
123.04443	2.7
125.02329	3.0
131.03381	2.7
133.69345	2.3
143.03429	7.4
149.04494	2.1
151.00250	4.1
152.03442	4.2
154.42094	1.8
155.08887	2.4
161.04448	3.1
165.04260	2.5
166.05013	19.6
179.05502	8.7
180.02966	5.5
182.04501	68.9
183.04852	2.9
206.04465	4.3
224.05609	14.1
236.05554	5.9
241.04791	2.5
242.05887	3.1
254.06659	2.8
284.07703	4.2
286.04730	2.1
291.66162	2.3
291.70071	2.6
301.03900	3.2
301.07022	16.3
344.09842	76.4
345.09955	6.3
369.43411	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	344.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25699	4.7
59.01245	10.4
65.99705	13.3
71.01270	10.3
71.57970	8.2
72.88059	4.3
81.72479	4.2
83.01267	15.2
89.87703	5.3
93.03342	9.8
95.01228	13.0
95.04850	5.7
97.02827	10.2
98.02377	7.5
99.00751	12.1
109.02824	39.1
111.00761	26.4
121.02858	17.3
123.00772	19.8
123.04398	27.2
124.01594	8.4
125.02341	70.9
133.02829	7.9
135.04445	13.3
137.02354	81.7
137.03334	9.4
138.03131	14.6
139.00258	25.8
139.03876	18.0
141.01872	6.8
145.02731	5.0
147.04456	4.9
148.03937	17.9
149.02327	36.9
150.01901	6.1
151.00279	9.9
151.03925	19.1
153.01834	21.8
159.04510	5.8
160.03978	12.7
161.02368	33.3
161.05922	7.4
162.01897	11.1
162.03194	4.9
163.03906	14.8
164.01039	14.5
164.03450	20.0
165.01849	19.3
167.03464	25.3
172.03938	16.3
173.02362	6.5
173.05945	6.5
175.03975	12.0
176.03450	28.4
177.01877	17.4
177.05569	6.3
178.01430	12.6
178.04962	8.8
179.03430	27.4
181.01344	12.5
182.04474	8.0
188.03326	8.3
189.05516	9.9
191.03360	7.4
195.02899	6.8
200.03569	7.4
203.03481	8.5
204.02840	9.3
206.04480	7.6
215.03442	8.9
217.05048	9.4
218.04611	7.4
227.07040	6.4
231.06532	17.4
241.05080	9.7
255.06505	10.0
258.07666	8.1
273.07651	9.0
282.07739	7.0
297.05542	7.4
299.05823	6.6
304.06052	10.8
308.05701	5.8
317.06619	12.7
326.06516	25.3
344.07690	100.0
344.14133	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	343.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44571	0.8
56.95283	0.8
59.01242	2.2
70.58730	2.6
79.01770	1.5
91.82795	0.9
92.84557	0.7
93.03326	4.9
95.04890	1.2
102.80076	0.9
107.04900	4.6
116.64788	0.7
119.04898	3.6
119.46632	0.8
121.02853	4.9
121.06479	0.9
123.04408	15.3
125.05992	4.9
133.02859	10.0
134.03593	3.2
135.04407	11.2
146.57527	0.8
149.02318	1.7
149.05974	5.6
150.03123	2.0
151.03912	19.3
165.05482	7.7
166.06245	14.7
177.01854	6.3
178.02634	16.7
179.03398	5.5
181.08618	20.3
188.03012	0.8
193.04991	57.0
194.05522	1.9
207.02942	8.8
209.08051	1.7
211.05995	2.8
221.04501	49.0
222.04755	2.1
226.06149	0.8
236.06830	2.8
237.07507	1.7
239.06985	1.4
241.08589	1.6
253.04973	2.4
257.04449	1.4
257.08142	1.8
267.06546	2.4
268.07422	11.7
269.07974	5.1
271.06247	1.0
283.09763	18.3
284.03375	0.9
284.10443	2.9
285.04221	2.5
285.07660	40.2
285.87689	1.0
286.07965	3.3
296.06927	1.9
299.05646	1.4
299.12766	2.1
300.10135	3.7
311.08960	1.3
313.03671	1.0
315.12372	100.0
316.12695	8.5
326.54813	0.8
328.05890	2.0
343.08041	3.9
343.11603	1.7
344.08517	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1183
Annotation	Carpinontriol A
Peak:m/z	Relative Intensity
56.71226	0.2
59.01242	1.9
71.56799	0.3
71.57179	0.3
86.72552	0.2
89.02308	0.3
107.04903	0.7
108.46308	0.2
109.02836	0.3
117.03374	0.2
119.03309	0.2
121.02856	0.4
134.03638	2.3
135.04407	100.0
136.04747	3.4
136.46024	0.2
146.54657	0.2
149.06007	0.4
161.02284	0.6
163.03926	0.3
166.92218	0.2
174.14313	0.2
177.01857	0.3
177.05505	1.4
178.02615	0.6
193.05028	1.0
201.02521	1.0
206.05804	0.6
238.04749	0.8
343.11823	21.1
344.12210	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99534	1.3
57.03337	2.4
58.00452	4.6
59.01250	88.8
68.84971	1.7
68.86813	1.3
70.14918	2.7
70.15327	4.4
71.01254	70.4
71.03704	1.3
72.99179	4.9
73.02810	3.4
77.43311	1.2
84.02030	12.3
85.02836	9.6
87.00760	4.0
89.02312	67.5
90.53345	1.3
95.01262	1.6
97.02827	5.9
97.06450	7.1
99.00757	2.2
99.04400	4.3
101.02318	32.1
113.02340	20.0
119.03381	23.1
128.30119	1.4
131.03407	3.6
143.03392	5.6
145.34973	1.4
149.04430	2.4
150.99980	1.4
161.02391	3.0
161.04466	7.3
161.40669	1.6
171.10181	35.6
178.42546	1.5
179.05524	21.6
183.13828	4.0
193.12268	7.3
209.11829	3.1
211.13280	3.9
225.14954	13.8
243.15900	3.1
291.19742	2.4
314.12830	1.4
341.10812	24.2
341.23303	100.0
341.26868	4.6
342.11270	1.9
342.23489	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	341.1084
Annotation	Trehalose
Peak:m/z	Relative Intensity
55.01738	1.8
57.03326	1.8
58.00457	3.3
59.01246	100.0
66.06427	1.1
70.03093	5.9
71.01248	63.0
72.01569	1.4
72.99188	3.5
73.02803	1.7
83.01238	1.4
83.18034	1.1
85.02821	8.1
87.00741	3.6
89.01753	2.8
89.02308	57.4
95.01256	4.4
98.20393	1.9
101.02315	24.8
103.19031	1.2
107.04908	3.2
108.78577	1.2
113.02330	19.2
119.03372	14.3
131.03398	3.7
143.03378	4.0
149.04510	1.4
149.76164	1.1
161.04454	5.0
163.03964	1.4
179.05533	14.2
211.02550	1.2
289.94846	1.3
298.32190	1.4
341.10892	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	341.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35663	0.5
57.03311	1.1
59.01249	14.0
65.81527	0.5
69.03325	2.0
71.01248	10.4
72.99183	0.8
75.28029	0.6
80.94026	0.5
83.01289	0.5
83.04909	1.2
84.02042	6.0
85.02815	1.7
89.02313	10.8
92.03905	0.5
95.01276	0.6
95.04896	0.8
97.02838	2.0
97.06461	11.5
98.20604	1.0
99.04395	1.5
101.02321	4.3
111.08017	0.6
113.02339	3.9
119.03374	2.7
119.05025	0.5
119.08532	0.9
125.09601	1.6
135.08063	0.6
137.09622	1.5
138.57611	0.6
143.03439	1.0
149.13280	1.0
151.11151	0.7
161.04391	1.0
161.21422	0.6
165.12762	1.2
171.10178	19.3
172.10547	0.8
175.11255	1.1
179.05557	3.6
183.13864	0.7
193.12270	15.5
194.12677	1.0
211.10898	0.5
211.13376	2.4
221.11743	1.1
225.14896	18.5
226.15340	1.0
243.15990	10.0
244.16251	0.8
253.14467	1.5
256.54916	0.6
256.65042	0.5
273.18747	0.7
291.19708	2.4
305.21243	1.1
309.20700	0.6
341.11142	3.7
341.23300	100.0
342.11169	0.7
342.23624	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	341.0874
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.40671	0.2
59.00953	0.3
59.01248	6.4
61.95506	0.2
70.04868	0.4
70.05239	1.0
71.01250	3.4
72.99174	0.3
83.01305	0.2
85.02821	0.7
89.02312	2.6
95.01255	0.3
98.19823	0.3
101.02316	1.4
104.02526	0.3
105.03339	0.5
113.02327	1.0
115.01760	0.3
117.03358	0.3
119.03381	0.9
122.14375	0.2
123.04350	0.2
132.02040	1.2
133.02841	30.8
134.03154	1.2
135.04402	7.9
144.86058	0.2
149.05957	0.9
153.23041	0.2
161.02339	100.0
161.95021	0.2
162.02682	3.8
175.03876	0.4
177.05490	1.1
179.03407	18.9
180.03725	0.7
189.05453	0.4
193.13785	0.2
203.03416	2.8
221.04501	1.4
251.05594	1.1
281.06631	2.2
316.64987	0.2
321.12213	0.2
341.08698	13.4
342.09039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	6.8
70.04889	0.7
70.05302	1.1
71.01250	5.0
72.99170	0.4
85.02802	0.8
89.02311	5.3
93.23348	0.3
101.02302	2.1
102.30879	0.3
113.02316	1.4
119.03419	1.5
132.02051	1.2
133.02838	22.9
134.03149	0.5
135.04411	10.4
135.05437	0.7
143.03435	0.3
149.06033	0.7
161.02336	100.0
162.02689	3.9
175.03917	0.5
177.05484	1.2
179.03403	18.4
180.03719	0.6
182.81410	0.3
203.03427	2.4
221.04460	1.3
251.05582	1.1
281.06506	1.5
341.08624	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	340.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13324	1.0
59.01259	1.3
62.80474	1.0
63.02266	5.0
64.51600	1.0
65.00187	5.2
69.90738	2.7
69.91146	3.7
73.66577	1.4
78.81482	1.1
83.01252	5.4
99.75777	1.0
104.12047	1.0
107.01249	10.0
108.02014	1.8
124.01540	1.1
125.02312	4.2
131.81400	1.1
133.02864	2.5
148.01608	2.5
150.99113	1.7
151.00264	20.7
152.00865	1.3
160.03937	4.8
161.02321	7.4
163.00237	2.9
164.01035	3.3
169.01407	2.9
175.03857	2.3
177.01755	1.7
178.99762	8.4
183.04431	1.6
186.01886	4.7
187.00246	1.5
193.01100	1.5
199.02487	1.5
212.03441	5.5
214.01372	23.1
215.01656	2.2
215.03587	1.4
216.04308	1.4
226.02582	1.5
227.03415	4.1
228.04152	1.2
236.03510	1.8
241.04999	1.2
243.02924	4.9
254.04608	2.8
255.02991	6.5
257.04510	1.6
267.03116	2.4
269.04578	1.9
271.02490	18.6
272.02924	2.9
285.03931	7.7
295.02377	3.7
299.02109	1.6
300.02722	100.0
301.03094	6.8
313.03580	12.1
322.03430	12.3
323.03757	2.1
340.00690	2.3
340.04523	30.5
341.04977	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	339.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	100.0
60.01593	1.6
71.01246	2.6
71.58040	1.3
72.99174	1.8
73.02774	1.2
85.02826	2.2
99.00745	1.4
99.88975	0.9
101.02312	2.5
103.00281	1.0
105.69486	1.0
113.02293	1.2
161.04488	1.1
279.14426	3.1
300.02664	1.5
318.16309	0.9
339.10730	2.3
345.68701	1.0
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
50.54663	0.4
68.07765	0.5
71.04584	0.9
86.59536	0.4
147.07938	0.5
151.05066	0.5
163.11197	100.0
164.11526	4.0
185.36604	0.5
261.52875	0.6
339.23279	48.8
340.23547	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	340.0458
Annotation	7-Methoxyaristolochic acid II
Peak:m/z	Relative Intensity
63.02269	5.0
65.00195	4.8
71.58801	1.1
83.01262	5.0
95.01241	0.8
100.89317	0.8
107.01270	10.3
108.02100	1.6
120.02115	1.1
124.01588	1.6
125.02334	4.0
132.04518	1.0
133.02872	2.5
135.00826	0.8
145.02893	0.7
148.01546	3.7
149.99432	0.7
151.00267	22.7
152.00841	1.0
157.43813	0.7
160.03943	4.2
161.02359	6.4
163.00287	2.6
164.01044	3.8
169.01353	2.2
173.06029	0.7
177.01814	2.2
178.99768	7.8
183.04529	1.0
186.01833	4.9
187.00349	2.1
188.03497	1.1
192.00610	1.0
193.01100	1.1
194.62166	0.7
212.03426	4.6
213.05618	1.2
214.01387	24.3
215.01796	0.9
215.03635	0.8
216.04285	1.1
217.04999	1.6
223.84085	0.8
227.03458	3.5
231.01538	1.0
236.03424	1.7
239.03531	1.0
241.05038	1.9
243.02888	4.4
244.03571	1.1
245.04576	0.8
254.02200	0.8
254.04578	2.7
255.02974	7.7
256.03656	1.2
257.04413	1.1
267.02997	2.4
269.04416	0.9
271.02457	16.4
272.02948	2.5
273.04129	0.9
283.02417	1.8
285.04089	8.6
294.04123	1.8
295.02335	3.7
299.01999	2.2
300.02744	100.0
301.03067	6.3
313.03476	9.5
322.03564	12.5
323.03989	1.7
340.04523	30.7
341.04974	2.3
344.83517	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	0.5
71.35505	0.2
72.99195	0.7
91.05405	0.2
101.05945	0.3
106.04134	0.5
107.04915	0.7
116.87053	0.1
117.03342	0.2
134.03639	2.2
135.04413	100.0
136.04747	3.8
191.10741	0.3
244.77043	0.1
249.11343	0.7
263.08929	0.1
277.10776	0.2
339.10754	1.6
339.14423	0.1
340.11102	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1292
Annotation	Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside
Peak:m/z	Relative Intensity
55.01749	10.1
57.03321	11.0
57.17065	4.4
59.01249	51.8
71.01254	100.0
71.11581	13.2
71.75014	5.2
72.99204	6.3
73.02820	34.3
83.01252	17.6
84.78235	5.5
85.02822	67.3
89.02316	14.5
89.30548	4.4
95.01248	10.1
99.00742	15.3
99.63902	5.1
101.02318	79.0
113.02334	38.5
126.34732	5.4
147.48087	5.5
159.02982	7.3
161.04472	43.0
177.07533	25.8
182.08012	4.9
269.17700	5.5
339.12924	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35587	6.7
57.03321	8.8
59.01241	26.7
62.75292	6.6
63.80679	6.5
65.21948	7.3
67.93772	7.5
69.03320	18.7
69.99706	34.7
71.01265	34.9
72.99174	63.4
73.02798	29.9
75.00743	8.5
81.03308	10.1
85.02811	29.4
87.00726	21.5
93.03319	14.9
97.02813	16.0
98.20449	8.9
99.00722	14.4
100.98635	8.4
103.00240	100.0
107.04918	6.9
109.02838	18.6
111.04395	19.5
112.10873	6.5
113.02276	17.1
125.02341	13.1
131.56505	6.5
135.23361	7.8
137.02307	8.1
139.03879	11.9
146.99223	8.9
167.03261	7.7
168.52715	6.5
245.03110	7.9
269.20880	7.9
339.05304	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35775	0.1
55.30092	0.1
56.65401	0.1
59.01247	0.7
69.62602	0.1
70.06472	0.5
71.01257	0.1
96.69542	0.1
96.95945	0.1
107.04900	0.4
117.03340	0.2
134.03624	2.3
135.04410	100.0
135.72969	0.1
136.04752	4.0
150.34746	0.1
172.31087	0.1
185.08415	0.1
313.84207	0.1
339.05188	0.1
339.10986	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0774
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
55.01747	1.6
57.03326	1.7
59.01242	9.3
59.26644	0.6
68.99689	8.4
69.03307	1.1
71.01247	13.4
71.12254	1.5
72.99194	4.0
73.02822	4.6
75.00754	3.6
78.95765	1.3
83.01263	4.6
85.02817	15.2
87.00748	12.3
87.01266	0.9
89.02308	5.1
92.22408	0.6
95.01261	2.2
96.96840	1.6
96.99202	0.7
97.02831	2.9
98.68754	0.6
99.00755	10.2
101.02321	5.2
103.00237	1.3
109.02877	0.7
111.00752	7.1
112.98671	1.6
113.01602	1.2
113.02328	13.8
113.99468	39.8
115.00262	15.4
117.01778	1.6
125.02355	1.2
127.00264	11.3
129.01837	7.0
139.00288	2.2
141.01842	1.7
156.64662	0.6
157.01331	15.5
169.01311	3.0
174.01610	35.5
175.02428	4.0
179.05565	1.2
207.30663	0.7
277.05624	30.9
278.05933	1.4
314.61002	0.9
337.07748	100.0
338.08026	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	337.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15470	0.6
55.01757	1.0
57.03314	0.8
57.97544	0.8
59.01250	5.0
64.24064	0.6
68.99691	3.7
69.03323	1.0
71.01252	9.2
71.15848	1.2
72.99178	2.5
73.02804	3.0
73.81388	0.7
75.00739	2.5
78.95773	2.9
83.01244	2.8
85.02821	8.5
87.00749	9.4
89.02312	2.3
95.01248	2.0
96.96830	4.4
96.99170	1.0
99.00754	8.1
101.02332	3.1
103.00235	1.9
111.00758	4.5
111.67902	0.6
112.98698	0.8
113.02318	7.3
113.99474	21.7
115.00257	11.6
117.01831	0.8
125.02326	1.4
127.00267	4.2
129.01807	3.8
133.01318	8.2
136.57793	0.6
139.00261	1.3
141.01843	1.0
157.01332	4.5
165.03970	2.4
169.01277	1.7
174.01613	20.0
175.02373	3.0
198.90611	0.9
277.05640	21.8
278.05960	1.0
337.07745	100.0
338.08127	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40726	1.4
57.46222	1.6
59.01236	2.2
62.69266	1.4
69.94574	7.4
85.02837	2.9
87.00800	1.6
99.00781	3.6
103.00211	2.9
113.02301	3.1
113.99477	10.5
115.00219	4.4
120.29510	1.5
157.01265	3.2
163.20851	1.5
174.01591	11.7
175.02257	1.5
277.05563	16.3
288.25742	1.4
334.29462	1.5
337.07733	100.0
338.07977	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	337.2383
Annotation	Sclerophytin A
Peak:m/z	Relative Intensity
51.75629	0.7
57.03311	3.5
59.01249	4.1
59.98400	1.0
63.84110	0.8
67.88057	0.7
71.01254	1.3
71.04876	2.7
72.02036	2.5
77.43195	0.7
85.02822	2.6
87.00767	0.8
87.04385	100.0
88.04731	1.5
96.95904	2.8
99.04391	1.1
112.06822	0.8
121.46115	0.9
171.08324	0.8
178.88463	1.4
250.67824	0.8
257.22797	1.2
275.23737	3.0
279.87659	1.0
337.23816	70.7
338.24216	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	337.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	2.9
65.00178	1.2
67.01756	2.8
69.03310	1.7
70.44128	4.7
71.01244	1.6
72.99187	3.7
79.79514	1.2
83.01248	3.8
85.02820	14.9
87.00739	4.3
93.03340	2.8
95.01305	1.5
97.02824	3.8
99.00763	3.8
101.02303	3.1
109.02821	7.8
111.00757	100.0
112.01075	3.1
115.00238	1.6
119.04928	2.7
121.02842	3.2
123.00771	5.0
123.04388	2.7
125.02323	14.0
127.00246	5.5
129.01831	5.5
135.04417	1.3
137.02338	8.7
139.00284	9.5
139.03906	2.1
140.01109	1.6
141.01830	6.1
149.02335	3.6
151.03932	3.1
153.01819	15.4
154.02316	2.0
154.11168	1.3
154.99759	20.8
156.00023	1.4
159.04364	1.9
163.03900	3.2
165.01813	5.4
166.99805	1.7
167.03380	3.7
169.01318	6.2
173.00826	30.6
175.03880	2.2
177.01843	4.8
179.03397	2.5
181.01375	2.9
183.02913	3.3
187.03925	2.1
189.05315	1.6
191.03421	2.9
193.01314	4.1
196.32407	1.3
197.04474	1.5
201.05455	1.8
203.07019	3.7
229.05063	1.7
233.04454	3.7
247.05968	2.4
255.02881	1.4
257.04526	1.6
275.05576	3.5
291.05014	1.6
293.06583	1.7
301.03635	2.8
319.04520	6.0
320.04926	1.3
337.05057	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	335.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61076	0.2
53.57732	0.2
63.58180	0.2
67.01752	0.2
71.01239	0.6
72.99176	0.4
83.01247	0.2
91.52541	0.2
109.99937	0.4
111.00771	2.0
124.01530	1.4
126.67242	0.2
127.00248	0.7
132.77275	0.2
136.98698	2.1
139.00256	2.1
140.01054	3.3
154.99777	0.5
161.02263	0.2
167.99124	0.4
168.00543	5.9
169.00900	0.3
183.02896	100.0
184.03259	3.2
273.08719	0.2
335.03830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61076	0.2
53.57732	0.2
63.58180	0.2
67.01752	0.2
71.01239	0.6
72.99176	0.4
83.01247	0.2
91.52541	0.2
109.99937	0.4
111.00771	2.0
124.01530	1.4
126.67242	0.2
127.00248	0.7
132.77275	0.2
136.98698	2.1
139.00256	2.1
140.01054	3.3
154.99777	0.5
161.02263	0.2
167.99124	0.4
168.00543	5.9
169.00900	0.3
183.02896	100.0
184.03259	3.2
273.08719	0.2
335.03830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07001	0.2
59.01245	0.4
81.03325	3.2
83.01308	0.3
91.72397	0.3
95.94866	0.3
122.03659	1.0
123.04390	0.4
265.25424	0.8
291.23404	0.3
293.24866	2.8
306.00186	0.3
310.95667	0.3
333.24356	2.1
335.25906	100.0
336.26236	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	337.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	22.6
59.72784	5.4
66.33298	6.0
68.99689	6.7
69.03313	8.0
69.38112	46.1
70.07112	5.1
71.01247	18.0
72.99190	39.3
73.02833	6.1
83.01297	7.6
83.04894	7.8
85.02814	12.6
87.00757	14.4
95.04893	8.6
96.96147	5.5
97.02807	12.7
99.00748	8.5
99.04360	5.6
103.00246	100.0
109.02846	21.1
111.00765	12.6
111.04406	9.8
112.80679	5.1
113.02304	8.5
119.51977	4.7
121.02832	6.8
122.18550	4.8
123.00751	10.7
123.04386	15.0
125.02328	22.3
127.03898	5.8
137.02310	13.3
139.00233	17.0
139.03833	5.9
141.01805	9.9
146.99220	13.9
153.01846	13.8
155.03426	5.0
167.03380	10.1
169.16644	5.5
181.04909	5.2
183.02873	8.2
197.04471	8.5
213.03972	10.7
303.03616	6.0
319.03180	6.4
337.04080	13.0
337.07889	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	333.2433
Annotation	CP47497 C7-Hydroxy metabolite
Peak:m/z	Relative Intensity
50.90083	0.2
59.01206	0.2
61.50864	0.2
80.88143	0.2
81.03323	3.3
113.45737	0.2
122.03600	1.2
122.92415	0.2
135.04428	0.4
245.00896	0.3
247.20589	0.5
249.22269	0.7
263.23795	1.1
273.22122	1.2
287.23737	0.3
289.25482	0.3
291.23312	2.3
305.24524	0.2
333.24313	100.0
334.24652	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	333.0615
Annotation	Cedrin
Peak:m/z	Relative Intensity
57.03330	0.4
59.01255	0.6
67.01748	0.7
68.99701	0.5
69.03321	0.9
71.01251	1.3
71.58183	0.6
77.03857	2.0
78.04870	0.3
78.95763	0.9
83.01250	2.7
85.02812	0.4
85.77592	0.4
91.20223	0.3
93.03335	3.1
95.01268	2.1
96.96869	0.4
97.02822	11.2
101.02321	0.7
101.35358	0.3
107.01273	0.4
109.02836	2.5
111.00778	0.6
113.02370	0.4
119.04998	0.3
119.08809	0.3
121.02841	11.7
122.03130	0.4
123.00761	1.0
125.02334	0.9
134.95865	0.4
137.02335	38.0
138.02663	1.0
139.00255	0.8
139.03906	0.8
141.01837	0.6
151.00256	1.2
153.01736	0.5
154.99805	0.4
161.02425	0.4
163.00308	1.4
164.01176	0.4
165.01837	100.0
166.02208	3.2
169.01315	0.4
175.03853	0.4
178.99762	1.2
183.04396	0.4
187.03566	0.4
189.01935	0.4
190.99844	0.5
197.04480	39.0
198.04843	1.7
206.99315	0.5
209.00894	1.9
222.98712	0.6
223.02299	0.5
255.02992	1.6
256.03537	0.5
257.04562	0.7
271.02502	0.4
283.02505	0.6
284.03452	0.8
287.01840	0.8
289.07248	0.5
294.14783	0.4
301.03470	6.8
302.04205	0.5
315.01733	0.6
315.05103	2.2
333.02408	1.5
333.06152	3.4
333.18985	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98250	8.1
54.46539	8.8
56.91580	7.5
59.91101	7.2
66.94172	7.8
69.66484	59.8
78.95773	78.9
96.96835	15.9
98.19785	13.2
103.00255	15.5
104.58579	9.3
152.99460	95.4
175.64096	7.9
181.24384	7.3
187.63702	8.4
223.24437	9.4
241.01228	38.9
241.73012	7.8
242.39482	10.7
279.83459	8.0
333.05637	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	333.0614
Annotation	Pallasiin
Peak:m/z	Relative Intensity
52.31881	0.3
59.01235	0.7
64.83762	0.3
67.01754	1.2
69.03339	0.6
69.47953	1.4
69.48380	1.3
71.01239	0.4
72.99173	9.9
75.00742	1.3
79.01772	1.4
80.72050	0.3
81.03326	0.8
83.01258	0.5
83.92693	0.3
84.28176	0.3
90.29648	0.3
93.03326	9.7
94.03709	0.5
95.01276	1.7
97.02819	0.6
107.04911	1.8
109.02846	0.7
111.00761	0.6
118.14838	0.4
119.04911	17.3
120.05257	0.5
121.02831	0.6
123.00761	15.2
123.04430	0.5
124.01099	0.9
125.02341	2.3
133.02852	0.4
134.03607	1.4
135.04401	21.3
136.04759	0.8
137.05951	0.5
139.00252	2.6
141.01834	2.8
151.00266	11.1
152.00642	0.7
153.00623	0.4
163.03911	30.9
164.04211	1.4
165.05539	0.6
166.99757	1.3
169.01329	6.7
179.03407	0.8
181.04973	100.0
182.05292	3.7
286.82281	0.4
287.69159	0.3
333.06116	39.2
334.06445	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	333.0591
Annotation	GroPIns
Peak:m/z	Relative Intensity
50.71050	0.3
70.28445	0.5
70.28848	0.7
78.95770	59.4
94.13977	0.3
96.96832	13.1
150.97905	0.8
152.99478	66.5
153.99806	0.6
158.20880	0.3
171.00529	7.0
223.00060	0.9
241.01132	37.5
242.01424	0.7
259.02179	2.3
333.05890	100.0
334.06204	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	333.0249
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
62.53668	3.8
63.02256	12.5
63.15606	4.1
65.00182	20.5
68.99657	7.4
69.03316	5.9
69.38005	40.2
76.39751	4.3
81.03324	7.7
83.01247	19.9
95.01253	19.7
97.02804	9.1
99.00732	27.7
107.01237	23.2
108.94582	4.0
109.02125	7.9
109.02834	93.1
109.86643	5.7
109.99947	6.0
110.03056	4.3
111.00759	36.9
119.41200	4.5
123.00769	41.1
124.01566	7.2
125.02325	58.6
133.02834	56.8
135.00751	16.2
135.04424	4.3
136.98697	16.9
137.02386	22.3
139.00261	66.1
140.01057	5.6
141.01840	40.4
143.04939	5.1
145.02792	6.5
149.02347	12.3
149.99464	6.5
151.00273	100.0
152.00948	10.4
153.01826	49.9
159.04367	8.8
161.02319	9.0
163.00264	36.0
165.01840	9.6
165.98969	11.0
166.99785	45.8
168.00526	36.6
169.01312	51.6
173.02298	6.1
175.03838	10.8
176.98177	5.8
177.01787	14.2
178.99768	87.9
179.03424	4.6
185.00879	5.4
187.03912	12.3
189.01823	10.7
189.05354	4.8
190.99866	23.1
193.01324	6.0
194.99245	30.5
197.00795	15.5
199.03993	9.9
203.03438	8.1
204.97789	10.4
205.01373	16.2
206.99319	44.4
207.02850	6.2
207.99942	9.2
209.00790	13.1
215.03441	9.7
217.04951	9.0
219.02991	11.6
222.98758	49.8
223.99495	16.8
227.03450	5.7
233.00935	4.8
233.04449	16.4
243.02928	12.5
245.04445	7.6
247.02521	6.4
251.89029	4.5
261.04016	10.3
268.90216	3.8
271.02463	13.6
287.01828	16.0
289.03452	7.4
315.01440	39.5
333.02402	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0249
Annotation	3,5,6,7,2',3',4'-Heptahydroxyflavone
Peak:m/z	Relative Intensity
65.00203	12.0
71.58332	5.2
81.03335	6.9
83.01258	11.9
95.01255	10.5
96.99175	5.5
97.02843	8.1
99.00772	14.4
107.01255	27.5
109.02828	76.5
111.00763	33.6
116.42121	4.9
123.00758	37.3
124.01522	6.3
125.02327	55.3
126.02715	7.6
133.02811	41.5
135.00778	15.5
136.98743	14.8
137.02342	12.1
139.00290	54.0
141.01839	37.0
149.02365	11.3
149.99457	6.2
151.00269	74.8
152.01031	17.6
153.01840	52.8
159.04361	6.2
161.02379	9.0
163.00224	37.9
165.01834	12.3
166.99791	33.8
168.00523	45.6
169.01343	45.5
171.04494	5.0
174.03142	6.5
175.00467	4.5
175.03874	11.8
177.01857	17.2
178.99783	100.0
187.03876	5.2
189.01859	7.8
190.99777	33.4
193.01468	8.2
194.99252	38.2
197.00864	15.3
199.03966	7.1
201.01790	6.5
203.03508	12.7
204.97772	13.3
205.01392	12.1
206.99287	59.8
208.00014	8.7
209.00793	23.6
215.03439	9.1
217.05067	10.4
219.02881	9.1
222.98772	68.0
223.99684	23.7
231.03098	7.1
233.00815	6.8
233.04619	18.5
243.02971	16.5
245.04655	8.8
247.02515	10.6
259.02438	11.6
271.02457	19.9
287.02026	29.6
289.03601	11.7
305.02652	6.2
315.01395	36.3
321.49405	4.9
333.02393	65.2
334.03195	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	331.0822
Annotation	Taxifolin 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
59.01239	1.3
59.07160	0.9
59.63182	1.1
65.00179	2.2
69.66447	3.4
69.66857	2.3
71.04887	22.9
72.05173	0.8
75.69252	0.7
77.03809	3.0
79.01762	8.1
83.01243	2.2
95.04912	2.7
97.02827	12.0
107.04967	1.1
108.02047	0.9
109.02827	3.6
119.04910	1.4
121.02840	8.6
122.03619	2.4
123.00765	1.5
123.04415	3.9
124.01528	1.1
125.02311	2.3
137.02318	3.9
138.03110	9.1
139.03902	100.0
140.04248	2.9
146.03604	0.9
149.02374	5.1
150.03081	2.6
151.03903	1.5
153.01822	1.2
159.04433	1.3
161.02373	1.1
163.04019	1.7
164.04645	0.9
165.01836	15.8
166.02617	41.5
167.03238	1.9
169.01367	2.7
170.02089	1.0
178.99718	1.8
179.03383	2.6
180.95142	1.0
183.02924	1.1
185.05989	2.1
187.03931	0.9
189.05322	1.0
192.04196	7.4
193.01326	14.4
198.01616	3.6
201.05453	1.9
202.06287	1.7
207.06529	4.5
211.02388	1.0
216.04147	1.4
218.02191	0.9
227.07094	1.7
228.07890	2.9
230.05756	1.9
231.06509	3.2
243.06548	1.5
243.10281	2.5
244.07303	1.3
245.08160	6.1
257.08127	1.0
259.09756	1.4
263.09201	1.2
270.05225	1.5
271.04428	1.6
272.06897	4.2
283.02505	1.0
287.09229	15.1
288.06354	3.3
288.09448	1.3
303.08722	77.8
304.09134	4.9
313.07205	2.8
331.08191	76.5
332.08362	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	331.0458
Annotation	mearnsetin
Peak:m/z	Relative Intensity
59.01262	1.0
60.19704	0.8
62.32928	0.7
67.01749	4.4
69.03328	1.1
69.65462	1.1
69.65873	4.2
71.01250	0.9
72.99188	0.8
79.01777	5.4
88.11929	0.6
93.03329	20.3
95.01260	6.9
97.02831	2.9
98.20593	0.8
106.04099	5.4
107.04903	73.8
108.02052	3.0
108.05255	2.0
109.02841	0.9
111.00753	1.1
121.02843	4.1
123.00764	72.3
123.04391	6.4
124.01074	1.7
125.02350	4.4
133.02840	4.6
134.03673	0.9
135.04410	68.3
136.04745	2.2
137.02281	0.8
139.00252	11.6
140.01062	1.2
141.01822	11.5
151.00264	100.0
151.03886	3.4
152.00563	1.7
169.01335	2.2
179.03406	85.4
180.03754	3.1
192.91344	0.7
211.02307	1.2
258.05518	1.7
259.06067	23.2
260.06509	1.4
271.04535	1.9
287.05624	3.1
290.04391	1.1
303.05051	1.2
331.04553	58.2
332.04752	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	331.0669
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03313	3.8
59.01251	5.9
62.92149	2.1
65.00170	2.5
70.43855	2.3
70.56547	8.8
71.01268	3.3
81.03307	3.5
83.01248	13.6
97.02867	2.4
107.01245	9.8
123.00740	5.8
124.01556	7.7
125.02334	74.9
126.02650	2.5
151.00273	40.6
168.00536	10.0
169.01332	97.9
170.01649	2.8
175.00237	4.8
211.02438	6.2
271.04660	5.2
298.62860	2.6
320.64722	2.4
331.06711	100.0
332.06995	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	329.1391
Annotation	Dihydroconiferyl dihydro-p-coumarate
Peak:m/z	Relative Intensity
59.01250	4.4
60.62507	0.6
64.55629	0.5
71.01246	0.7
71.53323	1.2
83.01272	0.7
93.03331	29.5
94.03699	1.4
94.46132	0.5
107.04917	1.4
111.08027	1.0
117.68223	0.6
119.04899	3.1
120.05273	0.8
121.02879	0.6
121.06439	0.8
123.04386	2.2
133.02841	0.6
135.04437	2.7
147.04457	0.7
149.02330	1.6
149.05988	0.9
151.03899	11.1
164.04758	0.9
165.05457	8.9
166.06192	4.3
175.07549	0.6
177.01776	4.0
177.05513	0.7
179.03423	6.6
179.06972	0.7
181.08606	7.2
193.04980	83.4
194.05313	3.7
205.04967	3.0
208.07368	6.8
209.07773	0.6
220.03685	1.7
223.09692	100.0
224.10040	4.8
235.06091	1.4
235.09662	3.6
238.52913	0.5
281.08188	0.8
297.07846	0.7
299.09229	2.5
314.04138	0.7
329.10101	0.8
329.13733	1.7
329.19858	1.1
329.23291	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	330.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	2.7
68.01299	1.6
70.41772	6.0
71.01249	2.2
72.99176	22.4
75.00745	3.0
83.04862	1.7
85.02758	1.5
87.00756	4.5
103.00253	10.0
105.26060	1.6
107.04878	2.9
109.02779	1.9
121.02831	3.0
123.04397	4.0
125.02352	1.7
135.04442	2.2
139.03880	2.0
146.05994	4.5
147.04413	1.5
148.03867	2.2
149.05980	4.1
151.00320	1.4
162.05455	2.5
163.03871	2.6
164.07030	2.2
166.04953	3.8
174.05467	2.2
177.05492	2.5
188.07069	1.8
204.06630	8.9
220.06042	1.9
222.07651	4.8
239.05676	7.6
240.08748	9.5
254.06693	7.1
256.08185	7.0
294.06152	3.6
300.07196	2.0
302.19385	1.5
312.03897	2.4
312.07254	18.2
330.08237	100.0
331.08887	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	331.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02262	13.0
65.00196	33.5
67.01755	9.4
68.99676	3.6
69.27520	19.4
71.01271	2.1
79.01736	2.4
83.01257	15.0
92.99683	3.0
93.03362	3.0
95.01251	27.4
96.99200	5.7
98.20610	3.8
99.00761	4.3
105.03363	2.5
107.01257	33.2
107.01941	2.6
107.25869	2.0
108.99169	3.6
109.02850	13.6
109.99972	29.2
111.00774	34.7
115.05441	3.6
117.03349	2.5
119.01260	2.4
119.04903	4.3
120.99175	2.8
121.02843	4.6
123.00766	42.5
124.76826	2.2
124.98695	6.4
125.02339	8.4
129.03384	3.4
131.04897	3.6
133.02866	7.4
135.00764	6.9
136.98682	17.5
137.02371	11.4
137.21866	2.2
137.99484	19.7
139.00264	66.7
139.03870	3.3
139.56847	2.0
141.99011	2.5
143.04871	3.2
145.02844	5.2
147.04396	4.8
149.02347	4.8
149.99481	4.8
151.00273	84.3
151.03860	2.1
152.00896	2.8
154.99763	4.7
157.02859	4.9
158.03613	2.5
159.04420	13.4
161.02333	7.2
163.00311	21.3
163.03920	6.4
164.01050	4.9
164.47302	2.1
164.98235	13.7
165.01822	10.4
165.98964	33.9
166.99770	47.1
168.00484	3.8
168.02908	8.0
169.01326	22.0
169.03078	6.2
171.04449	4.4
173.02321	6.0
175.00301	4.6
175.03912	12.5
176.01132	2.2
177.01793	5.9
178.99774	100.0
180.00174	3.0
185.00887	4.2
185.02364	10.0
187.03918	14.7
189.01868	10.4
190.02669	2.8
190.99779	51.8
191.03415	6.5
193.01387	3.1
193.98505	21.3
194.99316	37.5
197.02414	4.1
199.03931	2.5
201.01894	8.3
202.18069	1.9
203.03410	13.3
206.99284	30.5
207.03081	2.2
213.01857	15.0
214.02660	5.0
215.03421	9.6
217.01341	6.9
219.02946	4.9
228.33308	2.5
229.01379	7.4
231.02930	17.3
233.00879	5.0
241.01346	11.4
242.02136	3.2
243.02924	4.7
245.00809	10.2
247.02449	5.6
257.00876	14.6
258.01410	4.1
259.02466	30.7
260.02954	2.9
269.01096	2.8
275.02014	15.8
285.00357	17.2
286.01147	2.6
287.01981	15.3
298.01324	2.4
301.03445	6.1
303.01376	20.6
312.99957	12.5
313.03241	2.9
331.00934	48.7
331.04382	3.8
332.01498	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	329.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57942	0.5
59.01244	1.0
60.16344	0.4
62.80193	0.5
63.73542	0.4
71.58255	0.8
79.01762	1.0
93.03330	2.4
96.01054	0.5
97.02840	0.7
108.01961	0.4
109.02817	2.1
119.04946	0.7
121.02839	27.8
122.03115	0.9
135.04414	2.9
137.02310	1.1
145.02730	0.8
147.04401	6.8
148.04779	0.5
149.02377	0.9
159.04407	3.3
160.05205	1.2
163.00327	0.8
165.01830	4.3
167.07018	0.7
169.01303	0.7
175.07574	0.6
192.07860	1.0
193.01341	3.2
196.05188	1.4
199.07478	0.6
209.06035	0.7
210.06705	1.0
211.03978	1.3
212.04697	4.0
213.05605	0.8
222.06819	1.4
223.07629	1.0
224.06874	0.8
225.05521	1.9
225.09071	0.8
226.06268	2.0
227.06914	0.5
227.10678	1.0
229.05032	0.7
237.05478	0.8
238.06235	1.0
239.03426	0.6
240.04266	4.7
240.07747	0.6
241.04881	0.9
241.08595	2.6
243.10182	1.6
251.07054	1.9
253.05019	1.3
253.08679	3.0
254.05818	6.8
255.06332	0.8
255.10278	1.7
257.04535	1.4
263.07025	0.7
265.08713	0.8
268.07382	1.3
269.08170	62.1
270.08499	4.3
271.09747	7.4
273.04013	1.5
276.68954	0.5
281.08194	9.6
282.08646	1.3
283.09760	3.2
284.10428	0.7
285.04010	1.3
286.04831	2.0
298.08447	1.6
299.09219	44.6
300.09500	4.0
301.03528	3.2
313.10770	1.0
314.11569	62.6
315.11868	5.7
329.03210	4.9
329.13919	100.0
330.03311	1.0
330.14267	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	329.1392
Annotation	Muricarpone B
Peak:m/z	Relative Intensity
54.61934	0.4
55.93232	0.3
56.49624	0.4
59.01229	0.5
63.66306	0.3
71.01251	0.8
76.13087	0.4
91.05400	0.4
93.03338	1.4
95.01312	0.5
98.19640	0.7
105.03378	0.6
107.04917	0.7
109.02886	0.7
115.05408	1.0
119.04890	1.0
121.02840	14.0
122.03665	3.7
123.00747	2.1
123.04408	1.6
124.01550	2.1
130.04115	0.5
131.04936	2.0
134.03632	0.7
135.04398	0.8
136.01547	0.9
136.05212	2.9
137.02368	2.4
137.05972	1.9
143.04897	2.9
145.02838	1.3
145.06493	0.9
146.03618	1.3
147.00684	0.7
147.04411	10.8
148.05055	0.5
149.02330	4.7
149.05971	1.3
150.03122	16.3
151.03844	1.3
151.53249	0.4
153.05486	1.4
158.03625	13.3
159.04417	39.8
160.05202	88.7
161.05984	37.0
162.03081	1.1
162.06323	1.2
163.03917	17.3
164.04701	15.1
165.05188	0.6
168.04178	1.1
173.05994	10.9
173.07458	0.7
174.06386	0.8
175.07556	70.4
176.04691	1.9
176.07875	3.6
177.05487	18.7
178.06255	15.0
179.03418	0.8
182.23166	0.4
182.24983	0.4
191.06999	0.7
192.07831	1.0
193.04979	0.8
193.08627	8.3
194.08981	0.8
299.09460	0.4
299.12863	0.7
314.11594	2.5
329.13925	100.0
330.14191	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	329.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.6
69.06370	0.4
69.72818	1.5
69.73232	1.9
70.20374	0.4
79.01759	1.5
81.49894	0.6
82.92645	0.5
93.03332	1.6
95.35190	0.5
107.04897	0.5
109.02763	0.5
117.94067	0.5
119.04917	4.5
125.05952	3.1
129.55325	0.5
133.02814	1.0
134.03633	1.7
135.04408	100.0
136.04729	3.3
149.02351	0.7
149.05994	2.1
150.03116	2.8
151.00247	0.7
160.05246	0.6
160.36307	0.5
161.02327	1.8
164.04677	1.1
178.02618	11.0
179.03320	0.7
187.03954	0.6
192.04263	0.6
193.04982	22.4
194.05368	0.9
199.03934	2.1
201.01924	0.7
211.06030	4.1
213.05505	0.8
215.03438	1.0
227.03452	1.8
243.02979	2.8
269.04413	1.0
271.02460	34.2
272.02887	1.8
285.04028	1.3
299.01953	50.2
300.02307	3.4
314.04303	52.1
315.04581	3.4
329.06644	29.3
329.10345	17.8
329.13101	0.5
329.14233	1.0
329.23309	2.3
330.06958	2.1
330.10675	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	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25224	1.0
51.25486	1.0
59.01249	100.0
71.01253	5.8
71.44737	1.5
71.45065	1.2
73.02859	1.3
85.02821	3.0
101.02321	4.7
113.02345	2.8
123.00755	1.6
151.00281	1.3
161.04491	3.5
167.03427	2.8
169.01335	2.5
207.55574	1.1
269.10309	3.9
282.88977	1.0
329.12463	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	329.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	3.1
63.30785	1.1
79.01744	5.9
93.03345	9.0
95.04902	1.7
105.03313	1.1
107.04910	4.1
109.02872	3.1
111.04414	4.2
120.54201	1.0
121.02860	4.0
123.04405	15.7
133.02858	9.4
134.03654	3.8
135.04431	8.3
137.02338	20.8
142.44232	1.3
149.02296	1.5
151.03915	5.4
152.04700	27.8
153.05070	1.0
163.00259	4.6
164.01077	8.9
165.01839	4.9
167.07050	35.4
168.07463	1.6
179.03421	59.2
180.03853	2.4
193.01329	3.9
195.06650	2.7
197.04453	3.0
207.02933	55.5
208.03333	1.3
212.04739	1.6
222.05237	6.8
227.07253	2.4
229.32121	1.6
239.03448	4.5
243.06750	2.4
253.05020	4.4
254.05829	20.0
255.06447	4.1
269.08182	41.4
269.11057	2.4
270.08752	6.4
271.06146	27.3
272.06512	1.6
282.05356	1.8
285.11404	2.5
297.07730	1.8
301.10806	100.0
302.11050	6.1
329.13681	1.5
329.23505	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	329.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01218	1.0
60.54675	0.4
63.07232	0.4
71.06391	1.0
77.03822	0.8
79.01742	1.0
83.99641	0.5
97.02834	0.5
97.69628	0.4
99.07986	0.6
108.02009	1.6
121.02843	3.0
127.11095	0.5
129.21820	0.4
136.01518	0.5
139.11131	0.8
140.21861	0.4
148.01526	2.2
149.02306	1.2
164.01065	0.6
165.01823	2.2
171.10118	2.4
177.01801	1.1
178.02640	0.9
205.01317	0.7
211.13284	2.9
213.05429	1.3
225.05492	0.6
226.02734	0.5
227.03317	0.5
229.04898	0.7
229.14351	1.8
240.04221	1.7
241.04987	4.0
242.02190	0.6
257.01825	0.7
257.04529	11.6
258.04938	0.8
268.03729	1.6
269.04538	20.4
270.01804	0.8
270.04837	1.7
270.47653	0.4
271.02466	0.7
285.04031	48.0
286.04459	4.5
313.03482	1.4
314.04309	100.0
315.04660	6.7
329.06653	47.2
329.23279	14.3
330.07001	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03307	0.9
59.01237	1.8
63.19359	0.3
65.00190	0.5
69.67108	2.4
71.01255	0.9
75.24226	0.3
78.40560	0.3
81.03328	4.4
83.01241	3.8
85.02807	0.5
93.03340	0.8
95.01241	0.4
95.04893	1.4
97.02852	0.9
101.79532	0.3
107.01318	0.6
109.02837	0.4
123.04404	41.2
124.04755	1.4
125.02338	5.7
131.01295	0.4
135.04428	0.6
137.02281	0.9
139.03911	0.8
149.02361	1.3
151.00220	1.8
151.03888	1.3
163.03906	1.9
166.02623	1.0
167.03407	100.0
168.03734	3.4
169.01311	0.9
175.00293	1.1
179.03455	0.9
180.04231	0.7
181.04988	3.1
191.03418	22.8
192.03778	1.0
209.04466	9.1
221.04478	3.2
233.04538	0.5
269.06467	0.4
283.04602	0.4
284.13553	0.4
303.11493	0.4
329.08713	3.8
330.09039	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0663
Annotation	Dillenetin
Peak:m/z	Relative Intensity
50.71470	0.4
53.80555	0.4
59.01243	1.2
59.19454	0.4
68.94614	0.4
69.85478	1.6
69.85884	0.7
79.01775	1.0
80.91134	0.4
93.03355	0.8
96.95876	0.5
98.20472	0.6
104.42245	0.4
107.04903	0.8
109.02844	0.5
119.04922	4.4
121.02780	0.6
125.05941	2.9
134.03641	2.0
135.04410	100.0
136.04726	2.8
137.02280	0.5
149.06041	2.1
150.03133	2.4
151.00272	0.8
161.02364	1.8
164.04712	0.5
167.07056	0.7
171.04498	0.5
178.02646	9.5
179.03352	0.7
193.04987	25.0
194.05347	1.3
199.03918	1.9
201.01892	0.7
205.42224	0.5
211.06024	3.8
215.03363	1.1
224.03105	0.6
226.07468	0.4
227.03419	2.3
243.02908	2.4
255.02762	0.4
271.02460	34.4
272.02747	2.2
285.04068	1.1
299.01944	50.1
300.02347	2.7
314.04300	49.2
315.04623	3.3
329.06641	29.2
329.10339	20.4
329.23325	1.9
330.03610	0.4
330.07001	2.4
330.10663	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	328.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01242	3.1
60.72285	2.9
64.27877	2.6
65.99699	3.4
67.72382	3.0
69.13058	2.8
70.80536	3.1
70.80849	5.5
71.32021	3.1
72.99166	2.8
81.10508	3.1
83.01254	5.9
88.42317	3.4
93.03307	3.6
97.02814	5.8
109.02826	26.5
121.02835	8.2
123.04376	12.5
125.02320	21.1
135.04378	11.6
137.02316	38.7
139.03864	13.2
148.03929	8.6
149.02338	17.5
150.03104	6.2
151.03912	17.0
154.02676	3.1
160.03998	4.3
161.02315	9.7
162.02975	3.3
163.03911	8.2
164.01186	4.3
164.03352	3.8
165.01837	15.3
167.03387	7.5
172.03926	12.4
175.03944	5.3
176.01083	3.4
176.03394	6.8
177.01842	3.9
178.02533	5.6
179.03406	10.8
191.03352	5.7
205.05017	7.4
213.05475	5.8
213.96326	3.9
215.07060	37.3
233.08118	8.5
242.08205	8.5
257.08078	15.3
259.06110	7.6
284.09332	6.2
285.77304	3.5
301.07147	35.4
310.07129	8.0
328.08231	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	328.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68917	1.3
56.23802	1.4
57.03315	2.6
57.73050	1.3
59.01246	2.2
65.99718	4.1
69.03327	2.0
69.96400	7.6
76.10378	1.3
81.03329	4.0
83.01239	4.6
93.03313	4.4
95.01274	2.6
95.04903	2.9
97.02811	5.3
97.64816	1.3
98.20489	1.9
99.04352	2.0
107.04888	1.8
108.02016	1.6
109.02135	1.9
109.02836	28.2
109.03585	1.6
110.03210	1.4
111.04391	1.6
115.25789	1.3
121.02875	10.3
122.02358	1.9
122.03606	4.8
123.04428	13.8
125.02330	27.6
132.04440	3.1
133.02846	2.4
135.04417	10.6
137.02332	42.9
139.03915	9.6
145.02863	5.6
146.03596	2.0
147.04385	2.6
148.03976	11.3
149.02330	21.3
150.03136	7.4
151.03909	18.1
154.02534	1.3
159.04388	1.8
160.03925	5.0
161.02312	10.4
161.05965	2.8
162.03114	2.2
162.05527	2.9
163.03867	11.5
164.01054	6.0
164.03400	2.6
165.01843	18.8
166.04958	1.7
167.03441	4.7
172.04008	15.0
172.05293	2.0
173.06018	2.8
175.03938	5.4
176.01001	3.1
176.03438	3.4
177.01854	5.7
178.02635	4.2
179.03423	15.4
184.03999	2.0
185.06013	1.4
185.70689	1.5
187.03970	1.9
189.05544	1.8
190.05035	7.7
191.03421	5.6
192.04163	1.5
197.05949	2.0
199.03973	1.8
201.05487	2.7
205.05121	2.0
211.07565	1.7
213.05515	6.3
214.06155	2.6
215.07072	39.8
216.07281	1.9
233.08134	10.2
238.54358	1.6
242.08223	6.2
243.06520	2.2
246.62914	1.3
248.46448	1.3
257.08142	16.3
259.06049	7.4
260.09460	1.6
283.06113	2.8
284.09290	9.2
286.07178	3.5
287.05557	2.0
288.06467	4.1
290.07501	2.5
301.07141	37.7
302.07483	3.0
310.07275	9.3
328.08240	100.0
329.08871	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	327.2175
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03308	2.8
59.01244	1.4
68.98961	0.8
69.03313	3.0
70.99191	0.7
71.01244	1.5
71.06196	1.6
83.04850	1.2
84.83460	0.6
85.02818	11.9
86.03190	0.6
95.04884	0.9
97.02825	1.8
97.06454	5.6
119.04910	19.7
125.09598	1.8
127.11169	2.6
137.09615	3.1
165.12773	1.4
167.14320	1.1
170.27094	0.6
171.10167	30.4
172.10440	0.8
177.12811	1.1
183.13826	5.1
185.11748	1.5
187.21619	0.6
189.45383	0.6
193.12228	2.0
203.10780	1.1
209.11740	1.6
211.13326	23.8
212.13634	1.5
221.11768	4.1
229.14381	13.6
239.12787	2.6
275.96326	0.7
291.19608	2.3
309.20718	1.1
327.05222	4.1
327.12390	2.7
327.21738	100.0
328.22098	8.6
339.37701	0.7
341.53555	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	14.7
65.99729	6.5
66.03340	5.2
71.01243	12.2
71.12746	9.3
72.99178	100.0
73.02793	4.5
81.03311	4.7
85.02840	5.1
87.00742	29.1
89.55240	3.9
93.03324	9.1
93.68709	4.1
95.04898	5.5
97.02821	6.7
99.00758	4.9
103.00245	56.9
107.04910	10.5
109.02826	18.6
111.04360	6.1
119.04939	6.0
120.04422	8.5
121.02838	27.0
123.00806	5.6
123.04435	23.3
124.03902	6.7
125.02382	9.9
134.03586	5.0
135.04420	55.5
136.03955	7.7
137.02359	22.3
137.05968	5.6
139.03938	8.0
144.04471	9.6
145.02818	6.1
146.02390	9.4
146.06068	4.9
147.04387	11.5
148.03928	43.8
150.05498	4.8
151.03889	6.1
153.05469	4.1
158.05974	5.0
160.03961	8.8
161.02402	6.9
162.05508	34.7
162.53769	4.4
163.03882	16.9
164.03401	11.1
164.04651	7.0
165.05466	8.3
166.04951	9.2
167.03371	4.5
172.03909	10.3
175.03903	21.4
177.05469	6.7
180.06587	6.6
190.02631	3.9
190.05048	13.1
193.04996	13.6
202.05038	12.5
208.06052	4.5
209.04594	4.4
213.88582	3.8
218.04434	5.9
220.06090	35.6
230.04587	7.0
234.03990	5.7
236.05615	13.0
238.07198	12.8
248.05496	6.7
252.05246	5.3
254.06676	6.2
310.05594	33.2
328.06705	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1235
Annotation	2-Hydroxy-7,8-dehydrograndiflorone
Peak:m/z	Relative Intensity
61.60091	0.1
71.01237	0.1
71.57314	0.1
71.57716	0.2
82.98141	0.1
93.03316	0.6
95.63535	0.1
105.60889	0.1
117.03334	0.2
119.04912	100.0
120.05240	3.0
121.02822	0.1
135.04395	0.2
145.02899	0.4
149.02438	0.1
149.05988	0.5
150.03078	0.2
163.03960	0.4
177.01898	0.7
177.05464	1.7
178.02664	0.5
191.03627	0.2
193.04991	0.8
206.05754	0.5
238.04745	1.3
297.07675	0.6
312.06943	0.1
312.10086	0.6
327.12341	19.4
327.82541	0.1
328.12701	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	327.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36805	0.1
93.03306	0.5
115.60229	0.1
117.03371	0.1
119.04913	100.0
120.05242	3.0
121.02845	0.1
135.04350	0.2
139.00725	0.1
145.02837	0.4
149.05965	0.4
150.03177	0.1
163.03868	0.5
169.27254	0.1
177.01839	0.6
177.05487	1.4
178.02608	0.7
193.04970	1.0
206.05756	0.6
223.92409	0.1
238.04802	1.1
268.11313	0.1
297.07657	0.6
312.09821	0.5
327.12350	21.9
328.12674	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	327.0871
Annotation	Garvin C
Peak:m/z	Relative Intensity
59.01245	1.0
62.54930	0.6
71.01261	0.9
71.56766	1.1
72.99176	1.1
78.95789	0.8
86.69878	0.6
87.00764	0.6
93.03322	7.4
96.96829	0.8
96.99178	0.8
98.02383	0.7
106.04132	1.1
107.04865	0.7
108.02026	1.0
119.04908	100.0
120.05247	3.4
121.02760	0.7
123.04494	0.7
131.04918	0.8
132.05663	2.2
133.06467	1.0
135.04414	0.8
143.04942	1.8
145.06462	3.2
147.04306	0.8
163.03908	83.1
164.04248	3.8
167.80266	0.7
209.06078	1.5
211.07460	1.6
221.09746	1.3
222.06802	0.8
237.09143	3.7
239.10762	4.8
283.09729	26.8
284.10016	1.7
327.08710	39.5
328.08957	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	327.0873
Annotation	(2S)-5,7-Dimethoxy-3',4'-methylenedioxyflavanone
Peak:m/z	Relative Intensity
51.80773	0.5
59.01235	1.2
59.39849	0.5
62.55685	0.4
71.01264	0.5
71.57170	0.5
71.57578	0.6
79.54229	0.4
91.05390	0.8
93.03319	0.7
100.14240	0.4
119.04910	6.9
121.02837	100.0
122.03152	3.3
135.04407	11.2
145.02811	1.1
151.03873	0.7
160.04599	0.5
161.02307	0.6
181.08615	0.5
189.44374	0.5
217.71936	0.5
269.08142	0.8
297.07767	2.1
327.08734	15.1
327.12463	3.6
327.16113	0.8
327.21729	1.7
328.09106	1.3
344.60013	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00447	0.3
59.01248	5.7
69.48243	1.6
71.01251	3.5
75.76409	0.2
85.02822	0.7
87.86800	0.2
89.02308	2.3
95.01209	0.2
99.26890	0.2
101.02320	0.9
113.02323	1.2
117.03340	19.3
118.03687	0.6
119.03387	0.8
119.04906	5.7
119.05722	0.4
120.05249	0.2
131.04921	0.2
133.06441	0.6
145.02846	100.0
146.03185	4.4
159.04420	0.5
161.05986	1.4
163.03914	6.0
164.04300	0.3
177.05443	0.3
187.03935	2.0
205.05003	0.8
235.06055	0.3
265.07150	1.0
266.43573	0.2
325.09250	1.9
348.11499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0928
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
54.60012	1.4
54.94009	1.2
56.48122	1.1
59.01226	1.7
62.61654	1.2
69.58685	1.1
70.44850	3.8
77.14615	1.3
79.81473	1.2
119.04913	100.0
120.05236	3.5
163.03915	85.0
164.04266	3.4
263.71350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42682	3.4
59.01254	19.1
65.77450	3.2
70.30299	6.7
71.01241	31.3
87.00748	35.3
89.02306	4.1
102.01236	3.5
113.02338	5.1
115.00254	75.5
125.02287	5.1
141.85593	3.2
169.01277	7.5
175.02393	100.0
305.01141	3.7
327.03531	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	325.0927
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
52.31730	0.3
59.01240	1.0
67.34869	0.3
69.43458	2.6
71.01245	3.4
73.02826	1.2
83.01274	0.4
85.02820	1.3
87.00723	0.3
89.02346	0.3
91.05417	0.8
98.19855	0.6
99.00735	0.5
101.02322	2.0
101.03844	4.7
113.02338	1.6
117.03340	2.5
119.04910	100.0
120.05254	3.2
133.02834	0.5
135.04446	0.6
137.52444	0.3
140.32150	0.3
145.02869	0.7
146.14824	0.3
161.02338	1.7
161.04448	1.8
163.03911	5.4
163.06039	1.0
165.16298	0.3
179.03423	0.7
197.36205	0.3
295.06174	0.7
302.56689	0.3
310.08432	0.6
325.09219	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43267	0.7
59.01241	2.7
65.80776	0.8
66.31142	0.7
71.01251	1.4
71.43265	1.4
81.74994	0.8
88.59270	0.7
92.73020	0.8
117.03338	11.7
119.04907	98.9
120.05241	3.9
145.02847	43.5
146.03163	2.5
163.03908	100.0
164.04240	4.6
164.77910	0.8
172.52013	0.7
187.03906	1.8
205.04976	1.4
325.09256	3.1
329.90881	0.9
335.17758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	5.4
69.65197	0.5
69.65609	1.4
71.01245	3.0
81.01955	0.3
85.02838	0.6
89.02317	1.8
98.19797	0.5
101.02341	1.4
103.86987	0.2
113.02348	1.1
117.03348	20.2
118.03692	0.7
119.03418	0.5
119.04903	4.1
133.06473	0.5
145.02852	100.0
146.03204	4.2
159.04407	0.4
161.06039	1.5
163.03925	9.5
187.03947	3.8
205.04982	1.6
235.05994	0.5
265.07147	2.1
325.09323	6.2
326.09668	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2224
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.69245	0.3
57.03308	0.5
59.01248	8.6
69.38876	0.9
69.39292	2.5
71.01221	1.2
77.21961	0.3
78.81931	0.3
83.01263	0.4
85.02792	0.7
85.06358	0.5
85.37281	0.3
89.02301	0.6
95.04841	0.4
96.95836	0.6
97.06432	0.6
98.59360	0.3
101.02256	0.5
113.02298	0.9
121.02814	0.5
123.04382	1.4
137.05952	1.1
137.09615	0.7
139.03940	0.6
139.11151	0.5
156.04178	0.9
161.04454	0.7
162.10458	0.4
165.09039	1.3
165.12727	2.2
167.14317	0.6
185.11671	0.4
188.56940	0.4
189.12753	0.6
193.12344	0.5
193.15900	0.4
207.13712	0.5
217.15939	0.5
235.13298	0.7
261.22263	4.6
265.14783	0.5
279.23199	0.6
287.20029	0.6
305.21201	100.0
306.21555	8.1
323.09702	0.7
323.22253	21.4
324.22638	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	325.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75090	0.2
59.01233	0.2
59.18349	0.2
69.34214	0.4
69.34617	1.4
83.95605	0.2
93.03336	0.7
98.19746	0.3
106.04114	1.9
107.04915	2.8
108.02062	1.3
117.03345	28.1
118.03695	0.7
119.04892	1.2
121.02837	1.9
121.82091	0.2
123.04404	0.7
125.83315	0.2
133.02867	0.7
134.03625	0.9
135.04428	1.4
138.03110	0.3
145.02853	100.0
146.03174	3.9
161.02374	0.6
163.03893	0.4
179.03416	9.2
180.03798	0.2
253.08664	0.8
255.98428	0.2
268.13174	0.2
307.29306	0.2
325.06982	0.3
330.56839	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00455	2.7
59.01249	35.7
59.45584	0.9
60.08969	0.8
69.26898	10.6
71.01250	9.6
72.99184	3.7
75.82453	1.0
86.23118	0.9
89.02310	8.2
96.72771	0.9
98.19694	1.6
101.02334	6.6
145.07648	1.3
146.04816	1.3
160.06310	12.5
161.07111	47.8
162.07390	1.8
163.03896	1.1
167.24698	1.0
175.08681	33.7
176.08928	1.6
180.06294	0.9
189.06616	100.0
190.06953	4.0
201.10149	1.1
203.08189	42.7
204.08508	2.2
295.12857	1.5
305.11472	2.0
323.12457	34.1
324.12744	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2069
Annotation	Rapanone
Peak:m/z	Relative Intensity
57.90022	0.4
58.89384	0.3
59.01250	100.0
60.01600	0.9
71.70338	0.3
73.10640	0.4
73.15214	0.4
75.17725	0.4
77.70506	0.4
95.72295	0.4
103.03894	0.9
114.23704	0.4
167.75163	0.4
176.65627	0.4
230.43826	0.5
244.24142	0.4
277.18045	0.6
297.72110	0.4
301.51920	0.4
321.20688	55.8
322.20984	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	323.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04630	5.2
59.01245	56.6
69.03331	10.3
69.98603	14.2
69.99004	14.0
71.01249	32.3
71.53763	5.7
71.60154	5.5
72.99178	57.8
73.02804	16.3
75.00742	9.5
81.03339	5.8
83.04898	10.0
85.02828	21.4
87.00755	19.3
95.49905	5.7
97.02853	14.5
99.04403	12.9
100.98684	7.3
103.00245	100.0
108.52074	5.5
109.02855	7.7
111.04438	8.3
113.02335	11.5
121.02831	12.4
123.04385	20.9
125.02332	13.0
127.03902	7.6
137.02393	6.4
139.03900	19.6
140.86003	5.4
146.99226	20.9
162.55150	5.8
171.02946	6.7
239.98251	6.3
247.04520	18.0
305.05087	22.1
323.06180	88.4
323.85623	5.8
324.07028	6.7
341.01392	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	323.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	12.1
59.01242	11.1
61.03568	1.4
64.23961	1.5
69.03336	3.4
69.96791	1.4
70.90903	3.4
70.91235	1.6
71.01250	66.5
72.99163	2.7
73.02819	4.6
75.52534	1.4
77.70503	1.6
78.95775	13.8
85.02283	2.2
85.02408	1.1
85.02817	61.8
87.00745	67.2
88.01070	2.5
95.01219	3.8
96.96830	9.3
101.02359	2.4
103.03905	2.7
109.55103	1.4
111.00787	2.5
113.02322	100.0
114.02666	2.2
115.00243	3.8
118.14132	1.4
129.01860	1.8
131.03374	3.2
156.04576	1.5
157.01317	5.4
163.02475	2.2
175.02385	5.8
179.85622	1.5
186.55234	1.5
323.02856	2.3
323.06384	3.4
323.09799	47.5
324.10187	2.6
332.88315	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	321.0823
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
50.91448	2.1
57.03315	4.0
59.01239	4.3
69.03316	6.7
71.01247	14.3
72.99160	3.8
73.02820	9.1
78.97756	1.8
83.01270	3.1
85.02816	29.7
87.00751	100.0
95.01280	6.5
97.02824	21.8
103.03867	10.9
113.02331	11.3
115.00274	11.4
129.01796	2.2
146.27272	2.1
157.01404	10.9
175.02391	56.9
188.04745	2.0
217.03517	21.3
295.14871	2.0
303.07278	2.5
321.09476	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	321.0616
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
55.01736	3.3
57.03312	6.6
59.01239	6.1
65.00169	3.9
67.01753	6.2
69.03326	4.2
70.91811	6.3
71.01254	8.1
72.16840	2.0
72.99169	3.8
81.03332	14.6
83.01274	12.2
83.04861	3.2
85.02818	27.0
87.00723	3.6
93.03322	8.3
95.01245	11.2
95.04903	6.1
97.02822	13.3
99.00732	9.9
99.04376	3.9
101.02337	2.6
104.20328	2.4
105.03362	4.0
108.02040	4.8
109.02828	81.7
111.00759	50.2
111.04417	3.1
113.02312	5.6
119.04879	2.1
121.02853	13.3
123.00774	18.5
123.04427	21.5
123.53610	1.9
124.01544	5.1
125.02331	86.6
126.02672	3.2
127.00256	7.5
127.03901	5.5
135.04378	6.8
137.02336	42.8
138.03004	2.2
139.00255	34.6
139.03902	10.5
140.01010	4.4
140.23532	2.5
141.01819	34.6
145.02895	3.3
146.03558	2.5
147.04385	8.9
149.02336	51.1
150.03069	8.0
151.00276	3.0
151.03873	12.7
152.01059	4.8
153.01828	100.0
154.02261	4.8
154.99796	22.5
155.03300	2.1
157.01337	3.2
159.04364	5.6
161.02388	14.6
161.05971	4.1
162.03110	3.6
163.03917	8.0
164.01082	3.6
165.01843	20.2
165.05424	2.5
166.02435	3.3
166.16180	2.2
167.03419	17.0
171.04390	4.6
172.05162	4.4
173.06003	5.2
174.03122	4.2
175.03929	17.9
176.01093	3.2
177.01842	20.4
177.05421	4.4
178.02548	2.7
179.03387	5.5
181.01283	7.3
181.05020	10.9
183.02861	6.4
185.05975	5.3
187.03908	5.1
187.07489	2.4
189.05531	8.5
191.03397	6.3
193.01370	2.8
194.02150	3.9
195.02895	6.0
197.06046	3.4
199.03880	3.2
200.04596	2.9
201.01872	4.8
203.03427	4.4
205.04996	7.7
209.59747	2.0
213.05447	4.9
215.03401	4.5
215.07004	3.8
216.04219	5.1
217.05025	21.7
231.02913	3.6
231.06615	6.4
233.04427	5.0
233.08150	5.0
235.06032	5.0
241.05014	11.4
243.02992	2.8
257.04559	3.1
259.05945	12.0
275.05676	5.9
277.07101	2.6
285.04083	13.5
303.05066	25.8
320.91031	2.4
321.06116	67.2
321.09848	4.3
322.06192	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	321.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15128	2.7
59.01243	17.9
65.00972	2.9
65.03825	4.5
69.03306	9.2
70.08817	5.4
70.09216	9.4
71.01246	13.6
72.99178	49.3
73.02821	11.3
75.00729	5.1
81.03326	8.1
83.04882	8.6
84.39197	3.4
85.02807	17.0
85.99137	3.1
87.00748	9.1
93.03323	13.8
95.01247	9.5
95.04861	4.8
97.02825	13.8
99.00742	6.0
99.04404	4.7
100.98705	4.8
103.00244	100.0
107.04895	3.2
109.02829	30.3
111.00754	12.9
111.04379	13.5
113.02298	8.8
121.02803	8.0
123.00763	7.0
123.04398	9.8
125.02305	17.5
127.03957	3.2
135.04407	4.7
137.02359	24.4
139.00269	30.4
139.03883	11.7
140.01039	8.4
141.01788	12.3
146.99258	31.0
149.00810	3.5
151.03871	9.2
153.01819	16.5
155.03387	14.2
167.03395	5.7
169.04956	3.8
175.35046	3.1
179.03407	9.9
195.02946	3.0
197.04413	10.6
213.04025	18.4
215.05597	5.1
217.03452	9.1
223.02415	5.5
227.01895	3.5
229.03525	7.0
259.04663	3.9
285.02603	5.3
303.03531	19.9
321.04565	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0612
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
53.68896	4.2
57.03321	8.0
57.17349	4.0
59.01226	7.3
67.01756	4.8
68.52478	4.0
69.03316	7.4
69.27370	40.6
69.27793	9.1
71.01241	5.4
72.99165	4.5
81.03326	10.4
83.01262	9.3
85.02828	21.5
87.00718	4.6
88.66142	4.2
93.03340	6.8
97.02818	13.2
98.19784	8.9
99.00718	10.5
109.02830	62.3
111.00743	38.6
121.02840	12.4
123.00775	11.5
123.04379	11.9
124.01514	7.2
125.02328	59.2
127.03862	5.4
137.02322	42.0
139.00237	33.1
139.03809	5.6
141.01819	37.2
144.90489	4.3
147.04352	6.3
149.02359	44.6
151.03917	8.9
153.01823	90.8
154.99748	25.3
161.02330	15.0
161.05928	5.6
163.03867	4.9
163.80994	4.4
164.75346	4.1
165.01831	11.2
165.05342	5.1
167.03384	18.8
171.04425	4.3
172.05132	6.1
173.02391	4.7
175.03894	16.2
177.01813	18.8
179.03397	7.5
181.01227	6.1
181.04947	16.8
183.02928	7.4
189.05571	9.0
191.03500	7.5
195.02859	6.6
201.01932	6.1
217.05016	22.8
219.02809	5.8
231.06654	7.5
233.04433	6.1
235.06110	5.2
241.05049	12.3
257.04474	4.7
259.06042	16.1
271.46661	4.3
285.04016	16.5
303.05090	32.8
321.06064	100.0
322.06213	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74075	5.2
59.01241	22.6
63.18865	5.3
67.63469	4.9
69.72040	4.8
69.84427	26.1
72.99162	25.9
73.02826	7.9
83.01298	6.5
83.04899	6.3
87.00763	14.2
89.68071	5.7
93.03354	9.1
95.01203	6.6
97.02837	13.0
103.00246	100.0
109.02833	23.3
111.00768	8.4
111.04404	8.9
121.02879	8.7
123.00689	11.3
123.04430	10.8
125.02341	15.7
137.02364	23.6
139.00258	19.7
139.03920	11.9
140.01062	5.3
141.01822	9.3
146.99280	7.9
151.03865	6.2
153.01775	6.0
155.03392	10.7
163.03922	8.0
167.03387	7.5
179.03397	6.4
197.04451	10.2
213.03989	13.1
229.03142	6.1
259.04504	5.6
262.86301	5.4
270.03864	9.8
278.90070	6.8
294.13718	5.4
303.03537	12.2
321.04559	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0509
Annotation	DMPP
Peak:m/z	Relative Intensity
59.55906	28.3
70.74076	100.0
72.99169	92.8
97.02824	41.3
103.00260	71.6
107.04930	42.5
109.02802	44.6
118.62627	34.0
137.02325	57.7
143.63515	31.2
161.44551	36.9
258.96588	37.3
317.05182	78.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.082
Annotation	Ourateacatechin
Peak:m/z	Relative Intensity
57.03325	15.5
59.01242	1.7
61.00359	0.8
69.54841	6.3
77.03858	1.0
83.01275	2.9
93.03345	1.9
95.01283	2.5
96.95860	1.2
97.02858	4.5
108.02037	1.1
109.02830	7.2
111.00790	0.9
111.04344	0.8
120.02070	2.5
121.02853	5.3
123.00770	1.8
123.04414	1.1
125.02335	100.0
126.02671	3.3
133.02832	2.8
137.02333	11.4
139.00348	1.3
139.03859	2.2
141.01878	1.5
149.02364	2.5
150.05148	0.9
151.00325	1.4
153.01814	2.3
159.04376	1.3
161.02344	20.5
162.03053	1.5
163.00220	1.0
164.01060	21.5
165.01840	40.3
166.02151	2.1
169.01344	1.0
175.03795	1.2
175.96825	0.8
177.01817	3.5
191.03365	1.3
193.01311	2.6
197.04478	20.3
201.05602	1.0
203.03345	1.3
243.06525	1.7
245.04388	1.0
275.05441	1.2
287.05573	6.9
301.03305	1.4
319.04611	2.6
319.08163	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	317.0301
Annotation	3,5,8,3',4',5'-Hexahydroxyflavone
Peak:m/z	Relative Intensity
58.75613	2.3
63.02254	10.8
65.00203	15.3
67.01761	5.9
68.99715	2.9
69.39280	15.7
69.39718	8.7
71.01206	3.1
79.01755	7.7
83.01248	15.4
91.01759	9.8
93.03325	30.4
95.01259	25.3
97.02825	5.1
99.00754	42.8
107.01274	23.5
108.02044	3.2
109.02830	27.2
111.00768	37.7
117.03354	20.7
119.04881	8.0
121.02821	6.0
123.00768	43.2
125.02310	15.7
131.04871	2.7
133.02835	5.4
135.00798	22.8
135.04369	6.0
136.98688	8.1
137.02350	15.0
139.00261	38.1
139.03891	5.1
141.01866	21.2
143.04890	6.3
145.02792	9.6
147.04410	3.3
149.99437	8.8
151.00270	55.7
151.97559	2.6
153.01823	24.4
155.04875	3.6
157.06389	2.4
158.03644	4.2
159.04431	15.4
161.02347	16.0
163.00313	14.7
163.03845	3.3
165.01755	5.9
165.99017	3.2
166.99762	37.8
168.00481	6.0
169.01303	14.0
171.04324	3.6
173.05956	4.3
175.03870	8.1
177.01750	4.3
177.98932	11.6
178.99773	55.5
183.04401	8.7
185.05925	3.1
185.41692	2.5
187.03909	12.0
189.01820	10.6
190.99780	11.0
191.03391	5.5
192.00531	6.5
193.01416	4.6
194.99289	24.9
199.03937	9.8
201.05493	18.2
203.03453	14.0
206.99232	4.8
211.03908	5.3
217.01357	3.2
217.05002	6.4
219.02969	4.7
222.98746	4.8
227.03516	16.6
229.04915	12.4
231.02902	30.8
243.02917	10.9
245.04491	15.5
255.02922	13.1
261.04077	5.4
271.02454	24.6
273.03983	16.5
275.18555	4.5
289.03546	23.6
299.01886	13.4
299.05338	4.3
300.02606	7.6
317.02960	100.0
318.03250	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	315.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.9
59.01246	4.3
71.51982	1.3
79.01762	9.6
84.41782	0.6
85.06459	22.6
91.05414	2.4
93.03349	2.9
97.02832	3.9
107.01311	0.7
107.04929	2.1
109.02844	1.3
109.06469	5.3
111.04402	19.9
117.03384	1.0
119.04926	1.0
121.02843	2.3
121.06522	1.0
123.04384	4.9
125.02318	1.0
133.02846	4.4
134.03606	2.1
135.04405	12.6
136.05232	0.7
137.02399	0.8
137.05968	4.4
138.03087	0.7
149.02319	1.1
149.99524	1.0
151.03889	3.1
152.04671	3.2
153.05476	100.0
154.05780	4.2
163.03915	4.0
164.04550	0.9
165.01840	2.2
165.05458	2.6
171.07993	1.4
175.03912	1.0
177.05466	3.7
179.03419	11.9
180.04172	11.0
181.04939	3.6
187.07597	1.9
193.01299	3.1
193.04991	2.5
194.05643	0.9
197.04509	1.2
203.03455	0.9
204.04143	1.4
207.02966	7.8
212.03172	1.7
215.07072	9.5
227.10762	3.7
229.08626	5.8
232.97548	1.4
239.72992	0.8
241.08575	4.6
243.10297	3.6
253.08794	0.9
269.08215	1.9
271.02481	0.8
271.09747	16.8
284.03040	1.1
287.09232	67.7
288.09552	5.0
297.07632	5.7
300.02762	4.2
315.05154	6.5
315.08710	68.8
316.08951	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	315.1236
Annotation	4,2',6'-Trihydroxy-4'-methoxy-3',5'-dimethyldihydrochalcone
Peak:m/z	Relative Intensity
59.01243	11.2
71.57475	1.5
93.03326	24.3
94.03670	1.2
108.01997	0.8
119.04893	1.6
123.00745	0.9
123.04421	0.9
135.04361	1.6
150.02934	0.8
151.03868	3.5
151.89027	0.8
152.04665	7.5
163.03923	1.7
165.01895	1.0
165.05466	4.3
166.06268	2.1
167.07021	5.6
177.01790	1.5
178.02623	2.0
178.06302	1.6
179.03407	13.2
179.25160	0.8
180.04184	30.8
180.05771	1.8
184.03700	1.7
188.98483	1.5
193.04951	11.8
194.05762	99.8
195.06090	3.6
206.05772	2.7
207.06325	0.9
209.08122	100.0
210.08461	3.9
221.08130	7.7
232.97505	4.0
232.99614	1.1
248.80780	0.9
252.93318	0.8
294.86722	0.9
300.10022	7.0
304.59277	0.9
315.12354	78.1
315.25101	1.4
316.12650	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	315.1237
Annotation	2-(3,5-Dimethoxyphenyl)-3,4-dihydro-7-methoxy-2H-1-benzopyran-5-ol
Peak:m/z	Relative Intensity
59.01251	5.9
60.50298	0.7
63.74884	0.8
71.57137	0.9
75.00758	1.3
81.03333	2.8
83.04900	11.5
93.03336	8.8
94.96008	0.8
95.04894	0.9
101.05973	1.0
106.04144	0.9
107.04915	4.2
108.97911	0.7
119.04903	2.5
120.10671	0.8
121.02832	1.4
121.06444	1.6
123.04400	17.8
125.05968	1.0
133.02861	8.3
135.04439	1.8
137.05957	1.1
145.04965	1.5
149.02324	5.8
149.05995	2.1
150.03111	2.3
151.03917	42.0
152.04269	1.5
163.03940	1.6
165.05476	18.4
166.06267	16.6
175.04004	2.0
177.00458	1.4
177.01852	17.3
178.02568	4.7
179.03337	3.3
180.04263	4.4
181.08615	29.7
187.13289	4.4
193.04979	42.1
194.05504	3.4
194.33127	0.8
195.06551	8.2
211.06035	0.9
220.27557	0.8
226.06334	1.5
232.97504	1.3
239.07072	2.4
239.09317	0.8
240.07829	1.0
241.08629	1.4
246.86354	0.9
253.05104	3.3
257.08105	5.3
267.06613	6.9
268.07388	20.6
269.07736	1.7
283.09723	31.1
284.10056	1.8
285.07657	82.3
286.08020	5.7
297.11420	1.0
300.06699	1.5
300.09995	8.7
301.10501	0.9
315.12369	100.0
315.17661	8.9
316.12732	7.2
316.18652	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.2539
Annotation	(9S,10S)-9,10-Dihydroxyoctadecanoate
Peak:m/z	Relative Intensity
57.68665	0.3
58.00458	0.8
59.01253	2.9
60.01579	0.4
70.52362	0.3
70.80309	1.0
71.37143	0.3
91.35139	0.3
118.77608	0.3
125.09592	0.8
127.11177	2.9
135.04462	0.4
141.12732	4.5
143.10675	1.2
155.10699	1.4
163.03911	0.5
169.12238	0.4
171.10176	4.6
171.13783	1.2
201.11258	1.7
232.97476	0.5
235.03714	0.3
239.23772	0.4
267.23096	0.4
279.23328	2.4
295.22675	1.0
297.24335	7.6
298.24664	0.8
311.22208	0.5
313.23853	9.1
314.24155	0.6
315.25366	100.0
316.25714	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	315.0873
Annotation	Cyrtominetin
Peak:m/z	Relative Intensity
52.10935	0.2
53.19212	0.3
55.01764	0.7
56.51790	0.2
59.01242	0.3
59.07227	0.2
62.52238	0.2
63.90133	0.2
70.45469	0.9
79.01761	15.5
85.06461	0.3
91.05403	1.7
93.83150	0.2
107.04904	0.6
109.02833	1.9
111.04403	2.6
117.03332	0.2
120.26859	0.2
121.06344	0.2
123.04355	0.6
133.02821	0.3
134.03632	1.8
135.04408	100.0
136.04752	3.5
137.02301	0.3
141.73856	0.2
144.58676	0.2
151.03897	1.0
153.05463	3.2
155.62489	0.2
161.02357	1.0
165.05440	0.3
172.87267	0.2
179.03409	60.1
180.03755	1.9
193.05029	0.7
197.04523	1.3
205.05023	0.6
267.64926	0.3
293.74051	0.2
315.08725	16.6
316.09183	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	4.6
59.01248	2.0
65.00181	0.5
68.99693	0.6
75.92743	0.6
79.01768	9.8
85.06460	29.5
86.06790	0.6
87.70267	0.5
91.05411	2.9
93.03348	3.4
97.02810	3.9
107.04915	1.3
109.02833	0.7
109.06470	5.8
111.04402	17.3
112.04723	0.6
119.04898	1.2
121.02828	1.9
122.03606	0.9
123.00776	1.0
123.04413	4.1
125.02361	1.2
131.04916	1.1
133.02869	3.5
134.03600	1.3
135.04405	11.9
136.05179	0.5
137.05984	4.2
138.03148	0.7
145.02849	0.7
145.06482	0.7
148.05167	0.7
149.02328	1.1
149.05972	0.9
150.03281	0.5
151.00259	0.9
151.03883	1.6
152.04694	2.7
153.05478	100.0
154.05801	2.7
159.04422	1.1
160.51926	0.5
163.03860	2.7
164.04669	0.9
165.01846	1.1
165.05482	2.3
169.06499	1.4
171.08083	1.4
177.05441	2.7
178.06296	0.7
179.03427	11.5
180.04181	11.6
181.05002	3.5
184.03560	0.6
185.06047	1.1
187.03914	0.8
187.07570	2.2
190.02719	0.6
191.07079	0.8
193.01338	3.3
193.04987	2.3
197.04478	1.3
201.09138	1.3
203.03403	0.8
204.04271	1.3
207.02950	9.4
212.03191	2.3
212.08211	0.7
214.06198	0.5
215.07086	9.3
215.09045	1.0
227.10696	3.8
229.08614	5.7
232.97517	0.8
241.08643	2.3
243.10126	3.1
255.02928	1.1
269.08032	1.7
271.02554	0.8
271.09723	15.3
272.09955	1.6
283.02380	1.6
287.09244	69.0
288.09589	5.2
297.07672	5.5
300.02783	1.2
315.05582	2.1
315.08722	58.9
316.09033	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	315.0872
Annotation	Cyrtominetin
Peak:m/z	Relative Intensity
56.62623	1.6
58.56619	1.9
59.01251	16.9
67.01696	1.8
71.04894	3.0
71.53532	3.8
79.01759	17.1
83.11200	1.9
93.03338	11.8
94.59042	1.8
95.04963	2.0
99.04392	9.6
107.04922	6.9
108.02038	7.9
109.02856	10.8
111.04385	2.2
117.03356	4.2
119.04050	4.4
119.04906	79.3
120.05266	4.6
121.02846	7.2
123.00755	4.0
123.04392	24.3
125.02364	4.1
127.03901	22.4
128.92918	2.0
133.02805	2.4
134.03596	4.8
135.04414	100.0
136.04671	2.1
139.00186	2.1
143.04938	3.5
145.02841	11.1
146.03156	2.1
149.02351	7.7
151.00285	3.3
151.03908	15.6
152.30496	1.8
153.05464	14.1
161.02354	5.2
161.06041	2.6
163.03917	6.3
165.05460	7.8
167.03436	8.6
169.04988	5.1
177.01826	25.2
179.03415	45.1
184.71591	1.9
187.03909	3.9
189.05586	4.0
193.04991	4.4
195.02850	8.7
205.04974	17.1
227.07114	2.2
232.97513	10.3
232.99629	2.5
243.06429	2.0
255.06783	2.1
259.06259	2.9
266.42285	2.0
269.08121	5.0
271.09698	7.0
273.07562	3.6
297.07693	21.6
298.07883	2.5
300.02585	3.0
315.05115	6.0
315.08734	92.4
316.09097	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	315.072
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
56.79401	1.5
67.47390	1.7
70.31063	6.1
71.01240	2.1
81.03349	1.6
85.02824	2.3
95.01285	2.6
108.02049	96.3
109.02262	2.1
109.02847	25.0
121.02831	1.8
123.00822	1.8
125.02368	1.7
151.03940	2.5
152.01056	75.1
153.01830	33.0
163.04036	1.5
165.01831	2.4
239.86308	1.5
315.07217	100.0
316.07526	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	315.0875
Annotation	3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone
Peak:m/z	Relative Intensity
57.50547	0.4
58.00463	0.7
59.01244	5.1
65.00191	0.6
67.10861	0.4
69.47966	2.3
69.48370	0.9
71.01252	1.8
72.99190	0.5
73.53419	0.4
75.20914	0.4
76.71120	0.4
77.91225	0.5
80.51940	0.4
93.03332	36.6
94.03674	0.6
99.04375	2.2
102.75746	0.4
105.15078	0.4
106.04104	1.5
107.01294	1.2
107.04900	18.2
108.02065	1.0
108.99939	0.4
109.02843	1.5
117.03342	0.5
119.04908	7.9
121.02839	2.8
123.00770	0.5
123.04391	6.5
124.01581	0.7
124.98345	0.4
125.02322	1.8
127.03901	5.8
133.02797	0.6
134.03639	1.6
135.04404	60.5
136.04715	2.0
138.03116	0.6
143.04903	0.9
145.02785	0.8
147.04407	2.5
149.02377	0.9
151.00269	2.1
151.03899	3.0
153.01833	0.6
153.05571	1.0
163.03882	0.6
164.85571	0.4
165.05472	100.0
166.05792	3.9
167.03438	1.6
169.01373	0.5
169.05017	0.6
171.04424	0.6
177.01845	4.4
178.99765	0.9
180.00542	0.7
187.03931	0.6
195.02928	1.8
215.03317	0.7
231.02818	0.4
243.02948	0.8
271.02338	0.8
271.09772	0.7
273.07574	0.6
285.82220	0.4
287.01816	1.0
287.09253	0.8
296.89883	0.4
297.07632	1.6
315.01910	2.5
315.05319	1.6
315.08704	29.3
316.08954	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0719
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
56.39083	0.6
58.79169	0.6
59.01254	1.0
68.11337	0.7
68.91904	0.6
71.01247	2.2
71.45569	0.6
71.56638	1.0
72.99159	1.3
73.02814	1.3
81.03333	1.2
83.01241	0.9
84.19516	0.7
85.02807	1.5
87.00813	0.7
95.01258	1.2
101.02321	0.9
103.00227	2.3
108.02051	78.9
109.02844	27.4
110.52398	0.7
113.02332	1.4
121.02804	1.2
123.00763	1.2
123.04425	1.9
125.02353	0.8
135.04411	0.8
151.03934	2.6
152.01057	64.7
153.01837	32.2
163.03928	1.7
165.01866	2.0
177.85327	0.7
186.45778	0.7
207.78819	0.8
221.27310	0.7
225.03961	1.1
286.52591	0.8
315.07214	100.0
316.07504	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	315.051
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
65.00200	0.4
69.44637	2.0
72.16556	0.3
76.85155	0.3
88.05273	0.3
98.19818	0.5
103.38264	0.2
107.01275	0.4
108.02049	1.8
124.01551	0.4
135.00777	0.7
135.04437	0.5
148.01567	2.3
151.00282	1.2
163.00264	0.8
164.01054	1.1
179.03397	0.3
187.03821	0.4
192.00554	0.4
199.03880	0.8
201.01744	0.3
211.04042	0.6
215.03447	0.7
216.04239	0.6
226.02721	1.3
227.03462	2.9
238.13840	0.2
243.00455	0.5
243.02945	11.2
244.03424	1.1
254.02144	1.7
255.02946	25.8
256.03311	1.5
271.02463	56.9
272.02905	4.8
299.02130	1.3
300.02728	100.0
301.03088	6.4
315.05075	43.5
316.05444	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0508
Annotation	Milimorin
Peak:m/z	Relative Intensity
63.02262	0.8
63.15303	0.5
63.31629	0.6
65.00193	2.5
67.01743	1.3
77.03812	1.9
79.01765	2.1
88.89548	0.6
91.94185	0.6
93.03329	57.0
94.03661	1.0
95.01253	1.0
105.03339	4.5
107.01263	2.6
107.04926	0.9
109.02799	1.6
117.03338	4.4
119.04881	3.5
121.02838	44.1
122.03153	0.8
123.00701	0.7
123.62728	0.7
125.02398	0.9
133.02843	34.8
134.03180	0.7
135.00743	1.0
135.04404	1.0
143.04930	1.9
145.02852	1.0
147.04352	1.1
149.02347	1.2
151.00273	9.4
156.05737	2.3
157.06480	12.4
158.06885	1.1
163.00310	1.1
163.03798	1.1
165.01883	1.4
169.01251	1.1
169.06467	2.0
171.04462	0.8
171.08078	4.9
177.01804	0.8
178.99791	6.0
187.03951	1.2
199.03918	0.8
199.07616	4.8
203.03452	0.7
215.03409	2.2
217.01546	0.7
227.07082	22.1
227.09312	1.3
228.07620	1.4
231.03046	0.9
243.02959	1.9
259.02463	1.0
271.06100	100.0
272.06412	7.0
287.01984	5.2
315.01413	10.8
315.05109	9.8
315.08630	0.8
316.01938	1.8
316.05380	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2383
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
58.00906	0.2
59.01250	100.0
60.01588	1.1
71.56696	0.4
89.02321	0.3
119.04925	0.6
123.64917	0.2
125.02327	0.3
145.04965	0.3
151.94345	0.2
163.86215	0.3
172.60791	0.2
185.00737	0.8
220.62090	0.3
225.22208	1.1
253.21657	4.5
254.22044	0.4
255.53537	0.2
269.21121	0.3
271.22772	44.3
272.23160	3.4
313.11261	0.3
313.16483	1.3
313.23840	13.2
314.17383	0.3
314.24081	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96784	2.3
58.02848	15.4
59.01242	9.8
65.17864	2.2
65.20820	2.6
66.59943	2.2
68.22189	2.2
68.32896	2.3
70.00136	13.5
72.99177	46.7
75.00732	3.6
83.59684	2.8
87.00729	3.0
100.71284	2.4
103.00231	7.7
105.06985	3.5
106.06500	6.1
107.04909	13.5
119.04900	7.7
121.79280	3.1
123.04398	3.1
130.06522	10.4
131.04868	3.1
132.04387	7.2
133.02853	3.9
135.04381	7.9
146.05998	6.5
146.99220	2.4
147.04431	18.8
148.07565	18.0
149.05954	6.4
150.05508	3.9
163.03882	6.7
163.07512	5.4
165.05463	20.2
166.08604	3.5
174.05467	4.4
181.05003	2.7
188.07225	2.9
194.26590	2.7
206.08083	13.7
207.82446	2.8
220.06113	4.7
222.07697	2.2
224.05678	3.9
224.09206	9.4
234.95515	2.4
238.07120	11.5
240.08739	3.4
252.08702	4.7
296.07745	10.3
314.05444	4.8
314.08792	100.0
315.07178	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	315.0145
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
55.52753	0.9
63.02273	7.5
64.74287	1.2
65.00194	18.3
67.01764	1.2
70.35417	3.2
76.53322	1.0
83.01248	7.3
91.01785	2.9
92.99683	1.1
93.03348	3.0
95.01264	3.6
97.02785	1.0
99.00672	1.2
107.01267	19.5
109.02836	3.0
109.99972	5.4
111.00775	2.8
115.05381	2.1
117.03333	1.9
119.01289	2.0
119.04899	2.1
121.02831	3.9
123.00776	5.3
125.02362	4.9
129.03308	1.2
131.04970	2.2
133.02832	4.8
135.00761	7.6
135.04272	1.1
136.98712	1.4
137.02310	1.5
137.99416	1.2
139.00278	3.0
139.03879	4.1
143.04944	6.9
145.02863	4.1
147.00725	1.6
147.04407	4.1
149.02345	9.5
149.99460	1.8
151.00270	73.5
152.00966	1.2
154.04013	1.0
155.04863	1.7
157.02863	2.7
159.04411	10.2
161.02306	6.5
163.00278	8.3
163.03973	3.0
164.01012	1.6
164.98216	3.4
165.99055	4.7
169.01343	4.1
169.02678	1.2
171.04445	9.1
173.02354	3.1
174.03128	1.2
175.00291	3.4
175.03938	5.8
177.01842	4.8
177.98953	1.7
178.99780	38.4
185.02345	2.7
187.03941	14.7
189.01833	4.9
191.03320	1.7
197.02292	1.6
199.04004	8.5
199.27046	1.1
201.01814	5.7
202.02592	1.3
203.03400	11.1
205.01289	1.8
213.01843	3.2
214.02637	2.4
215.03452	20.0
216.03917	1.9
217.01343	3.6
219.02953	4.8
227.03410	2.9
229.01381	4.0
231.02953	12.2
241.01379	1.6
242.02281	1.9
243.02951	18.2
244.03342	1.3
245.00847	2.8
247.02411	1.8
258.01712	1.7
259.02441	21.2
260.03094	0.9
269.00729	1.5
271.02472	16.7
272.02780	1.2
287.01959	54.0
288.02344	3.1
297.00449	1.1
299.01837	1.5
315.01453	100.0
316.01941	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	313.1082
Annotation	Syzygiol
Peak:m/z	Relative Intensity
65.03829	0.3
71.14077	0.6
79.01763	1.1
84.19885	0.2
91.05407	0.3
93.03330	0.6
117.03292	0.3
119.04913	100.0
120.05248	3.1
122.03582	0.5
125.05970	4.4
132.27940	0.2
144.20361	0.2
145.02847	0.9
149.02313	1.2
149.05962	3.2
150.03125	7.0
151.03548	0.3
163.03926	0.4
164.04726	0.5
174.26752	0.2
178.02626	15.3
179.03110	0.8
192.04185	0.7
193.04985	24.6
194.05324	1.1
194.76088	0.2
207.06464	1.1
211.06065	2.5
224.03239	0.6
275.96222	0.2
298.08401	1.3
313.10797	36.5
314.04309	0.2
314.11118	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	313.2384
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
54.33681	0.2
57.57410	0.2
59.01250	100.0
60.01584	0.9
65.46951	0.3
65.47302	0.2
71.01270	0.3
85.65125	0.2
113.14684	0.2
119.04932	1.2
121.02794	0.4
183.10191	0.2
193.04958	0.5
204.98302	0.3
225.22215	1.1
253.19164	0.2
253.21700	5.1
254.22279	0.3
269.21356	0.3
271.22772	42.6
272.23123	3.0
313.11078	0.7
313.23834	12.1
314.23956	0.6
314.27075	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	313.108
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70242	2.4
79.01767	1.2
91.05400	0.3
91.88518	0.3
93.03340	0.6
106.81410	0.3
109.02794	0.4
117.03320	0.4
119.04907	100.0
120.05244	3.1
122.03575	0.3
125.02312	0.7
125.05977	3.7
139.18134	0.4
145.02853	1.0
149.02335	1.1
149.05991	4.4
149.87103	0.3
150.03116	5.9
163.03912	0.8
164.04648	0.4
169.01373	0.8
177.01721	0.5
178.02617	17.4
179.03146	1.1
187.65222	0.3
192.04240	0.6
193.04979	26.3
194.05243	0.6
202.40431	0.3
207.06549	0.9
211.06070	3.0
224.03143	0.7
269.08176	0.4
285.03958	0.6
298.08472	1.5
313.10782	39.6
314.11099	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	313.1079
Annotation	Syzygiol
Peak:m/z	Relative Intensity
50.55745	0.4
55.01764	0.3
59.01258	0.6
69.33046	1.6
69.33477	1.6
71.70999	0.3
75.55762	0.3
79.01765	2.1
81.51297	0.3
89.52188	0.4
93.03313	0.5
109.02850	0.9
119.04910	100.0
120.05257	3.2
121.02824	1.0
122.03596	1.1
125.05965	4.7
135.04405	0.7
137.02333	0.8
141.14111	0.3
145.02837	1.7
149.02356	4.2
149.05971	4.1
150.03120	20.1
151.03578	0.6
163.03938	1.5
164.04659	1.9
167.07005	0.4
177.01881	0.7
178.02626	28.5
179.03209	1.8
192.04190	2.2
193.04982	25.6
194.05324	0.9
207.06503	1.0
210.01643	2.3
211.06065	2.4
224.03148	2.6
270.08972	0.8
290.08102	0.3
297.07556	0.7
298.08426	5.3
299.08847	0.5
313.10803	57.7
314.11118	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	313.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83039	0.2
57.64538	0.2
59.01247	8.7
61.04283	0.2
61.98178	0.2
66.17542	0.2
71.01279	0.5
89.02290	0.5
93.03351	0.8
119.04907	100.0
120.05235	3.1
121.02875	0.2
135.04393	0.3
137.17987	0.3
145.02864	0.4
163.00264	0.4
163.03955	0.7
164.01031	0.3
167.29549	0.2
178.02696	0.2
179.03397	0.6
193.05064	0.3
224.03221	0.3
229.55486	0.2
243.28729	0.2
243.65987	0.2
253.21642	0.4
271.22778	3.1
283.06039	0.3
296.22427	0.2
298.08456	0.4
313.10806	18.7
313.23761	1.4
314.11237	1.8
314.27176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01234	0.8
59.35202	0.3
60.37904	0.2
66.76745	0.3
77.54437	0.3
79.01767	1.0
93.03329	15.0
94.03664	0.4
98.19770	0.7
107.68678	0.3
109.02854	0.3
119.04910	100.0
119.33270	0.3
120.05247	3.5
121.02836	1.3
122.03666	0.7
126.08787	0.3
134.03595	0.4
135.04404	0.5
136.05190	0.7
143.87553	0.3
145.02815	1.6
149.02365	1.6
149.06035	0.4
150.03137	10.5
151.03615	0.4
163.03908	1.2
164.04713	2.6
177.01918	0.4
178.02628	25.2
179.03076	1.1
192.04189	2.8
193.04982	47.7
194.05344	1.6
196.03772	0.7
206.75873	0.3
207.06651	0.7
210.01559	0.7
211.06136	1.7
215.39330	0.3
219.06577	1.1
224.03210	2.6
251.07420	0.3
252.07741	0.4
270.09009	0.3
274.14212	0.3
289.54846	0.3
298.08478	1.3
307.08563	0.3
313.10797	50.6
314.11157	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	313.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	4.2
71.01247	2.0
74.98939	18.6
75.95670	1.2
75.96102	1.7
82.74096	1.1
89.02308	2.6
91.02077	100.0
92.02045	2.4
93.00004	32.1
101.02342	1.2
113.02339	1.4
119.04863	6.6
121.02833	2.1
131.21344	1.3
151.06180	1.3
187.81322	1.1
188.97223	1.2
193.04997	1.6
197.94061	1.1
246.55577	1.1
292.24991	1.2
296.02853	1.2
297.04782	2.0
313.07394	2.3
313.10748	1.8
313.23688	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	313.108
Annotation	Syzygiol
Peak:m/z	Relative Intensity
59.01248	0.7
71.01246	0.2
71.58216	0.2
84.07604	0.2
89.02343	0.2
93.03342	0.5
95.18993	0.2
112.36043	0.1
119.04917	79.6
120.05239	2.4
121.02842	100.0
122.03178	3.4
135.04427	0.2
145.02826	0.2
151.26619	0.2
163.00256	0.2
163.03894	0.5
179.03418	0.5
180.05667	0.9
181.06519	4.6
182.06906	0.4
199.11931	0.1
209.09531	0.2
224.03227	0.4
225.05527	6.3
225.74924	0.2
226.05841	0.3
239.07071	0.2
269.08240	0.6
283.06174	0.2
297.07593	0.3
298.08377	0.3
313.07172	12.7
313.10855	15.0
314.07541	1.0
314.11227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.3
84.80727	0.2
93.03326	0.5
98.20564	0.5
101.67835	0.2
119.04913	47.2
120.05232	1.2
121.02837	100.0
122.03168	2.8
145.02835	0.2
149.38435	0.2
163.00252	0.3
164.01044	0.3
179.03415	0.2
180.05702	0.8
181.06502	4.0
225.05490	6.1
226.05934	0.4
229.18156	0.2
273.98312	0.2
310.78751	0.2
313.07159	13.5
313.10849	9.7
314.07468	1.1
314.11191	0.9
325.59918	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	CHEBI:67372
Peak:m/z	Relative Intensity
53.40485	1.0
55.01780	1.1
58.00945	1.1
59.01244	4.7
65.00174	2.6
68.99680	3.3
69.89576	1.0
71.01256	2.7
77.03858	1.2
79.01763	17.0
81.03331	2.1
89.02331	1.5
92.36040	0.9
92.99688	1.9
93.03339	20.9
94.01714	1.0
101.02331	1.5
103.01793	8.0
103.89104	1.0
105.03341	9.7
108.96824	0.9
113.02357	1.2
119.04919	77.6
120.05248	1.6
121.02837	7.1
136.86456	0.9
143.04872	1.5
145.02884	1.4
149.02371	11.1
165.01889	1.6
167.03438	2.3
187.03990	2.5
190.99814	23.3
191.03438	3.6
193.01361	100.0
194.01703	3.8
207.02963	6.0
211.02428	1.4
219.02946	14.1
230.98036	1.3
269.04642	1.7
271.05988	1.6
311.05563	2.6
313.07184	75.0
313.23849	2.8
314.07462	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	313.0717
Annotation	CHEBI:67372
Peak:m/z	Relative Intensity
52.67937	1.1
53.55230	1.0
56.64342	1.0
59.01237	6.1
64.66018	0.9
65.00179	2.6
68.99681	2.4
70.67313	1.1
71.01240	2.5
79.01759	14.6
81.03316	2.5
81.15805	1.0
81.68758	1.0
89.02327	2.3
93.03331	20.0
97.02837	1.2
101.02312	2.1
103.01762	7.3
105.03317	9.1
112.19453	1.0
119.04912	68.6
120.05278	1.6
121.02873	5.4
125.02363	1.4
135.04425	9.0
145.02895	1.3
149.02351	10.4
165.01814	3.9
167.03383	1.8
179.03484	1.2
187.03882	3.7
190.99771	20.0
191.03436	3.2
193.01344	100.0
194.01736	4.6
205.01306	1.7
207.02939	4.7
219.02953	12.1
225.30251	1.0
228.32457	1.4
253.09163	1.1
311.05588	3.3
313.07184	80.3
313.10516	4.0
313.23810	4.8
314.07544	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	313.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78519	0.9
59.01242	3.9
63.81151	1.1
65.00176	0.9
71.57331	1.3
77.03832	1.3
79.01761	3.3
88.31237	1.0
89.02319	1.7
93.03329	2.2
94.03886	0.9
94.04475	0.9
95.69842	0.9
97.02795	1.0
108.02035	2.5
109.02792	1.0
111.04288	1.0
112.22260	0.8
119.04911	33.0
121.02828	4.4
123.00735	1.1
123.04411	2.1
125.02327	2.2
127.59620	1.0
132.02048	1.5
133.02803	1.0
135.04385	6.7
145.02739	1.1
149.02351	3.1
151.00241	1.4
157.06425	5.4
177.01871	2.6
179.05502	1.2
185.05865	1.0
187.03851	3.1
193.01363	1.4
197.06030	2.1
198.03226	1.2
213.05455	2.2
225.05490	1.5
227.07227	1.2
241.01248	4.0
241.05016	57.7
242.01852	1.2
242.05374	2.6
245.00932	2.1
269.04544	88.5
269.07678	3.8
270.01682	3.6
270.05029	11.0
271.02499	1.1
285.03922	2.4
285.07431	1.2
295.22818	1.2
298.04803	100.0
299.05136	7.1
313.03656	5.7
313.07150	85.1
313.23853	9.3
314.07547	6.1
334.28879	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0354
Annotation	5-hydroxybowdichione
Peak:m/z	Relative Intensity
56.23579	0.4
57.03322	1.1
59.01242	1.5
63.02253	0.5
64.00758	0.4
65.00191	4.9
67.04099	0.4
69.80447	0.4
70.72678	1.3
71.01251	1.1
72.99181	1.2
79.01756	0.9
80.73355	0.4
81.03303	1.0
83.01265	5.9
89.02320	0.7
93.03340	0.5
105.03352	0.6
107.01260	5.5
107.04939	0.5
109.02796	0.5
117.03349	0.9
119.04887	4.7
121.02827	0.8
123.04380	1.2
125.02325	8.6
131.01289	0.9
133.02846	4.3
135.04414	0.9
143.04860	0.6
145.02841	1.2
147.04393	1.0
149.02287	1.1
151.00264	8.8
151.03906	0.9
159.00787	0.9
159.04393	0.6
160.01691	1.1
161.02357	6.8
163.00275	0.5
173.06070	0.9
174.03142	0.8
175.03970	2.6
179.03429	0.7
183.04385	1.0
187.00279	3.1
187.03847	0.7
189.05473	0.6
193.01370	1.0
193.05043	0.5
195.04457	1.0
198.03152	1.1
199.03929	2.0
201.05505	0.6
205.01363	1.5
211.04002	0.6
213.05515	1.0
217.05025	1.4
223.03958	1.4
226.02766	0.6
227.03511	1.1
239.03439	1.4
240.04338	0.5
241.04918	1.0
243.03020	0.8
251.03510	2.3
257.04379	0.6
267.02896	3.4
285.04135	2.3
285.07086	0.5
292.24860	0.5
295.02448	13.9
295.05777	0.9
296.02985	1.6
313.03534	100.0
313.06958	6.6
314.03918	8.3
314.07462	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0722
Annotation	Fontinalin
Peak:m/z	Relative Intensity
59.01244	10.7
62.67051	4.2
71.01260	4.5
71.55197	10.5
72.99176	58.2
75.00729	3.7
76.45879	4.1
87.00761	11.0
91.60836	3.5
103.00241	37.3
107.04878	5.2
108.02055	4.8
109.02790	4.9
113.91592	3.9
119.04897	17.4
121.02818	7.0
123.04435	11.1
131.04900	5.9
132.04442	7.2
143.04929	4.5
145.02870	5.3
146.05983	13.0
147.04434	7.2
148.03885	8.5
149.05956	7.7
151.21429	4.1
159.04460	9.7
161.05884	4.1
164.07047	10.7
165.05568	5.3
172.03838	5.4
174.05446	7.8
177.05460	20.6
181.04916	4.5
186.05542	7.9
188.07065	5.8
191.03357	6.2
204.06577	23.7
205.04976	4.9
205.06900	5.2
218.04482	5.3
220.06085	7.0
222.07710	14.0
223.06018	4.7
232.06100	7.6
236.05595	7.2
238.07153	8.7
267.05045	17.4
285.06165	6.7
294.06198	10.6
312.07211	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	312.0722
Annotation	Fontinalin
Peak:m/z	Relative Intensity
51.32856	1.8
59.01253	2.6
62.71194	2.0
69.77615	8.2
72.99179	43.9
87.00748	8.0
93.03345	2.3
101.00797	1.7
103.00249	10.7
106.21402	2.1
107.04884	3.6
108.04442	3.6
109.02873	5.2
116.93633	1.9
119.04942	3.9
119.21515	1.7
120.58888	2.0
121.02824	4.2
123.04396	8.4
132.04420	12.3
135.04442	2.1
143.70488	2.0
146.06024	3.5
147.04395	5.6
148.03911	4.4
150.05522	13.6
151.03920	2.4
156.04401	2.5
158.06079	2.6
159.04440	2.5
163.03862	2.4
164.06999	2.0
165.05461	2.8
174.05528	2.5
174.45251	2.0
177.05484	5.5
181.04982	7.5
186.05507	7.0
190.28984	1.8
192.06520	2.8
204.06609	16.7
218.04477	3.1
220.06155	3.3
222.07721	11.3
232.06065	3.6
236.05644	7.6
238.07208	3.4
250.07103	4.9
294.06259	13.9
312.07230	100.0
313.05655	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	12,13-Epoxy-9-hydroxy-10-octadecenoate
Peak:m/z	Relative Intensity
57.03323	2.1
59.01254	4.2
70.80357	2.7
78.42918	0.9
79.73563	0.8
83.04913	1.0
84.69116	0.7
93.03355	1.1
97.06422	1.1
99.08034	2.7
112.72797	0.8
113.09589	3.7
117.03326	2.3
125.09612	1.3
127.07566	1.0
129.09102	8.4
135.04433	1.0
139.11166	3.4
151.11215	1.0
155.10741	0.8
169.12259	3.2
171.10155	11.4
179.03194	0.8
181.12238	5.6
183.10219	1.1
183.13800	3.1
193.12291	1.1
197.11749	11.3
199.13353	5.6
201.11261	1.8
211.13322	22.2
214.16620	0.8
227.07149	0.9
267.06677	1.9
275.20108	2.4
281.08206	4.3
293.21228	16.3
294.21655	1.7
295.06122	5.9
296.06845	28.5
296.10202	1.6
297.07187	2.7
311.05695	1.3
311.09274	25.6
311.12982	4.2
311.22253	100.0
312.09552	2.6
312.22565	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	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
58.31059	0.8
59.01251	4.4
83.50792	0.7
93.03317	1.1
95.04886	0.8
113.09528	0.9
115.07557	1.3
119.71068	0.7
145.02840	1.5
148.16974	0.7
167.14320	3.5
183.01140	1.2
183.13847	2.3
195.13849	10.0
208.29227	0.7
211.13281	1.3
213.14903	1.4
281.08139	4.5
293.21191	8.8
294.21527	1.1
311.12952	1.8
311.17130	3.8
311.22266	100.0
312.22693	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	312.0723
Annotation	Fontinalin
Peak:m/z	Relative Intensity
54.16553	3.9
56.47215	3.7
59.01247	6.7
62.69884	4.0
71.01259	9.0
72.99178	56.5
74.56026	4.1
87.00758	9.9
87.18141	4.2
89.45882	4.3
93.03308	6.1
99.00802	3.7
103.00246	21.2
107.04890	4.9
108.02065	7.7
109.02818	5.2
119.40070	3.9
121.02814	6.3
123.04382	13.1
124.08895	4.0
132.04407	20.5
143.52258	4.1
144.04451	6.2
146.05978	8.8
147.04387	11.5
148.03854	4.3
150.05481	15.1
156.04471	9.8
159.04509	4.7
163.03964	4.9
165.31978	4.8
174.05496	8.0
181.04977	9.9
186.05473	9.5
201.89262	4.6
202.04727	3.6
204.06581	12.8
220.06029	9.9
222.07640	8.6
224.51125	4.6
232.06050	4.3
236.05499	7.4
238.07140	7.1
294.06165	16.6
312.07233	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	311.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15872	0.2
59.01242	0.3
59.59008	0.2
64.42533	0.2
69.94060	1.0
79.01753	0.2
79.91171	0.2
93.03334	8.0
94.03706	0.2
95.85220	0.2
108.63653	0.2
114.45477	0.2
117.03334	0.9
119.04921	4.6
119.05727	0.4
123.04396	0.2
131.04918	0.3
143.04929	0.5
144.42357	0.2
145.02849	0.5
147.04439	0.4
149.02327	0.5
149.05997	0.5
151.03920	0.4
159.04373	0.3
163.03899	0.3
165.05428	0.2
169.06502	0.3
171.04446	0.7
175.03917	7.7
176.04236	0.3
177.05475	0.2
181.06512	0.7
187.03925	0.3
194.07243	0.5
197.05965	0.3
199.76251	0.2
207.08109	0.7
209.09644	0.8
211.07498	0.3
221.06064	0.3
222.06976	0.9
225.05464	0.3
225.09187	0.3
235.07652	0.6
237.05591	0.2
237.09167	4.6
238.06294	1.8
238.09544	0.5
251.07117	0.6
252.07669	0.3
253.05975	0.3
253.08675	6.1
254.09023	0.4
260.89404	0.2
265.05099	0.3
266.05798	1.6
279.06583	1.0
280.07391	0.3
281.08179	100.0
282.05371	0.3
282.08533	6.5
295.09830	1.6
296.10513	14.7
297.10901	1.1
311.12872	47.3
312.13254	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	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03310	2.4
58.00490	0.8
59.01252	5.5
83.04912	1.1
93.03305	1.0
97.02791	1.4
99.08044	2.9
113.09615	4.3
115.89706	1.0
127.07535	0.9
129.09099	7.9
139.11183	2.0
145.02827	2.2
151.11118	1.2
153.12805	1.1
165.12791	1.3
167.14383	1.1
169.12231	3.8
171.10141	3.5
181.12228	5.6
183.01160	1.6
183.13812	2.7
193.12244	4.3
197.11751	14.1
199.13295	6.2
211.13335	23.8
212.13635	0.9
223.20522	1.1
229.33849	1.1
249.22325	1.1
253.04953	1.0
275.20108	1.5
281.05212	1.2
281.08072	4.2
293.21222	22.5
294.21536	1.8
296.06891	2.0
311.09424	1.9
311.22263	100.0
312.22662	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	310.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10620	5.2
50.11632	5.2
52.28645	5.0
55.47269	5.8
59.01246	12.5
62.31622	4.8
70.83053	6.3
70.83399	11.8
71.01254	9.2
71.63937	4.8
72.99183	56.8
84.99194	8.4
87.00755	13.5
88.10187	5.9
100.98702	9.2
103.00242	100.0
121.02850	22.1
122.03637	6.2
123.04387	6.4
135.04411	16.5
146.99222	34.0
148.03943	61.1
158.93367	4.9
162.05521	21.1
163.03903	14.7
165.56783	6.0
172.03925	14.8
175.03915	16.8
186.05539	5.7
193.05060	7.8
202.04956	12.8
204.06654	6.0
216.02892	8.0
218.04462	7.3
220.06012	27.4
234.04030	10.3
248.05659	7.0
270.03778	40.4
292.04605	10.8
310.05649	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27446	0.2
59.01245	0.7
60.26888	0.2
69.46149	0.3
69.46561	1.1
71.01239	0.3
72.99176	1.0
93.03350	2.0
98.19800	0.4
99.94373	0.2
106.04115	0.4
107.04911	1.8
117.03345	28.0
118.03676	0.7
119.04928	0.2
134.03639	0.2
135.04417	4.7
136.04823	0.2
136.72972	0.2
137.02307	0.2
145.02852	100.0
146.03195	3.3
147.04427	0.3
163.03918	0.5
165.01814	0.2
165.05484	3.0
177.42247	0.2
181.36626	0.2
182.16533	0.2
192.04132	0.2
203.74959	0.2
221.04535	0.9
225.91371	0.2
249.04007	0.4
255.06760	0.3
283.06140	0.2
303.26007	0.3
311.03986	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	0.3
65.20663	0.1
69.65578	0.4
69.65997	0.3
70.51647	0.1
71.01244	0.5
72.99178	1.8
74.80009	0.1
78.10555	0.1
84.09123	0.1
85.15432	0.1
91.81580	0.1
93.03331	8.0
94.03709	0.2
99.00731	0.2
106.04140	0.6
107.04928	0.8
108.02053	0.1
116.02499	0.1
117.03342	25.9
118.03668	0.8
119.04882	0.1
121.02811	0.1
123.04378	0.1
133.02843	0.2
135.04419	2.4
145.02847	100.0
146.02020	0.2
146.03191	4.0
147.04448	0.2
163.03915	0.8
165.05484	1.4
165.36493	0.1
177.05487	0.2
192.04225	0.2
193.04997	0.4
219.02992	0.1
221.04498	1.2
222.04716	0.1
235.02470	0.4
249.03990	0.6
311.04108	1.9
319.42160	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	310.0352
Annotation	Aristolochic acid II
Peak:m/z	Relative Intensity
55.16775	0.4
59.01240	1.3
63.02275	0.4
65.00187	1.6
65.99718	1.6
71.01241	0.6
71.58141	0.6
78.77489	0.3
84.48141	0.4
88.03921	0.4
92.35043	0.4
93.03323	5.5
106.02918	0.4
107.01270	0.9
116.94810	0.4
117.03304	0.8
120.00761	0.4
121.02831	1.7
130.02852	1.4
132.04462	0.6
133.01657	0.5
137.02328	0.7
143.04970	0.9
145.02829	0.8
146.02379	1.4
150.01848	1.8
150.84514	0.4
151.00252	1.4
155.04895	0.4
156.04514	1.9
158.02286	0.5
162.01843	1.3
165.01834	4.4
167.04948	1.7
168.04463	1.8
170.05936	0.6
171.04434	0.9
176.03435	1.1
178.01390	0.6
178.58281	0.4
180.04401	0.4
182.06010	0.8
183.04440	0.6
189.00566	0.8
190.01381	0.8
191.55574	0.4
194.06102	0.6
195.04401	1.5
195.06175	0.5
196.04027	0.8
198.05489	0.9
200.03441	2.1
209.04593	0.7
210.03365	0.4
210.05518	1.9
211.03899	2.9
212.03471	1.6
214.04976	1.2
221.04698	0.6
222.05688	0.5
224.03450	0.6
225.04074	0.4
226.04877	0.6
238.05034	3.0
239.03448	4.6
240.02972	0.5
242.04544	2.2
246.50397	0.4
249.87500	0.4
254.04547	2.6
255.03136	0.9
264.03070	0.6
266.04559	2.9
267.02921	1.7
268.02640	1.3
269.95944	0.4
281.03564	0.6
282.04123	3.6
283.02390	0.5
309.02682	0.6
310.03546	100.0
311.03860	6.6
311.07419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01237	21.1
67.40096	9.6
71.56482	10.1
72.99182	75.6
83.30212	11.2
87.00744	13.6
100.98666	11.5
103.00248	100.0
103.91902	11.3
121.02818	28.9
122.03573	15.6
130.64294	11.1
135.04416	25.8
146.99242	38.7
148.03943	73.7
162.05515	20.5
163.03909	29.2
172.03920	13.7
186.05505	14.0
193.05132	15.7
202.05032	21.6
203.03603	13.2
203.66371	10.3
216.02940	14.7
220.06139	13.4
245.63948	12.7
265.08289	11.5
267.64896	13.9
270.03812	31.8
310.05627	85.6
310.09183	17.7
310.51520	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	309.2069
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
58.50246	0.9
59.01243	5.2
59.06758	1.0
64.75583	0.9
71.01235	1.5
73.43438	0.8
97.87853	0.9
97.96327	0.8
98.20527	3.1
99.00708	1.0
106.38845	0.9
111.08036	3.5
125.09627	1.1
127.11156	2.3
136.63113	1.1
140.08229	1.1
151.03870	3.7
151.07510	6.1
152.08289	4.3
153.12794	4.8
155.10713	2.2
166.91898	1.6
167.10660	1.7
169.12196	1.4
179.10663	0.9
179.14281	4.0
181.12215	3.5
186.56741	1.0
191.14279	1.0
197.11705	4.2
199.13326	2.4
207.13826	3.3
208.10976	1.0
209.15457	7.1
209.97194	1.0
215.12796	2.3
227.12773	2.1
228.13611	1.1
232.17494	1.1
247.16978	1.2
247.20636	6.7
265.18066	2.4
265.21204	1.2
271.18689	0.9
273.18600	2.2
281.21143	1.6
291.16342	2.3
291.19659	41.4
291.77597	0.9
292.19952	3.0
309.17084	11.9
309.20651	100.0
310.17505	1.9
310.20935	9.0
333.37988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
51.60405	0.7
57.03315	1.6
58.00451	2.0
59.01249	1.7
71.01257	1.1
71.05639	1.8
73.02817	1.2
89.08103	0.8
93.06932	1.0
97.06465	1.2
111.08037	28.3
127.07484	2.5
151.07536	1.0
151.11130	1.6
152.08344	1.7
153.12743	2.3
169.12268	5.6
178.43134	0.8
181.12212	2.3
183.13811	1.4
193.12222	1.0
197.11757	100.0
198.12039	4.9
199.13336	4.8
208.10870	1.0
209.15393	3.3
211.13342	10.8
220.64418	0.7
227.12810	4.1
231.93001	0.9
247.16891	1.1
263.20175	8.6
264.20306	1.1
265.17905	2.8
273.18475	2.5
291.19644	18.2
292.20001	1.5
309.17020	4.1
309.20630	30.4
310.20944	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	309.2072
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
56.69001	0.2
57.03398	0.8
59.01326	2.2
69.03396	0.5
71.01299	0.5
71.04973	0.3
71.57720	0.4
72.91774	0.3
73.02900	0.3
83.04936	0.4
85.02871	0.4
95.05012	0.7
96.14001	0.3
97.02888	0.5
97.06577	2.0
98.03693	0.4
99.00845	0.5
99.04459	0.3
99.08104	0.5
109.06575	0.4
111.08142	0.9
113.09599	3.8
115.07536	2.0
121.10186	0.5
123.00842	0.4
123.04472	0.3
124.05183	0.4
125.06079	1.2
126.06828	0.4
127.07608	0.5
139.11191	1.3
141.09126	2.2
149.09750	0.4
150.10432	0.3
151.02962	0.3
151.04036	1.2
151.07541	2.1
151.11290	0.7
152.08334	1.8
153.12787	0.7
158.73474	0.3
162.10526	0.4
163.11302	0.6
165.12750	4.5
166.91995	0.3
167.10774	0.9
167.14314	2.4
169.12315	0.3
175.11203	0.4
179.10899	0.3
179.14424	0.6
181.12250	5.1
181.13660	0.4
183.13765	1.4
184.07463	0.3
193.12292	2.8
193.15999	0.8
195.13817	1.9
197.11766	1.3
199.13434	0.3
209.11838	0.5
209.15433	3.1
211.13313	3.8
212.13814	0.3
213.14978	0.5
217.16066	0.3
221.11833	0.4
221.15366	2.2
229.14491	1.4
229.19624	0.3
231.80969	0.2
239.12955	0.6
240.13646	1.8
241.14458	0.9
242.15233	0.3
245.19113	0.3
247.20647	4.5
248.21129	0.4
252.09958	0.3
263.20200	0.7
265.18057	0.6
265.21780	0.8
273.18637	3.4
281.21228	1.9
291.19653	47.6
292.19989	4.4
309.17328	5.0
309.20679	100.0
310.17795	0.4
310.21042	8.8
310.98492	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00485	1.6
59.78639	1.1
70.33656	4.5
109.06494	2.3
109.42500	1.1
111.08044	36.7
132.60329	1.1
169.12224	8.2
181.12299	2.3
183.13824	2.1
185.62889	1.4
197.11766	100.0
198.12125	3.9
199.13269	3.9
209.15457	2.5
211.13307	9.2
227.12857	3.5
238.81862	1.3
263.20117	7.0
265.18112	2.5
291.19647	16.9
292.19873	2.4
309.17432	1.9
309.20697	37.0
309.24258	2.2
310.21121	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03306	1.8
59.01260	4.8
59.01492	0.9
71.01244	1.9
71.57166	1.4
73.02798	1.1
93.06976	1.3
95.04890	1.0
97.06440	1.9
99.00743	1.1
111.08026	1.7
118.56996	0.9
121.02849	1.3
121.10109	11.7
123.08047	1.1
125.09608	9.1
126.09914	1.0
129.43201	0.9
137.09654	1.5
167.14319	2.9
171.10178	3.0
171.96260	0.8
177.47900	1.0
181.65363	1.0
185.11749	13.3
186.12024	1.1
195.13824	1.2
197.11780	6.3
209.11736	1.6
211.13327	66.5
212.13634	3.4
247.20726	1.5
251.16495	2.0
265.60873	1.3
290.25992	1.0
291.19638	100.0
292.19974	7.4
309.17255	1.6
309.20667	8.4
317.61414	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	2.2
59.01239	5.1
65.96001	1.2
66.75608	1.3
69.03320	1.7
70.14781	1.5
71.21338	2.8
73.02814	2.3
80.89868	1.4
83.04898	1.6
85.06490	1.3
87.55743	1.5
97.06499	2.1
102.94962	1.4
109.06461	3.6
111.08025	29.1
118.90124	1.3
125.09560	1.9
127.07553	2.8
151.03867	3.3
151.07549	8.9
152.08286	5.7
153.12682	1.9
155.10628	2.2
163.11192	4.3
165.12738	7.3
169.12282	4.2
171.10172	2.7
179.14346	2.1
181.12238	5.2
183.13834	2.5
193.15919	1.7
195.13742	2.7
197.11755	83.5
198.12056	4.6
199.13327	3.4
209.11734	1.7
209.15399	11.7
211.13326	15.3
221.15469	2.3
223.13313	4.6
227.12843	2.5
239.16412	1.9
247.20586	5.8
251.16541	1.5
252.10020	2.1
263.20074	4.3
265.17987	3.3
273.18555	5.7
291.19653	79.8
292.19849	7.2
309.17038	19.5
309.20667	100.0
310.17715	2.6
310.20926	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	0.9
66.02800	0.3
70.24655	0.8
70.25020	0.7
93.74084	0.4
96.95920	0.5
99.00723	0.4
100.08743	0.3
135.04366	0.4
148.05193	57.3
149.05553	1.7
151.03915	0.8
151.07556	1.3
152.08313	1.1
165.05495	1.6
179.01636	8.4
180.04192	100.0
180.82790	0.3
181.04521	3.3
182.04630	0.9
197.02676	0.9
197.11708	1.1
209.15378	1.3
221.63849	0.3
257.15457	1.2
265.08771	0.6
265.18069	0.4
265.21713	2.7
291.19669	0.9
293.08142	0.4
294.09015	0.9
309.11316	2.0
309.15323	5.1
309.20718	1.7
310.11569	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33886	0.5
59.01245	1.2
79.95600	9.4
80.96397	1.1
83.72548	0.4
92.86922	0.4
94.97940	0.9
95.95112	2.8
96.95884	87.4
97.06462	0.5
110.25578	0.4
122.97466	3.3
131.35091	0.4
151.03894	0.5
151.07545	1.5
152.08327	1.0
159.81743	0.4
165.12772	4.9
183.13820	1.6
197.11855	0.5
201.40858	0.4
209.11682	0.5
209.15398	1.7
248.84857	0.4
291.19598	0.7
309.17383	100.0
310.17685	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	307.1913
Annotation	Soraphen O
Peak:m/z	Relative Intensity
57.03331	0.7
58.21525	0.5
59.01249	4.7
59.70512	0.5
69.03309	1.2
71.01233	1.5
71.04891	4.2
71.58174	0.8
80.02540	1.1
81.03332	2.3
83.04897	1.9
85.02832	0.6
88.13808	0.4
92.29340	0.6
95.04893	2.3
96.02975	0.6
96.95873	1.4
97.02840	0.5
98.03596	2.0
101.02326	0.6
106.04097	0.8
107.04890	0.5
109.02838	0.6
109.06470	13.5
111.04404	7.6
111.08028	1.4
112.05173	1.2
120.05658	0.6
121.06452	0.8
121.10174	0.5
123.04429	0.6
123.08046	1.6
127.07538	3.2
128.27928	0.5
130.81120	0.5
135.08038	0.7
137.06013	0.9
137.09621	1.4
143.10654	1.1
145.06479	2.7
149.05989	0.8
149.09596	0.9
151.11177	0.8
159.08090	0.6
161.04497	0.7
161.55000	0.5
167.10712	3.0
169.12283	0.7
177.09123	0.7
177.12820	0.9
179.10695	1.8
181.12277	0.7
191.14252	0.6
195.13773	3.6
207.17413	0.8
229.16147	0.5
235.13382	1.1
245.19098	5.2
249.14911	0.9
251.16467	1.5
261.18661	0.7
271.16989	1.8
287.16525	2.6
289.18088	100.0
290.18433	7.5
299.26535	0.5
307.10315	2.0
307.15921	0.9
307.19147	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	307.2276
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
50.00345	0.8
71.58685	0.8
73.02787	1.0
98.59380	0.7
136.62361	0.8
154.05475	0.9
284.53525	0.8
286.52487	0.8
307.22760	100.0
308.23114	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	12.5
57.52493	2.6
58.00481	3.1
59.01248	24.6
63.87776	3.1
69.03336	3.4
71.01249	13.3
71.04893	2.8
78.93414	2.5
80.02541	3.1
81.03336	3.9
83.04879	7.5
85.06280	2.6
95.04878	4.4
96.95873	3.1
97.06467	28.1
101.02369	3.9
103.36384	2.5
107.35143	2.5
108.26841	2.6
109.06469	4.4
111.08027	13.2
114.28292	2.7
121.02798	4.6
125.09655	7.1
134.03502	2.8
135.07996	2.5
137.02322	3.3
137.09625	3.9
149.09586	9.6
151.11189	29.8
153.12669	2.7
155.10678	13.9
156.11105	3.0
161.04463	6.2
163.11209	5.5
165.12764	39.4
167.10707	5.7
177.12682	3.1
179.10669	9.0
179.86118	2.7
181.12271	32.8
182.12613	4.2
185.11671	3.3
191.10631	14.0
191.14317	10.2
205.12268	4.4
209.11745	64.1
211.13275	12.2
225.11124	4.2
239.09187	4.6
245.19086	37.5
246.19286	3.6
263.20114	13.9
271.17044	4.1
279.19659	3.9
289.18097	52.0
307.10260	7.4
307.19104	100.0
308.19360	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	307.1913
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.54085	3.5
54.47690	3.4
57.03320	5.9
59.01251	19.7
59.02533	3.8
65.03836	60.9
71.01265	9.2
71.04884	34.0
83.04887	11.3
85.02824	4.4
93.03310	23.9
96.95902	4.3
97.06465	63.3
101.85860	3.6
109.06498	4.5
111.04393	5.0
117.06974	23.8
119.04928	6.6
119.08542	37.3
120.05718	5.1
121.06473	82.4
122.86336	3.8
123.08100	6.2
125.09615	41.3
133.06487	8.7
135.08057	100.0
136.08391	7.3
137.09625	9.0
138.06796	4.2
161.04446	4.1
171.10175	77.8
172.10570	3.8
185.11771	69.7
209.11732	36.8
211.13367	26.0
233.15407	13.5
235.11189	6.7
235.13373	67.8
245.19005	5.6
247.06097	5.7
249.14978	13.3
252.13654	4.9
271.16919	5.6
279.19702	5.1
289.18103	95.7
290.18549	7.0
307.10385	9.8
307.19119	61.3
308.19293	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	4.0
59.01248	8.7
67.01752	0.9
67.05401	0.8
69.03329	1.8
71.01247	2.0
71.44665	1.2
80.02538	2.9
81.03322	5.9
83.01256	8.1
83.04893	4.4
85.02871	1.7
86.17575	1.0
91.27664	0.9
93.03339	1.4
95.04892	4.7
97.02840	6.0
97.06465	11.3
99.00733	1.0
101.02317	1.6
106.04169	1.6
107.04893	1.6
109.02826	1.7
109.06452	3.1
110.03632	1.3
113.05968	1.0
119.08534	2.2
121.02861	1.4
121.06468	3.1
121.10096	1.1
123.04414	11.8
123.08060	5.0
125.05996	1.7
125.09612	18.4
135.08052	3.7
137.05992	2.5
137.09605	16.5
141.09109	1.2
141.12698	4.4
142.02594	2.6
147.08058	1.3
149.05994	3.5
149.09612	1.3
151.07526	1.4
151.11179	1.2
159.07997	1.1
160.08815	0.9
161.09633	1.9
161.86948	1.0
162.10423	1.1
163.07555	2.4
163.11201	17.9
165.12756	3.0
167.10696	2.1
171.10158	1.1
173.09612	1.8
175.11272	1.7
177.12759	2.9
179.10701	3.9
181.12247	6.4
185.11760	26.7
191.10693	3.7
191.14334	21.7
192.14693	1.3
192.24376	0.9
207.10223	11.4
209.11781	39.0
210.12099	2.1
211.13539	1.6
215.14497	1.1
217.15863	2.5
225.11267	10.0
226.11972	1.2
227.17903	1.0
243.17561	1.2
245.19067	48.9
246.19389	3.1
247.16989	1.4
261.18503	1.1
263.20166	2.3
271.16983	5.6
287.16571	1.3
289.18085	100.0
290.18454	7.6
307.10275	2.0
307.19141	55.8
308.19507	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	307.1914
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
56.22491	1.8
57.03315	8.9
59.01248	15.0
69.03316	4.3
69.45797	5.5
69.46217	15.2
71.01254	13.3
75.35588	2.0
79.98758	2.0
83.04900	4.6
83.07682	2.1
84.93407	1.9
93.03342	3.2
95.04906	3.4
97.06465	23.1
107.04918	3.1
107.08607	2.8
109.06454	3.2
111.08086	10.4
111.08765	2.3
123.04398	5.5
123.08025	3.2
125.09590	3.9
127.11179	2.3
137.02264	2.8
137.05995	2.9
137.09619	4.7
138.06804	2.6
139.11183	2.3
149.09612	5.3
151.11179	23.6
153.09071	2.7
153.12743	4.4
155.10698	17.2
163.11214	7.4
165.12759	24.3
167.10675	6.1
169.12239	6.5
177.09196	3.3
177.12715	5.6
179.10677	9.2
181.12267	26.1
191.10677	11.5
191.14348	10.7
205.12312	6.3
209.11766	53.0
210.12100	3.3
211.13330	8.3
221.15460	2.5
223.53001	2.4
224.10564	2.3
239.09227	4.2
245.19077	38.5
254.90550	2.2
261.18604	3.5
263.20142	14.3
271.17010	5.5
279.19693	6.1
289.18094	54.6
290.18427	2.9
307.10461	3.7
307.19144	100.0
308.19507	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37947	2.5
57.03313	4.8
59.01250	19.4
69.03321	4.6
71.01239	4.9
71.56474	3.2
71.56862	3.0
80.02555	3.8
81.03328	5.8
83.01237	6.0
85.02811	4.4
95.04887	5.2
96.95869	3.8
97.02820	5.4
97.06449	6.5
101.02321	3.9
121.06405	3.5
123.04383	7.5
123.08061	6.2
125.09598	14.4
135.08041	3.7
137.09612	9.7
141.12712	6.8
151.11189	3.3
161.04445	6.5
163.11211	17.7
165.12740	5.0
167.10741	3.5
185.11777	20.0
191.10681	3.7
191.14354	14.4
207.10173	9.2
209.11763	26.2
214.53822	2.7
216.86382	2.9
225.11285	8.6
245.19084	43.1
271.16904	3.7
289.18103	100.0
290.18393	9.7
307.10266	9.5
307.19131	67.5
308.19232	6.1
329.27606	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
51.46887	1.4
57.03304	1.6
58.67341	1.3
59.01249	10.6
61.94004	1.3
69.33472	12.5
71.01270	2.1
71.04886	33.7
71.63255	1.3
81.03333	2.3
83.04910	3.4
93.03342	3.0
95.04903	12.8
97.02843	2.2
103.12671	1.5
106.04081	2.3
107.04881	1.5
109.06469	12.3
119.04929	1.8
120.05720	2.3
120.34172	1.4
121.02837	2.0
121.06475	4.7
123.04385	2.5
123.08049	2.0
125.09622	2.0
127.07511	2.2
135.08049	9.2
137.09561	1.8
141.01595	4.8
147.04381	2.6
147.08032	3.3
161.09666	1.7
165.09116	9.3
185.11707	2.9
187.27760	1.5
189.12801	12.1
205.15906	10.6
233.11783	6.8
239.92308	1.5
243.17488	11.1
249.14891	10.4
261.18530	2.4
269.15460	2.5
287.16516	70.5
288.16870	7.2
305.08206	3.4
305.17587	100.0
305.20724	3.5
306.18060	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1399
Annotation	NSC-224070
Peak:m/z	Relative Intensity
50.30252	0.7
52.32369	0.7
55.01754	1.6
57.03302	0.8
58.00464	2.3
59.01248	42.7
62.27167	0.8
69.73893	5.2
71.01254	28.4
72.99169	2.3
73.02816	3.1
83.01258	3.0
85.02827	8.8
86.11384	0.9
87.00748	1.3
88.09641	0.8
89.02316	22.1
95.01280	2.7
97.02793	1.1
99.00769	2.2
99.08031	23.9
101.02323	18.9
113.02332	10.4
113.09580	0.7
119.03389	8.1
127.07526	4.0
129.09097	2.4
136.33839	0.9
141.09122	1.5
143.03403	0.8
145.01408	0.9
145.08600	64.7
146.08939	2.1
159.02875	0.9
161.04430	0.9
179.05518	1.4
186.59004	0.9
187.09685	2.4
307.13974	100.0
308.14178	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	305.1756
Annotation	Corrin
Peak:m/z	Relative Intensity
55.88877	1.0
57.03297	1.3
59.01249	8.5
71.01245	1.5
71.04888	45.2
71.56537	1.2
81.03327	3.7
83.04902	1.4
84.47190	1.1
85.33348	1.1
93.03322	2.9
95.04899	22.7
97.02818	1.1
97.06452	1.3
99.06316	1.0
106.04129	2.1
107.04920	2.3
108.02023	1.2
109.02821	1.2
109.04915	1.0
109.06480	17.2
111.04397	2.9
114.56641	1.0
121.06467	5.3
127.07563	1.9
135.08047	3.0
141.01578	3.2
147.04393	1.8
147.08051	3.0
149.05991	1.2
149.09650	1.2
150.06775	2.7
150.35078	1.1
158.07356	1.1
161.06013	2.1
165.09120	13.7
168.13753	1.1
169.14185	2.1
173.09454	1.2
175.07545	1.6
175.11176	1.1
179.14420	1.3
187.11147	2.0
189.12787	16.5
205.15892	12.5
230.20769	1.1
231.13896	3.2
233.11772	8.3
243.17586	10.1
249.14915	13.5
261.18787	2.0
263.16519	1.8
269.15372	2.5
287.16507	86.1
288.16965	6.1
305.17569	100.0
306.17776	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	305.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35220	1.0
51.98402	1.0
53.90202	1.2
57.03307	3.7
58.02833	1.8
59.01247	8.3
65.81523	1.3
66.21590	1.3
69.03326	2.1
71.01244	1.9
72.99159	2.1
73.27402	1.0
73.28536	1.1
74.02338	3.2
81.03333	3.4
83.01287	5.8
85.02826	1.6
86.02419	1.3
93.03340	3.1
93.68439	1.3
95.01239	8.5
95.04904	4.8
96.95876	19.4
97.02843	7.9
99.00756	17.5
99.04401	2.0
99.05499	3.3
103.00256	2.3
109.02196	1.1
109.02832	30.8
111.00755	18.4
111.04420	2.3
113.02328	2.5
121.02842	6.1
123.00748	8.6
123.04401	16.4
124.01540	4.5
125.02335	37.5
126.02686	1.9
127.00271	1.6
128.03424	8.5
133.02785	1.7
135.04391	3.1
137.02335	31.8
138.03050	4.2
139.00259	26.2
139.03911	12.4
140.01060	5.5
141.01823	7.8
143.04533	12.2
149.02309	6.8
149.05952	2.2
150.03116	1.4
151.03922	10.1
153.01826	4.1
155.03284	1.7
159.04417	5.4
160.00635	3.4
161.02345	23.8
161.05957	1.6
162.03136	8.6
163.03845	3.7
164.01060	4.6
165.01831	9.4
165.05499	3.6
166.02646	1.6
167.03392	10.3
173.06026	2.0
175.03908	3.9
177.01855	1.9
177.05551	6.2
179.03391	6.1
181.01401	1.4
181.04953	3.8
191.03448	2.0
195.02942	2.2
197.04385	1.7
201.05537	2.9
203.03412	5.4
205.05009	4.1
215.07106	2.5
217.04979	3.6
219.06554	11.1
221.04448	2.4
225.11314	3.5
243.06607	4.0
254.07797	2.9
259.06122	2.9
261.07623	3.5
269.04593	1.5
272.08871	4.7
277.06973	1.2
287.05685	13.0
305.06696	100.0
306.07254	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	305.0667
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
52.13019	2.2
57.03313	11.3
59.01227	3.0
69.03310	5.1
69.87846	5.6
69.88239	5.1
71.01263	3.4
81.03309	7.0
83.01270	12.8
85.02813	3.2
85.51247	2.1
93.03323	4.8
95.01237	10.3
95.04866	4.5
95.35841	2.0
97.02812	10.8
98.20480	3.3
99.00748	23.5
99.04379	7.3
108.02013	3.5
109.02831	51.3
111.00766	30.7
111.04388	3.3
113.06000	2.9
121.02828	12.6
123.00745	13.2
123.04426	25.4
124.01522	6.2
125.02327	100.0
133.02844	2.7
133.06372	2.5
135.04370	8.3
137.02336	43.9
138.03079	3.2
139.00273	39.1
139.03906	17.5
140.01047	8.5
141.01787	11.7
143.04411	2.7
147.04425	2.3
149.02312	15.7
149.05956	4.7
149.20389	2.7
151.03897	15.9
152.72128	2.7
153.01819	6.1
159.04398	9.2
161.02330	43.8
162.03111	16.9
163.03842	8.1
164.01076	5.3
165.01826	17.3
165.05463	5.6
166.02403	2.8
167.03363	12.8
173.05954	3.4
175.03888	7.6
177.01817	3.7
177.05501	10.9
179.03416	10.3
181.05000	4.8
190.02576	3.2
191.03423	3.0
195.02853	11.0
200.04669	3.2
201.05489	10.8
203.03412	9.0
205.04971	6.6
218.02126	3.7
219.06578	14.5
221.04434	2.9
225.05482	3.0
227.03391	2.9
243.06554	7.2
245.00894	3.2
245.04391	3.1
245.08235	2.2
246.01387	2.6
249.04146	6.9
254.07764	2.5
259.06210	3.3
261.07608	4.3
269.04468	5.4
273.00320	3.3
277.03580	12.0
287.05612	18.7
305.02966	14.2
305.06592	96.2
305.10150	5.4
306.07166	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	305.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	10.0
63.76917	1.6
65.03815	2.4
68.62970	1.5
68.99673	2.1
69.03324	5.0
71.01247	10.5
71.56615	2.9
72.99180	66.5
73.02818	13.4
75.00735	3.1
81.03333	8.9
83.04883	4.8
84.99174	4.8
85.02822	6.3
87.00727	12.6
93.03320	8.8
95.01265	10.3
95.04899	6.2
97.02811	9.3
99.00750	4.0
99.04382	4.2
100.98698	8.7
101.02306	3.9
103.00248	67.8
107.04881	4.0
108.02050	2.7
109.02836	18.9
111.04385	7.8
113.02340	2.2
117.03349	1.7
119.04908	3.3
121.02847	13.8
123.00749	26.1
123.04416	17.9
124.01581	8.3
125.02335	26.2
125.05978	2.4
127.03882	2.0
133.02873	1.8
135.04401	7.0
137.02316	23.4
137.03293	1.9
137.05936	5.0
138.03163	1.9
139.03909	29.3
141.01871	8.7
141.05440	1.7
146.99263	29.3
149.00755	1.8
149.02310	2.1
151.03912	13.6
153.05446	5.0
163.03955	9.2
164.01122	1.8
165.01860	4.5
165.05463	5.3
167.03421	14.4
169.04961	2.7
179.03395	15.5
181.04967	12.8
186.27217	1.7
193.05083	1.7
195.02881	6.4
197.04477	24.7
199.06038	2.1
207.02974	4.2
211.02425	3.2
213.04051	3.3
215.05508	3.9
225.03963	3.8
229.03423	2.4
232.03990	1.9
243.05280	2.7
251.01848	2.6
253.68623	1.6
254.04230	1.9
255.05051	18.8
259.04477	1.9
269.03061	4.5
271.04449	4.8
287.04034	26.3
305.05124	100.0
306.05533	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	305.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35220	1.0
51.98402	1.0
53.90202	1.2
57.03307	3.7
58.02833	1.8
59.01247	8.3
65.81523	1.3
66.21590	1.3
69.03326	2.1
71.01244	1.9
72.99159	2.1
73.27402	1.0
73.28536	1.1
74.02338	3.2
81.03333	3.4
83.01287	5.8
85.02826	1.6
86.02419	1.3
93.03340	3.1
93.68439	1.3
95.01239	8.5
95.04904	4.8
96.95876	19.4
97.02843	7.9
99.00756	17.5
99.04401	2.0
99.05499	3.3
103.00256	2.3
109.02196	1.1
109.02832	30.8
111.00755	18.4
111.04420	2.3
113.02328	2.5
121.02842	6.1
123.00748	8.6
123.04401	16.4
124.01540	4.5
125.02335	37.5
126.02686	1.9
127.00271	1.6
128.03424	8.5
133.02785	1.7
135.04391	3.1
137.02335	31.8
138.03050	4.2
139.00259	26.2
139.03911	12.4
140.01060	5.5
141.01823	7.8
143.04533	12.2
149.02309	6.8
149.05952	2.2
150.03116	1.4
151.03922	10.1
153.01826	4.1
155.03284	1.7
159.04417	5.4
160.00635	3.4
161.02345	23.8
161.05957	1.6
162.03136	8.6
163.03845	3.7
164.01060	4.6
165.01831	9.4
165.05499	3.6
166.02646	1.6
167.03392	10.3
173.06026	2.0
175.03908	3.9
177.01855	1.9
177.05551	6.2
179.03391	6.1
181.01401	1.4
181.04953	3.8
191.03448	2.0
195.02942	2.2
197.04385	1.7
201.05537	2.9
203.03412	5.4
205.05009	4.1
215.07106	2.5
217.04979	3.6
219.06554	11.1
221.04448	2.4
225.11314	3.5
243.06607	4.0
254.07797	2.9
259.06122	2.9
261.07623	3.5
269.04593	1.5
272.08871	4.7
277.06973	1.2
287.05685	13.0
305.06696	100.0
306.07254	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27234	0.4
58.02847	52.8
59.01244	0.5
59.03157	0.5
64.90987	0.3
70.02862	0.5
95.73724	0.3
98.19767	0.9
109.80231	0.3
139.81734	0.3
141.66409	0.4
147.06331	0.4
168.13844	100.0
169.14201	5.3
187.27441	0.3
212.12839	4.3
248.33165	0.3
304.19009	0.4
311.61630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.228
Annotation	Samandarine
Peak:m/z	Relative Intensity
58.02829	0.7
59.01239	2.2
71.56708	0.6
71.67808	0.5
78.70117	0.6
86.05983	37.6
100.35993	0.7
130.05031	1.2
141.01569	1.0
144.64638	0.6
158.80347	0.5
168.13893	2.9
172.84248	0.5
193.52499	0.5
252.30429	0.5
262.21808	1.4
304.22797	100.0
305.23099	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	303.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	7.0
59.07213	1.7
59.19516	1.8
63.30952	2.1
70.87411	3.7
71.01249	4.5
72.99178	55.7
73.02809	6.0
75.00737	3.5
81.03346	2.1
83.04868	1.8
85.02823	7.8
87.00750	30.1
93.03329	12.1
95.01276	2.7
99.00741	3.0
103.00246	20.2
103.03917	2.3
107.04939	19.8
109.02817	13.9
111.04396	11.2
113.20860	1.9
115.00254	1.8
119.04927	9.6
121.02828	5.2
123.04414	14.8
125.05960	13.1
134.03621	2.0
135.04417	17.6
137.05972	16.9
138.06303	2.5
139.03911	5.3
141.05450	2.3
146.99213	4.5
147.04442	7.3
149.05943	6.8
163.03946	3.3
165.05479	38.7
167.06955	2.0
179.03433	4.8
179.06920	2.6
181.05020	5.0
183.06561	11.1
193.05000	6.2
195.06583	8.7
197.04520	3.6
209.04532	4.4
211.06094	3.3
213.07637	4.1
227.05550	7.2
251.04376	1.9
255.05072	8.9
255.20569	2.0
267.05020	3.0
270.03723	3.6
285.06161	12.0
285.10959	2.1
297.72415	2.7
303.07208	100.0
304.07669	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	303.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60957	6.6
57.03320	6.8
57.18766	7.3
59.01253	88.3
65.00177	12.0
69.34915	50.1
69.35340	22.5
71.01244	30.0
72.99168	64.3
75.00739	29.4
89.02323	66.6
91.27530	7.4
97.06454	22.8
97.95424	6.8
99.00740	13.5
107.01237	8.1
107.04919	17.0
109.02798	9.3
112.98668	20.7
117.01816	30.0
119.04924	11.1
121.06454	28.0
123.00693	10.0
123.04349	9.0
125.02338	30.6
125.05995	13.5
135.02924	19.1
137.02290	10.3
137.05875	8.1
139.07556	23.8
141.01762	8.9
142.99774	100.0
149.05959	21.5
151.00264	10.6
151.03940	14.0
153.05450	30.1
156.61209	7.5
167.07045	25.6
173.00816	22.2
174.01541	24.1
175.03941	9.5
180.07565	8.2
181.08604	27.4
189.05499	8.8
217.08777	8.1
225.07629	32.6
235.02255	7.7
259.06085	7.8
267.49387	7.8
274.03436	9.8
285.04123	19.4
303.00955	9.4
303.04129	39.9
321.92496	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	303.0509
Annotation	Taxifolin
Peak:m/z	Relative Intensity
57.03322	20.4
59.01261	0.6
63.02261	0.8
65.00201	3.6
65.00502	0.5
69.46156	2.2
69.46591	2.2
81.03288	0.6
83.01254	8.0
85.66692	0.5
93.03361	1.0
93.23109	0.5
95.01249	0.7
105.03327	0.7
107.01280	3.2
108.02074	0.6
109.02829	3.4
111.00749	1.0
119.04912	0.6
121.02853	2.3
122.03647	0.6
123.04417	7.1
124.01553	2.1
124.86198	0.5
125.02336	100.0
126.02654	4.1
133.02820	0.9
137.02341	2.6
139.03899	2.0
141.03589	0.5
143.04924	1.2
145.02843	0.8
147.04449	1.5
149.02338	6.2
150.03134	7.4
151.00269	10.2
151.03920	9.7
152.01064	4.1
153.01846	7.7
157.58470	0.5
159.04408	0.9
159.74223	0.6
161.02269	1.1
161.05998	1.0
163.00241	0.6
164.04616	0.6
165.05457	1.1
169.01393	1.3
169.02815	0.5
171.04460	2.0
173.05884	0.8
174.03162	3.9
175.03931	19.6
176.01015	0.7
176.04370	1.0
177.01851	18.5
178.99768	8.5
180.00018	0.7
181.01343	2.0
183.04396	0.6
187.03928	0.9
188.04712	2.6
189.05508	5.8
193.04985	4.0
197.06108	0.7
198.03224	1.0
199.03938	9.1
201.01831	2.8
213.05554	2.3
215.03410	0.7
215.07225	0.6
216.04247	1.1
217.05008	9.7
218.05307	0.6
219.02802	0.7
231.06633	1.7
235.06084	0.6
241.04999	6.7
243.02975	1.5
247.23555	0.6
257.04483	1.8
259.06104	4.7
275.05673	5.1
285.04034	58.5
286.04388	5.1
303.05075	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	303.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37594	3.5
59.01231	12.5
66.23680	3.6
69.03312	4.5
69.60850	3.5
70.80083	5.2
70.80438	8.2
71.01254	4.9
72.99171	22.9
73.02824	4.7
81.03336	4.5
84.99200	6.2
87.00749	6.6
93.03349	4.2
94.40454	3.8
97.02850	6.7
100.98656	9.5
103.00251	100.0
109.02821	16.8
111.00763	6.9
111.04409	5.5
112.98695	6.2
113.02262	5.9
121.02814	4.7
123.00742	10.3
125.02328	21.6
137.02306	16.6
139.00275	26.8
139.03918	5.0
140.01007	12.1
141.01842	22.5
146.99266	37.9
151.03917	4.7
153.01816	10.3
155.03366	9.1
167.03378	7.4
179.03418	7.6
192.40927	3.7
197.04494	18.1
213.03987	39.9
223.02426	7.5
229.03369	4.9
231.58896	3.7
270.03787	45.2
285.02448	13.2
303.03580	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01239	1.0
63.02246	0.4
65.00185	1.3
69.30623	2.3
69.31031	0.7
71.01222	0.3
83.01250	0.7
89.02321	0.5
91.03888	0.8
93.03303	0.6
107.01274	1.3
121.02825	1.4
132.09782	0.3
145.02885	0.5
149.86537	0.3
151.00281	4.3
152.51744	0.3
155.43932	0.3
165.12773	3.3
168.05276	0.3
170.88100	0.3
178.99777	1.3
183.13821	100.0
184.14163	3.9
199.37988	0.3
209.11780	2.4
227.12857	5.4
245.04456	0.5
255.03268	0.4
273.04037	1.0
299.98962	0.4
300.99884	5.7
301.03506	5.5
301.06927	0.5
301.11108	0.4
301.16577	10.0
302.00330	0.7
302.03687	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
56.17430	0.2
60.97372	0.7
65.00190	0.3
69.92343	0.9
69.92760	0.3
70.06078	0.2
74.98972	0.6
79.99214	0.2
92.99994	0.3
95.45884	0.2
107.01251	0.3
118.96179	0.6
134.99292	5.6
136.97231	2.5
141.07329	0.4
143.05266	0.2
150.98859	0.4
151.00256	0.8
159.08339	1.4
161.06300	7.3
162.06581	0.4
178.99686	0.3
180.86665	0.2
195.09846	0.2
201.04007	0.6
203.05569	3.5
204.05705	0.3
205.03462	1.4
215.05583	0.9
217.07146	83.6
218.07274	5.6
235.08163	0.6
261.06091	0.4
283.11838	0.7
285.13455	35.8
286.13638	3.1
300.99768	0.6
301.03485	1.7
301.16577	100.0
302.16754	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	303.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	3.6
59.01240	11.1
59.76508	2.9
71.01230	9.9
71.02984	3.5
71.03331	6.9
72.99178	84.6
73.02797	9.8
75.00740	4.4
81.03290	3.0
85.02841	16.4
85.30428	3.0
85.99976	3.1
87.00751	51.6
93.03348	15.2
93.16434	2.7
95.01263	7.6
95.04899	3.8
97.06454	4.1
99.00713	7.3
99.04343	3.2
100.98649	4.3
103.00247	50.9
107.04919	26.4
109.02830	30.5
111.04396	16.4
115.00243	4.4
119.04893	10.1
121.02843	12.4
121.06448	4.7
123.00748	6.4
123.04414	25.6
125.02319	5.0
125.05968	18.1
131.04869	3.0
133.02791	4.5
135.04424	27.1
135.81804	2.7
137.02307	5.7
137.05981	19.3
139.00253	6.6
139.03891	9.6
141.01834	4.8
141.05469	5.3
146.99258	20.0
147.04395	10.0
149.05949	9.3
151.03935	5.0
163.03857	9.0
165.05470	52.6
167.03540	3.6
167.06996	2.9
175.02399	6.1
175.03836	3.5
179.03389	9.1
181.04973	5.8
183.06525	8.4
193.05046	5.8
195.06563	9.3
197.04442	3.9
202.97079	3.3
209.04396	4.7
211.06026	4.3
227.05583	8.6
245.48283	2.7
255.04956	8.9
270.03775	22.2
285.06238	14.5
290.08664	3.1
303.07187	100.0
304.07309	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	301.1596
Annotation	alpha-hydroxy Farnesyl Phosphonic Acid
Peak:m/z	Relative Intensity
55.86875	0.5
59.01260	0.7
60.00398	0.4
63.02272	0.8
64.46312	0.6
65.00190	1.1
83.01227	0.7
98.20522	1.6
100.86568	0.5
107.01260	2.7
121.02840	1.8
123.00789	2.0
138.03122	1.4
138.40334	0.5
151.00267	7.3
169.01410	0.6
178.99768	3.0
184.46404	0.6
188.03537	0.5
217.07184	3.0
229.37901	0.5
285.13452	1.3
286.13605	2.2
300.99890	5.2
301.03516	14.5
301.15961	100.0
302.03775	1.1
302.16357	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	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17780	0.2
57.71743	0.2
59.01251	0.7
62.57413	0.2
69.92418	0.2
71.38602	0.4
74.77847	0.2
85.00759	0.2
89.02340	0.5
91.03876	1.1
105.66193	0.2
107.01262	0.3
111.08051	0.4
121.02824	0.2
150.17105	0.2
151.00285	0.4
165.12769	3.4
183.13826	100.0
184.14162	4.3
195.06595	0.2
209.11824	2.2
227.12842	4.9
228.13231	0.3
299.77188	0.2
301.00180	0.4
301.03503	0.7
301.13092	0.4
301.16562	8.3
302.16718	0.6
308.96869	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.108
Annotation	Diffutidin
Peak:m/z	Relative Intensity
50.35199	0.6
59.01236	1.4
59.35966	0.6
61.98698	0.8
63.02251	1.0
65.00192	1.9
71.99889	0.6
78.95772	1.9
79.01757	1.6
83.01246	1.8
93.03333	16.5
95.01247	1.1
95.04883	0.9
105.03370	0.8
105.06220	0.7
107.01257	2.4
107.04891	1.8
109.02827	8.5
111.04410	1.3
121.02879	3.2
123.00769	2.1
123.04399	14.2
133.02853	14.5
135.00696	1.5
135.04395	1.5
137.02338	38.9
138.03000	1.4
145.02809	0.6
149.02370	1.5
151.00262	6.9
151.03914	11.8
152.04697	34.1
153.05077	1.0
163.00269	12.3
164.01051	3.5
165.01865	5.1
166.02559	1.2
167.07043	51.2
168.07364	2.0
169.01375	1.0
173.02399	0.6
177.01782	1.2
178.99828	2.0
179.01813	1.3
179.03407	27.1
180.04178	1.1
189.05513	0.7
192.04173	0.7
211.03943	1.0
212.04683	3.9
225.05507	4.3
226.06178	0.9
227.07080	2.1
229.01276	0.7
229.53569	1.1
239.03436	8.6
243.06606	5.5
253.05035	9.0
254.05815	35.4
255.06181	2.2
259.31036	0.6
268.07315	2.4
269.08173	76.2
270.08530	5.6
271.06100	51.7
272.06442	2.7
273.03983	0.9
283.09744	1.5
283.99557	0.8
286.08374	3.2
299.98904	0.9
300.99854	14.6
301.03488	10.8
301.10785	100.0
302.11130	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0717
Annotation	5,7,3',5'-Tetrahydroxy-6-methylflavanone
Peak:m/z	Relative Intensity
50.19363	0.6
55.01761	1.6
59.01266	1.0
59.87534	0.6
61.03080	0.7
61.03351	0.6
65.00187	1.6
69.32440	6.6
71.04891	24.2
75.43210	0.6
77.03836	1.3
79.01762	6.9
83.01254	1.4
93.03327	3.1
95.04916	3.5
96.28636	0.7
97.02229	1.2
97.02824	13.2
97.03396	1.1
107.04932	1.6
108.02022	0.8
109.02873	0.9
117.03329	1.2
119.04890	0.8
121.02847	8.8
123.00769	1.8
123.04413	4.6
125.02327	1.0
131.04866	1.5
133.02849	4.0
134.03676	1.2
135.04414	2.2
137.02357	1.7
138.03117	3.2
139.03909	100.0
140.04254	2.1
145.02872	2.7
147.04411	0.8
149.02357	1.2
149.05983	2.4
150.03134	0.8
151.00262	3.9
151.03865	1.0
157.02872	2.4
157.06458	1.1
159.04449	1.6
161.02351	0.7
163.03860	0.9
165.01859	9.2
166.02618	8.8
167.03401	2.5
169.06508	0.7
171.08023	1.7
173.02379	2.3
173.05983	1.5
177.05482	9.2
178.99767	0.9
179.03412	1.0
183.02882	1.1
185.02338	3.4
186.02927	0.6
187.07565	2.0
189.01765	0.9
191.07068	1.0
193.01347	7.3
200.04741	0.8
201.01877	2.8
201.05525	3.9
213.09241	3.5
214.06317	0.7
215.07043	7.9
217.01416	0.9
226.99841	0.7
227.07114	1.2
229.01343	4.8
229.05281	0.7
229.08624	4.4
245.00883	1.5
255.06566	1.7
257.00937	1.9
257.08154	15.0
272.02960	0.8
273.07660	64.3
274.08008	4.2
283.06030	3.4
283.99564	3.5
299.99017	3.8
300.99908	83.8
301.03345	5.3
301.07095	47.1
302.00266	7.1
302.07599	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	301.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.9
59.01232	1.1
61.34039	0.6
63.26316	0.7
65.00198	1.6
69.49483	3.2
69.49890	2.1
71.04888	25.8
77.03827	2.9
79.01761	5.1
83.01262	1.4
93.03340	2.3
95.04903	4.0
97.02823	13.3
98.03044	0.6
98.19865	1.3
101.40939	0.7
107.04826	1.4
109.02822	1.0
111.00733	1.3
117.03342	0.8
119.04945	1.0
121.02834	6.9
123.00761	2.0
123.04418	4.6
125.02339	1.2
131.04938	2.0
133.02861	4.5
134.03607	1.4
135.04411	2.6
137.02362	1.4
138.03096	3.5
139.03903	100.0
140.04248	2.5
141.27603	0.7
145.02843	1.9
147.04396	0.7
149.02345	1.6
149.05975	1.3
150.03099	0.7
151.00229	3.5
151.03879	1.1
156.05788	1.2
157.06520	1.5
159.04436	1.8
163.03882	1.2
164.04713	0.8
165.01819	11.7
166.02612	10.1
167.03342	2.4
168.27353	0.7
169.01376	1.4
171.08118	0.7
172.07826	0.8
173.02429	1.2
173.06029	2.0
177.05498	8.3
178.99792	0.9
179.03400	1.7
183.02908	1.0
187.07573	2.5
193.01323	7.7
201.01843	1.8
201.05467	3.5
213.09210	4.4
215.07085	8.4
215.62674	0.7
216.07399	0.9
227.07112	1.6
229.01355	1.9
229.08656	4.3
233.08194	1.1
255.06593	1.8
257.08170	19.5
258.08591	0.8
273.07660	78.4
274.07977	5.6
283.06198	3.7
283.99603	1.9
299.99310	1.6
300.99936	35.8
301.03632	3.9
301.07123	63.0
302.00284	2.6
302.07520	3.8
309.78046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.3
63.02261	0.4
63.09225	0.4
63.81352	0.4
65.00195	3.6
69.51065	1.7
69.51485	1.8
71.04887	24.9
77.03834	3.9
79.01762	9.8
83.01261	1.8
93.03325	3.6
95.01261	0.6
95.04896	3.6
97.02824	15.8
98.03188	0.5
106.04126	0.5
107.01295	1.4
107.04906	2.0
108.02030	0.6
109.02827	1.7
117.03355	0.8
119.04903	1.0
121.02837	11.0
122.03610	0.6
123.00729	0.6
123.04411	5.2
125.02312	1.0
130.04210	0.6
131.04904	2.0
133.02864	3.3
134.03619	1.9
135.04410	6.5
137.02345	1.7
138.03120	2.5
139.03905	100.0
140.04265	2.9
143.04938	0.7
143.57265	0.5
145.02875	0.6
149.02332	2.3
151.00264	4.8
151.03874	1.4
156.05731	0.6
157.06508	1.1
158.03583	1.0
159.04398	1.9
161.02208	0.5
163.03979	0.6
164.04655	0.9
165.01825	15.8
165.03220	0.9
166.02620	11.7
167.03351	3.2
169.01231	0.5
169.06470	0.6
170.02155	0.6
171.04512	0.9
171.08043	0.8
173.05975	1.7
175.03944	0.6
176.01089	0.6
177.01717	0.5
177.05487	8.8
178.99834	2.7
179.03384	3.5
183.02869	1.3
183.08035	0.7
187.07559	2.3
190.02611	0.5
191.07054	1.0
193.01357	8.3
197.05998	0.5
198.01657	0.7
198.06790	1.0
201.05489	3.9
203.03441	1.0
211.07478	0.6
213.09138	3.3
215.07080	8.3
227.06993	2.2
229.04993	0.5
229.08629	5.0
233.08081	0.8
240.90466	0.5
245.04515	0.8
255.06610	1.9
257.08173	15.9
258.08395	0.9
273.07660	72.9
274.07938	4.4
283.06134	3.8
300.99811	5.1
301.03458	7.4
301.07108	55.5
301.09912	0.9
301.20132	1.2
302.04572	0.5
302.07608	3.8
318.31631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56673	1.9
59.01246	17.8
60.01927	2.1
71.01229	1.9
71.26501	3.0
71.26830	3.4
71.85078	1.7
72.99177	41.2
80.51237	2.1
87.00758	3.6
92.76942	1.8
94.05778	1.8
95.01303	2.1
99.00714	3.0
103.00249	100.0
107.04870	4.4
109.02831	24.4
121.02858	10.1
123.00768	5.5
123.04411	43.5
124.01553	2.0
125.02305	6.4
134.19833	1.7
135.04433	31.2
137.02341	9.7
137.05977	5.2
138.03108	4.7
139.00276	1.8
139.03908	19.3
139.40315	1.6
139.89441	1.7
145.02873	2.3
146.99249	5.6
147.04402	4.0
149.02356	2.4
149.06059	3.1
151.03920	5.1
153.05473	6.0
159.04384	4.0
162.03113	7.6
163.03903	21.2
165.05505	5.0
167.03433	2.1
169.01335	7.3
175.03909	11.0
177.05527	12.6
181.04956	9.9
191.03453	4.5
193.04985	9.8
195.02885	6.0
203.03380	6.4
206.02057	2.7
207.02931	2.8
209.04506	4.0
211.06064	3.8
221.04434	3.3
225.03999	2.7
253.03613	2.9
271.04599	19.9
283.04559	87.9
284.04919	6.3
301.02136	3.6
301.05518	27.8
302.05939	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	301.0716
Annotation	Folerogenin
Peak:m/z	Relative Intensity
51.13382	0.3
55.01749	0.5
59.23495	0.3
63.02277	0.7
65.00193	5.2
69.56815	1.9
71.04890	0.5
77.03826	2.1
79.01762	13.3
83.01263	0.6
88.78761	0.3
93.03348	0.6
95.01250	0.4
97.02815	2.7
98.20515	0.5
107.01258	1.9
107.04913	0.6
109.02840	2.9
117.03300	0.4
121.02839	16.2
123.00767	0.8
134.03615	1.9
135.04410	100.0
136.04749	3.6
137.02362	0.6
138.03050	0.2
139.03906	3.7
140.04326	0.3
149.02440	0.4
151.00273	5.8
159.93060	0.2
161.02319	1.1
163.03931	0.3
165.01837	76.4
166.02191	2.8
169.01350	0.6
174.13376	0.2
178.99814	1.9
179.03429	0.8
183.02922	2.7
185.02361	0.5
191.03522	0.5
201.01859	0.3
229.01355	0.6
245.04567	0.6
257.04874	0.3
273.03983	0.8
283.06018	0.3
283.99597	0.6
286.08914	0.2
299.99017	0.3
300.99860	7.8
301.03494	9.2
301.07138	13.8
301.16562	0.3
302.00235	0.7
302.03851	0.8
302.07495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94040	0.5
54.00982	0.5
58.66841	0.6
59.14589	0.5
63.02264	5.8
65.00192	12.7
69.47530	2.6
69.47953	1.5
73.39595	0.5
82.32984	0.7
83.01254	7.4
85.68951	0.5
91.01779	0.6
93.03330	6.6
95.01258	2.1
96.95905	0.6
97.02866	0.6
98.20580	1.0
107.01265	18.2
108.02043	1.0
109.02837	5.5
111.00741	0.8
117.03341	0.7
119.01257	1.0
121.02836	16.2
123.00762	2.0
124.01566	1.0
125.02342	1.2
133.02829	1.0
135.00679	0.7
137.02333	3.5
139.00272	0.5
139.03883	2.2
145.02864	0.8
148.01440	0.7
149.02386	2.7
151.00269	47.3
152.00876	2.1
159.04410	1.8
161.02312	1.6
163.00206	3.3
163.03792	0.9
164.01021	1.5
165.01830	10.4
165.05547	0.6
169.01350	4.2
171.04417	0.9
175.03882	1.2
178.99770	19.7
181.04967	0.9
183.04393	1.9
185.02498	0.5
185.05910	0.7
187.03918	1.9
192.00549	1.0
193.01311	1.0
199.04002	1.2
201.05409	1.7
203.03503	0.7
206.04100	0.6
206.99165	0.7
208.00061	0.9
211.03922	2.2
215.03496	1.0
227.03410	3.4
228.03966	0.9
229.05016	1.9
239.03477	1.0
240.04147	0.7
243.02826	0.6
244.03299	1.0
245.04430	4.9
253.04984	1.2
255.02928	4.6
255.06590	1.2
256.03342	3.6
257.04465	2.0
270.08994	1.6
271.02417	1.3
271.05939	0.6
272.02835	5.5
273.01108	0.7
273.04065	5.7
283.02426	1.6
301.03473	100.0
302.03769	6.1
313.98572	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	0.5
63.02265	7.7
65.00194	12.1
65.78133	0.5
67.95808	0.4
68.49123	0.5
70.45406	1.5
70.45783	0.4
72.99161	0.7
81.03365	0.5
83.01258	7.5
89.89326	0.5
93.03334	5.9
95.01226	0.5
96.95873	2.6
98.19852	0.5
107.01267	21.0
107.04889	0.9
108.02096	0.6
109.02843	6.9
119.01250	1.0
119.04903	0.6
121.02844	18.2
124.01550	0.6
125.02336	0.9
135.04411	2.7
137.02316	1.2
139.03908	2.9
143.04968	0.5
145.02843	0.7
147.04396	0.8
148.01572	0.7
149.02344	3.2
150.03174	0.6
151.00269	55.7
152.00653	1.7
159.04407	1.8
161.02292	1.0
163.00241	4.1
163.03880	3.4
164.00998	1.4
165.01863	2.5
165.05461	3.0
167.04927	0.5
169.01320	5.7
173.02318	0.6
175.03926	1.2
178.99783	21.7
180.00153	1.2
181.05040	4.5
183.04436	1.2
185.06012	0.5
187.03917	1.8
192.00647	0.8
193.01273	1.3
199.03914	1.0
201.05479	1.4
203.03349	0.9
211.03915	2.6
212.04506	0.8
213.05328	0.6
225.05511	1.3
227.03403	2.0
228.03909	0.8
229.05023	2.9
240.04277	1.9
240.07881	0.8
241.04948	0.7
242.05934	0.7
243.02904	0.7
244.03345	1.7
245.04562	3.0
253.05042	1.0
255.02895	3.5
255.06618	4.6
256.03345	3.5
256.07278	0.8
257.04413	1.8
268.07516	0.5
270.08960	4.6
271.02432	1.6
271.06143	1.1
271.09674	1.6
272.02792	6.6
273.03906	3.6
283.02466	1.8
286.08517	0.8
299.02115	0.8
299.99088	0.7
300.99963	6.4
301.03467	100.0
301.10788	2.6
302.03775	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	301.0353
Annotation	Quercetin
Peak:m/z	Relative Intensity
58.57457	0.4
63.02266	7.0
63.21449	0.4
65.00192	13.1
70.15130	0.5
71.04883	0.5
83.01254	8.2
93.03350	3.4
95.01264	0.7
97.02827	0.7
98.19760	1.0
107.01263	19.9
108.01561	0.6
109.02811	2.4
121.02840	18.9
124.01590	0.6
125.02364	0.7
133.02846	0.5
139.03893	3.7
149.02350	2.9
151.00267	59.3
152.00626	1.8
158.03661	0.5
159.04375	1.0
159.71980	0.4
161.02333	0.7
163.00275	1.0
163.03914	1.1
164.01068	1.5
165.01875	1.1
169.01355	3.4
178.99771	22.4
180.00035	0.5
185.06044	0.4
187.03922	0.8
193.01381	1.3
196.00111	0.5
199.03932	0.4
201.05540	1.4
205.05080	0.7
211.03954	0.9
227.03470	1.0
229.04985	1.7
245.04524	1.9
255.02991	1.2
257.04532	1.1
271.02328	0.6
273.03986	3.7
273.07666	1.5
299.99353	0.5
301.03506	100.0
302.03882	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	301.0352
Annotation	Tan 931
Peak:m/z	Relative Intensity
63.02262	1.4
65.00184	2.2
66.50705	0.3
67.01761	0.4
69.03318	0.7
69.46310	1.0
69.46730	1.3
74.41377	0.2
76.03643	0.2
76.65966	0.2
77.03841	0.9
79.01737	0.3
83.01254	3.4
93.03323	3.6
95.01262	0.5
97.02826	3.9
107.01276	4.5
108.02105	0.3
109.02838	1.3
121.02838	9.3
122.03189	0.3
123.00787	1.0
125.02328	0.9
137.02336	25.0
138.02725	0.5
139.03938	0.6
141.01859	0.3
149.02370	0.6
151.00272	10.4
152.00945	0.4
161.02364	0.5
163.00333	0.5
164.00958	0.3
165.01837	100.0
166.02187	3.4
169.01317	1.6
178.99771	4.3
185.02370	0.5
201.05493	0.3
211.03784	0.3
229.04872	0.5
241.03583	0.5
245.04578	0.7
249.64137	0.3
255.03001	0.5
256.03510	0.3
257.04398	0.5
262.09723	0.3
272.02798	0.4
273.04037	1.1
283.99945	0.3
291.53998	0.3
300.99887	6.0
301.03525	19.3
301.16800	0.4
301.20230	0.4
302.00473	0.4
302.03732	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	300.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00229	0.6
59.01254	1.8
68.01279	2.8
71.01250	1.1
71.44221	0.3
88.03910	0.9
95.04892	0.4
109.01605	0.3
111.32349	0.3
119.04911	0.4
122.02363	0.5
122.05989	0.5
123.00709	0.3
123.03144	5.9
124.03928	0.7
124.07579	0.7
132.02948	1.5
136.07578	0.5
137.04718	0.9
138.05501	100.0
139.05013	0.2
139.05881	2.7
139.97476	0.2
140.01088	0.3
140.07080	0.3
147.04367	0.3
149.02310	0.3
152.07091	1.5
166.08603	0.6
167.05801	2.1
168.06488	0.5
180.06584	5.8
181.06894	0.3
201.98470	0.2
210.07605	0.4
215.03412	0.3
240.08717	0.3
300.10873	13.9
301.00043	0.6
301.03461	0.4
301.07278	0.2
301.11209	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0353
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
63.01964	0.7
63.02267	7.7
65.00192	14.6
71.07030	0.8
71.07355	0.8
75.44524	0.5
83.01254	9.1
93.03330	6.9
95.01246	1.2
104.83170	0.6
107.01273	20.6
109.02840	3.9
111.00762	0.6
117.03349	0.7
121.02842	15.6
123.00803	2.4
124.01532	1.0
125.02316	1.9
135.00757	1.1
135.04366	0.8
137.02296	0.8
139.03908	2.8
145.02847	1.0
147.04416	1.0
149.02330	2.8
151.00270	57.0
152.00865	2.0
153.01816	0.8
159.04390	1.7
161.02289	1.8
163.00307	3.5
163.03903	1.1
164.00980	0.7
165.01845	0.8
169.01324	5.2
173.02295	0.8
173.05927	0.6
178.99776	22.2
180.00224	0.8
185.02299	0.8
185.05971	1.1
187.03859	1.3
189.05432	0.5
191.03362	0.5
193.01276	1.2
199.03896	0.9
201.01904	0.6
201.05447	2.1
205.04915	0.6
206.99231	1.2
207.99982	0.6
211.03818	1.2
227.03372	1.0
229.04944	2.2
243.02945	0.7
244.03287	0.9
245.00815	0.8
245.04520	6.4
255.02840	1.8
256.03348	1.2
257.04468	1.7
272.02795	1.9
273.04010	9.5
283.02457	1.1
283.99487	0.8
286.08289	0.7
299.99017	1.0
300.99847	13.9
301.03452	100.0
302.00415	1.0
302.03775	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	299.2014
Annotation	Retinoic acid
Peak:m/z	Relative Intensity
59.01247	1.4
69.43594	1.3
88.19144	0.1
119.04892	0.4
125.09583	0.2
135.04453	0.2
138.05486	0.3
149.55020	0.2
174.99124	0.3
179.03369	0.3
203.69122	0.2
217.00192	1.4
284.03207	0.5
299.20132	100.0
300.20477	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	300.0721
Annotation	4-Nitrophenol-alpha-D-galactopyranoside
Peak:m/z	Relative Intensity
58.00459	1.4
59.01252	2.2
59.59719	1.3
69.64516	9.4
71.01241	1.8
72.99171	42.2
83.14788	1.2
91.05393	1.6
93.03382	1.5
95.04882	3.9
98.19859	1.9
103.00231	6.5
107.04900	2.7
109.06442	3.2
116.04942	1.9
117.03321	2.1
119.04933	1.6
120.04398	2.1
121.51554	1.2
123.04433	1.6
131.04912	3.2
133.06487	4.1
134.05992	10.5
135.04416	2.0
136.03922	6.1
138.05495	3.9
144.04436	11.9
146.06017	1.8
147.04376	3.5
149.05978	11.6
150.06351	1.6
152.07103	3.1
158.06007	2.8
159.04294	1.7
160.03920	9.6
162.05499	2.6
163.03964	2.4
165.05455	5.9
166.05026	4.5
167.07021	3.8
174.05505	10.2
176.07074	4.9
177.05437	4.3
190.04956	2.4
192.06580	25.7
206.04507	9.3
208.06084	3.9
210.07637	10.5
220.06143	9.1
224.05617	6.1
238.07130	4.2
264.05133	1.8
282.06149	30.5
283.04303	1.7
300.07214	100.0
301.07471	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61259	0.4
55.01758	1.2
59.01250	0.9
65.00184	0.4
69.45687	3.3
70.08582	0.4
79.01760	28.4
80.02094	0.5
87.89375	0.4
91.05403	7.0
93.03329	9.5
95.83688	0.4
99.53970	0.4
106.02209	0.4
107.04905	1.5
111.04398	11.3
119.04910	75.8
120.05263	1.8
121.02869	1.2
121.06463	0.6
123.04389	2.1
135.04410	31.7
136.04724	1.0
143.04976	0.6
144.94781	0.4
145.02861	2.2
149.02347	0.8
150.03177	0.4
151.03909	5.0
153.05472	1.1
161.06006	0.5
163.04002	0.5
164.04700	0.5
165.05499	2.4
177.01804	0.4
178.02621	0.6
179.03410	49.7
180.03741	1.8
193.03281	0.7
193.04955	7.0
197.04446	3.3
199.03966	0.5
199.07542	0.8
205.04982	6.9
206.05321	0.5
213.09045	0.5
217.00255	1.1
229.08746	0.8
230.56995	0.4
233.51607	0.4
257.08182	1.0
271.02457	2.0
273.15048	0.4
279.35464	0.4
299.02435	3.6
299.09207	100.0
300.02573	0.8
300.09540	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	299.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02256	0.4
55.01746	1.7
69.42134	2.0
79.01762	34.9
80.02100	0.6
91.05403	8.0
93.03329	11.8
94.03682	0.3
97.02831	0.4
107.04928	1.2
111.04395	13.7
112.04736	0.4
117.03370	0.6
119.04910	87.5
120.05241	3.2
121.02832	0.8
121.06469	0.4
123.04420	2.5
135.04408	36.0
136.04782	1.1
137.02293	0.4
137.05933	0.4
140.46100	0.3
143.04919	0.4
145.02838	2.5
147.04388	0.4
149.02319	0.3
149.05952	0.4
151.03900	6.2
153.05478	1.4
157.06459	0.4
161.05992	0.9
163.03922	0.5
164.04681	0.9
165.05484	3.0
177.01782	0.5
179.03410	56.1
180.03746	2.1
187.03926	0.8
192.04128	0.3
193.04974	8.7
194.05403	0.3
197.04488	3.6
199.07642	1.4
205.04994	6.7
206.05249	0.3
213.09085	0.4
229.08597	0.9
255.10156	0.5
257.08170	1.1
271.02628	0.3
279.47156	0.3
281.08118	0.4
299.09213	100.0
300.09570	7.5
315.53671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
55.01754	0.4
59.01251	0.4
69.70008	2.1
71.01244	2.3
73.02812	0.5
77.60236	0.3
78.95761	1.0
85.02818	1.1
87.01420	0.3
93.03332	57.8
94.03620	1.5
95.01231	0.3
96.96835	2.6
101.02303	0.8
113.02328	0.5
119.49719	0.3
130.37915	0.3
137.02336	100.0
138.02689	3.2
138.05502	4.4
155.55780	0.3
161.04393	0.3
173.66386	0.3
253.76338	0.4
299.07684	0.7
300.07523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0924
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
51.02319	0.2
51.31456	0.2
51.48873	0.3
55.01767	0.9
59.01242	0.8
68.99677	0.3
70.45346	0.9
76.52722	0.3
79.01763	27.1
80.02100	0.6
88.68057	0.2
91.05407	6.8
93.03329	9.1
94.03653	0.5
97.02821	0.3
106.33012	0.3
107.04899	1.3
111.04398	9.1
117.03347	0.5
119.04914	72.8
120.05253	2.1
121.02832	0.9
123.04426	2.2
135.04414	30.3
136.04774	0.9
143.04961	0.4
145.02850	2.4
149.02330	0.7
149.05991	0.4
151.03923	5.4
153.05476	1.0
161.06018	0.6
164.04749	0.6
165.05489	2.4
174.99161	0.3
177.01929	0.4
179.03424	48.2
180.03746	2.0
193.05002	6.4
194.05382	0.3
196.52582	0.2
197.04495	2.8
199.07515	0.6
205.05009	6.2
206.05174	0.3
217.00221	0.8
229.08661	0.6
245.66129	0.3
253.08804	0.3
255.10280	0.5
257.08142	1.0
281.08200	0.4
299.09225	100.0
300.09564	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	299.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02443	1.0
56.06176	1.1
59.01250	17.6
63.02259	1.6
69.49538	6.9
69.49944	1.8
77.93064	1.2
79.01771	5.6
91.42606	1.1
93.03331	2.2
107.01270	2.1
107.04918	2.5
111.04381	2.7
119.04911	19.6
127.47944	1.0
134.03625	1.8
135.04395	6.1
138.05507	1.6
151.00240	2.4
174.99156	5.7
175.54747	1.2
179.03432	9.5
197.04422	1.0
199.03979	1.9
217.00232	20.2
227.03468	4.7
243.03011	1.8
255.02910	2.4
256.03754	23.6
270.98834	2.2
271.02448	6.9
271.04984	1.3
284.03265	100.0
285.03601	7.4
298.98550	2.6
299.02097	8.4
299.05585	81.0
299.09219	21.2
299.18817	1.6
299.25735	2.8
299.99265	1.4
300.02631	2.6
300.05899	3.9
300.09232	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	299.0193
Annotation	Isodemethylwedelolactone
Peak:m/z	Relative Intensity
63.02266	5.1
65.00190	14.6
71.60139	0.4
83.01250	6.5
89.00195	4.2
93.03316	2.1
94.03651	0.6
95.01283	0.9
107.01263	22.0
110.00008	1.0
115.05428	0.6
117.03342	1.3
119.04919	0.7
123.04404	2.1
129.03300	0.6
131.04910	0.6
133.02867	2.4
134.70294	0.4
137.02344	5.6
143.04913	2.4
145.02859	1.6
147.04395	1.2
151.00266	100.0
152.00577	3.8
155.04886	2.2
155.99635	0.4
157.02922	0.7
159.04434	1.8
161.02272	0.9
164.98192	0.5
165.98976	1.3
169.01340	1.2
171.04410	4.0
173.02394	1.3
175.03888	0.7
178.99773	69.9
180.00148	2.3
183.04445	2.5
185.02339	1.0
187.03967	2.0
198.03047	0.6
199.03905	5.0
201.01909	1.1
203.03400	1.8
211.03874	0.6
215.03447	4.0
226.02739	0.6
227.03444	4.8
229.50648	0.6
231.02846	3.4
243.02971	4.8
244.03328	0.6
255.02930	4.7
271.02460	20.1
272.02808	1.2
299.01965	22.9
300.02567	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	299.056
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01233	0.6
63.02239	1.0
65.00192	0.8
67.92721	0.2
69.36214	2.8
70.68587	0.3
72.85046	0.4
73.84248	0.3
75.90495	0.3
83.01250	0.8
104.02530	0.5
107.01263	2.0
125.02306	0.3
132.02032	1.2
133.02814	0.7
134.03590	0.9
148.01515	0.3
149.02292	0.5
149.99394	0.4
151.00261	3.6
174.99130	0.4
183.04446	0.4
187.03773	0.3
188.04671	0.5
199.03946	0.6
200.04729	0.9
211.03903	1.0
212.04591	0.3
215.03130	0.3
217.00217	1.3
223.76794	0.3
227.03412	3.3
228.04140	0.5
239.03477	0.5
255.02921	2.0
256.03729	32.7
257.04074	1.8
271.02472	0.5
283.02457	0.8
284.03235	100.0
285.03549	6.2
299.05582	71.9
300.05914	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	297.1187
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
51.95454	1.8
56.00011	2.0
58.00454	3.4
59.01249	100.0
60.01583	2.4
71.01251	62.7
71.56084	3.2
72.99180	6.7
73.02825	7.2
78.22677	1.9
79.14948	1.8
83.01240	4.5
85.02834	19.4
87.00743	4.6
89.02312	77.3
95.01234	3.6
99.00720	2.6
101.02319	50.2
113.02323	28.8
119.03374	36.3
131.03363	3.6
135.06534	30.8
143.03400	8.3
149.04433	3.7
150.05586	2.1
157.69273	2.1
161.04453	16.4
177.78654	2.2
179.05502	17.3
237.09810	10.2
297.11896	52.3
297.24258	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	297.0978
Annotation	Picein
Peak:m/z	Relative Intensity
59.01239	0.5
69.33534	1.5
71.01245	0.3
88.02364	0.2
89.02334	0.2
93.03336	0.1
94.91027	0.2
98.19798	0.3
107.04906	0.4
134.03596	1.6
135.04407	100.0
136.04745	3.8
145.48441	0.2
175.44928	0.2
179.05518	0.2
297.09839	1.6
297.24399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	1.4
60.79940	0.2
70.45456	0.2
70.45805	0.4
70.73103	0.1
71.01256	0.8
71.82530	0.1
74.88517	0.1
85.02820	0.3
87.04449	0.1
89.02323	0.7
101.02320	0.3
107.04895	0.4
113.02328	0.3
117.03228	0.2
119.03367	0.3
119.04831	0.2
125.48406	0.1
134.03635	1.7
135.04411	100.0
136.04747	3.5
145.02855	0.2
149.02371	0.3
161.04449	0.2
177.45525	0.1
243.54062	0.1
297.04028	0.5
297.09384	1.1
297.17447	0.2
297.24301	1.0
298.24734	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	297.0767
Annotation	5,4'-DIMETHOXY-7-HYDROXYFLAVONE
Peak:m/z	Relative Intensity
59.01249	7.0
64.71354	0.5
71.01239	3.0
71.56454	0.6
73.02828	0.5
79.01817	0.5
85.02844	1.0
89.02306	3.1
101.02308	2.7
108.02082	0.6
113.02303	1.3
117.03332	5.1
119.01294	0.6
119.03438	0.9
121.02866	1.9
134.03592	0.7
135.00749	2.1
135.06511	1.7
161.02341	2.5
161.04472	1.2
162.03111	0.8
163.00301	1.7
164.01010	1.2
165.01845	2.5
185.06042	1.2
186.03188	1.5
209.06139	0.7
211.03947	0.8
213.05473	0.6
223.04034	0.5
225.05545	1.6
226.06331	1.3
237.09685	0.5
238.06311	0.7
239.03526	1.0
245.81195	0.5
251.03192	0.5
253.05013	5.5
254.05786	2.3
281.04550	16.5
282.05316	100.0
283.05695	6.0
297.07657	91.4
297.11417	2.0
297.20883	1.1
297.24295	7.2
298.08008	5.1
311.34338	0.6
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	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.78109	0.7
57.03320	5.6
59.01252	4.5
68.02415	3.9
69.03294	0.7
71.01241	2.8
89.02288	1.1
96.95853	1.5
97.06460	1.0
98.19775	1.7
101.02352	1.1
112.31176	0.6
113.09603	19.8
118.24376	0.6
121.10128	4.1
131.03391	0.7
139.11174	1.4
149.09615	1.3
155.10629	0.7
167.10648	2.2
171.10173	9.0
177.12679	1.1
179.10663	2.2
183.10152	0.7
185.11697	1.3
193.15869	1.3
195.13809	3.5
196.14084	0.7
215.83701	0.7
220.14622	2.4
221.15431	5.9
231.21181	1.0
235.16776	0.9
236.10471	3.7
249.22217	2.3
275.20172	15.6
276.20456	0.9
293.08951	3.6
293.21219	100.0
294.21594	8.1
297.50079	0.6
305.42603	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
50.55354	0.3
53.60218	0.3
53.99555	0.4
57.03311	0.9
59.01248	4.3
62.89701	0.3
71.01246	1.1
83.04893	0.6
98.19783	1.3
98.22036	0.4
101.02322	0.5
108.74413	0.4
113.09628	1.8
179.14319	1.3
195.13820	18.8
196.14142	0.7
229.97765	0.4
250.57014	0.4
277.21707	18.1
278.22101	1.5
295.22754	100.0
296.19812	0.5
296.23083	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	297.0768
Annotation	3-HYDROXY-3',4'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
55.01762	0.3
59.01253	1.7
62.59913	0.2
64.95106	0.2
69.30039	1.8
69.30444	0.4
71.01243	0.8
73.33547	0.2
77.93601	0.2
79.01765	4.0
84.02847	0.2
85.02834	0.3
89.02323	0.8
91.05400	1.0
93.03323	0.4
101.02303	0.5
111.04417	1.7
111.18057	0.2
113.02311	0.5
117.03349	24.2
118.03678	0.9
119.03364	0.4
119.04895	1.0
121.02849	0.3
123.04391	0.4
124.58545	0.2
133.06485	0.5
134.03687	0.5
135.04428	5.2
135.06560	0.3
149.02359	0.3
149.05994	2.4
151.03882	0.5
162.03154	1.2
175.03906	0.6
177.05496	4.8
177.07043	0.2
178.05804	0.2
178.56723	0.2
179.03426	5.2
197.04434	0.2
197.06042	0.6
207.08168	0.3
209.06030	0.5
209.09660	0.9
210.06741	0.2
211.07587	0.3
223.07622	0.3
225.09190	1.1
237.05559	0.7
238.06355	1.1
251.07034	0.5
253.08679	2.3
255.06599	2.2
269.08121	0.3
281.04800	0.2
282.05325	1.0
295.05951	0.6
297.07663	100.0
297.24271	1.2
298.08020	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	293.2122
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
58.37721	0.8
59.01252	1.3
61.31429	0.7
63.29993	0.7
71.01265	0.6
71.06576	1.8
169.97871	0.6
170.87062	0.6
179.14320	1.1
195.13844	16.0
196.14587	1.2
205.12410	0.7
211.13235	1.2
216.49455	0.6
223.13315	12.4
224.13815	1.4
228.13576	2.6
239.12978	0.9
256.13138	4.2
275.20163	9.9
276.20459	0.8
277.32477	0.7
293.21216	100.0
294.21597	7.6
309.92529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
59.01240	3.2
68.02397	3.7
69.03316	1.2
71.01251	2.1
71.25630	0.7
80.96873	0.9
83.04910	1.1
85.02808	1.1
89.02302	1.9
94.18871	0.8
95.04820	0.7
96.95882	36.4
101.39609	0.7
121.85535	0.7
124.09671	0.7
125.09541	1.1
139.11168	3.3
151.09822	0.7
153.12714	2.6
160.07809	0.8
191.17969	4.5
193.15909	1.8
210.86635	0.8
220.14600	3.4
221.15370	7.9
236.10509	5.9
247.20564	2.1
270.24609	0.8
272.18948	0.7
275.20175	1.4
293.08783	2.4
293.17865	26.5
293.21191	100.0
294.18161	2.6
294.21494	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	293.0879
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
52.72371	2.9
57.24290	2.8
58.00463	4.0
59.01246	80.5
68.02409	5.0
69.03339	10.6
69.47169	26.4
71.01252	76.0
72.99191	7.5
73.02814	30.1
81.03320	7.5
83.01278	6.9
85.02827	18.2
87.00743	2.8
88.08567	2.8
89.02312	100.0
93.03414	2.9
95.01283	6.6
97.02808	15.5
98.89223	2.7
99.00747	35.7
99.04336	3.0
100.88769	3.0
101.02331	34.5
113.02313	6.2
115.03893	12.6
121.02805	4.2
122.29768	3.0
125.02327	42.8
126.41251	3.4
131.03377	9.9
135.20944	2.6
137.02339	5.9
143.03410	8.7
149.04459	8.5
177.01871	6.3
178.02635	5.1
191.05562	15.7
225.18846	3.1
233.06717	14.3
237.32881	2.8
275.09222	4.8
293.10095	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	293.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15386	0.2
55.16305	0.3
57.11235	0.4
59.01229	0.4
66.05006	0.3
70.63367	0.8
71.01252	7.2
82.86314	0.2
86.29061	0.3
95.63079	0.3
127.07523	0.7
128.15004	0.2
140.48637	0.2
148.05217	1.4
164.08354	1.3
177.09123	5.6
178.09497	0.3
192.11482	7.1
193.12044	0.7
205.12288	7.6
206.12645	0.5
207.13789	1.5
217.08673	0.5
218.09375	2.6
220.14624	47.6
221.15399	100.0
222.15723	5.4
222.17697	0.5
235.13332	0.8
236.10486	70.4
237.10840	3.5
293.17618	7.4
293.21088	0.8
294.17792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43914	0.8
57.03325	1.6
59.01244	6.1
60.39701	0.8
61.30758	0.7
65.74919	0.8
66.70914	1.0
68.02401	9.8
68.98853	0.8
71.48222	1.2
77.06871	0.8
95.04874	1.4
107.04900	1.1
111.08033	13.9
121.02847	4.6
151.03874	2.0
167.10683	2.5
177.12738	2.0
179.10645	1.5
195.13835	9.9
209.04483	3.1
247.20651	3.4
273.18726	1.2
291.19641	100.0
292.19931	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0878
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
57.03300	3.0
58.00465	5.4
58.25680	2.2
59.01247	88.9
60.68240	2.1
63.24549	1.9
68.02399	9.3
69.03322	14.1
71.01249	100.0
71.86236	2.2
72.99178	6.4
73.02811	31.3
75.00733	3.7
79.95607	8.2
81.03327	8.3
83.01269	8.9
85.02822	20.2
87.00764	4.3
89.02314	98.8
95.01234	4.9
97.02824	19.5
98.62331	2.0
99.00751	40.1
101.02318	42.3
112.58207	1.9
112.97318	2.4
113.02302	7.6
115.03873	10.6
119.03372	2.6
125.02332	41.8
131.03397	13.5
134.03638	11.3
135.04381	2.4
143.03409	7.3
149.04436	7.9
161.04385	4.7
177.01865	2.7
178.02606	5.5
191.05539	9.8
203.05299	2.1
221.15378	3.6
229.73500	2.9
233.06680	12.4
239.09325	2.2
242.72470	2.2
293.08380	10.4
293.13669	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	291.1966
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
58.75582	0.2
59.01235	0.4
68.02397	1.7
70.59348	1.1
73.02815	59.4
74.03162	0.5
75.49673	0.3
81.68857	0.3
92.14253	0.3
100.18781	0.3
112.10662	0.3
121.02822	0.6
124.81786	0.3
151.03915	0.4
198.20845	0.3
209.04514	0.3
266.02371	0.3
275.83569	0.3
291.19650	100.0
292.19980	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50952	0.5
57.03325	2.5
59.01246	2.1
68.02410	6.0
69.03291	0.8
69.24426	0.5
83.04915	0.7
88.21822	0.6
93.06962	1.5
97.06458	2.4
98.20554	1.4
107.04962	0.7
111.08017	0.7
121.02807	2.5
121.10113	14.3
123.08060	1.1
125.09606	8.9
139.11185	0.5
141.12766	1.1
147.08044	1.0
151.03877	1.4
185.11743	16.4
197.11787	4.1
209.04375	0.8
209.11763	1.3
211.13319	2.1
223.13335	1.0
247.13408	1.0
247.20667	2.1
263.20270	0.9
273.18567	2.0
277.36685	0.6
289.18164	0.7
291.19650	100.0
292.20010	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	289.181
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
59.01242	0.7
71.04853	0.4
72.32325	0.4
100.39063	0.4
108.32719	0.4
109.02816	0.7
123.04420	0.7
125.02312	0.6
139.17548	0.4
149.98898	0.4
215.14317	0.7
225.07849	0.4
229.15884	2.9
229.45937	0.5
245.08139	0.6
257.15424	9.3
258.15762	0.5
289.07214	1.3
289.18091	100.0
290.18460	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	291.1964
Annotation	12-OPDA
Peak:m/z	Relative Intensity
56.94756	0.4
59.01231	1.6
68.02401	3.7
70.21091	0.8
70.21500	1.7
80.02531	0.5
80.96395	0.8
87.79464	0.4
95.26420	0.4
97.06458	0.8
121.02816	1.5
125.05941	0.5
148.08800	1.4
150.10390	1.3
151.03908	0.6
151.11198	0.8
163.11124	0.8
165.12749	21.5
166.13023	1.3
175.11165	0.9
176.11946	0.6
177.12733	0.8
191.14345	0.5
195.02087	0.6
247.18146	0.7
247.20630	10.1
273.18564	6.5
291.19632	100.0
292.19943	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	289.0714
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03314	2.4
65.19820	1.3
66.28879	1.2
69.92741	6.4
76.43204	1.2
81.03320	2.4
83.01253	4.5
93.03281	1.5
95.04893	6.0
97.02816	10.6
109.02821	33.7
113.33349	1.2
121.02832	5.2
121.19598	1.2
122.03600	2.1
123.04391	22.9
125.02325	27.5
132.22621	1.3
137.02312	15.1
138.03149	1.7
139.03888	5.4
146.03618	2.0
147.04318	1.6
149.02344	6.6
150.03139	2.0
151.03868	15.1
156.21056	1.3
159.04480	2.1
160.05168	1.7
161.02339	2.3
161.05951	8.7
162.03076	1.8
163.38457	1.3
164.01065	6.3
165.01794	7.4
167.03337	4.6
175.03908	2.9
175.07538	2.7
177.05408	1.6
179.03383	10.4
187.03900	7.6
188.04692	5.2
202.06256	4.0
203.07066	20.8
205.04984	15.1
212.04781	1.4
221.08104	8.0
227.07036	3.1
230.05827	1.8
231.02864	1.6
245.08136	39.1
246.08598	1.8
289.07153	100.0
290.07462	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	289.0719
Annotation	Corynether A
Peak:m/z	Relative Intensity
57.03326	5.7
59.01257	0.7
67.01753	0.7
69.03326	1.9
69.52076	0.4
69.52485	2.1
71.47404	0.3
80.02552	1.2
81.03327	6.2
83.01256	7.3
83.04893	0.3
93.03331	2.8
95.01259	2.0
95.04893	7.8
96.05203	0.3
97.02831	14.8
97.03474	0.7
98.03146	0.6
99.04399	1.1
105.03355	0.6
107.04897	1.0
108.02035	2.6
109.02834	51.1
110.03180	1.2
111.04407	0.7
113.02267	0.3
117.03344	0.9
121.02837	6.2
122.03622	2.6
123.00816	0.5
123.04408	37.0
124.01559	0.5
124.04745	0.9
125.02334	31.9
126.02689	0.6
131.04936	0.6
133.02834	0.8
135.04408	4.1
137.02341	18.0
138.03192	2.0
139.02960	0.6
139.03915	6.6
143.04893	0.6
145.02838	2.5
146.03653	3.2
147.04431	1.4
149.02338	7.8
149.05927	0.4
150.03143	2.1
151.03912	17.8
152.04234	0.4
154.02515	0.3
157.06480	1.0
158.03630	0.5
159.04425	5.3
160.05190	3.0
161.02380	1.7
161.05991	9.3
162.03145	3.5
162.06407	0.4
163.03911	2.4
164.01056	6.0
165.01837	6.6
166.02565	0.7
167.03427	3.9
167.59167	0.3
171.08047	0.3
173.05949	1.9
174.03122	1.2
174.06770	0.5
175.03885	3.8
175.07541	3.6
177.05510	1.1
179.03421	11.3
183.04413	0.5
184.05196	0.4
185.05991	2.3
187.03908	8.0
187.11247	0.3
188.04710	6.4
189.05220	0.5
199.07585	1.3
201.05528	2.0
202.06276	4.1
203.07071	22.3
204.07430	1.3
205.05000	15.2
206.05392	0.8
211.85219	0.3
212.04721	1.2
217.05043	0.4
217.08652	1.3
221.08107	6.8
222.08507	0.4
227.07062	3.7
229.05098	0.8
230.05804	1.4
231.02888	0.7
245.08154	36.1
246.08479	2.3
247.05952	1.9
271.05957	1.7
282.65414	0.3
289.07175	100.0
290.07532	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	289.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	15.2
65.03815	0.9
67.01743	1.1
69.03308	3.0
69.65469	1.6
69.65874	4.3
78.33382	0.9
80.02528	2.2
81.03323	12.6
83.00800	1.1
83.01257	12.9
93.03338	7.1
94.41349	0.7
95.01261	3.6
95.04903	16.9
96.02062	1.0
97.02826	28.4
98.19650	0.8
99.04405	0.9
105.03345	1.3
107.04892	1.0
108.02066	4.4
109.02831	100.0
110.03137	3.8
111.04386	1.7
117.03365	0.9
121.02833	13.8
122.03663	5.5
123.00777	1.5
123.04407	78.4
124.01564	0.8
124.04733	2.2
125.02334	55.2
126.02660	2.2
128.47240	0.7
131.04903	1.8
133.02798	2.2
135.04411	8.7
137.02342	31.4
138.03003	2.7
139.03896	15.2
140.04385	0.7
143.04951	1.4
145.02855	6.7
146.03630	4.7
147.04387	3.1
149.02356	16.0
150.03125	4.7
151.03917	31.7
152.04202	1.4
157.06439	1.8
158.03668	1.5
159.04420	12.1
160.05223	5.6
161.02332	3.4
161.05995	15.1
162.03128	3.7
162.06305	1.2
163.03902	4.7
164.01067	12.4
165.01854	10.7
166.02629	2.2
167.03455	3.9
173.06003	5.4
174.03241	1.3
174.06610	1.2
175.03954	6.5
175.07529	7.9
175.32011	1.0
177.05449	3.3
179.02002	1.5
179.03415	12.7
180.04041	0.9
184.05159	1.2
185.05995	2.8
187.03943	14.4
188.04701	10.8
189.05136	1.3
199.07535	3.3
201.05499	3.5
202.06296	7.8
203.07076	36.2
204.07462	2.3
205.04987	18.8
206.05321	1.1
212.04750	2.6
217.08708	1.0
221.08131	14.6
222.08626	1.2
227.07031	5.8
229.05096	1.0
230.05765	2.3
231.02919	1.1
245.08156	33.4
246.08484	2.4
247.06007	2.6
271.06033	2.5
289.07169	69.2
290.07294	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	6.0
58.36605	1.2
61.04400	1.2
61.04763	1.0
62.48650	1.2
69.03329	1.7
69.22492	1.1
69.34345	5.5
69.34774	5.8
69.73965	1.1
72.99188	1.2
81.03334	6.5
83.01235	7.8
85.02783	1.2
88.03928	3.5
93.03336	2.4
95.01238	1.7
95.04878	9.1
96.95922	1.2
97.02827	15.9
103.52566	1.3
108.02048	2.0
108.42124	1.0
109.02831	57.8
110.03122	1.5
121.02821	6.2
122.03630	3.6
123.04401	39.5
124.04669	1.2
125.02332	33.5
133.02852	1.8
135.04427	4.8
137.02328	18.6
138.03041	1.6
139.03940	8.2
145.02849	2.4
146.03621	2.8
148.89148	1.2
149.02365	10.0
150.03107	3.2
151.03915	18.4
157.06485	1.4
159.04434	5.0
160.05135	3.4
161.02344	2.7
161.05986	10.8
162.03082	3.3
163.03912	1.5
164.01051	7.7
165.01810	7.6
167.03412	3.6
173.06007	1.3
175.03864	1.8
175.07591	3.9
179.03410	16.2
181.04944	1.1
187.03917	8.2
188.04723	6.9
199.07672	1.4
201.05502	2.6
202.06218	3.7
203.03685	1.2
203.07054	23.6
205.04993	17.6
205.51471	1.1
217.08727	1.3
221.08127	7.6
227.07043	4.1
245.08138	34.3
246.08498	3.1
247.06165	2.8
289.07178	100.0
290.07385	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	289.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01235	8.6
61.77827	7.4
66.30527	6.5
70.59516	19.7
70.88251	7.1
71.01257	8.4
72.99181	100.0
75.00739	9.0
81.03337	10.1
84.99182	11.5
87.00764	23.2
91.05398	10.9
93.03358	9.7
96.67247	6.8
100.98671	17.2
103.00238	62.3
104.77621	6.9
106.20155	7.6
107.04893	28.4
108.02055	17.9
109.02826	28.0
111.04399	14.6
119.04919	11.9
121.02837	20.1
122.03654	10.3
123.04385	54.2
125.02359	9.2
133.02786	9.1
135.04393	25.8
137.06046	8.0
146.99274	46.2
147.04416	23.5
149.05989	46.3
151.03954	11.9
158.79727	7.6
163.03868	31.1
165.05444	23.7
177.05464	8.7
179.03235	11.0
181.04944	25.4
195.02953	9.3
206.57291	8.6
217.50052	7.2
239.05504	71.4
255.05104	10.0
289.05573	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0329
Annotation	Sedoheptulose 7-phosphate
Peak:m/z	Relative Intensity
50.77839	0.4
57.35152	0.5
58.63249	0.4
65.34348	0.4
71.01255	0.6
71.56693	0.5
73.66535	0.4
78.95773	41.0
80.78264	0.4
83.88695	0.4
95.17321	0.4
96.96838	100.0
101.02321	1.5
116.59651	0.4
138.97919	3.7
168.98993	1.8
174.51184	0.4
181.22217	0.5
191.05557	1.5
199.00066	10.3
209.40576	0.4
215.30531	0.4
229.01221	0.8
253.01167	0.5
289.03308	12.2
289.06519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2228
Annotation	10,16-Dihydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.26936	0.3
57.09267	0.3
59.01254	2.9
99.08044	1.0
111.08076	0.4
113.09606	1.1
121.02886	0.3
125.02335	1.6
125.09626	0.4
127.11188	1.6
129.09097	0.4
133.66634	0.3
137.02354	0.5
141.12773	1.3
143.10677	0.6
150.03040	0.4
155.14339	0.4
197.11844	0.3
199.62927	0.3
239.20226	0.7
241.19597	0.3
241.21732	1.9
269.21191	2.4
270.21655	0.4
285.20630	1.6
287.04843	0.8
287.22275	100.0
288.22610	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	288.1603
Annotation	Mesembrine
Peak:m/z	Relative Intensity
51.96981	0.3
59.01249	5.0
65.09862	0.4
70.20435	0.3
70.58926	0.9
70.59315	0.9
81.03337	1.8
92.04926	1.4
93.03333	2.1
108.04424	6.3
109.02835	7.5
121.02811	0.7
124.01495	0.6
129.68488	0.4
134.02368	36.8
135.03175	9.5
136.03940	40.3
137.02361	1.9
137.04251	1.2
138.38106	0.4
148.03912	1.0
149.04718	0.9
176.03452	4.6
177.04066	0.5
178.97829	0.4
181.03581	0.4
190.05042	0.7
204.06630	0.4
217.82317	0.4
288.16040	100.0
289.07135	0.6
289.16333	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	287.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	11.2
58.87889	2.0
59.01256	2.8
61.50827	2.0
65.00195	3.6
71.57477	2.9
72.99177	11.2
81.03340	2.4
83.01256	6.3
93.03344	3.4
97.02836	2.5
100.40292	2.4
103.00261	9.2
107.04874	4.5
108.02056	3.0
109.02822	6.4
117.03368	2.1
121.02872	3.0
123.00740	14.4
123.04397	7.0
124.01572	4.9
125.02332	100.0
135.04417	14.5
137.02330	7.5
139.03893	3.5
141.01807	4.9
149.02345	2.7
151.00267	14.6
151.03842	5.6
152.00980	7.0
157.06494	2.8
160.00560	3.7
163.03876	5.6
165.01880	2.5
167.03438	4.3
173.05963	3.9
177.05515	15.0
178.99789	4.6
179.03413	4.8
181.05051	5.3
197.04469	16.8
199.07686	2.4
201.05495	9.4
213.03894	3.1
215.07106	7.2
243.06703	12.8
259.06091	69.1
260.06409	2.9
272.27374	2.3
287.05896	38.0
288.05719	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	287.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	14.6
59.01263	1.3
60.89533	1.0
63.02257	1.9
65.00195	7.0
70.74580	1.0
71.01247	1.4
71.56590	1.0
72.99185	1.6
81.03328	4.8
83.01250	9.9
87.14077	1.0
91.83504	1.0
93.03320	3.3
103.00330	1.3
107.01263	4.7
107.04930	1.7
108.02031	1.5
109.02829	4.3
111.00758	1.3
114.77706	1.1
121.02797	1.5
122.74324	1.1
123.00744	3.3
123.04347	1.4
124.01569	2.4
125.02326	100.0
126.02704	1.5
131.04900	2.6
133.02832	3.1
135.04373	4.1
137.02362	3.0
145.02794	1.2
145.50745	1.1
147.00908	1.1
151.00298	9.9
152.01060	7.0
153.01794	1.4
157.06461	2.6
158.03525	1.1
159.04362	1.6
165.01802	1.1
169.01370	1.2
171.04446	1.7
172.05182	2.6
173.05966	4.7
175.04010	1.2
177.05453	16.3
178.05858	1.1
178.99698	6.1
197.04451	1.8
199.07635	2.1
201.05556	7.7
215.07103	6.7
219.06628	1.6
241.04874	1.6
243.06596	9.0
259.06079	59.5
260.06549	2.8
269.04437	2.6
287.05627	32.0
288.05789	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	287.0561
Annotation	Isookanin
Peak:m/z	Relative Intensity
51.40089	0.3
57.03315	0.3
59.63134	0.3
60.65946	0.3
63.02275	2.7
64.99841	0.6
65.00191	12.0
70.15444	1.2
80.46796	0.3
83.01254	6.3
83.01710	0.5
84.17914	0.2
107.01266	16.7
107.04894	0.4
108.01579	0.5
109.02835	2.5
119.04908	0.4
125.02346	3.3
127.22883	0.3
133.02872	2.2
134.03601	1.3
135.04417	100.0
136.04735	3.4
151.00276	82.0
152.00618	2.8
153.00740	0.4
159.04414	0.4
161.02382	0.9
164.01158	0.3
165.01904	0.5
169.01306	2.1
169.37883	0.3
177.01892	0.6
193.98419	0.3
206.40669	0.3
236.99544	0.3
237.17593	0.3
246.14120	0.3
269.04529	0.8
287.04919	17.3
288.05368	0.9
289.07858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
55.12544	0.5
57.03318	14.2
58.03646	0.5
61.07345	0.5
63.02260	4.4
65.00195	8.1
67.01748	0.5
70.35402	1.3
75.05528	0.5
75.98927	0.5
81.03327	3.3
81.40693	0.5
83.01257	10.1
93.03335	2.8
95.01263	1.2
101.84257	0.6
107.01273	6.9
107.04871	0.9
109.02807	2.6
111.00770	1.1
117.03329	1.0
119.04918	0.6
121.02827	1.2
123.00759	0.9
123.04411	2.1
124.01548	2.8
125.02332	100.0
126.02652	2.8
130.04121	0.7
131.04893	2.6
133.02863	3.4
134.03618	1.2
135.04465	2.5
145.06534	0.6
147.04401	0.6
149.06024	0.8
150.99112	1.0
151.00273	13.8
152.01060	9.2
153.01883	3.1
156.05734	0.7
157.06485	2.6
159.04411	2.5
161.02351	0.6
165.01813	0.7
169.01314	1.4
169.06468	0.8
171.04469	0.9
171.12793	0.5
172.05202	2.1
173.05984	6.1
174.34741	0.5
175.03903	1.2
176.00966	0.6
177.05484	15.9
178.99751	7.5
181.06487	0.6
187.07550	0.8
197.06018	1.2
199.03914	0.9
199.07541	3.0
200.04707	0.8
201.05508	8.9
202.05914	0.6
203.03435	1.4
213.05518	1.8
215.07085	6.1
219.06613	2.0
222.85997	0.5
241.05077	2.3
243.06595	12.2
244.06874	0.7
259.06094	74.4
260.06430	4.1
269.04556	3.1
287.05603	47.2
288.06021	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	287.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26625	1.3
59.01255	19.9
71.01249	3.9
71.11198	2.5
71.11567	3.3
72.99177	41.8
73.02824	3.4
80.88564	1.4
81.03315	3.2
83.04886	1.7
84.99234	1.8
85.99969	2.3
87.00753	9.8
93.03326	6.4
95.01251	3.1
95.04903	4.8
97.02802	2.8
99.00755	3.1
100.98683	2.9
103.00249	86.6
107.04889	3.2
109.02838	40.7
110.72474	1.5
112.98672	1.7
115.33677	1.5
117.03385	1.7
119.04900	2.1
121.02852	35.5
123.00766	29.4
123.04398	19.7
124.01608	9.3
125.02334	54.1
126.02592	2.6
135.04385	11.7
137.02328	34.8
139.03906	52.4
140.04233	2.3
145.02820	5.1
146.99199	5.7
151.03900	22.4
157.94899	1.7
161.02335	4.6
163.03912	46.5
164.01030	3.5
164.04208	2.4
165.01820	10.3
167.03409	23.7
169.04956	2.3
177.01802	2.3
179.03423	31.1
180.03638	2.7
181.04933	15.7
189.01842	8.2
195.02869	10.1
197.04468	100.0
198.04823	4.1
207.02966	10.3
211.02406	10.9
213.03958	9.0
227.10034	1.6
233.00952	2.2
251.01999	7.7
254.04317	2.0
269.02890	7.5
287.04062	48.3
288.04453	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	287.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42198	5.1
50.78365	4.2
55.72461	3.9
59.01241	15.3
69.03309	7.2
69.95289	15.9
71.01248	13.1
72.99179	83.1
73.02798	9.8
74.11575	3.7
75.00744	6.1
81.03340	5.8
84.18793	4.0
84.99178	22.0
85.02821	7.7
85.99953	5.7
87.00761	14.4
93.03333	8.5
95.01228	9.0
98.20475	5.8
99.00744	5.6
99.04338	4.8
100.98693	25.2
103.00248	100.0
109.02822	29.9
111.04434	5.7
113.20761	3.8
121.02836	15.8
123.00764	30.4
123.04415	19.1
123.77623	4.4
124.01582	10.7
125.02351	40.8
132.20470	4.7
135.02879	10.7
135.04437	5.9
137.02336	28.4
139.03891	36.7
141.01849	8.3
146.98161	4.2
146.99245	85.2
151.03915	19.4
163.03903	12.9
165.01855	8.3
167.03421	13.7
179.03375	17.8
181.04916	16.4
195.02884	9.8
197.04491	67.4
204.57893	4.2
207.02806	7.3
254.04274	49.2
269.02863	4.9
287.04004	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	26.9
62.88091	3.1
69.98008	18.0
71.01255	6.3
72.99176	58.0
75.00751	8.8
81.03337	7.1
83.23558	3.2
84.99190	3.7
87.00745	11.0
93.03311	9.8
95.01274	6.6
95.04901	7.5
97.02834	4.3
99.00756	3.4
100.98683	7.0
101.17009	3.4
103.00246	100.0
107.04898	6.7
109.02827	39.7
109.06476	13.7
119.04907	4.3
121.02823	35.3
123.00766	19.7
123.04408	20.7
124.01551	11.2
125.02333	42.2
135.02884	27.8
135.04398	10.3
137.02328	25.0
137.05936	6.1
139.03917	24.9
141.01907	3.9
145.02914	4.2
146.99228	16.4
151.03896	18.4
163.03909	50.7
165.01923	5.2
165.05394	3.2
167.03426	9.0
167.07030	7.8
169.01328	6.3
169.46021	3.0
179.03427	14.0
181.04996	16.6
195.02861	6.5
197.04480	67.2
197.08066	4.2
198.04721	5.3
207.02977	7.5
211.02484	8.1
211.06149	5.0
213.03978	6.3
251.01892	5.4
254.04294	5.5
269.02899	7.0
287.04071	74.4
287.07669	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	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01242	0.7
61.98711	0.4
70.02844	1.2
74.05989	1.9
99.51815	0.3
118.04980	1.0
125.02316	1.3
145.35786	0.3
146.49156	0.3
149.35684	0.4
168.30583	0.3
195.92848	0.3
240.23274	2.8
241.23578	0.3
242.21255	1.4
268.22736	1.2
284.22260	0.6
286.04422	3.8
286.23868	100.0
287.04843	0.4
287.24255	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	287.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.1
59.01232	10.5
69.98668	3.5
69.99082	5.5
71.01252	7.1
72.99177	59.8
73.02795	6.3
74.99538	1.6
81.03313	4.2
84.99173	13.7
85.02773	1.7
85.99973	6.2
87.00734	8.9
93.03325	4.6
95.01244	4.9
95.04905	3.8
97.02827	5.2
98.19857	2.4
99.00722	3.5
100.98674	21.6
103.00245	100.0
107.04903	3.7
108.02069	1.9
109.02833	24.5
111.04399	4.8
111.60857	1.6
112.98670	2.8
113.02291	2.3
121.02829	12.8
123.00760	19.0
123.04401	9.0
124.01517	7.3
125.02329	32.4
128.98135	1.8
130.99767	1.7
135.04387	5.0
137.02336	17.2
139.03905	23.6
141.01791	6.8
146.99246	91.4
147.99570	2.5
151.03917	12.3
153.05516	2.2
163.03905	13.3
165.01848	5.3
167.03375	8.6
169.04951	2.2
179.03409	13.4
181.04973	13.1
189.01740	2.3
195.02927	5.9
197.04477	61.8
198.04794	2.9
207.02879	6.4
211.02333	6.1
213.03931	8.2
225.04004	2.7
251.01930	4.0
254.04298	60.4
255.04701	3.5
269.02979	14.2
287.04056	70.5
288.04413	3.3
291.35925	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	285.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22352	0.3
55.01759	0.8
59.01238	0.4
63.02271	0.5
65.00196	3.4
66.38003	0.3
68.99696	0.5
70.49178	0.3
70.55562	1.1
77.03838	10.3
77.27682	0.3
79.01762	28.1
80.02102	0.7
83.01272	1.2
88.28894	0.4
93.03338	13.0
95.04881	0.5
97.02831	7.6
98.19842	0.3
107.01242	1.2
107.04897	0.7
109.02843	1.2
117.03343	1.1
118.17547	0.3
119.04914	79.6
120.05243	2.9
121.02841	30.0
122.03108	0.6
123.00730	0.6
123.04385	0.7
135.04436	0.7
137.02324	2.9
139.03949	0.8
143.04897	1.4
145.02859	2.0
147.04433	0.6
151.00281	2.2
151.03894	1.0
157.06485	1.1
159.04408	0.4
161.05981	0.9
163.00278	0.7
165.01843	62.0
166.02133	2.2
169.01340	0.7
171.04414	1.1
179.03413	4.8
183.02925	4.0
185.06044	1.8
187.03923	2.1
191.03418	9.1
197.05954	0.4
198.06664	0.4
199.07579	1.0
201.05499	0.4
211.03931	0.5
213.05486	1.2
214.02570	0.5
215.03441	0.4
227.03526	0.4
229.04961	1.2
239.03316	0.7
241.05029	0.5
241.08644	0.7
243.06557	0.9
257.04495	1.5
284.26886	1.1
285.04059	50.2
285.07657	100.0
286.04385	3.2
286.08002	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	285.0769
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
55.01773	0.8
56.77026	0.3
63.02284	0.2
65.00191	3.7
68.99680	0.5
69.03320	0.3
69.54022	0.3
70.45732	0.9
71.76974	0.3
77.03833	10.9
79.01762	29.1
80.02100	0.7
83.01264	1.2
87.48206	0.3
93.03336	12.4
95.04897	0.7
97.02824	7.8
107.01273	0.7
107.04906	0.5
109.02837	0.8
117.03323	0.6
117.94189	0.3
119.04912	80.5
120.05241	2.5
121.02841	29.6
122.03205	0.9
123.04417	0.9
133.02768	0.5
135.04387	0.5
137.02322	2.7
139.03912	1.0
143.04906	1.1
145.02853	2.2
147.04446	0.6
150.03107	0.3
151.00272	0.4
151.03888	0.8
157.06497	0.5
161.05997	0.7
165.01840	64.4
166.02129	2.0
169.06503	0.4
171.04475	0.3
179.03416	5.7
183.02898	4.8
185.06041	0.5
187.03915	1.8
191.03412	7.8
197.05942	0.3
199.07634	1.4
211.13370	2.9
215.07085	0.4
241.08733	0.6
243.06546	0.9
245.50827	0.3
260.99994	0.3
267.06354	0.3
279.25125	0.3
284.26767	0.8
285.04144	9.9
285.07639	100.0
286.04453	0.8
286.07977	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	285.0768
Annotation	2'-O-Methyllicodione
Peak:m/z	Relative Intensity
51.05996	0.2
53.25845	0.2
53.47235	0.3
56.15590	0.2
57.03292	0.3
59.01250	5.6
62.95734	0.3
63.02256	0.3
65.00176	0.2
68.63290	0.2
69.23968	1.5
69.24389	1.2
70.37697	0.2
71.01241	0.7
72.99181	0.5
83.01260	0.3
93.03336	16.0
94.03645	0.4
106.04141	1.2
107.01277	0.6
107.04909	15.4
108.02019	0.4
108.05231	0.5
117.03356	0.4
119.04918	3.3
120.05265	0.3
121.02819	0.4
123.04411	0.9
133.02853	0.6
134.03639	0.8
135.04410	67.7
136.04727	2.6
143.04915	0.3
145.02876	0.3
146.03653	0.4
147.04404	2.1
149.02443	0.3
151.00270	0.9
163.03882	0.4
165.05486	100.0
166.05817	3.4
181.04932	0.3
185.06012	0.4
187.04004	0.4
203.02676	0.5
205.05092	0.3
211.03888	0.3
213.05444	0.4
219.00230	0.3
227.03342	0.3
228.03828	0.7
229.05055	1.1
256.03424	0.8
257.04465	1.0
284.26788	0.4
285.00726	0.3
285.04041	9.8
285.07690	8.8
286.04453	0.9
286.08078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0767
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
53.96462	0.4
55.01767	0.8
65.00196	3.8
70.60249	1.3
73.16696	0.4
75.99903	0.4
77.03831	10.4
78.00996	0.4
79.01758	27.2
80.02111	0.7
83.01247	0.8
83.31725	0.4
93.03330	10.4
94.03694	0.4
97.02818	7.3
105.13448	0.5
109.02819	0.7
109.07854	0.4
112.98431	0.4
117.03340	0.5
119.04909	77.5
120.05238	3.0
121.02836	29.8
122.03143	0.9
133.02827	0.4
137.02357	2.0
139.03941	0.6
143.04919	0.8
145.02850	1.7
147.04411	0.5
151.00302	0.4
151.03917	1.0
161.06032	0.8
165.01833	64.6
166.02281	2.3
179.03415	5.1
180.03792	0.5
180.62088	0.4
183.02866	3.9
187.03902	2.1
191.03427	8.0
199.07559	1.0
231.74615	0.4
241.08623	0.7
243.06561	0.6
285.04187	5.9
285.07635	100.0
286.04660	0.9
286.07974	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	285.0405
Annotation	Kaempferol
Peak:m/z	Relative Intensity
52.88772	0.2
57.11161	0.2
57.85469	0.2
59.01238	0.3
63.02274	1.2
65.00178	0.9
67.01752	0.3
71.21679	0.3
79.01753	0.2
83.01257	1.2
85.37987	0.2
91.01779	0.4
93.03336	3.0
94.71361	0.2
95.01275	0.4
107.01275	2.3
108.02055	0.6
109.02841	0.8
117.03339	1.3
119.01259	0.3
121.02815	0.3
123.00751	0.4
123.04427	1.1
129.32695	0.2
130.04086	0.3
131.04926	0.5
133.02832	0.8
135.00758	0.8
135.04361	0.4
137.02324	0.9
143.04909	1.7
145.02840	1.5
147.04378	0.2
151.00258	2.3
154.04120	1.1
155.04948	0.9
156.05695	0.5
157.02826	0.5
157.06454	0.9
158.03589	0.4
159.04420	1.7
161.02339	0.7
163.00270	1.0
163.83527	0.2
164.01015	0.5
165.01793	0.5
165.05502	0.4
166.48981	0.2
167.04922	0.7
168.05649	0.3
169.01355	1.1
169.06479	1.3
171.04393	1.3
173.02357	0.7
173.06004	0.3
175.04005	0.3
178.50172	0.2
183.04433	0.5
184.05148	0.5
185.05992	2.4
187.03963	2.1
189.05438	0.3
195.04437	0.5
197.05911	0.4
199.03889	0.6
201.05505	0.7
211.03893	1.5
211.11377	0.2
211.13306	0.4
212.04738	0.2
213.05499	1.4
214.02682	1.0
215.03416	0.8
219.02887	0.4
223.96320	0.2
227.03471	1.1
229.05029	2.1
239.03464	1.8
240.04176	0.6
241.05042	0.5
243.02991	0.8
255.03044	0.6
256.03818	0.4
257.04410	1.4
267.02945	0.4
268.03717	0.4
284.26840	0.6
285.04028	100.0
286.04376	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	285.0403
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.22983	0.2
58.71134	0.2
63.02254	0.6
64.86926	0.2
65.00193	2.4
69.58963	1.2
70.95126	0.2
83.01261	1.6
89.92884	0.3
98.20582	0.4
105.03317	0.6
107.01268	4.5
121.02819	0.9
132.02063	0.4
133.02841	23.6
134.03181	0.6
143.04906	0.4
147.04436	0.3
149.02347	3.6
151.00269	8.4
157.06523	0.3
169.06525	0.4
171.04384	0.7
173.02345	0.4
175.02481	0.4
175.03920	5.1
185.05945	0.6
189.05533	0.3
197.05930	0.6
198.03136	0.7
199.03903	4.0
201.01842	1.7
211.03912	0.3
213.05547	0.7
215.03400	0.8
217.04965	2.2
229.05109	0.3
240.04282	0.4
241.05049	1.6
243.02910	1.2
257.04453	0.7
267.02960	0.4
285.04022	100.0
286.04364	6.9
286.07407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01247	1.8
63.02262	1.8
65.00184	1.2
71.37862	0.6
73.91756	0.3
77.03806	0.3
79.01760	1.5
83.01254	1.4
85.33113	0.3
88.86137	0.3
91.01761	1.0
93.03323	4.5
95.01211	0.3
107.01247	3.5
108.02071	0.4
109.02826	1.8
117.03352	2.0
119.01320	0.7
119.04908	3.5
121.02867	1.8
123.00761	0.4
130.04126	0.4
131.04909	1.0
133.02887	0.6
134.99837	0.3
135.00726	2.0
135.04414	0.7
137.02290	0.9
141.06973	0.3
143.04915	2.9
145.02858	1.4
151.00269	3.0
153.01823	0.6
154.04143	0.9
155.04936	0.9
155.93866	0.3
156.05740	1.0
157.06483	1.6
158.03635	0.5
159.04440	3.1
161.02295	0.6
161.05969	0.4
163.00287	2.8
164.00983	0.9
165.01839	3.0
165.05466	0.6
167.04926	1.8
168.05659	0.4
169.01338	0.4
169.06506	1.2
171.04457	1.4
173.02286	0.7
173.05908	0.4
183.04506	1.5
184.05011	0.7
185.02444	0.5
185.06000	4.3
186.02771	0.4
186.06444	0.4
187.03941	5.0
189.05473	1.0
191.03416	0.4
195.04454	1.2
196.05247	0.6
197.06021	1.5
198.03096	0.4
199.03922	1.5
201.05458	1.2
211.03920	2.9
212.04507	0.7
213.05525	3.0
214.02605	0.8
215.03452	0.7
227.03407	4.5
228.03778	4.0
229.05003	14.9
230.05350	0.9
239.03432	2.3
240.04184	1.3
241.05045	1.6
243.02974	0.7
243.16069	0.9
255.02876	1.6
256.03345	5.8
257.04535	7.2
267.02917	0.8
285.04016	100.0
285.07535	5.0
285.16748	1.4
286.04373	7.4
288.80496	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.7
63.02256	1.5
65.00191	2.6
70.34562	0.6
72.56818	0.4
72.99161	0.6
83.01273	1.8
91.01723	0.4
93.03329	3.8
95.01269	0.4
105.03321	0.6
107.01277	4.4
107.04877	1.7
109.02107	0.3
109.02836	0.9
117.03339	1.2
119.04893	2.9
121.02853	0.8
123.00764	0.9
123.04344	0.4
130.04097	0.5
133.02853	10.8
135.00752	1.0
135.04399	5.9
137.02336	0.6
141.07001	0.4
143.04938	1.7
145.02829	1.0
147.04367	0.4
149.02332	1.4
151.00272	5.0
154.04179	0.5
155.04900	0.7
157.02827	0.3
157.06487	0.6
158.03621	0.5
159.04382	1.3
159.05568	0.3
161.02341	0.4
163.00262	1.2
163.03905	0.8
164.01028	0.7
165.01761	0.8
165.05486	7.9
166.05655	0.3
167.04950	0.7
169.01314	0.7
169.06476	1.1
170.03806	0.4
171.04364	1.5
173.02332	0.4
175.03882	1.6
183.04404	1.2
184.04846	1.0
185.06017	2.6
186.02715	0.6
187.03899	2.8
189.05531	0.6
195.04465	0.7
197.05956	0.5
198.03122	0.4
199.03868	2.1
201.01837	0.5
201.05530	0.5
203.02705	0.7
205.05008	0.5
211.03915	1.7
212.04404	0.8
213.05536	1.5
214.02570	1.3
215.03423	0.8
217.05017	0.7
227.03426	3.6
228.03784	10.6
229.05066	4.6
239.03436	1.3
241.04982	1.3
243.02939	0.8
255.02928	2.0
256.03302	13.0
257.04343	3.9
267.02997	0.3
284.26733	0.3
285.03986	100.0
286.04330	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01234	0.5
69.77604	0.2
83.04887	0.2
120.22894	0.2
138.59958	0.2
154.86632	0.2
229.16296	0.2
261.22296	0.3
261.92819	0.2
272.53290	0.3
279.23264	100.0
280.23611	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	281.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	3.7
71.01249	1.7
75.00740	8.1
77.01321	0.8
78.68148	0.7
79.95731	0.8
89.02314	2.0
93.03322	1.2
97.94719	0.8
98.20545	2.0
100.65688	0.9
113.02306	0.8
119.04910	65.6
120.05261	2.4
135.02884	28.5
142.59125	0.7
163.03909	100.0
164.04256	3.4
183.29044	0.7
225.19762	0.7
281.06702	1.4
281.24756	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0611
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
59.01241	1.3
65.00190	0.6
69.52887	1.3
69.53294	0.6
77.03853	1.9
79.01762	4.8
89.02331	0.3
90.53431	0.3
90.85624	0.3
97.02816	0.9
98.19753	0.3
105.50587	0.3
107.01261	0.5
117.03339	23.0
118.03683	0.9
119.04886	1.0
121.02834	4.9
122.99245	0.2
125.90012	0.2
135.04395	1.8
145.02846	0.4
148.01556	0.6
159.04430	0.9
161.02303	0.4
163.03912	7.1
165.01830	7.7
169.06425	0.4
183.02905	0.4
183.04448	0.5
183.08022	0.5
195.04333	0.3
195.08046	1.0
196.05107	0.3
197.06021	1.3
201.02385	0.4
211.07542	0.8
215.07072	1.0
224.04645	0.5
229.31487	0.3
237.05479	0.4
238.06206	0.3
239.07024	3.7
240.07428	0.4
241.04967	1.6
255.03003	3.8
255.05602	0.4
255.06602	0.2
256.03302	0.3
268.03705	0.4
281.04440	0.3
283.06088	100.0
283.26419	8.9
284.03424	0.3
284.06439	8.0
284.26559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.40028	0.8
59.01267	1.1
70.32611	3.5
71.59566	0.8
72.22301	0.9
98.19948	1.5
126.40179	0.9
139.14592	0.9
185.69226	1.0
219.79485	1.0
277.21707	100.0
278.22086	10.5
292.70654	1.0
295.60883	1.1
299.09024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.45231	0.2
59.01247	3.4
60.38979	0.2
71.01231	0.5
76.72517	0.2
113.05877	0.3
127.07544	0.5
134.06259	0.2
205.15881	0.3
227.54820	0.2
233.22729	0.5
248.70288	0.2
259.20587	0.5
275.20056	0.5
277.18503	4.4
277.21683	100.0
278.22046	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	7.1
61.37144	0.4
71.01227	0.7
93.03287	0.4
93.91715	0.3
113.05981	0.5
114.25900	0.3
121.02824	0.4
137.02298	0.4
152.91666	0.9
158.48065	0.3
160.45386	0.3
180.20071	0.3
185.19171	0.4
191.05200	0.3
194.92722	1.4
194.95419	0.4
205.15863	1.7
212.93903	0.4
216.86041	0.3
229.86073	0.4
233.19061	0.8
233.22661	0.5
275.20181	0.4
277.18207	11.0
277.21695	100.0
278.18506	1.0
278.22046	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	279.1237
Annotation	8'-Hydroxyabscisate
Peak:m/z	Relative Intensity
57.03317	7.5
59.01242	3.6
65.90926	1.5
69.03326	4.7
71.01268	1.6
81.03336	1.6
83.04891	4.2
85.99980	6.2
87.04393	2.3
93.03325	2.7
95.04894	4.3
97.02821	8.8
97.06467	3.3
99.04399	7.1
107.04893	2.3
109.02838	1.6
109.06494	3.8
111.04395	4.4
121.06506	7.0
122.03571	1.6
123.04416	1.7
123.08026	2.8
125.05982	9.4
133.06487	1.8
135.04369	3.4
135.08060	2.9
136.05206	19.3
137.09624	7.3
139.07530	7.1
147.04428	1.9
147.08096	3.7
147.11688	5.0
151.07553	100.0
151.11143	12.3
152.07846	2.9
156.09346	3.3
158.07272	3.7
161.06081	1.6
161.09528	1.7
165.09064	2.9
167.07031	5.3
168.07840	27.9
169.08629	9.9
171.08101	4.6
171.11693	5.8
173.09618	6.6
175.11226	3.3
177.09224	1.5
179.07104	8.4
179.10658	3.7
184.08856	20.0
185.09259	1.9
187.11201	12.7
189.09195	2.4
189.12788	14.0
191.10689	2.9
199.11255	13.4
201.09145	9.8
202.09897	6.0
205.12291	44.3
206.12654	1.8
215.10727	7.4
217.12288	60.7
218.12625	3.9
235.13354	7.5
243.10225	2.5
249.11226	2.1
251.06812	1.6
261.11310	4.8
279.12430	22.4
279.15521	2.3
279.23184	4.9
281.43338	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21977	1.5
59.01242	2.6
61.61934	1.2
70.02201	5.6
70.20192	1.2
72.99171	23.1
73.02808	3.4
75.00743	3.3
81.03315	2.2
87.00750	4.4
93.03348	9.1
95.04864	1.9
103.00229	16.2
107.04890	20.7
109.02831	6.0
111.04391	3.7
119.04905	6.4
123.04375	3.7
125.05962	4.9
133.02811	2.9
135.04370	3.2
139.03853	1.4
139.91068	1.3
147.04402	11.1
149.05923	7.3
160.77831	1.4
165.05447	19.1
175.03836	1.6
179.03413	3.4
181.05000	1.9
183.06546	9.3
186.78992	1.4
189.37555	1.3
193.04932	2.9
197.04430	5.9
211.06055	4.1
227.05656	1.9
237.03770	1.8
255.05019	7.7
273.06131	100.0
274.06366	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	275.0925
Annotation	Prelunularic acid
Peak:m/z	Relative Intensity
71.58224	0.6
81.03375	0.3
85.02859	0.5
95.27121	0.3
111.21909	0.3
125.02304	0.5
130.04118	0.9
146.03621	1.0
149.49277	0.4
150.91365	0.3
151.07552	0.9
158.03639	2.9
159.04419	4.4
159.08017	0.5
172.05206	11.9
173.05980	7.7
174.06654	0.6
175.07452	0.5
182.27097	0.4
183.04414	0.6
187.04079	5.2
187.07564	100.0
188.07903	6.1
192.34561	0.3
197.06006	0.6
198.06824	0.5
199.03812	0.4
201.03636	0.4
201.05505	11.1
202.06279	18.5
203.06653	1.4
204.04230	2.6
211.07445	0.4
213.09129	2.9
215.07053	0.9
216.07813	0.8
220.17894	0.4
231.10197	19.2
232.10536	1.5
257.04404	0.4
275.09222	2.7
275.18594	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2014
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
58.79070	0.4
59.01247	5.0
64.87320	0.4
67.63733	0.5
70.58666	1.2
71.01245	1.4
76.35674	0.4
79.95609	0.9
83.04904	0.7
93.36289	0.5
101.02346	0.5
108.61632	0.4
115.69366	0.4
116.92708	0.6
127.07555	0.7
129.58987	0.5
141.73456	0.4
177.16402	2.1
188.36255	0.5
191.10754	0.5
192.95737	1.5
201.58698	0.5
231.17480	1.0
231.21118	8.9
237.81770	0.4
257.19080	1.1
275.20126	100.0
276.20444	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	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
63.96136	0.2
68.47842	0.2
70.91970	0.6
72.99185	0.6
75.50038	0.2
108.02018	0.4
109.02847	1.3
119.04860	0.4
121.02820	0.3
123.04400	1.3
125.02321	1.0
151.00278	0.3
152.05708	0.3
162.05615	0.3
181.04971	0.4
225.22169	4.0
233.10812	0.3
241.04942	0.3
253.21642	1.7
269.21243	0.9
271.04608	0.6
271.22760	100.0
272.23129	7.6
277.02707	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2277
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
51.27872	0.2
59.01242	0.5
71.11755	0.4
71.12083	0.4
72.99163	0.5
74.83370	0.2
78.65623	0.2
81.71102	0.2
92.84052	0.2
108.02032	0.4
109.02834	0.8
123.04393	0.6
125.02337	0.7
181.04977	0.4
187.01024	0.2
196.65195	0.3
225.22157	4.8
241.05095	0.2
253.21669	1.6
269.21201	1.1
271.22769	100.0
272.23114	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	272.049
Annotation	Pyrisulfoxin B
Peak:m/z	Relative Intensity
59.01254	4.1
64.74557	2.8
70.72639	6.8
70.73031	5.4
71.01255	5.0
72.08830	2.8
72.99178	63.7
73.99512	12.4
74.99593	2.9
78.25594	2.8
87.00742	12.9
88.56863	2.8
93.03334	14.2
94.03676	10.8
99.00754	7.3
100.01058	3.0
103.00257	13.9
104.00537	2.9
108.02048	4.7
109.02847	41.8
110.02453	5.3
110.03163	57.9
111.00815	2.7
115.39513	2.7
121.02827	4.1
122.03186	7.3
123.04427	48.9
124.04746	74.8
136.04749	8.5
137.02292	3.0
139.62750	3.6
148.04684	5.0
150.02644	2.9
151.03864	4.7
152.04213	12.9
163.03848	5.6
164.04237	13.1
166.05844	5.4
180.03770	4.1
181.05066	17.4
182.05318	68.1
192.03795	15.4
195.02914	6.8
196.03320	18.8
198.04805	4.4
210.04776	9.8
254.03859	35.8
272.01978	5.9
272.04892	100.0
272.07806	5.8
273.05090	6.0
273.26196	2.9
275.64740	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	271.0974
Annotation	4,7-Dihydroxy-2,6-dimethoxy-9,10-dihydrophenanthrene
Peak:m/z	Relative Intensity
62.02566	0.2
72.99156	0.3
75.00762	0.2
75.06255	0.2
98.20580	0.4
104.14943	0.2
108.02060	0.3
109.02811	0.9
119.04926	0.4
123.04429	0.6
125.02303	0.4
140.13826	0.2
154.94832	0.2
169.06537	0.4
171.04405	0.9
173.05957	0.4
179.04973	0.2
185.05951	1.8
189.05508	0.3
195.04494	0.7
196.05278	1.2
197.06003	7.2
198.06328	0.6
199.03918	3.4
203.89836	0.2
211.03920	0.3
212.04713	3.6
213.05490	7.3
214.05914	0.4
223.04141	0.3
224.04654	0.4
227.07051	0.7
240.04224	37.0
241.04922	10.2
242.05325	0.5
254.05817	0.3
255.06581	63.5
256.07217	12.0
257.07739	0.5
271.09723	100.0
272.10077	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	271.2278
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01742	0.5
57.03329	0.5
62.69764	0.4
70.79865	0.7
70.80221	0.9
72.99184	0.7
84.02099	0.4
108.02102	0.5
125.02309	1.0
169.03943	0.4
182.70094	0.5
197.19026	1.1
221.19090	0.5
223.20627	3.5
225.22188	64.8
226.22543	5.2
253.21701	1.7
271.22772	100.0
272.23108	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	271.061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	2.3
58.33200	0.3
59.01249	0.4
63.02264	5.5
64.57298	0.3
65.00189	5.3
68.99687	0.7
69.40283	2.7
72.99179	2.7
78.32530	0.3
81.03312	0.4
83.01255	6.1
91.05393	0.9
93.03341	0.9
95.01227	0.4
97.02780	0.3
99.00731	0.4
102.24393	0.3
103.00236	0.5
107.01266	5.6
108.02042	1.1
109.02834	3.9
111.00734	0.4
115.05426	1.4
117.03362	0.4
119.04900	2.1
121.02815	0.8
123.04410	4.2
124.01556	2.1
125.02333	10.9
126.02717	0.5
131.04898	0.6
133.06500	0.3
135.00748	0.4
137.02330	1.1
139.05431	0.5
141.06992	0.9
143.04936	0.3
147.08012	0.8
151.00264	4.6
151.03871	0.3
153.01878	1.0
153.07025	0.4
155.04945	0.5
157.06465	2.3
159.04370	0.4
161.05992	6.9
162.06282	0.4
165.01819	1.9
165.07018	0.8
167.04927	0.3
169.01324	2.8
171.04396	0.4
171.08055	0.6
173.05984	1.1
175.07603	0.7
177.01891	0.4
180.05711	0.4
181.04993	1.9
181.06522	1.5
183.04402	0.4
183.07993	0.4
184.05263	0.3
185.06021	2.4
191.03445	0.7
195.02890	0.4
195.04430	0.4
197.06020	9.6
199.07600	0.9
200.04385	0.3
208.05202	0.4
209.04320	0.3
209.06052	1.3
213.05527	1.1
214.99832	0.5
215.07054	2.3
225.05510	4.0
225.07570	0.5
227.07126	0.3
241.05048	0.9
242.05420	0.3
242.99310	0.7
243.06567	1.0
253.05072	13.9
254.05476	1.1
271.06131	100.0
271.22681	1.6
272.06439	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	271.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26817	0.3
51.68929	0.4
53.80790	0.4
57.03320	15.3
59.01196	0.4
59.95958	0.4
62.15992	0.4
65.00182	0.5
69.46880	2.7
71.77711	0.4
72.99173	3.3
81.03316	2.7
83.01259	4.3
83.31870	0.4
93.03294	0.9
93.19375	0.4
94.09762	0.4
95.04879	0.5
98.19801	1.0
99.00748	0.5
105.03317	0.5
107.01211	0.6
108.02044	0.6
109.02824	8.0
111.00746	2.5
115.05434	0.5
115.77696	0.4
117.03343	1.4
119.04940	0.8
121.02843	0.7
123.04411	5.7
124.01555	0.8
125.02325	100.0
126.02667	2.1
131.04926	1.9
133.02869	1.1
133.06491	0.7
135.04393	1.9
137.02271	0.6
143.04858	0.9
145.02843	27.2
146.03625	4.9
147.04147	0.4
149.02316	3.6
151.00304	0.6
151.48672	0.5
155.04921	0.6
157.06497	1.2
159.04411	16.2
160.04805	1.0
161.02365	1.1
161.05968	9.5
162.06375	0.6
167.04990	0.5
170.03708	0.8
174.06673	0.4
175.03949	0.8
181.04936	3.2
181.06317	0.6
183.04405	3.9
184.05188	1.0
185.05988	7.9
186.06413	0.7
187.03926	8.1
188.04675	0.6
191.03474	1.0
195.02879	0.6
195.04483	0.4
197.05974	0.4
199.03981	0.6
199.07668	0.8
200.04382	0.5
201.05511	4.3
202.05907	0.5
203.07059	6.1
204.07504	0.4
207.11151	0.4
209.06039	2.9
211.03983	1.7
212.04660	0.6
213.01958	0.7
225.05469	2.0
226.06172	0.6
227.03499	1.3
227.07072	5.9
228.07439	0.5
229.05011	2.4
230.02208	1.8
243.06793	0.6
253.05093	9.4
256.03729	0.9
270.05005	1.3
271.06165	47.4
271.19382	0.6
271.22800	1.8
272.06567	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	271.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01931	0.8
63.02262	9.9
65.00193	16.1
68.99688	0.6
76.47845	0.5
83.01257	13.3
90.69225	0.5
93.03332	13.4
107.01266	25.3
108.99143	0.6
109.02825	1.0
119.04911	70.3
120.05243	2.7
121.02831	0.6
123.11166	0.5
125.02322	0.9
133.02766	0.6
143.04901	0.9
145.02878	1.5
151.00267	67.8
152.00626	1.9
161.05942	0.8
165.01871	3.0
169.01335	4.1
177.01836	10.7
185.06012	0.9
187.03883	2.2
209.05785	0.5
209.74794	0.4
227.07236	0.9
229.24808	0.7
255.05946	0.4
260.64670	0.5
271.06107	100.0
272.06430	5.9
283.45334	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0611
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
54.38841	0.7
59.01249	0.7
59.45856	0.8
63.02266	11.4
65.00195	18.8
69.43006	5.2
71.62972	0.6
72.99194	3.4
80.67978	0.6
81.03305	0.9
83.01259	13.2
87.00755	0.6
93.03335	17.3
98.20544	0.8
103.00280	0.7
106.89479	0.6
107.01270	27.1
108.02110	1.4
109.02843	6.3
119.04916	81.4
120.05220	2.3
121.02824	1.4
121.06501	1.0
123.04425	6.3
125.02338	4.2
126.32406	0.7
143.04959	1.4
145.02834	2.4
149.02287	1.0
151.00273	76.2
152.00627	2.6
161.05968	2.3
165.01782	4.0
165.05507	1.8
166.46706	0.7
169.01314	6.3
171.04486	0.7
177.01849	11.8
181.05011	4.3
185.05965	1.7
187.03912	2.5
191.03452	1.0
195.02940	1.2
199.03912	1.6
208.90617	0.7
213.05492	1.8
215.03404	0.8
225.05492	0.9
227.03563	1.7
227.07062	1.6
230.04993	0.7
241.04939	2.1
243.02864	1.6
253.03410	1.6
256.07278	2.4
271.02475	16.5
271.06073	100.0
271.22696	0.9
272.03415	1.1
272.06485	6.9
287.17435	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90149	0.7
57.03323	13.9
57.60014	0.7
60.94733	0.8
61.98962	0.6
69.47903	6.5
72.99183	4.6
81.03362	3.6
83.01286	2.9
93.03379	1.4
108.02068	2.1
109.02840	10.9
109.91740	0.9
111.00747	1.5
117.03421	1.4
119.04955	1.3
121.02852	1.9
123.04372	7.0
125.02334	100.0
126.02718	2.6
131.04967	0.9
135.04440	1.6
145.02856	22.6
146.03687	4.2
146.06064	0.9
148.07634	2.6
149.02371	6.2
157.06480	1.2
159.04422	11.0
161.02469	2.2
161.05971	11.0
162.05441	1.6
169.02910	1.0
181.04996	4.3
183.04530	3.7
184.05161	1.1
185.05978	6.7
187.03879	8.3
191.03455	0.9
199.03992	1.4
201.05627	2.4
203.07034	5.3
209.06178	1.4
211.04031	1.5
225.05635	1.4
227.07040	4.3
229.05020	1.4
230.02357	0.9
253.05212	6.0
256.03836	1.4
271.02377	1.6
271.06262	35.6
271.09348	1.3
271.14429	6.1
271.19354	2.7
271.22916	2.4
272.06573	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23478	2.3
59.01248	5.7
67.36336	2.5
69.45078	5.0
69.45491	19.2
71.01241	8.7
72.99175	75.0
73.02817	8.0
73.99472	2.1
75.00726	2.5
81.03364	2.4
87.00758	24.5
93.03342	40.6
95.01256	5.3
98.03979	2.9
98.19734	4.3
99.00739	8.2
101.02304	3.6
103.00255	20.0
108.02029	15.2
109.02837	100.0
119.04919	35.1
121.02829	9.9
123.00756	13.1
123.04405	86.9
135.04384	7.9
139.00259	2.8
139.03897	3.1
141.01868	2.9
142.70155	3.0
143.04558	5.2
147.04419	5.7
149.02362	6.4
149.73366	2.5
151.00273	15.2
151.03911	13.2
163.03912	17.8
165.05479	8.0
174.01572	6.0
179.03433	2.8
181.04976	57.5
182.05350	2.8
191.03352	10.6
195.02847	12.7
209.04439	8.2
225.72699	2.5
253.03491	42.4
257.48230	2.3
266.16754	2.4
271.04364	61.1
271.22675	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	271.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03321	2.3
51.57983	2.3
54.50946	2.2
55.65426	2.4
59.01228	4.4
71.36076	3.5
72.99178	47.6
76.38167	2.0
87.00748	2.7
87.64216	2.5
96.74110	2.0
99.00687	2.4
109.02831	67.9
121.02832	5.9
122.03619	5.9
123.04406	100.0
124.04717	2.7
124.22124	2.2
129.66833	2.2
135.04416	6.8
141.01033	2.4
145.02895	3.6
147.04390	3.1
149.02301	3.3
151.03883	8.1
159.03278	2.2
163.03961	3.5
176.29138	2.7
177.18327	2.3
181.04939	8.3
191.03421	4.5
214.80055	2.3
271.04575	14.3
279.26746	3.2
290.42725	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	271.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.0
58.00454	0.7
59.01248	2.3
68.99667	0.3
70.31161	0.6
70.31566	0.4
72.99176	40.9
73.99536	0.2
75.00741	0.9
81.03314	0.5
85.02821	0.3
87.00750	2.8
93.03329	0.9
95.01269	0.4
95.04895	0.5
99.00751	7.1
103.00242	4.7
105.03393	0.2
108.02049	0.7
109.02830	52.5
110.03184	1.5
117.03364	0.2
119.04903	0.5
121.02838	3.5
122.03633	2.2
123.04404	65.3
124.04745	2.3
129.03337	0.2
135.04407	2.2
137.02333	0.6
139.03925	0.2
145.02847	1.2
147.04417	3.3
149.00974	0.4
149.02335	1.7
150.03091	0.6
151.03909	6.9
161.02258	0.3
162.03081	0.5
163.03903	3.2
165.05484	3.3
173.02335	1.0
174.03047	0.3
177.01816	0.6
179.03430	1.8
181.04977	50.2
182.05341	2.1
189.01843	1.0
191.03419	12.9
192.03702	0.4
195.02911	15.3
196.03270	0.7
197.04526	1.2
209.04495	7.6
210.04868	0.6
226.58188	0.2
227.05550	0.7
235.02429	2.9
253.03503	15.1
254.03819	0.8
271.04568	100.0
272.04916	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	271.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72535	1.6
58.00483	2.4
59.01233	3.6
70.43925	7.3
71.01248	3.0
72.99178	41.4
75.70607	1.9
87.00743	8.4
93.03333	11.7
99.00745	3.8
103.00233	5.9
108.02045	5.1
109.02123	3.6
109.02833	47.1
121.02841	5.7
122.03613	2.7
123.04401	75.1
135.04399	6.2
147.04367	3.9
151.03893	6.8
163.03893	6.1
165.05489	6.4
175.53859	2.1
179.03407	2.3
181.04982	50.6
182.05310	2.2
191.03421	10.0
195.02930	15.7
197.04491	2.2
209.04518	8.8
253.03513	22.8
271.04572	100.0
272.04843	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	271.0245
Annotation	QUINALIZARIN
Peak:m/z	Relative Intensity
53.61454	0.1
58.11095	0.1
63.02266	0.5
65.00185	0.7
68.50428	0.1
69.38805	1.0
72.99163	0.3
91.01785	0.2
95.01276	0.1
99.57169	0.1
103.00236	0.2
105.03347	0.2
107.01261	0.6
108.02027	0.2
109.02831	1.4
115.05405	0.4
116.51920	0.1
117.03339	0.2
119.04932	0.2
123.04447	0.7
125.02342	0.2
127.05421	0.4
129.03360	0.3
131.04913	0.4
133.02855	2.2
135.00746	0.3
141.48929	0.1
143.04922	1.8
145.02864	0.5
146.03505	0.1
147.04402	0.5
151.00272	0.4
153.03317	0.1
154.04167	0.2
155.04947	1.0
157.02859	1.1
159.04405	0.8
161.02406	0.3
161.06026	0.2
163.03928	0.4
169.02859	0.2
170.03641	0.3
171.04436	4.1
172.04765	0.2
173.02339	1.0
175.03926	1.1
181.05005	0.3
182.03609	0.5
183.04425	1.0
185.02388	0.6
187.03923	1.6
188.04294	0.2
189.05336	0.2
191.36032	0.1
197.02411	0.7
198.03166	1.2
199.03943	6.9
200.01085	0.3
200.04291	0.5
201.01874	2.5
202.02531	0.5
203.03462	2.1
204.03835	0.2
210.63109	0.1
213.01862	0.2
214.02621	0.4
215.03445	6.0
216.03816	0.4
217.15819	0.1
225.01898	0.4
226.02644	1.3
227.03444	6.1
228.00620	0.3
228.03824	0.4
229.01357	2.5
241.01437	0.2
242.02153	1.6
243.02954	8.5
244.03264	0.4
253.01364	0.3
253.03629	0.2
255.02892	0.7
270.01697	0.3
271.02460	100.0
272.02856	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	269.0454
Annotation	Apigenin
Peak:m/z	Relative Intensity
54.51686	0.2
59.47682	0.2
63.02262	1.6
65.00191	3.4
69.57179	1.4
83.01259	2.0
87.04383	3.3
91.29319	0.2
93.03327	0.4
98.19823	0.4
105.03336	1.0
107.01266	6.4
107.83282	0.2
108.01567	0.3
109.02798	0.4
117.03342	25.0
118.03679	0.8
121.02831	1.9
137.02396	0.2
139.03879	0.2
148.01543	0.3
149.02341	9.4
150.02641	0.4
151.00270	11.1
152.00612	0.6
155.04913	0.3
159.04446	2.2
169.01295	0.5
169.06479	0.4
175.76056	0.2
180.05727	0.6
181.06517	1.8
183.04427	1.4
185.02328	0.5
192.52478	0.2
195.98688	0.3
197.06039	0.7
201.05562	1.6
207.17397	0.2
207.19286	0.2
207.69496	0.2
224.04774	0.5
225.05525	4.3
225.14891	0.9
226.05745	0.4
227.03442	2.3
241.04984	0.4
269.04535	100.0
269.17569	1.7
269.20657	1.1
269.24600	0.4
270.04880	6.6
279.89621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1757
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
53.35702	0.3
57.03320	4.0
59.01245	1.0
65.94700	0.4
69.03316	0.4
69.48153	1.4
69.48576	1.3
71.01254	0.8
71.04890	3.2
71.15979	0.3
72.02023	1.7
72.99174	3.7
73.02804	0.5
82.00999	0.3
83.04900	0.4
84.98679	0.4
84.99147	0.8
85.02816	1.8
85.99972	0.4
87.00743	0.5
87.04385	100.0
88.04711	1.2
99.04394	4.8
100.98676	1.7
101.05931	0.8
103.00249	3.7
109.02831	1.3
123.08094	0.6
125.09641	0.9
137.09619	1.4
146.99248	2.7
149.36726	0.4
181.12143	0.4
189.16400	0.8
191.14330	0.5
207.17453	7.0
208.17712	0.4
209.15364	1.4
223.16862	0.6
245.53131	0.4
251.16336	0.7
269.04663	2.2
269.17563	47.8
269.20840	2.1
270.17831	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	269.03
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	9.0
65.03824	5.1
68.42514	1.3
70.20333	4.5
70.73676	1.3
71.01252	7.3
72.61549	1.3
72.99171	6.3
81.03317	7.5
93.03337	6.8
103.00243	39.9
108.02048	2.0
109.02829	100.0
110.03191	3.1
114.98629	1.3
117.03342	2.5
121.02848	17.2
123.04390	3.3
125.02350	1.9
135.04393	1.6
136.92534	1.2
145.02843	5.8
146.99225	2.6
151.03915	1.8
162.80716	1.4
163.03864	10.2
181.04971	4.2
189.01814	1.7
269.03024	2.0
269.21146	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	267.0719
Annotation	2-O-(alpha-D-Glucopyranosyl)-D-glycerate
Peak:m/z	Relative Intensity
57.03311	2.7
59.01246	14.4
59.76971	0.8
65.30585	0.8
68.47786	0.8
68.84608	0.8
70.91122	2.2
71.01246	19.7
72.99174	2.4
73.02815	1.1
75.00743	9.5
78.95773	1.5
79.43942	0.9
85.02334	1.7
85.02818	20.8
85.03342	1.1
87.00743	9.8
89.02305	6.6
95.01250	2.9
99.00757	4.7
100.89606	0.9
101.02319	1.6
103.00235	2.6
105.01776	2.0
112.48116	0.8
113.01519	1.6
113.02322	31.8
115.00275	1.2
117.01831	2.2
129.01816	1.8
137.94742	0.8
175.02380	1.9
237.06110	1.0
249.06143	5.8
267.07190	100.0
268.07587	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	269.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11370	1.2
59.01248	13.4
65.03826	3.5
71.01255	5.9
71.36086	3.1
72.99180	3.5
75.27061	1.3
81.03333	6.8
93.03335	8.9
95.01257	3.4
101.21346	1.1
103.00251	29.1
107.04906	1.7
108.02052	1.6
108.50493	1.0
109.02832	100.0
110.03187	2.2
113.38374	1.2
115.00240	1.8
117.03362	3.5
121.02842	19.5
123.00758	10.9
123.04419	7.7
124.01585	9.7
125.02343	5.0
126.43074	1.2
135.04361	2.7
137.02347	4.1
138.03085	1.4
145.02859	3.7
146.99275	1.7
151.03958	2.8
163.03925	8.8
181.04990	9.8
197.04446	3.9
203.40196	1.1
205.81937	1.2
269.02899	6.1
269.21210	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	264.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66145	1.6
65.41750	1.6
70.02853	22.4
71.01263	5.5
71.35454	1.7
71.35786	1.7
72.00762	1.7
91.05431	3.2
96.99186	4.8
99.60303	1.6
114.01853	100.0
115.02192	1.9
117.03342	8.4
129.01875	2.9
134.06015	25.8
139.13547	1.4
140.00473	1.4
142.26843	1.4
144.08084	2.2
146.04500	3.8
153.08792	2.1
160.07561	3.6
181.93700	1.5
188.07108	3.6
205.11894	1.6
232.06131	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	265.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08012	0.2
59.01252	0.4
61.66881	0.2
79.95585	1.8
95.95125	0.6
96.95885	100.0
97.95808	0.3
98.20611	0.4
109.75358	0.2
116.52153	0.2
165.30592	0.2
185.33159	0.3
265.14767	76.2
266.15088	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	267.0661
Annotation	7-HYDROXY-2'-METHOXYISOFLAVONE
Peak:m/z	Relative Intensity
59.01245	0.8
65.00188	0.8
70.85684	0.3
71.01243	0.7
74.31006	0.3
77.03405	0.4
77.03835	5.6
79.01768	4.2
85.02787	0.4
89.02314	0.4
93.03345	0.3
97.02790	0.3
101.02323	0.7
103.01759	0.5
106.19475	0.2
109.02777	0.2
113.02312	0.2
117.03394	0.3
119.04910	1.5
121.02850	3.0
134.03667	0.5
137.02283	0.3
143.04918	2.5
145.02856	4.1
153.06940	0.3
155.04970	0.3
157.06479	0.7
160.42703	0.2
161.02422	0.3
161.04446	0.3
163.00247	0.4
165.01830	2.7
167.08615	1.1
179.08598	0.2
180.05699	0.6
181.06482	2.6
193.06580	0.4
195.08073	0.9
223.07571	3.6
224.04718	0.3
224.07895	0.5
239.07111	0.7
247.82372	0.2
265.05066	0.7
267.06604	100.0
268.06943	8.1
274.09503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0222
Annotation	D-Galactose 6-phosphate
Peak:m/z	Relative Intensity
61.27752	0.2
62.96264	0.2
70.88055	0.5
71.01244	0.4
78.95770	100.0
96.96834	72.0
101.02312	0.6
115.48272	0.2
127.07513	0.2
138.97902	3.3
168.98972	1.4
198.90446	2.3
199.00018	1.4
199.90521	0.3
214.93605	1.0
215.74695	0.2
223.00156	0.2
240.91537	1.8
241.01100	0.9
258.92758	1.2
259.02216	18.4
260.02539	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67600	3.1
57.03327	4.5
58.33096	2.9
59.01249	3.5
69.03321	7.7
70.02847	7.2
71.01248	10.5
71.56234	3.9
72.99182	4.4
73.02811	4.0
75.00722	3.1
78.95757	6.2
85.02819	48.4
87.00733	11.1
87.04395	7.2
89.50105	2.8
94.02840	4.4
96.00776	4.1
96.04424	100.0
97.02822	8.7
97.85264	3.8
98.02422	4.0
99.00723	7.5
101.02363	3.3
111.00729	3.6
112.03918	5.3
112.72602	3.0
113.02325	3.5
115.03857	5.2
119.41030	3.0
128.03418	7.5
129.01828	15.1
142.01353	26.1
145.01321	3.4
156.57852	4.5
158.04507	18.2
172.02397	5.4
202.03464	4.4
262.05682	6.4
266.86887	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	263.1288
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
53.77675	1.3
55.01765	2.4
57.03321	4.0
59.01241	3.5
66.91666	1.3
70.15151	3.6
70.15564	3.5
71.01251	8.5
73.02821	2.7
73.56765	1.5
76.94564	1.3
79.05393	2.4
79.98539	1.2
83.04881	3.5
85.02808	3.4
93.07024	2.3
95.04878	2.1
97.02822	9.2
105.06959	4.0
107.04918	2.5
108.05683	6.4
109.02813	9.4
109.06477	3.8
111.04404	17.7
111.08006	2.9
113.05977	11.4
119.08525	7.5
121.06439	3.2
122.03607	18.1
123.04373	1.7
123.08049	6.9
124.05199	2.6
125.05965	20.1
127.51222	1.6
135.08031	4.5
136.05191	22.5
137.06038	6.9
137.09576	1.4
138.06769	22.3
139.07552	39.1
145.84132	1.4
148.05220	11.8
149.05984	4.8
151.03944	2.3
151.07555	81.0
152.04697	7.0
152.08342	41.0
153.09134	14.9
159.11684	4.5
161.09607	9.5
163.07564	14.8
164.01169	1.5
164.08354	1.7
167.07030	4.4
170.05782	2.3
171.08064	1.9
175.07536	3.5
175.11124	1.6
185.09596	2.6
186.10422	2.1
188.08363	2.4
189.09154	8.5
189.12750	2.0
201.12787	32.5
203.10701	30.3
204.11481	75.8
205.11786	5.9
219.13847	100.0
220.14108	6.4
263.12872	9.1
275.54193	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	257.0817
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
59.01239	1.1
65.03815	4.0
66.52022	1.0
71.57959	1.0
83.04893	2.2
91.39012	0.9
93.03318	11.4
100.45597	1.0
105.56583	0.9
106.04111	18.1
107.04908	48.5
108.02061	11.2
109.02830	2.2
111.04405	1.2
119.04898	1.5
121.02850	11.2
138.03101	3.0
151.03923	24.9
152.04288	1.4
163.04021	1.0
171.08046	1.2
195.17529	1.4
198.89807	1.0
203.97264	1.2
213.09143	70.9
214.09470	5.8
231.87978	1.1
238.22510	1.1
256.23618	8.0
257.08154	100.0
257.13785	2.8
257.17410	2.2
257.23914	3.8
258.08469	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	257.0818
Annotation	2,2-Bis(4-hydroxyphenyl)-propanoic acid
Peak:m/z	Relative Intensity
65.03837	1.4
74.02330	3.5
79.01790	0.9
83.04877	1.1
92.46500	0.6
93.03339	7.8
95.01271	0.9
98.64104	0.7
106.04116	20.6
107.04912	44.2
108.02052	10.7
108.05224	1.6
109.02827	1.5
119.04920	1.2
121.02831	9.1
138.03119	3.1
139.01808	0.6
165.05432	0.9
169.06500	1.8
171.08086	2.3
179.11829	4.6
211.10864	0.8
213.09145	69.3
214.09415	4.9
223.10797	2.0
229.87404	0.9
256.23615	1.8
257.08160	100.0
257.23734	1.4
258.08514	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	258.0531
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99113	0.6
65.00188	2.1
67.01759	2.1
68.99700	1.1
71.01253	2.4
71.57841	1.0
72.99179	2.9
79.01775	2.2
83.01231	1.9
84.01825	0.8
87.00760	1.1
95.01255	3.4
96.99172	1.3
97.02850	0.8
99.00758	0.8
106.00493	1.2
106.04121	19.1
107.04417	0.7
107.04929	7.2
108.02046	14.9
109.99989	2.0
111.00758	19.5
116.09812	0.7
123.00762	25.7
124.01550	6.3
127.00246	5.9
136.98703	11.4
138.03122	4.7
139.00267	59.7
140.01050	100.0
141.01820	4.2
151.00275	28.3
151.01506	1.4
152.00601	0.8
154.99800	2.4
159.04411	0.8
172.05070	0.7
186.06328	1.3
197.45155	0.7
214.05994	1.0
229.08337	0.8
257.23895	0.9
258.05304	19.4
258.07974	0.8
259.06073	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	255.0504
Annotation	PISCIDIC ACID
Peak:m/z	Relative Intensity
58.00471	2.3
59.01249	1.4
62.56149	1.0
62.64841	1.0
66.12881	1.0
71.07865	2.5
72.99175	27.6
73.01829	1.0
75.00769	0.9
76.33219	1.0
87.00743	1.2
93.03309	8.5
107.04900	24.8
119.04880	8.9
121.02828	3.0
131.04924	4.2
132.06581	1.0
133.02843	8.2
134.03210	1.2
135.04425	3.6
147.04422	13.1
149.05952	8.0
155.07283	0.9
163.03902	1.4
165.05473	99.0
166.05803	5.8
175.03928	3.0
179.03401	21.2
180.03688	1.2
181.04988	4.9
193.04991	18.2
194.05251	1.1
211.05960	1.6
219.02971	2.6
237.03996	8.6
255.05067	100.0
255.23277	12.0
256.05444	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	256.1916
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
59.01261	0.4
72.04411	0.7
72.99187	0.4
74.02345	100.0
75.02679	0.8
76.08237	0.2
84.04420	1.0
89.32375	0.2
92.93920	0.2
100.61450	0.2
102.33725	0.2
124.19604	0.2
165.05417	0.2
166.05800	0.5
188.63060	0.2
194.05345	0.3
210.18669	0.3
212.20132	4.1
213.20471	0.2
219.84561	1.4
229.32285	0.3
256.05524	0.6
256.19174	38.5
256.23413	10.9
257.19522	3.3
257.23773	0.4
260.08682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0507
Annotation	PISCIDIC ACID
Peak:m/z	Relative Intensity
53.13454	0.6
58.00462	1.3
59.01259	0.8
67.31139	0.6
67.40988	0.6
69.95452	3.8
72.99176	25.5
74.37051	0.6
75.00738	1.6
79.23405	0.7
87.00734	0.9
93.03330	4.1
97.60400	0.6
99.00750	1.6
102.19673	0.6
106.04130	1.5
107.04904	6.6
108.02082	1.1
121.02866	1.6
131.12955	0.8
133.02834	2.8
135.04398	1.2
147.04443	2.3
149.05983	8.4
160.24757	0.6
163.03954	2.5
165.05478	93.8
166.05815	4.0
175.03883	2.2
179.03412	30.1
180.03780	1.7
181.05002	1.0
188.03587	0.8
193.04988	25.6
193.06790	1.3
194.05374	1.2
209.04472	2.8
211.06046	2.2
252.98254	0.7
255.05064	100.0
256.05380	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	255.0506
Annotation	PISCIDIC ACID
Peak:m/z	Relative Intensity
53.41965	0.8
53.73969	0.7
58.00454	1.6
59.58345	0.7
69.52612	4.5
69.53027	1.8
72.99178	26.3
75.00746	1.1
75.89223	0.8
87.00719	1.1
93.03329	4.0
99.00735	2.2
107.04903	6.4
119.04877	1.9
121.02866	1.3
127.79294	0.7
132.97876	0.7
133.02843	2.7
135.04431	1.5
147.04523	1.4
149.05978	7.3
163.03912	2.2
165.05486	96.9
166.05794	3.5
175.03899	2.6
179.03410	29.8
182.13774	0.8
193.04999	27.9
194.05330	2.2
209.04446	1.9
211.06100	1.7
213.04054	0.9
242.68420	0.7
246.91415	0.9
255.05069	100.0
256.05356	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	253.0926
Annotation	3-beta-D-Galactosyl-sn-glycerol
Peak:m/z	Relative Intensity
50.98605	1.5
59.01248	100.0
63.12551	1.5
69.37044	1.4
71.05095	2.5
71.05427	2.3
73.02819	2.1
87.00696	1.5
101.02319	5.4
113.02314	1.9
161.04472	8.3
178.44650	1.3
193.07106	31.5
199.77908	1.2
216.53407	1.5
230.85916	1.5
230.93610	1.3
253.09282	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	255.0292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00435	0.4
59.01232	0.4
60.42445	0.2
63.02254	0.3
65.00181	0.4
72.99176	4.7
91.01760	0.2
93.03329	1.4
98.20528	0.6
105.93967	0.2
107.01289	0.3
107.04913	1.5
117.03331	3.1
118.03552	0.2
119.04925	0.3
121.02849	0.3
131.04813	0.2
133.02834	0.8
135.00711	0.2
135.04378	0.3
139.05412	0.6
141.03362	1.0
143.04922	0.7
147.04416	0.6
149.05963	0.7
154.04073	0.3
155.04910	1.8
157.02779	0.3
159.04442	0.9
163.03874	0.3
165.05478	6.8
166.05798	0.4
167.04904	1.9
169.02892	0.5
171.04411	1.3
173.05983	0.3
179.03398	1.8
181.02815	0.4
182.03644	2.0
183.04424	7.1
184.04749	0.4
185.02359	1.6
187.03922	2.1
193.04958	1.6
198.03127	0.2
199.03889	2.1
210.03194	1.6
211.03932	8.7
212.01106	0.2
212.04214	0.6
213.01855	3.0
226.02699	1.2
227.03435	16.6
228.03795	0.8
249.46661	0.2
254.02075	0.4
255.02933	100.0
255.04994	4.8
255.23232	4.0
256.03403	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	255.0292
Annotation	Purpurin
Peak:m/z	Relative Intensity
58.00435	0.4
59.01232	0.4
60.42445	0.2
63.02254	0.3
65.00181	0.4
72.99176	4.7
91.01760	0.2
93.03329	1.4
98.20528	0.6
105.93967	0.2
107.01289	0.3
107.04913	1.5
117.03331	3.1
118.03552	0.2
119.04925	0.3
121.02849	0.3
131.04813	0.2
133.02834	0.8
135.00711	0.2
135.04378	0.3
139.05412	0.6
141.03362	1.0
143.04922	0.7
147.04416	0.6
149.05963	0.7
154.04073	0.3
155.04910	1.8
157.02779	0.3
159.04442	0.9
163.03874	0.3
165.05478	6.8
166.05798	0.4
167.04904	1.9
169.02892	0.5
171.04411	1.3
173.05983	0.3
179.03398	1.8
181.02815	0.4
182.03644	2.0
183.04424	7.1
184.04749	0.4
185.02359	1.6
187.03922	2.1
193.04958	1.6
198.03127	0.2
199.03889	2.1
210.03194	1.6
211.03932	8.7
212.01106	0.2
212.04214	0.6
213.01855	3.0
226.02699	1.2
227.03435	16.6
228.03795	0.8
249.46661	0.2
254.02075	0.4
255.02933	100.0
255.04994	4.8
255.23232	4.0
256.03403	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	250.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	1.2
69.73653	2.3
70.02855	0.8
71.01253	6.8
88.03912	82.8
89.04256	1.2
91.05411	1.7
102.24780	0.4
106.00328	0.3
114.01854	5.9
115.00253	15.5
116.00586	0.4
132.02917	100.0
133.03304	1.9
134.05981	0.7
135.04417	4.2
135.76913	0.5
136.03236	0.4
173.03450	0.3
181.35245	0.3
206.08122	2.0
232.06096	0.4
235.08388	2.1
250.07167	17.7
250.10809	0.9
250.14404	1.9
251.07538	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	253.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55777	1.3
53.81808	1.4
54.03858	1.8
59.01248	100.0
69.51494	2.9
69.51894	10.5
71.01259	4.3
72.99165	3.4
73.02796	2.0
85.02812	2.7
87.00728	3.2
93.03328	10.5
97.02810	2.1
98.20470	3.3
99.00748	1.7
101.02282	2.1
103.00194	1.6
107.67047	1.4
108.02029	1.8
119.17858	1.5
161.04395	5.0
163.03836	2.3
170.27872	1.5
189.01855	1.8
191.03464	3.9
193.07101	9.2
200.83257	1.3
253.03452	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	253.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	100.0
60.17037	4.5
65.77997	3.8
66.31912	4.4
70.71587	12.8
126.29369	5.2
142.91621	4.0
157.39719	4.3
193.07089	15.6
219.59052	4.1
232.22086	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	2.1
68.44678	1.0
71.37972	2.0
90.54751	0.9
92.88615	1.0
98.78713	1.1
113.05981	1.2
127.07532	5.9
149.09682	1.2
151.11215	2.2
161.13245	1.4
167.06802	2.1
167.10748	1.4
169.08359	1.5
179.10692	1.1
181.12265	23.5
182.12592	1.4
183.13786	1.2
184.75983	1.1
189.05243	1.8
201.08945	3.5
203.06689	1.1
203.10461	9.7
205.08517	1.6
205.12177	2.3
207.09921	1.4
215.06876	1.2
217.08401	2.7
219.10040	5.8
221.11470	6.6
222.08034	1.6
223.13092	65.1
224.13449	4.5
233.07910	6.1
235.09496	12.9
236.10002	1.5
237.11049	21.1
238.11169	1.3
241.14166	1.6
249.11057	82.5
249.15135	4.6
250.11354	7.9
250.14502	4.6
263.08868	1.1
265.10547	16.1
266.10956	1.4
267.12109	100.0
268.12558	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	250.0718
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
59.01240	1.1
60.23104	0.4
69.54933	3.0
69.55340	1.0
70.02856	0.6
71.01251	7.0
88.03909	91.5
89.04223	1.1
91.05403	2.6
100.01538	0.5
104.04360	0.4
104.89434	0.4
114.01846	5.1
115.00250	15.1
127.15800	0.5
132.02913	100.0
133.03262	1.8
134.06004	0.5
135.04407	4.1
171.27164	0.5
206.08136	1.6
222.91685	0.4
232.06065	0.6
250.07162	13.5
251.07460	0.8
258.79099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1597
Annotation	1,11-Undecanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03315	2.1
60.82612	0.6
69.03333	0.9
71.57822	0.9
99.72630	0.6
107.21820	0.6
121.07346	0.5
123.12261	0.6
143.04887	1.3
153.12750	1.2
165.12778	1.5
169.67656	0.5
171.04419	0.9
179.14284	1.2
181.12267	2.3
183.13812	8.7
197.15413	8.4
198.03180	1.1
198.80043	0.6
199.03938	4.6
200.04245	1.0
201.01807	1.1
241.14394	0.7
243.02971	9.1
243.15981	100.0
244.16287	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	246.098
Annotation	Valinopine
Peak:m/z	Relative Intensity
53.58586	2.7
57.53064	2.8
59.64452	3.1
61.86806	2.8
71.01244	25.8
71.04861	3.4
74.02341	100.0
75.00758	4.0
88.03909	77.4
92.23830	3.1
115.00260	43.0
130.08629	81.4
131.07025	68.9
174.03220	2.8
175.03996	3.8
202.10773	75.1
214.81865	3.0
228.08862	5.5
246.09802	99.7
246.14955	9.2
247.02531	3.2
247.09880	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	247.17
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
52.88158	0.1
56.66695	0.1
82.67107	0.1
86.02140	0.1
90.81610	0.1
121.02856	0.2
130.47528	0.1
165.01857	0.2
179.07030	0.2
184.00099	0.4
186.95380	0.1
204.15071	0.1
205.15895	0.4
220.16988	1.2
231.13861	0.7
232.14336	0.1
247.16992	100.0
248.08054	0.3
248.17323	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	242.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01240	2.4
61.11809	0.7
63.47411	0.8
70.02853	1.5
71.01250	8.3
71.58141	1.3
78.10306	0.8
79.84264	0.7
84.87938	1.0
88.03910	100.0
89.04259	2.3
92.25706	0.7
96.99164	1.0
108.84955	0.8
114.01849	7.4
115.00248	14.3
126.09131	2.4
127.02931	0.8
127.07523	11.1
132.02917	65.4
143.04900	1.1
144.42349	1.0
162.96936	0.8
180.16687	0.9
184.36334	0.8
186.06824	1.0
198.03145	1.8
198.11256	3.1
199.03967	8.7
200.59872	0.9
201.11177	1.6
214.06339	1.2
224.09314	1.4
235.52554	0.8
242.02065	1.0
242.10294	25.8
243.03014	6.9
243.06534	1.2
243.10391	4.1
243.15933	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	239.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87522	13.0
59.01252	100.0
69.52328	37.2
69.52744	83.7
79.18385	16.1
85.02837	24.1
87.00734	22.6
96.47369	14.1
96.95919	24.2
114.52785	13.8
125.02325	18.2
161.04471	32.7
168.11505	14.0
179.05528	61.7
180.02940	19.0
195.06775	13.4
221.06645	40.1
239.05591	25.0
239.07732	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1441
Annotation	Annuionone F
Peak:m/z	Relative Intensity
57.03321	1.7
59.01235	2.0
60.23357	1.0
60.99177	12.8
64.82338	1.1
69.03336	1.5
69.71160	6.3
75.07450	1.2
83.04906	10.1
95.04922	1.2
97.06464	1.2
101.35093	1.2
103.24939	1.1
109.06437	2.1
137.09587	2.7
151.11211	5.3
153.12752	38.0
154.13075	2.2
169.01248	1.9
171.13820	8.4
197.11768	31.0
198.12067	1.6
199.09709	1.6
241.14412	100.0
242.14703	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	241.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
57.03312	1.9
59.01238	2.0
61.51733	0.8
70.01007	4.1
70.57817	0.7
71.04894	1.1
75.71483	0.8
77.49387	0.7
79.95613	1.2
80.02542	0.8
81.03365	1.2
83.04883	4.2
87.38895	0.8
95.04904	1.6
97.06468	11.1
106.19687	0.8
111.08045	9.4
113.37317	0.9
137.09589	1.0
147.11690	0.9
163.11179	3.8
165.12755	100.0
166.13080	7.8
184.00096	5.9
197.15398	16.9
198.15714	1.4
209.11804	6.8
210.71260	0.8
241.05037	1.1
241.07236	5.4
241.10725	0.9
241.14551	4.2
241.18086	4.3
241.21672	5.4
241.57292	1.3
242.17592	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	239.0557
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
52.57839	1.9
56.71119	2.1
58.00459	8.0
59.01245	5.5
64.25275	2.7
65.43298	2.2
70.69646	6.0
72.99177	100.0
80.76993	1.8
81.50819	1.9
91.05400	72.1
91.05943	4.4
92.05766	4.5
115.05386	12.9
117.03347	26.4
127.51624	2.0
131.04935	12.4
133.06479	8.0
135.04373	3.3
147.04408	4.1
149.05978	62.0
150.06383	3.4
163.03952	14.6
177.05458	17.3
239.05592	36.9
240.05806	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	239.0557
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
51.71855	0.4
51.99178	0.4
57.22808	0.4
58.00473	2.6
58.02200	0.4
59.01256	3.3
70.33630	1.9
72.99178	62.5
73.99522	0.5
75.00753	1.6
82.73752	0.4
90.68017	0.4
91.05403	31.7
92.05762	1.3
103.00258	0.6
115.05402	5.6
117.03345	15.7
118.03696	1.0
119.04871	0.9
121.06485	0.6
131.04912	10.3
133.06473	10.5
135.04408	2.7
147.04408	2.8
149.05977	100.0
150.06319	6.6
159.04437	1.3
163.03914	26.3
164.04234	1.5
165.05460	1.2
177.05481	22.9
178.05833	1.7
193.04906	0.8
195.06540	0.8
239.05563	25.3
240.05811	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	7.4
59.96580	0.6
70.97752	0.9
72.99178	5.0
73.02830	0.3
74.98945	9.3
75.96081	0.4
83.05295	0.4
87.00757	1.5
91.02083	11.5
91.05410	2.1
93.00008	7.0
117.03391	1.6
131.04947	0.7
133.06482	0.6
135.04366	0.3
149.00870	5.4
149.05995	7.8
150.06351	0.5
161.04424	1.5
163.03918	2.5
177.05447	1.9
179.05522	6.0
206.99632	3.1
208.97464	0.3
223.02779	100.0
224.02823	11.6
233.24318	0.3
233.26997	0.4
239.05511	4.5
239.64085	0.4
241.03819	2.8
242.04074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1542
Annotation	Confertifoline
Peak:m/z	Relative Intensity
59.01254	2.8
68.52962	0.1
70.43474	0.6
115.28720	0.2
167.62593	0.2
188.98466	0.2
217.12227	0.3
233.15413	100.0
234.15753	12.1
250.12047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79993	0.2
56.35231	0.2
59.01244	0.7
61.98718	0.3
71.27036	0.4
104.85961	0.2
107.37624	0.2
111.17651	0.2
134.03600	0.7
135.04399	0.6
136.05203	0.5
140.61029	0.2
148.05194	9.5
149.05649	0.7
149.09604	1.3
149.93744	0.2
150.15842	0.2
159.08060	0.2
162.06746	0.4
163.79730	0.2
175.07477	0.4
176.08315	0.8
177.09122	47.6
178.09480	2.8
180.07866	0.2
190.09894	1.4
191.10681	0.9
192.11476	32.0
193.11893	3.0
201.09224	0.6
203.07042	0.6
206.09427	0.2
217.08641	3.8
218.09413	8.0
219.09753	0.8
224.10492	0.3
236.10490	100.0
236.64000	0.2
237.10880	10.0
247.37949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0611
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03326	2.5
59.01249	4.8
69.51160	0.3
69.61638	2.7
71.01256	4.4
72.99167	1.2
73.02795	0.5
75.00744	15.4
78.95774	9.5
80.96368	0.4
83.01249	0.5
85.02823	3.7
87.00748	100.0
88.01088	1.7
88.49685	0.3
89.02314	1.5
95.01247	0.5
96.96841	0.7
99.00771	0.6
101.02337	2.0
111.00746	0.5
113.02316	0.9
117.01803	0.5
119.03362	0.6
129.01826	10.9
130.02139	0.4
147.02902	0.9
151.93669	0.4
153.66898	0.4
194.93655	0.5
208.20116	0.4
219.04944	0.5
237.06096	10.9
238.06364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1022
Annotation	Fraxinellone
Peak:m/z	Relative Intensity
54.21172	0.2
59.01233	1.1
60.73300	0.3
69.03320	0.5
70.98685	0.6
82.03922	0.2
109.02879	0.3
125.09582	0.4
130.04126	1.0
132.05487	0.3
134.03481	0.4
135.04424	0.3
146.03595	0.8
147.04286	0.3
151.07587	0.7
158.03606	2.1
159.04428	2.7
159.08020	0.4
172.05200	10.8
173.05971	4.0
174.03108	0.5
174.06516	0.5
175.07587	0.4
186.03203	0.3
187.04112	3.3
187.07561	100.0
188.04520	0.3
188.07903	8.0
189.09138	0.3
197.06056	0.5
201.03595	0.4
201.05499	12.1
202.06268	19.7
203.03427	0.3
203.06613	2.2
203.10648	0.8
204.04190	2.6
204.07440	0.3
205.04585	0.3
213.09149	1.0
216.04266	0.3
216.07861	0.8
231.06473	1.0
231.10222	24.1
232.10529	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	233.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03312	3.6
59.01245	29.0
63.10425	2.7
70.14780	13.0
71.01243	11.8
76.23459	3.4
83.01254	3.6
99.00777	3.4
111.00799	6.4
124.36482	2.7
129.01779	5.8
136.61002	2.6
150.98419	2.8
173.04497	3.9
233.15427	100.0
234.15750	6.6
238.27687	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68346	23.9
59.01254	75.8
71.01270	53.2
71.56510	39.7
115.78477	27.6
141.61572	22.2
233.15439	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	228.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58098	0.7
59.01237	1.2
60.69893	0.7
69.50729	2.0
69.51150	3.4
70.02840	1.2
71.01250	8.6
76.32967	0.7
83.25204	0.8
88.03910	100.0
89.04253	1.2
90.68884	0.7
96.99206	1.7
112.07558	2.2
113.05971	6.7
114.01847	7.0
115.00257	13.8
126.45624	0.8
132.02913	57.3
133.03226	1.2
135.33307	0.7
184.09691	2.6
188.98540	0.8
217.12465	0.8
228.08702	15.8
229.08920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97916	0.8
55.97389	0.7
59.01239	1.3
69.48788	7.0
70.02834	1.0
71.01251	8.5
88.03909	100.0
89.04240	1.7
96.99199	1.3
112.07584	2.6
113.05956	8.8
114.01852	6.5
115.00256	13.2
132.02910	57.0
133.03218	2.3
157.05048	0.9
184.09709	2.2
210.07692	0.8
228.08734	15.9
229.05011	2.1
229.08749	2.3
229.14458	1.3
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	Cladospolide B
Peak:m/z	Relative Intensity
53.36431	0.3
55.56803	0.3
57.03329	0.4
59.47579	0.3
64.13638	0.4
68.57918	0.3
69.50137	1.2
69.50564	2.0
71.04888	0.8
74.04733	0.3
80.02547	1.8
81.03319	2.2
83.01258	0.8
83.04892	6.3
84.02032	4.0
95.04906	0.9
97.06451	0.5
106.04015	0.6
109.28403	0.4
125.05946	1.2
125.09605	0.5
127.11213	0.4
130.37135	0.4
132.05579	0.3
135.08029	1.1
136.05011	0.4
139.11148	0.5
139.46075	0.4
163.11201	5.3
165.12776	3.7
181.12224	0.7
183.13817	0.5
191.10704	1.5
199.13339	1.0
201.07828	0.9
209.11763	100.0
210.12115	9.4
227.03384	1.1
227.07173	1.0
227.09332	0.5
227.12872	4.7
227.16383	0.8
227.20097	1.8
228.03894	0.5
238.50249	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0336
Annotation	(R)-4-Phosphopantoate
Peak:m/z	Relative Intensity
61.02415	0.1
61.67200	0.1
65.01329	0.2
69.50038	1.0
73.67509	0.1
74.02331	0.3
87.43665	0.1
89.03868	0.5
91.02897	0.1
91.71662	0.1
117.03374	0.5
127.05423	0.2
129.03334	0.9
130.08667	0.3
139.05428	1.4
139.11198	1.0
140.05780	0.2
141.03383	0.4
142.04004	0.1
143.03745	0.1
143.04922	0.5
145.06494	0.3
147.04436	0.7
154.04128	0.7
155.04918	2.4
157.02866	1.2
157.05057	0.1
158.03412	0.2
159.04449	0.5
159.06642	0.1
171.04422	1.3
173.02394	0.1
173.06006	0.2
174.06906	0.1
181.02821	0.3
182.03644	11.2
183.04427	23.3
183.13809	0.2
184.04759	1.8
185.02357	11.3
186.02736	0.9
198.03178	0.2
199.03880	1.0
199.13266	0.2
208.85777	0.1
209.02513	0.2
209.11786	0.5
211.03790	0.1
212.01041	0.2
226.02673	1.5
227.03436	100.0
227.12608	1.4
227.20103	0.6
228.03787	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	227.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37944	0.2
55.01748	0.3
59.01245	0.3
69.53512	0.4
69.53921	1.4
71.04892	0.5
80.02559	1.7
80.82804	0.3
81.03318	1.6
83.01267	0.4
83.04895	6.5
84.02040	3.4
95.04890	0.8
97.06438	0.6
98.19788	0.5
101.32355	0.2
102.27146	0.3
109.06457	0.3
117.60345	0.2
125.05963	0.7
125.09600	0.3
127.11228	0.4
135.08037	0.8
153.12720	0.4
155.14371	0.2
163.11198	4.8
164.11533	0.4
165.12750	3.5
166.13229	0.3
181.12245	0.7
183.13831	0.3
191.10669	1.4
209.11763	100.0
210.12114	8.6
227.03439	0.5
227.07097	0.5
227.12808	3.6
227.20183	0.8
228.13110	0.3
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
54.50060	0.2
57.03326	0.7
62.76189	0.2
69.03328	0.2
69.23109	0.2
71.35497	0.5
83.04927	0.2
97.06512	0.2
111.08043	0.7
136.76855	0.2
144.11420	0.2
158.59492	0.2
165.12759	18.9
166.13120	1.1
181.12248	0.3
182.36034	0.2
183.13826	100.0
184.14178	8.0
184.15871	0.4
191.10722	0.3
203.82346	0.2
209.11739	1.7
227.12842	15.6
227.20035	0.3
228.13084	1.3
244.98462	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94854	0.7
57.03322	40.1
58.03662	1.4
59.01236	2.7
67.21604	0.7
69.03317	6.6
69.38489	6.6
71.04893	10.5
73.03560	0.8
81.03318	1.1
83.04902	2.2
89.02433	0.8
91.05418	0.8
91.49871	0.7
95.04895	1.0
97.02839	1.3
97.06454	1.9
98.90539	0.7
109.06503	5.5
121.06455	3.2
121.10117	2.6
123.04366	0.8
123.08033	11.1
125.09615	2.3
135.04416	1.3
135.08095	1.8
137.09618	33.8
138.09921	1.7
147.08054	2.0
151.07538	1.9
151.11183	13.4
153.09108	1.4
153.12746	18.2
163.11200	11.5
164.11534	0.8
167.10612	0.7
179.10677	1.4
179.14355	5.6
181.12276	13.4
189.12781	2.1
191.10689	1.1
195.13838	24.8
196.14229	1.7
197.15398	25.7
198.15775	1.7
205.12248	2.3
207.13814	17.3
225.14897	100.0
226.11613	0.8
226.15251	10.5
241.14395	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	225.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
59.01245	100.0
60.01570	1.5
63.66870	0.8
65.01289	1.1
69.66921	3.9
69.67339	1.5
74.03194	0.9
77.12580	0.8
81.03345	1.0
97.06435	3.3
98.19811	1.9
101.02299	1.1
110.93578	0.8
124.72112	0.9
135.08069	0.9
137.02304	1.4
143.94781	0.8
147.08026	2.7
152.08289	2.7
157.05017	1.1
165.01753	1.7
165.09117	2.1
181.12129	1.1
184.06226	0.9
192.96970	0.8
198.04472	0.8
199.06181	1.2
199.44762	0.8
207.10233	1.2
225.05551	0.9
225.07640	1.6
225.11234	33.6
225.14670	1.5
226.11531	2.5
228.61731	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	25.8
59.01239	1.8
59.22927	0.5
59.35310	0.6
69.03324	4.2
71.04894	6.5
81.03329	1.0
83.04874	2.2
86.27625	0.5
93.64121	0.5
95.04883	0.9
96.94524	0.5
97.02827	1.0
97.06475	1.8
99.04364	0.5
101.02318	0.6
105.17271	0.6
107.04947	1.0
109.06466	4.0
119.19175	0.5
121.06445	2.0
121.10122	1.9
123.08051	6.6
125.05935	0.6
125.09609	1.4
135.08029	1.3
137.06021	0.8
137.09618	20.6
138.09932	1.5
147.08090	0.7
149.09538	0.9
151.07552	1.0
151.11209	8.6
152.08197	0.8
153.09061	0.9
153.12752	11.3
154.13029	0.6
163.11195	7.5
165.43356	0.5
179.10690	1.4
179.14288	4.0
181.12239	9.4
182.12492	1.0
189.12772	1.7
191.10698	1.2
195.13831	19.1
196.14165	1.2
197.13614	1.2
197.15393	22.2
198.15750	1.9
205.12263	1.2
207.13844	15.7
208.14314	1.2
225.14900	100.0
226.15269	9.7
241.14388	1.3
246.73840	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.7
57.03314	5.6
59.01246	12.6
60.14222	2.7
60.19767	3.2
70.72176	9.3
71.01253	28.7
72.99174	42.2
73.02834	6.6
75.00728	8.7
78.95771	34.0
81.03340	15.3
83.01243	4.1
85.02811	50.5
87.00744	14.2
89.02284	5.7
96.96814	15.8
97.02795	5.7
99.00752	13.2
101.02324	6.4
103.00235	9.8
111.00746	9.8
113.02331	9.1
117.01786	5.8
125.02328	54.8
126.02679	4.0
129.01828	63.6
133.01332	8.1
143.03386	8.6
147.02869	21.8
161.04399	4.1
163.02357	3.8
169.01357	3.9
204.99658	6.6
205.03448	44.6
208.03807	3.3
223.04520	100.0
223.13322	6.3
224.04892	4.9
231.31026	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	223.0606
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
59.01234	3.1
65.80442	1.6
69.23996	6.1
69.24425	10.6
87.00750	23.4
91.05405	77.3
92.05743	5.4
98.20544	3.2
117.06976	26.0
118.07269	1.9
133.06488	42.6
134.06795	3.5
135.04437	7.6
161.05986	64.8
162.06343	4.0
163.03912	100.0
164.04277	6.5
179.07014	5.8
179.10684	2.2
180.07527	2.3
205.05009	2.9
207.30057	1.5
208.03824	1.4
223.06055	75.5
223.13220	2.2
224.06447	6.1
230.11514	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	223.1335
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03298	1.4
58.96294	0.9
59.01245	6.0
69.03335	7.2
71.04881	2.2
79.36576	0.9
83.04893	1.0
85.06483	1.4
89.11810	1.0
95.04881	1.0
98.19823	2.2
109.06514	1.3
111.85823	0.8
125.09586	1.1
149.09641	1.3
153.09184	1.1
166.34740	0.9
167.10698	10.9
168.11049	0.9
177.12814	1.4
179.10782	4.2
179.14325	11.9
180.14691	1.4
189.28378	1.0
195.12036	1.5
195.13831	27.8
195.15552	1.8
196.14233	2.3
205.12283	23.8
206.12544	1.3
223.02831	1.5
223.13348	100.0
224.13663	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	221.1541
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
59.01231	0.4
69.73699	0.9
84.50757	0.1
85.66262	0.1
127.07510	0.7
140.10944	0.2
148.05193	0.2
149.05927	0.3
151.07510	0.5
164.08319	2.0
165.08820	0.2
205.12273	1.8
206.12552	0.8
207.13860	1.0
208.14136	0.2
220.14607	3.5
221.15393	100.0
222.15736	11.4
235.13412	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.0
59.96593	0.8
61.98699	0.2
63.59370	0.1
66.70324	0.1
69.48309	0.1
71.01258	0.4
72.99151	0.2
73.01015	0.2
74.98943	12.3
75.96091	0.7
75.98882	0.2
79.62306	0.1
84.32555	0.2
85.02818	0.3
93.00009	13.7
93.03353	0.2
93.99961	0.3
96.95886	0.2
101.02325	0.4
107.04927	0.2
120.67451	0.2
129.93755	0.1
140.03458	0.2
141.17128	0.1
143.50476	0.2
149.00861	13.4
150.00815	1.0
150.98767	0.9
150.99940	0.1
152.96764	0.2
164.04669	0.2
165.01860	0.2
166.13158	0.1
167.83647	0.2
193.01355	0.7
195.13698	0.2
202.37759	0.1
206.99654	5.0
207.99672	0.6
208.03673	0.6
208.97691	0.3
223.02779	100.0
223.13370	0.8
224.02818	12.6
225.00706	0.4
241.03839	3.9
242.03914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0815
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
53.17343	0.9
58.72545	0.7
59.01246	11.4
59.75182	0.7
60.11789	0.8
60.99184	1.0
69.03326	46.5
70.03645	1.3
71.04890	100.0
72.05228	2.1
75.02271	2.8
75.22940	0.8
93.03323	3.0
98.19773	2.3
101.02361	1.0
107.04900	2.9
119.01330	0.8
121.02838	49.6
122.03200	1.7
134.03630	17.1
135.04382	1.5
147.00784	5.9
147.08084	2.8
149.05943	1.1
149.09633	10.5
151.03862	1.8
165.01836	3.8
177.09126	14.8
178.09506	1.1
179.10703	0.9
182.10960	0.9
190.99800	2.6
193.08595	2.5
206.02055	0.9
206.09476	1.7
221.04646	1.9
221.08197	26.2
221.11725	5.3
221.15349	1.6
222.08369	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	221.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03035	1.6
57.03319	24.8
57.39745	0.9
59.01245	13.3
69.48454	1.4
69.48863	5.2
71.01246	2.2
83.04884	1.7
85.02812	2.2
91.05395	3.9
95.04890	2.4
96.99171	2.4
97.02843	0.9
107.04930	1.0
108.02093	1.4
109.02805	2.1
110.83131	0.8
115.05416	100.0
116.05758	6.6
120.05701	1.0
121.02812	1.0
121.06468	2.3
123.04394	2.9
123.08053	6.5
131.04982	0.8
133.06488	8.4
135.04411	5.8
135.08054	2.5
139.07549	1.3
144.05669	1.1
145.06386	1.0
147.08095	1.6
148.05209	1.1
149.05936	1.1
149.09612	2.0
151.07530	8.7
159.04417	1.2
159.08099	2.1
160.08858	1.2
161.06058	0.8
161.09628	6.4
163.07549	15.4
164.08211	1.6
165.09109	8.6
166.09395	1.2
172.52829	0.8
173.09656	3.0
175.11197	1.0
176.08322	0.8
177.09108	11.6
178.09818	1.3
179.10689	11.3
187.07623	1.4
188.08363	1.7
190.99759	1.2
193.12292	1.3
201.09229	0.9
203.03441	14.4
203.10701	16.8
203.12445	1.4
204.03790	1.6
204.11108	2.0
206.09482	3.8
211.16296	0.8
221.04518	5.3
221.08464	1.2
221.11795	28.9
221.15269	2.0
222.03899	0.9
222.12094	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	221.045
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
57.03318	6.9
59.01250	5.7
60.27911	0.4
60.58430	0.5
67.35893	0.5
70.90633	0.7
70.90978	1.1
71.01249	3.0
71.92915	0.5
85.02833	0.9
85.42117	0.5
91.05415	2.6
95.04927	0.7
96.99194	1.0
104.55070	0.5
115.05416	100.0
116.05750	6.1
119.02374	0.6
121.02884	0.6
121.06451	0.7
123.04387	0.6
123.08041	2.0
133.06479	6.9
135.04393	2.2
135.08055	0.6
149.05945	0.7
151.07526	2.1
159.04411	1.1
161.09592	2.2
163.07533	5.4
164.08186	0.5
165.09122	2.6
166.09531	0.5
177.09077	1.8
179.10722	4.1
188.08272	0.8
203.03418	14.9
203.10703	4.5
204.03761	1.3
206.09386	0.9
221.04498	8.2
221.06564	0.9
221.11816	8.7
221.15163	1.0
222.04594	0.6
223.86055	0.5
238.58505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0602
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
58.00467	3.6
59.01236	2.3
68.74634	1.5
72.23301	1.6
72.99171	10.8
75.00742	41.5
79.08054	2.0
93.03352	9.0
94.62966	1.6
99.00766	3.5
103.00247	5.7
106.04129	4.8
107.04905	27.2
121.02824	5.2
123.00742	2.9
123.04404	2.0
133.02824	5.5
135.04413	24.3
137.02272	1.8
138.47748	1.8
139.03937	2.8
147.04379	2.8
149.06038	2.8
163.03928	4.4
165.05476	23.0
181.04990	5.6
193.04996	6.9
211.06053	100.0
211.13240	2.7
212.06407	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	211.1333
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
50.87616	0.2
59.01238	0.9
60.63570	0.2
63.41857	0.2
69.03315	1.0
71.15454	0.5
71.15784	0.4
77.39236	0.2
78.95772	0.4
83.04878	0.5
98.19899	0.3
103.91885	0.5
136.89877	0.3
155.10641	0.5
165.12773	0.3
166.91026	2.2
166.93683	0.6
167.10677	0.9
167.14323	1.5
168.14578	0.2
181.12297	0.3
183.13826	14.1
184.14165	0.8
193.12270	3.7
194.12540	0.3
210.90018	0.8
211.13329	100.0
212.13670	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10248	0.3
53.19377	0.3
57.03318	0.4
58.65117	0.3
59.01260	1.7
65.01313	0.4
66.00842	0.3
69.03320	0.8
70.44598	1.2
83.04890	0.7
87.92218	0.3
88.07166	0.3
94.16247	0.3
94.73104	0.3
95.01218	0.3
97.06499	0.3
142.25594	0.3
155.10687	0.6
165.12724	0.6
166.90948	2.0
167.10715	0.7
167.14241	1.6
169.05104	0.4
183.13814	14.8
184.14163	1.4
188.38991	0.3
193.12263	3.5
194.12579	0.5
211.13321	100.0
212.13670	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	213.149
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
57.06824	0.6
65.01327	0.5
71.14093	0.7
71.21924	1.4
80.05485	0.6
108.15368	0.6
125.27723	0.6
144.47733	0.7
183.13818	27.9
184.14139	1.7
195.13846	24.2
196.14153	1.8
213.14896	100.0
214.15248	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
57.03328	2.5
59.01250	100.0
60.01589	1.9
62.43779	0.4
65.01331	0.9
70.72696	0.5
70.73037	1.1
71.04918	0.5
73.78728	0.5
76.05841	0.4
80.02531	1.0
81.03326	1.5
81.39885	0.5
83.04910	0.8
85.02843	0.6
86.46224	0.5
93.03314	1.0
94.02866	0.8
95.01266	0.8
97.06435	2.3
103.91937	0.7
109.02857	1.0
109.06480	3.0
120.02056	1.3
120.94991	0.4
121.02843	60.2
122.03147	3.1
124.03931	1.4
135.04384	1.0
135.08092	0.7
136.01564	1.1
137.02332	0.8
137.05984	0.7
147.17738	0.5
149.09602	0.5
151.03928	0.8
156.05571	1.4
161.02351	0.5
163.11256	0.7
164.85390	0.4
164.94022	5.3
165.05484	0.9
165.12769	3.9
169.05161	0.5
178.97162	0.5
178.99878	0.5
179.03461	1.0
180.14450	0.5
181.05022	0.8
183.06609	2.2
194.02057	0.9
194.05765	1.5
208.93016	1.8
209.01207	0.5
209.04482	6.4
209.06355	0.6
209.08237	1.5
209.11755	17.0
209.15398	0.8
210.04723	0.6
210.07785	1.4
210.12041	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1177
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
57.03323	4.6
59.01251	23.4
65.00192	1.1
69.03316	2.2
71.01250	21.9
71.04903	1.0
71.56158	1.2
73.02819	1.3
78.89642	0.9
80.02563	2.5
81.03326	2.6
83.01259	1.6
83.04902	5.9
84.02060	2.7
92.99696	1.3
93.03325	2.2
94.02843	1.7
95.04912	4.5
97.06453	4.9
103.91911	1.9
107.04910	2.4
108.02001	1.3
109.06467	2.1
111.08051	2.5
112.01538	1.3
120.02061	1.6
121.02844	85.0
122.03192	4.2
123.04358	1.2
123.08018	1.3
124.03931	2.9
125.02341	1.1
125.09612	7.4
133.10086	1.0
134.03566	1.5
135.08061	1.7
136.98714	1.2
137.02283	1.5
137.05988	1.9
137.09610	1.9
144.00449	1.0
145.10133	2.2
147.11696	4.0
149.09615	1.2
151.03874	3.1
151.11188	31.0
152.11539	1.2
153.09052	0.9
153.12767	4.1
163.11217	11.0
164.94026	14.8
164.98146	2.0
165.01868	1.2
165.05476	1.2
165.09135	1.5
165.12759	20.9
166.06233	2.2
166.13081	1.4
167.10654	1.4
168.07512	1.1
173.09587	3.4
179.03403	3.6
179.10669	5.6
181.08644	1.5
181.12259	38.3
182.12636	3.6
184.91997	1.1
191.10716	18.7
192.10838	1.0
194.02083	2.1
194.05750	1.3
208.93082	3.7
209.04497	13.2
209.11769	100.0
210.12106	7.9
216.31238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1176
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
52.00580	0.5
55.01752	2.6
57.03315	1.9
58.25187	0.5
59.01247	9.8
65.00179	0.6
65.20692	0.4
66.03331	0.5
69.03306	0.9
71.11880	1.0
80.02557	1.1
81.03323	4.7
83.01253	27.4
83.04887	5.4
84.01601	1.1
84.02045	1.3
84.49110	0.5
85.02781	0.5
91.01746	0.8
92.90842	0.5
92.99724	0.9
93.03320	1.7
94.02820	0.7
95.01282	0.7
95.04891	2.5
97.02821	0.6
97.06463	3.9
99.75392	0.5
103.91890	0.7
107.04935	0.6
108.02029	0.6
109.02831	0.6
109.06491	0.7
109.79692	0.5
110.03618	0.6
121.02838	48.3
122.03149	2.9
123.04340	0.7
123.08033	2.2
124.03915	1.9
125.02303	0.7
125.05973	0.6
125.09599	22.4
126.09945	1.0
128.89293	0.5
135.04372	0.9
135.08034	2.1
136.01518	0.9
136.98691	0.6
137.05981	1.3
147.11674	1.2
149.09579	0.7
151.03877	2.8
161.02408	0.5
161.09698	0.5
163.11189	9.8
164.11523	0.7
164.94049	6.4
164.98212	0.8
165.02008	0.6
165.05504	0.9
165.09073	0.5
165.12727	4.7
166.06210	1.2
166.13182	0.5
173.09708	0.8
174.37363	0.5
179.03397	2.9
181.08643	1.6
181.12219	2.0
185.23466	0.6
191.10677	7.3
194.02103	1.6
194.05750	1.7
208.93025	1.3
209.04485	5.8
209.08272	2.5
209.11757	100.0
210.12096	7.9
220.34155	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0813
Annotation	Anserinone B
Peak:m/z	Relative Intensity
54.54179	0.6
59.01246	26.4
60.01558	0.9
65.00188	0.9
69.41812	0.9
71.57536	1.7
78.82870	0.7
80.02527	0.8
81.03336	2.2
83.01263	1.0
83.04889	4.9
85.02846	1.0
91.01774	1.5
92.99682	1.0
93.03343	1.2
95.04913	1.2
96.95868	1.0
103.91888	1.6
107.04895	1.4
109.02850	2.0
118.94119	0.8
120.94988	1.4
121.02844	100.0
122.03146	4.9
123.04395	7.7
124.03910	2.6
125.05989	0.8
128.02750	0.7
135.04468	1.8
135.08076	1.1
136.01570	0.9
137.02325	1.7
137.05936	1.1
137.09435	0.7
151.03906	43.8
152.04285	2.3
156.05556	1.7
163.11214	3.9
164.91498	2.0
164.94032	16.4
165.05467	7.4
165.12805	2.7
166.06264	47.9
167.06602	2.4
177.01880	4.2
179.03412	42.6
180.03740	4.0
181.08618	31.9
182.08984	1.2
183.60197	0.8
184.92143	1.0
191.10724	0.9
193.04987	12.8
194.02174	1.1
194.05771	10.1
195.06018	1.1
208.93030	4.8
209.01025	0.9
209.04533	12.6
209.08173	32.1
209.11752	64.3
210.08350	2.5
210.12073	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0812
Annotation	Anserinone B
Peak:m/z	Relative Intensity
55.01764	0.8
57.52214	0.6
59.01241	4.3
68.99691	0.7
91.05390	0.6
98.19764	1.2
103.91899	0.6
107.04906	2.2
120.02060	0.6
121.01949	0.9
121.02838	16.2
121.03664	1.1
121.06483	1.5
122.03151	1.2
123.04410	13.0
124.03918	0.6
124.04756	0.6
125.18285	0.5
135.04405	1.0
137.05956	1.3
149.02368	3.0
149.05946	0.9
151.03912	100.0
152.04211	5.2
153.01834	0.7
156.15002	0.5
161.02350	0.6
163.03877	0.6
163.11067	0.6
164.04684	0.7
164.94041	2.9
165.05487	17.0
166.06267	87.5
167.06621	5.1
177.01854	11.7
178.02217	0.9
179.03421	75.4
180.03740	5.1
181.08623	53.3
182.08943	3.9
193.04990	29.1
194.05782	15.7
195.06029	0.7
209.04561	2.0
209.08131	56.7
209.11491	6.6
210.08452	4.7
226.04826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0657
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.28351	0.2
59.01243	0.4
71.07718	0.4
77.03856	0.2
89.03851	0.2
94.02744	0.1
95.04890	0.5
98.81650	0.2
104.66113	0.1
105.03336	4.9
106.03761	0.1
109.06446	0.2
112.28445	0.2
123.04425	0.5
128.85443	0.2
130.94278	0.2
132.56650	0.2
133.02844	36.4
134.03186	2.2
135.04411	0.2
149.02336	2.1
151.03922	0.5
156.82936	0.2
160.01643	0.2
164.04692	3.1
165.05060	0.2
177.01840	11.8
178.02217	0.7
179.03416	0.2
181.05070	0.3
192.04201	100.0
193.04547	7.5
207.06557	16.7
207.13835	1.1
208.06921	1.7
221.98109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70294	0.7
58.02844	35.1
59.01217	1.0
69.33617	5.9
69.34026	2.1
70.02848	12.9
72.00771	6.4
75.00725	1.0
81.32471	0.8
91.05408	4.5
117.01765	2.7
135.04381	2.2
137.03490	0.8
141.10590	0.7
147.04404	38.1
148.04773	2.3
149.05708	0.8
162.09055	1.1
163.07507	0.9
164.07068	100.0
165.07408	5.2
165.08586	0.9
176.04475	0.8
177.01813	1.9
177.05052	3.9
182.49036	0.8
188.07916	9.3
189.08124	1.2
192.04118	2.5
203.88477	1.0
206.08110	34.6
206.12440	1.4
207.02637	0.9
207.06526	1.7
207.08420	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	207.0503
Annotation	Methylglucopyranosiduronic acid
Peak:m/z	Relative Intensity
53.06295	0.3
55.01740	0.8
57.03308	0.4
57.79320	0.3
58.00470	4.8
59.01249	22.4
60.01583	0.5
63.86886	0.3
68.99694	0.4
71.01254	7.9
71.25965	0.5
72.99174	5.5
73.02816	4.3
75.00745	0.5
78.95770	1.1
80.59084	0.4
82.18159	0.4
83.01260	2.3
87.00756	1.8
89.02314	9.6
99.00748	3.2
101.02316	0.5
101.99467	1.7
113.02325	1.1
117.01819	100.0
117.05453	1.5
118.02154	3.3
118.94948	0.4
127.00274	0.8
129.01855	0.7
133.10542	0.4
135.02847	0.5
140.38197	0.4
159.02875	0.7
161.04443	0.7
177.01791	0.5
189.03964	1.8
192.04216	1.2
197.98022	0.4
206.95491	0.7
207.03181	0.7
207.05014	4.8
207.06743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0816
Annotation	N-Acetyl-D-phenylalanine
Peak:m/z	Relative Intensity
58.02847	37.5
61.54819	0.6
70.02853	14.2
71.36350	1.1
72.00774	5.1
72.99194	0.7
78.84195	0.6
82.95207	0.6
83.56721	0.7
84.01751	0.8
91.05405	10.4
92.05710	0.7
97.82349	0.6
106.79939	0.6
113.19141	0.7
117.01830	1.1
135.04431	1.6
147.04419	39.4
148.04858	1.6
162.09113	1.6
164.07083	100.0
165.07411	5.1
177.01860	0.8
188.07881	1.1
206.08159	34.6
207.08501	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	205.1591
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01245	0.3
60.64125	0.1
63.46361	0.1
63.49195	0.1
71.01248	0.1
72.18652	0.1
90.18976	0.1
98.20603	0.2
98.72083	0.1
115.00249	0.2
121.02783	0.1
133.02779	0.1
146.43433	0.1
149.09663	0.2
161.02359	0.2
161.06035	0.1
162.89282	0.2
166.16374	0.1
189.12802	1.7
190.13098	0.2
205.15912	100.0
206.16255	9.6
227.67212	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	206.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10640	6.9
59.01248	48.7
62.98919	7.0
68.99699	11.6
70.96023	13.0
71.01250	30.8
71.40707	6.8
72.01597	13.0
72.99180	40.6
75.00742	23.4
87.00733	56.6
97.73041	7.5
99.00768	15.8
103.00239	14.6
109.59015	7.3
112.98676	11.9
115.00237	14.8
116.00575	27.3
117.01812	38.2
128.00597	7.8
129.01816	15.4
129.88704	7.4
130.99739	100.0
138.87206	8.2
144.00470	24.2
145.01323	58.0
146.01642	8.5
146.20279	7.1
157.01314	25.7
177.01846	11.4
192.04227	22.0
206.04202	39.5
207.02843	13.8
207.10251	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	205.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86925	2.2
55.01751	10.0
58.00452	3.7
59.01250	81.8
61.87936	2.1
67.56712	2.3
68.99688	11.7
69.93613	13.8
71.01252	100.0
71.04890	2.3
72.57968	2.5
72.99172	50.1
73.02821	9.8
75.00739	42.3
83.01252	12.9
84.99197	3.0
86.62308	2.5
87.00752	58.3
89.02314	7.1
89.03837	3.7
96.99191	7.9
99.00755	37.3
101.02320	10.7
103.00256	7.0
111.00755	18.0
112.98729	5.0
115.00250	92.6
116.00607	2.9
117.01784	13.1
119.56306	2.3
124.98711	17.7
125.02315	12.2
127.00260	16.8
129.01828	17.1
130.99756	6.6
133.02834	9.9
142.99782	26.8
144.00493	2.5
145.01331	20.4
154.99739	20.5
157.01370	5.9
161.02368	13.6
173.00917	2.4
175.02374	8.4
185.61292	2.3
187.02475	3.7
205.03462	9.0
206.04340	3.9
211.59991	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0346
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01752	14.1
58.00462	4.9
59.01245	98.8
67.01778	2.2
68.99692	17.9
69.64642	12.2
71.01250	100.0
71.48563	1.6
72.01598	2.2
72.99174	52.0
73.02811	11.4
75.00741	44.4
80.99673	2.2
83.01251	11.0
85.02783	4.1
87.00747	69.2
88.98684	2.0
89.02306	6.9
96.99179	8.2
98.19882	3.7
99.00758	30.9
100.98715	2.5
101.02330	9.7
103.00213	8.0
103.22030	1.7
111.00751	18.0
112.98680	6.2
115.00246	92.0
116.00528	3.1
117.01795	10.7
124.98680	21.5
125.02321	5.8
127.00241	10.3
129.01849	12.4
130.99757	18.3
133.02843	4.0
142.99765	21.3
144.00481	3.7
145.01320	22.2
145.05005	2.1
151.24774	1.9
154.99774	16.1
157.01357	4.3
161.02312	8.2
173.00803	4.8
175.02414	6.5
179.54785	1.8
205.03410	5.2
206.04134	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	205.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	6.9
57.07079	1.5
58.00468	4.7
59.01249	62.2
60.99154	1.6
67.01785	1.6
68.96751	1.5
68.99685	12.4
70.72175	3.4
70.72504	3.0
71.01252	87.4
71.04921	2.0
72.01594	2.2
72.99178	47.6
73.02802	8.8
75.00744	40.2
83.01250	11.8
85.02824	4.6
87.00748	51.8
88.01109	1.9
89.02311	6.9
96.01006	1.8
96.99204	7.5
98.20484	1.6
99.00758	34.1
99.01405	1.6
100.98672	3.4
101.02326	9.2
103.00256	8.9
111.00759	16.1
112.98682	9.3
115.00256	100.0
116.00594	3.4
117.01815	16.3
124.98690	13.7
125.02348	5.3
127.00298	10.4
127.01091	1.6
129.01826	17.9
130.07610	1.7
130.99762	16.5
133.02861	2.3
142.99747	26.1
144.00540	3.2
145.01334	26.1
152.98250	1.8
154.99756	17.0
157.01328	4.7
159.02870	2.0
161.02393	4.8
173.00786	8.1
175.02380	9.7
205.01575	1.7
205.03433	6.9
205.05144	2.4
205.08698	2.3
205.12306	3.9
205.15907	6.6
206.04243	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	201.1126
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.69230	0.7
53.81306	0.6
57.03323	7.3
59.01252	30.7
65.01328	4.0
65.99734	2.0
66.00845	0.9
67.02869	0.8
69.03324	1.2
71.58730	1.1
77.41431	0.7
82.03972	2.8
90.00822	0.7
91.02917	1.9
92.01344	1.4
92.02438	0.8
93.04424	1.0
105.04477	1.5
106.04009	2.9
107.02410	0.8
107.06047	0.9
109.03989	1.1
111.08031	6.1
112.38963	0.7
116.02494	0.9
117.04497	0.8
118.04005	1.2
119.02363	1.3
121.04012	1.2
125.09568	0.9
130.03995	1.2
132.04646	1.2
132.05521	5.1
133.03958	3.0
133.05055	1.5
134.03487	2.0
137.09625	3.2
139.11185	93.2
140.11508	6.0
141.93593	1.1
142.03915	0.8
143.03506	0.8
147.05533	1.8
147.06604	0.9
148.05113	1.6
156.05515	0.8
157.05074	1.0
157.08604	1.0
157.12234	2.7
158.03554	0.9
158.05952	1.1
158.07164	0.8
159.01378	1.0
159.03053	0.8
159.06667	1.5
159.89278	0.8
160.05043	2.6
162.05344	0.9
173.04623	1.0
173.06007	2.2
174.03015	0.9
174.06560	5.0
174.07881	0.8
175.06104	4.2
183.10194	28.0
184.10553	1.8
201.02394	2.2
201.05551	3.1
201.07701	4.1
201.11256	100.0
202.07304	3.3
202.11588	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	202.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13062	21.0
58.02835	21.8
59.01239	92.8
68.01289	24.3
68.99680	22.2
69.03336	51.6
70.02862	27.0
71.01247	95.5
71.56223	23.4
71.56584	19.1
72.99171	74.0
73.02824	23.8
74.02338	40.6
85.02827	100.0
87.00757	88.7
87.04382	62.5
87.33309	18.2
89.39171	19.5
96.04430	88.8
97.02821	44.8
98.02337	45.4
99.00751	30.6
101.02273	23.2
103.00200	18.9
110.02324	29.8
112.03934	37.5
115.00262	22.8
140.03419	27.4
141.01831	45.1
142.01341	35.0
153.02081	18.0
156.02930	79.0
184.02431	28.3
202.03497	26.4
203.01860	25.5
203.10593	39.4
203.12469	19.5
211.02348	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	199.0969
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
50.69208	0.4
57.03312	0.7
59.01235	1.0
65.01307	2.0
65.99709	1.2
70.45443	0.9
70.45850	0.8
71.01218	0.4
83.04891	0.4
89.01340	1.0
90.00865	0.5
91.02927	0.7
99.00737	1.2
105.04494	0.5
130.03973	1.1
131.03395	0.4
133.05046	0.5
137.09605	6.7
144.05586	0.5
145.03934	0.6
145.05022	0.5
146.03445	0.5
155.10678	100.0
156.11029	5.8
157.02843	0.4
157.05075	1.8
158.03477	0.9
158.04633	0.6
172.04965	2.1
172.06314	0.6
173.04637	1.0
173.08179	0.5
181.08600	0.8
199.04297	0.6
199.06134	1.6
199.09683	8.3
199.13341	2.8
199.16959	1.5
200.05721	0.8
200.10046	0.4
206.98593	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.154
Annotation	METHYL 10-UNDECENOATE
Peak:m/z	Relative Intensity
50.73958	1.3
56.58982	1.1
57.03329	3.3
59.01251	3.3
61.27539	1.3
61.98705	3.2
63.39661	1.1
67.05346	1.1
69.03328	2.7
70.01156	6.5
71.04888	2.6
80.02547	2.1
81.03337	2.9
83.04900	12.4
85.06496	1.1
93.03361	1.7
95.01254	3.6
95.04913	5.9
97.06464	27.7
98.20512	2.2
107.04932	1.7
109.02831	3.0
109.06477	4.9
111.04427	1.6
111.08041	22.6
116.92769	2.3
121.02858	3.0
123.00780	11.7
125.02331	2.9
126.90398	1.3
130.99139	1.2
137.02347	2.2
137.09631	2.4
138.03143	2.0
147.11670	2.0
149.09636	1.8
151.03961	1.5
153.01852	1.8
153.05516	3.2
153.09071	2.2
153.12715	3.6
154.91196	1.7
160.84145	2.6
162.83861	6.9
163.11189	9.8
165.12767	100.0
166.13083	7.1
166.99776	8.3
178.99852	1.6
179.03398	2.7
182.02101	17.5
196.98291	1.8
197.04497	6.5
197.06053	1.3
197.08148	4.6
197.11710	8.5
197.15410	5.0
197.80731	3.5
198.04030	1.7
209.11778	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	199.0239
Annotation	3-Carboxymethylmuconate
Peak:m/z	Relative Intensity
55.01733	5.1
65.00185	13.3
67.01736	15.7
69.03316	14.1
69.87667	19.9
83.01239	11.9
95.01258	40.8
96.01550	3.5
96.96719	3.4
97.02811	48.1
98.19943	4.0
100.15579	3.1
111.00735	39.9
123.00762	23.9
127.03854	3.8
130.03986	3.9
132.96455	3.4
137.09634	4.1
138.99237	4.7
139.00255	51.6
140.01073	19.6
153.01826	92.5
154.02145	5.9
155.03371	6.5
155.10739	4.2
166.99745	80.0
168.00075	5.2
171.04292	4.1
172.05066	3.7
181.01328	100.0
182.01538	4.1
185.00816	14.3
199.02390	5.7
199.03973	3.9
199.06026	5.2
199.09746	3.8
199.13312	11.0
199.16978	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	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03307	0.4
59.01248	1.4
65.01305	1.4
69.03305	2.1
71.01237	0.7
71.58106	0.6
71.58519	0.6
73.02824	0.6
81.03314	0.5
82.51158	0.4
83.04896	1.4
89.01336	0.4
94.02856	0.6
95.01263	1.3
97.06477	0.6
106.03971	0.5
109.06501	0.7
111.04395	0.4
112.01543	0.6
112.03921	0.5
121.02792	0.5
123.00755	3.1
123.08064	0.5
125.02333	1.3
125.09607	0.4
126.90443	0.6
129.04416	0.5
130.03990	0.7
130.99156	0.7
137.02309	0.9
138.03137	0.9
141.09090	0.7
143.03487	0.8
144.05577	0.6
151.11176	0.8
153.01761	0.5
153.05481	1.2
153.09122	2.1
153.12724	4.0
155.03485	0.5
156.05573	1.2
157.05077	1.2
166.99757	2.4
169.12253	17.9
170.03476	0.5
170.07155	0.8
170.12636	0.9
171.06677	2.6
178.99736	0.6
179.03336	0.8
179.10670	1.9
182.02136	5.7
197.04657	2.0
197.11760	100.0
198.04007	0.5
198.07834	1.0
198.12091	7.0
204.44273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1176
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.92390	0.4
57.03309	0.7
59.01240	0.6
65.01339	0.6
70.69023	1.2
70.69365	0.5
71.04877	1.0
74.63586	0.4
82.52127	0.5
83.04922	0.6
85.48315	0.4
87.98808	0.5
89.35927	0.5
95.01276	0.5
95.04935	0.5
97.06461	16.5
98.06796	0.7
99.08046	4.2
105.04456	0.5
109.06493	0.7
116.92729	0.5
121.02835	1.0
122.03652	2.6
123.00764	2.6
123.04413	0.7
125.02345	1.5
125.09615	1.1
126.03131	0.6
135.08028	0.5
137.02373	0.7
137.09595	1.7
138.03119	0.7
151.11195	0.9
153.01866	0.8
153.12750	100.0
154.13101	7.0
157.05046	0.6
166.99786	1.6
171.06699	1.2
179.10695	21.8
180.11018	1.7
182.02115	4.4
183.02293	0.5
197.04466	1.7
197.08133	0.5
197.11774	8.8
197.15366	0.7
198.12157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0445
Annotation	FR 198248
Peak:m/z	Relative Intensity
57.34027	2.8
57.86138	3.1
58.00440	3.4
59.01245	5.9
62.52251	2.5
64.22112	2.8
66.03388	3.8
66.97281	2.4
69.03313	6.4
69.30165	25.5
69.30583	6.9
71.01240	7.9
72.99176	6.5
73.02821	23.3
75.00751	5.1
81.03330	7.5
81.30473	2.8
82.41476	3.4
82.79754	2.8
83.04883	3.3
85.02811	4.6
87.00751	11.7
95.01266	19.3
95.42069	3.2
97.02804	4.4
98.20578	6.6
99.00744	3.1
99.04455	4.0
109.02815	11.7
109.06438	3.5
111.00783	5.5
111.04388	3.8
121.02817	10.8
123.00772	87.7
123.04403	12.4
124.01539	14.1
125.02337	100.0
125.03241	5.7
126.02664	3.8
135.04402	4.5
137.02350	36.7
138.03104	13.2
139.00333	4.4
139.03899	12.2
140.03508	6.4
150.03136	3.3
151.03906	28.6
153.01794	6.4
153.05499	6.4
153.09062	5.7
161.02315	3.4
164.01035	3.3
166.99808	11.8
167.03369	4.2
179.03394	18.9
182.02153	20.0
196.89532	4.2
197.04482	42.4
197.06133	5.1
197.11662	8.1
198.03876	14.4
198.90329	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1175
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01263	1.9
59.01519	0.4
61.98692	0.4
69.03333	2.6
69.51947	1.9
69.52361	1.1
71.01235	0.4
83.04888	1.0
95.01247	0.8
97.06435	0.8
99.04331	0.5
109.02827	0.9
109.06460	0.6
116.92679	0.6
121.02846	1.0
123.00729	2.7
123.88860	0.4
125.02362	1.0
125.06012	0.5
125.09626	0.4
131.58080	0.4
137.02322	0.8
138.03104	0.6
141.09093	1.7
151.11154	1.2
153.05421	0.9
153.09131	2.0
153.12744	5.4
154.91296	0.6
160.84119	4.5
162.83817	12.4
166.99771	2.1
169.12251	17.6
170.12584	0.6
174.20183	0.4
178.99759	0.7
179.03380	0.5
179.10606	2.0
182.02133	6.4
182.05794	0.7
196.91348	0.7
196.98360	0.6
197.04492	1.7
197.11754	100.0
197.80695	6.4
198.12103	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	193.0709
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
55.01759	12.2
57.02879	4.4
57.03312	8.4
59.01248	56.4
63.33137	5.0
67.29657	5.7
69.03312	34.6
71.01245	81.7
71.27015	9.4
72.99183	9.6
73.02816	90.1
79.01741	7.0
81.03316	9.2
83.01259	30.0
85.02816	96.7
85.99963	13.4
87.00748	78.4
89.02297	6.4
95.01253	17.7
97.02830	48.0
99.00751	75.2
101.02325	94.8
103.62429	4.5
111.00718	8.4
112.01524	13.8
113.02321	20.1
115.03890	7.6
123.00735	8.1
125.02335	34.6
140.01027	9.5
141.01826	33.7
142.02469	4.9
155.03383	16.1
161.04451	100.0
172.99760	6.1
175.06027	6.6
177.41988	4.9
193.07143	44.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0502
Annotation	D-Altronate
Peak:m/z	Relative Intensity
51.26340	0.4
52.33772	0.4
55.01742	0.7
57.03324	4.6
57.31922	0.3
58.00455	1.2
59.01247	18.7
61.01658	0.5
65.99725	0.9
68.99662	1.2
69.03314	1.4
71.01253	13.4
71.05071	1.0
72.67520	0.3
72.99181	7.6
73.01678	0.8
73.02801	1.9
75.00742	100.0
76.01077	1.2
77.53076	0.3
78.82677	0.3
78.95770	11.3
78.96210	0.8
80.96385	3.2
83.01251	2.4
84.02044	0.7
85.02815	10.0
85.99979	0.5
86.03132	0.6
87.00748	11.5
87.03243	0.9
89.01157	1.2
89.02312	7.6
90.02624	0.5
95.01264	0.5
96.00838	0.5
96.96837	17.2
97.02834	1.0
99.00756	6.1
99.03278	0.5
100.01105	0.8
101.01199	0.8
101.02299	4.2
103.02741	1.5
105.01790	2.5
108.22136	0.4
110.02353	0.5
111.00755	3.5
119.03371	0.4
123.00758	0.8
125.02284	0.5
129.01826	21.9
130.02214	0.4
141.01839	4.3
143.02325	0.8
147.02876	0.7
150.03023	0.7
158.92499	0.5
159.02885	9.0
160.03236	0.6
160.84103	2.8
162.45984	0.4
163.04935	2.6
166.01146	0.4
172.35529	0.4
176.93495	0.5
177.03979	3.1
178.01363	0.5
180.04091	0.6
195.05023	41.4
195.07748	1.5
196.02441	0.8
196.05362	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	193.071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	7.8
57.03324	5.3
58.00165	0.9
58.00467	3.7
59.01248	28.6
63.38887	1.1
63.93224	0.9
68.99685	2.0
69.03320	16.7
70.44087	2.2
70.44485	2.0
71.01253	43.0
72.01591	1.2
72.99180	8.9
73.02817	45.9
75.00743	3.5
79.01769	2.7
81.03338	4.5
83.01257	19.6
84.02021	0.9
85.02821	51.6
85.99967	7.8
87.00751	42.7
89.02321	3.2
89.29336	1.1
95.01262	9.8
97.02825	23.9
97.49988	1.0
99.00756	40.1
99.04386	1.2
101.02318	63.6
105.19254	0.9
107.01273	1.2
111.00747	4.8
112.01544	3.0
113.02322	11.0
115.03901	3.1
117.01820	4.3
120.46584	1.2
123.00774	5.1
124.01558	2.6
125.02331	21.0
127.03891	1.9
129.01782	1.2
133.02844	1.3
140.01056	4.9
141.01843	20.2
142.02591	2.3
143.03423	1.2
149.05933	1.1
155.03389	11.9
157.04968	1.3
159.02887	2.8
161.04457	100.0
162.04805	4.1
173.04390	1.8
175.06015	3.7
182.68222	0.9
191.05534	3.5
193.07103	59.7
194.07463	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	193.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26066	1.8
55.01752	10.7
57.03323	7.7
58.00458	8.0
59.01247	54.9
68.99699	2.2
69.03321	27.2
69.04518	2.0
70.04176	8.5
71.01250	73.6
72.99185	9.1
73.02817	82.1
75.00718	4.1
75.55763	1.8
79.01762	3.7
80.31182	1.8
81.03333	6.4
83.01256	33.7
85.02819	94.6
85.99969	13.6
86.03168	2.3
87.00750	70.4
89.02315	6.6
93.03329	13.3
95.01264	20.7
97.02821	41.8
99.00751	84.9
100.01066	2.4
101.02316	100.0
107.01260	2.5
107.04934	3.8
111.00768	9.9
112.01556	4.8
113.02318	19.7
115.03870	3.7
117.01804	6.7
123.00766	10.0
123.04371	4.9
125.02331	29.7
125.89350	1.8
127.03928	3.8
129.01740	2.2
131.03410	2.2
131.04906	3.1
133.02853	11.0
140.01050	9.2
141.01848	26.6
142.02579	7.3
143.03360	2.1
147.04393	7.2
147.05515	1.9
149.06009	13.6
155.03398	16.2
155.88329	1.9
159.02892	3.5
161.04456	76.5
162.04694	3.3
165.05435	3.3
175.06020	5.9
178.02545	2.8
191.05490	3.3
193.04997	6.1
193.07086	29.2
194.07436	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	193.0709
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
50.65335	2.5
53.55426	3.1
54.94507	2.2
55.01757	12.9
57.03318	12.5
58.00451	7.3
58.99169	2.5
59.01244	65.9
67.01758	3.0
68.99661	3.4
69.03325	31.6
71.01247	89.2
72.01537	3.1
72.99174	11.3
73.02814	84.3
75.00745	4.0
79.01759	4.8
81.03315	5.6
83.01258	40.4
85.02818	91.2
85.99979	16.5
86.03144	3.5
87.00750	71.0
89.02309	7.3
93.03329	59.4
95.01270	22.9
97.02825	37.4
98.19729	4.8
99.00751	88.6
101.02319	95.8
107.01208	2.9
107.04897	8.8
111.00758	10.2
112.01549	6.4
113.02345	20.9
115.03854	4.4
117.01840	5.7
119.04890	8.3
121.02792	3.3
123.00754	11.5
123.04404	9.9
124.01524	4.7
125.02334	31.4
127.03880	3.5
129.01813	3.0
130.02713	2.3
131.04918	11.6
131.09238	2.2
133.02844	37.7
133.09511	2.3
135.04364	3.4
140.01009	7.6
141.01822	28.2
142.02600	6.3
147.04413	30.0
149.05977	46.2
150.01750	2.2
155.03409	13.2
161.04454	100.0
162.04788	6.4
165.05402	14.3
175.06075	4.0
191.05490	5.2
193.04977	17.1
193.07088	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26313	0.9
55.01754	5.0
57.03321	5.1
58.00471	1.9
59.01248	22.1
68.99687	1.4
69.03332	10.7
70.32404	4.0
70.32748	1.2
70.40426	0.9
71.01253	31.9
72.99181	4.5
73.02817	31.2
74.03120	1.1
79.63506	1.0
81.03326	3.5
83.01260	14.4
85.02818	37.5
85.99981	4.8
87.00749	30.8
89.02329	3.2
95.01259	7.4
97.02829	19.4
98.19839	1.2
99.00755	32.8
101.02323	53.9
102.02657	0.9
111.00771	2.1
112.01534	1.8
113.02317	8.4
115.03917	1.1
117.01833	2.5
118.17151	1.0
123.00768	2.7
125.02338	16.5
127.03941	1.4
127.28181	1.3
140.01039	4.2
141.01842	18.0
142.02634	1.4
143.03418	1.2
155.03398	9.5
159.02908	3.8
161.04472	100.0
162.04794	3.8
173.04459	2.3
175.06041	3.8
179.89604	1.1
182.39392	1.1
191.05531	2.7
193.07112	64.2
194.07506	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.05
Annotation	Methyl caffeate
Peak:m/z	Relative Intensity
54.37825	0.2
55.01750	0.5
57.03297	0.5
58.00441	0.3
59.01242	1.9
66.54974	0.2
69.03325	1.3
69.23487	1.2
69.23919	1.6
71.01249	3.1
71.55591	0.3
72.99170	0.4
73.02814	3.2
75.00745	0.3
83.01268	0.9
85.02816	3.8
85.99950	0.5
87.00735	3.1
92.13432	0.3
93.03345	0.8
95.01257	0.5
97.02839	1.7
98.19725	0.5
99.00756	3.0
99.62089	0.2
101.02316	4.6
106.04135	0.4
111.00745	0.7
113.02332	0.6
115.03844	0.3
117.01781	0.3
121.02843	1.8
125.02372	1.3
126.21413	0.2
133.02846	13.7
134.03642	12.3
135.03975	0.5
136.01572	0.3
137.02332	13.6
138.02672	0.5
139.03911	4.1
140.01004	0.5
141.01862	1.5
149.02296	0.3
150.03139	1.3
155.03394	0.7
159.02798	0.4
161.02348	23.7
161.04379	6.1
162.02695	1.6
165.01906	0.3
175.06049	0.4
178.02620	4.3
193.04980	100.0
193.06900	3.9
194.05312	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	191.0189
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
57.03323	8.7
59.01245	1.0
61.02407	0.4
67.01752	4.0
69.75623	2.6
72.99180	1.4
73.02798	1.8
81.75608	0.4
84.95900	0.5
85.02819	32.5
86.03146	1.2
87.00747	54.7
88.01099	1.2
93.03324	0.5
99.00706	0.5
101.02309	1.0
111.00758	100.0
112.01111	3.5
115.00247	0.5
117.01816	1.1
123.04430	0.8
129.01826	5.3
129.05432	0.6
130.99774	0.9
131.03403	1.6
147.02821	0.8
154.99733	1.4
163.03818	0.6
173.00827	1.9
173.02151	0.5
174.03078	0.5
189.01767	0.5
191.01898	7.7
191.03473	1.7
191.05408	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	191.019
Annotation	5-Dehydro-4-deoxy-D-glucarate
Peak:m/z	Relative Intensity
53.58881	0.1
57.03324	4.8
58.03654	0.1
59.01234	0.5
66.46271	0.1
67.01751	1.0
69.03308	0.1
71.01243	0.2
71.31590	0.1
71.31960	0.1
72.99166	0.2
73.02818	0.2
85.02821	27.2
85.99995	0.1
86.03127	0.7
87.00748	41.7
88.01080	0.9
93.03357	0.1
95.01238	0.1
99.00735	0.4
99.04337	0.1
101.02337	0.7
101.05939	0.3
103.03868	0.3
107.42266	0.1
111.00760	100.0
112.01097	3.9
112.44066	0.1
112.98608	0.1
115.03938	0.1
117.01803	0.2
129.01828	6.8
129.05449	0.2
130.02170	0.2
130.99776	1.0
131.03412	0.2
147.02869	0.6
154.99751	1.0
156.00130	0.1
159.34534	0.1
173.00818	2.4
173.04372	0.1
174.01227	0.1
176.01033	0.2
181.86548	0.1
191.01895	12.8
191.05482	1.6
191.10690	0.1
192.02254	0.6
210.46088	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	193.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	8.2
57.03320	7.6
58.00465	5.9
59.01247	36.2
60.32499	0.8
65.30000	0.7
67.01759	1.1
68.99693	2.0
69.03320	19.1
70.68848	2.3
71.01249	52.4
72.01589	1.7
72.99166	7.2
73.02813	55.1
75.00763	3.0
79.01786	2.9
81.03330	5.4
83.01254	22.5
84.02054	2.1
85.02818	60.1
85.99964	9.3
86.03191	2.0
87.00748	51.2
89.02300	3.5
93.03332	16.8
94.03670	0.9
95.01267	12.4
97.02825	27.6
99.00750	51.1
99.04385	1.2
100.01618	1.0
101.02315	78.5
102.02688	1.8
107.01289	1.2
107.04930	3.2
109.02845	1.2
111.00749	5.9
112.01582	3.4
113.02328	14.2
113.03059	1.3
115.03860	3.8
117.01827	4.3
119.04916	2.5
121.06444	0.7
123.00784	5.8
123.04417	3.0
124.01562	3.3
125.02324	22.5
126.02607	1.0
127.03880	2.7
129.01784	1.5
131.03355	0.9
131.04941	3.7
133.02838	13.5
140.01051	6.5
141.01828	21.1
142.02626	3.9
143.03387	1.2
147.04407	8.9
149.05975	15.7
150.06293	1.0
155.03403	14.5
157.04970	1.4
159.02895	4.6
161.04454	100.0
162.04831	4.5
165.05469	4.4
173.04443	1.4
175.06021	5.4
191.05553	2.7
193.05066	5.4
193.07083	65.8
194.07457	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	189.076
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
56.71789	0.3
57.03320	2.3
59.01244	2.9
65.01321	0.7
69.26511	3.9
71.04889	1.1
82.35470	0.3
83.02412	0.4
83.04929	0.4
85.06485	0.4
91.31930	0.4
99.08031	25.3
100.08381	1.2
105.04398	0.4
108.04534	0.4
120.04399	0.4
127.07541	28.1
128.07904	1.5
129.05464	100.0
130.05803	3.9
143.07056	0.6
145.08606	4.9
147.06731	0.4
148.05023	0.6
171.06538	5.8
189.07605	41.5
190.06442	0.4
190.07912	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	191.0189
Annotation	(2S,3R)-2,3-Dihydroxy-5-oxohexanedioate
Peak:m/z	Relative Intensity
57.03323	7.6
58.06574	0.4
59.01239	1.7
67.01772	2.9
70.72581	1.2
71.01251	0.6
72.99182	2.7
73.02819	2.7
79.78716	0.4
83.01258	0.7
84.46848	0.4
85.02818	37.2
86.03140	1.3
87.00745	51.6
88.01092	0.9
88.94250	0.5
93.03343	1.2
97.30487	0.4
99.00745	1.5
101.02318	1.1
106.73073	0.5
111.00756	100.0
112.01086	4.2
117.01835	2.2
117.61201	0.5
123.02346	0.4
127.03878	0.9
129.01819	5.4
130.99797	0.8
147.02946	0.4
154.99716	2.2
173.00809	2.3
191.01895	7.2
191.05528	20.0
192.05791	0.7
199.52271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0239
Annotation	(E)-3-(Methoxycarbonyl)pent-2-enedioate
Peak:m/z	Relative Intensity
55.01756	16.8
57.03313	3.3
59.01234	8.2
65.00179	5.1
67.01774	3.5
68.99678	36.8
69.29881	29.7
71.01248	86.1
72.99191	14.5
73.02827	3.6
75.00741	6.6
80.99655	4.7
83.01257	32.3
85.02812	9.1
89.02306	10.7
96.99181	19.0
97.99959	10.1
99.00750	100.0
99.04401	3.0
100.98698	4.3
101.02314	12.6
102.90263	3.0
109.99997	7.0
111.00742	14.7
112.64291	2.9
113.02319	3.2
116.01056	3.0
117.01823	12.3
124.98698	7.1
125.02348	12.3
125.09622	22.9
125.99473	14.1
126.99403	4.7
127.00269	53.0
129.01807	9.2
136.98650	4.1
141.01801	4.4
142.99751	23.5
145.01323	5.8
154.99745	13.1
157.01295	8.9
159.02838	3.2
169.01337	37.1
187.02391	62.2
187.03816	2.8
187.09651	14.7
188.03136	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	187.0967
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
51.79124	1.6
57.03315	5.6
57.45040	1.6
58.98130	2.0
59.01249	78.0
64.01780	2.3
65.01316	17.4
65.99706	8.5
66.00837	2.8
66.35074	2.0
67.02838	1.7
68.01280	3.3
70.76208	3.5
70.76569	3.4
71.01265	2.5
72.99175	1.8
82.03989	2.5
89.01323	3.8
91.02888	10.8
92.02411	2.7
97.06470	12.4
99.08020	20.7
106.03999	6.7
107.02379	1.9
109.03926	2.2
115.02916	2.4
117.04461	2.2
118.02849	2.3
118.03987	8.1
119.02370	8.1
119.06068	2.0
120.01942	2.8
120.05519	2.0
121.05080	2.8
122.03481	5.7
123.08022	5.7
124.87012	1.9
125.09606	100.0
126.09945	6.1
127.07525	11.2
130.03996	4.2
132.05544	4.5
133.03978	16.5
134.03494	5.7
142.03978	4.0
143.10715	3.0
144.01898	2.6
144.04379	3.8
144.05562	5.0
144.74286	2.0
145.02803	1.9
145.04001	4.4
145.05060	11.9
145.08598	73.5
146.03485	7.2
146.08936	3.4
147.04263	5.8
157.05090	5.3
159.04434	3.1
160.03874	3.1
160.05069	34.7
160.06282	3.6
161.04503	4.9
169.08560	2.7
172.05203	1.8
184.29260	1.5
187.03888	6.0
187.06151	30.0
187.07600	4.3
187.09677	37.4
187.13332	3.4
188.05730	5.4
189.47920	2.0
203.86206	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	183.1382
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
54.24508	0.4
54.30576	0.4
67.22292	0.4
67.61569	0.4
68.94401	0.4
69.42556	4.2
71.60205	0.4
120.73308	0.5
129.41110	0.4
140.01073	0.8
140.02200	0.4
147.67729	0.4
158.72778	0.4
168.00557	0.8
183.02930	3.2
183.13823	100.0
184.03185	0.5
184.14163	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	183.1381
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
59.01248	1.1
65.01306	1.3
67.01754	0.4
69.28085	0.7
69.28485	3.3
71.01263	0.7
87.57057	0.4
88.49648	0.4
89.01315	0.7
90.00829	0.6
91.02864	0.5
98.02343	0.6
110.00014	0.4
111.00794	2.1
111.04392	0.4
112.03886	0.4
115.02908	0.7
121.06499	0.4
123.04401	0.4
124.01566	1.3
124.03938	0.5
127.00246	0.8
130.04005	0.7
136.98697	1.0
137.09592	0.4
139.00269	1.6
139.07536	0.7
139.11151	0.5
140.01065	2.4
142.04007	1.0
143.03661	0.4
143.04790	1.1
144.04326	0.7
152.98141	0.5
156.05553	2.5
157.05037	2.5
164.98340	0.5
165.01836	0.6
168.00525	3.9
170.33797	0.3
177.00632	0.3
183.00493	0.7
183.02924	17.0
183.04366	0.9
183.06570	2.7
183.10519	2.1
183.13821	100.0
184.03204	0.8
184.06133	0.8
184.14162	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	183.0291
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
55.01753	0.7
65.00185	1.4
67.01746	1.0
68.99683	1.3
70.12279	1.8
71.01250	1.5
72.99194	1.7
78.00993	0.7
79.72144	0.4
82.00463	1.6
83.01254	2.7
85.99976	0.6
87.00752	1.1
95.01257	0.7
99.00734	0.7
106.00483	0.6
109.99969	2.7
111.00758	17.2
113.65427	0.4
123.00764	2.1
124.01550	16.4
127.00266	6.8
136.98700	9.6
137.99084	0.5
139.00266	14.6
140.01051	26.0
141.01338	1.3
148.58351	0.5
151.00264	0.8
154.99779	1.8
168.00554	22.9
169.00870	1.4
183.02910	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	179.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.2
57.03321	0.4
59.01246	2.0
65.01321	0.2
65.99696	0.1
66.16685	0.1
69.03338	0.6
71.01248	2.7
71.44246	0.3
72.99159	0.1
73.02811	0.9
75.00752	0.4
81.03355	0.2
83.01257	0.6
85.02818	2.1
87.00750	9.6
88.01102	0.1
89.02328	0.6
89.03835	0.3
91.05419	0.5
93.00803	0.3
93.03328	0.3
95.01262	0.4
95.04915	0.2
97.02826	1.0
97.03981	0.1
99.00748	2.5
101.02327	1.0
106.04131	0.3
107.01263	0.3
107.04911	1.6
108.02049	0.3
109.02853	0.3
111.00762	0.2
111.01873	0.2
113.02313	0.4
117.01834	1.7
117.03326	0.4
119.01556	0.1
120.01923	0.1
121.02806	0.4
123.04373	0.3
123.08025	0.2
125.02321	1.2
129.01836	0.2
133.02885	0.2
134.03635	5.9
135.04408	100.0
136.04736	5.4
137.02335	0.3
141.01852	0.6
143.39059	0.1
151.03899	0.3
151.07538	0.7
159.02872	0.3
161.02428	0.3
161.04454	5.1
164.01070	0.5
164.04723	0.3
177.03947	0.2
179.03415	17.9
179.05508	4.4
179.07028	1.2
179.10655	0.5
180.03767	1.2
180.05927	0.2
180.07687	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0341
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
52.52448	0.3
57.65779	0.3
60.78976	0.3
64.25430	0.3
66.80051	0.2
69.63988	1.7
69.91338	0.3
71.01231	0.6
73.02778	0.4
81.47735	0.3
87.00730	1.9
89.03835	0.4
89.96414	0.3
91.05415	0.3
97.98671	0.4
98.19835	0.6
99.00726	0.4
106.04129	0.4
107.04865	1.5
117.01792	0.3
117.03291	0.6
134.03642	4.9
135.04408	100.0
136.04747	6.0
141.01825	0.4
145.07437	0.3
161.04463	1.4
179.03416	19.6
179.05458	1.3
179.06908	0.6
180.03755	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	2.7
55.26212	0.8
57.03325	4.1
58.00464	1.0
59.01249	17.5
62.31167	0.7
65.00196	1.0
68.99696	0.9
69.03318	5.6
69.22766	0.7
71.01251	28.4
71.55917	1.2
72.99178	2.5
73.02816	11.6
75.00746	4.9
79.01762	1.8
79.63981	0.7
81.03336	2.8
83.01260	7.3
85.02814	20.7
87.00747	100.0
88.01065	1.7
89.02308	6.7
91.01787	0.9
93.03347	2.6
95.01260	4.9
97.02823	9.0
98.03141	0.8
99.00755	28.1
101.02321	9.8
105.08225	0.8
106.04134	6.0
107.01298	2.4
107.04912	20.1
108.02048	6.9
108.05192	0.9
109.02855	6.6
111.00748	1.5
113.02330	4.4
117.01817	16.1
121.02847	6.9
122.03615	1.5
123.00833	1.2
123.04394	4.0
125.02337	12.0
129.01865	2.3
135.00861	1.0
135.04443	5.4
136.01582	1.0
137.02351	10.6
138.03107	2.4
141.01816	8.1
149.02335	1.0
150.03108	2.4
151.00267	1.2
151.03896	6.1
151.07509	3.9
159.02948	4.0
161.02362	1.9
161.04460	49.7
162.04803	1.9
164.01053	4.4
169.49567	0.8
177.03928	3.0
178.99803	2.3
179.03424	13.0
179.05522	50.6
179.07036	5.3
179.10786	0.8
180.05791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32059	0.6
59.01233	1.8
63.02266	49.1
64.02596	1.1
65.00187	23.8
66.66885	0.6
69.03328	1.0
71.01242	4.6
73.02797	2.1
83.01254	25.1
85.02811	2.8
87.00755	12.5
89.02303	0.8
95.01259	0.9
97.02846	1.4
99.00745	3.4
101.02309	1.4
107.01264	48.7
108.01598	1.9
109.02786	0.7
117.01821	2.4
121.02813	3.1
123.04350	0.8
125.02322	1.7
135.04353	1.4
150.03079	0.7
151.00264	100.0
151.07492	0.6
152.00632	5.4
159.02850	0.8
159.30969	0.6
161.02396	0.8
161.04475	7.5
169.01332	35.4
170.01680	1.2
173.29604	0.6
178.99777	50.1
179.03386	2.7
179.05508	7.0
179.06981	1.3
180.00104	2.6
181.61906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.4
57.03328	0.6
58.02839	0.4
59.01246	4.5
63.02258	1.0
65.00172	0.6
65.01312	0.9
65.99720	0.8
68.01275	0.3
68.99677	0.3
69.03316	1.6
70.04183	0.2
70.97202	0.8
71.01251	8.4
72.99178	0.6
73.02809	2.5
75.00755	0.6
78.07246	0.3
79.01736	0.4
81.03323	0.5
81.04451	0.3
82.03963	0.8
82.36325	0.2
82.86459	0.3
83.01254	2.1
83.02378	0.9
84.04420	0.5
85.02820	4.8
86.84555	0.3
87.00747	25.3
88.01104	0.4
89.02307	1.3
91.05402	0.5
93.00814	0.7
93.03326	2.6
95.01252	1.4
95.02381	0.6
96.00781	0.4
97.02817	2.3
97.03940	0.3
98.03499	0.4
99.00153	0.5
99.00757	6.2
101.02314	3.2
106.04052	0.7
107.01313	1.4
107.04915	2.7
108.02060	1.2
109.02840	0.9
109.03963	1.6
110.02362	0.4
110.03465	0.6
111.00772	0.4
111.01926	0.4
113.02315	1.0
117.01830	4.0
117.03348	1.1
118.02159	0.3
118.03963	0.6
119.02394	0.3
120.01897	0.4
121.02837	18.2
122.03584	1.3
123.00782	0.7
123.04413	3.7
124.04902	0.5
125.02319	3.3
125.03298	0.4
129.01842	0.6
133.02856	1.2
134.03624	6.7
135.04407	100.0
136.01550	0.7
136.03751	0.2
136.04739	5.6
136.59718	0.3
137.02345	2.1
137.03500	0.8
138.03018	0.3
138.06625	0.3
141.01848	2.1
146.03624	1.0
147.00781	0.5
149.02338	1.7
149.04573	0.3
150.03165	1.5
151.00250	2.1
151.03937	2.7
151.07503	1.6
152.04497	0.9
159.02882	1.1
161.02480	1.6
161.04465	13.7
161.05785	0.5
162.03084	0.3
162.04759	0.4
164.01019	1.6
164.04720	1.2
169.01337	1.7
177.04013	0.6
178.99997	1.5
179.03416	23.5
179.05528	16.5
179.07028	2.6
180.03815	1.9
180.05775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	1.6
58.00463	6.9
59.01246	27.3
71.01231	1.7
71.56571	0.8
72.99156	2.5
75.00701	0.8
80.07108	0.7
85.99971	4.0
91.05403	11.2
93.03344	1.3
102.66171	0.8
115.05418	27.8
116.05726	1.7
117.03340	100.0
118.03690	6.4
119.04921	5.1
121.02793	1.7
125.29333	0.8
131.04910	52.5
132.05252	3.0
133.02838	1.3
133.06480	46.2
134.03622	1.1
134.06819	2.4
135.04446	2.2
144.47556	1.0
145.02824	1.0
147.04391	2.8
149.04832	1.7
149.05977	26.9
150.06355	1.4
159.04486	0.8
162.03166	7.7
164.32845	0.8
175.04042	0.8
177.01906	4.7
177.05473	25.3
177.09117	1.5
178.02432	0.8
178.05881	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	177.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01225	0.8
63.63128	0.6
65.01291	0.8
69.33685	5.9
73.25296	0.7
76.32015	0.6
82.03980	0.6
93.03338	0.7
109.64654	0.6
117.03340	40.2
118.04221	4.3
121.02838	27.6
121.03574	0.4
121.03779	0.7
122.03197	1.8
123.04406	9.4
124.04862	0.7
133.02834	5.9
133.06477	1.3
134.03596	3.0
136.05104	0.8
145.02847	60.9
146.03200	2.9
147.04401	0.8
150.06621	0.8
162.03133	15.4
163.03447	1.0
166.73190	0.7
167.46373	0.8
177.01942	2.5
177.05478	100.0
178.05830	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	178.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96177	0.5
59.01254	1.5
61.85246	0.5
63.02267	39.8
64.02600	1.6
65.00191	27.9
66.00534	0.7
69.03314	0.6
71.01239	2.3
71.57585	0.6
71.58063	0.8
72.59235	0.6
73.02816	1.5
83.01254	24.3
84.01502	0.6
85.02815	2.1
87.00745	8.9
97.02832	0.7
99.00757	2.4
101.02296	0.9
107.01266	51.8
108.01612	1.8
117.01833	2.2
121.02829	1.2
124.01543	0.7
125.02355	1.3
129.01804	0.6
135.04422	1.4
137.02330	0.9
141.01820	1.2
150.03133	0.7
151.00266	100.0
152.00633	5.9
161.04456	6.3
169.01329	24.6
170.01712	1.5
178.99767	33.5
179.03290	1.6
179.05548	6.8
179.06982	1.1
180.00105	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	175.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	0.8
57.03326	1.5
58.00455	1.2
59.01250	25.3
65.01312	3.8
65.99712	1.9
66.00830	0.7
67.01742	1.2
68.01295	0.8
71.01251	41.7
72.01566	0.6
72.99178	4.6
73.02814	4.0
77.05770	0.5
81.04461	0.6
83.01257	2.1
85.02819	3.7
85.06442	0.8
87.00750	100.0
88.01082	2.3
91.02900	1.6
92.02418	1.6
92.24210	0.6
99.00751	0.8
101.02357	0.7
105.04514	0.9
106.03998	2.8
107.02376	1.0
112.98689	1.8
113.02326	0.7
115.00258	93.5
115.03930	1.5
116.00612	2.9
118.03999	0.7
120.01947	0.6
120.05557	0.7
121.03914	1.6
127.00263	1.5
129.01836	1.0
132.05515	0.9
133.04076	1.0
133.05103	1.9
134.03532	4.5
148.01491	0.6
148.05078	3.8
149.03484	1.1
154.50047	0.6
157.05084	1.1
174.88983	0.9
175.02417	21.3
175.03824	1.6
175.06233	4.0
175.07544	1.1
176.02707	1.2
176.25426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	7.0
55.87080	4.6
57.03317	7.4
58.00464	7.0
59.01246	56.9
59.49640	4.8
68.99687	20.8
69.03306	18.7
70.26458	5.2
70.86082	11.4
70.86478	10.5
71.01254	68.9
72.99178	12.0
73.02801	16.0
75.00747	10.3
77.06184	5.3
83.01259	12.9
83.63544	4.9
84.02041	12.3
85.02822	30.3
87.00751	100.0
95.01245	8.1
97.02812	15.0
97.47161	4.9
99.00739	23.8
100.01505	10.8
100.98685	55.1
101.02332	5.1
111.00744	7.4
113.02287	5.1
115.00233	46.0
115.03880	21.6
124.01553	12.4
124.98669	20.6
125.02345	8.2
127.97414	47.6
129.01863	7.5
130.99765	5.4
133.05051	9.8
142.99734	5.8
157.01291	6.4
175.02361	10.8
175.03851	16.5
175.06140	27.8
175.07404	6.9
176.03395	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	175.0603
Annotation	2-Isopropylmalic acid 
Peak:m/z	Relative Intensity
53.45396	0.4
57.03321	1.0
59.01251	4.9
59.10238	0.4
62.07009	0.4
65.01306	0.4
68.21927	0.5
71.01241	1.0
71.04890	0.6
71.11469	0.8
71.11789	0.5
81.78168	0.4
83.99751	0.4
85.06457	41.6
86.03442	0.3
86.06808	1.1
87.00764	1.1
87.04384	1.5
92.14525	0.4
100.80067	0.4
104.59767	0.4
113.05964	40.8
114.06310	1.8
115.03889	100.0
116.04228	3.7
125.76481	0.4
128.21747	0.4
129.05457	1.3
131.07027	8.4
131.93964	0.4
147.04465	0.6
148.05054	0.5
157.03659	0.6
157.04961	10.0
158.05180	0.5
175.06029	48.0
176.06384	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	173.0811
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
50.00224	1.1
57.03318	1.2
57.55584	0.6
58.02844	0.6
59.01247	100.0
60.01592	1.9
60.99192	1.1
65.01315	8.6
65.99718	2.6
66.00828	1.5
67.01757	8.3
68.94624	0.6
68.99687	1.1
69.03336	2.9
71.01241	4.8
72.03002	0.7
72.99177	1.8
73.02818	3.9
75.00746	1.0
77.01340	1.6
81.03331	0.7
83.00488	0.6
83.04891	2.9
85.02840	2.3
85.06459	24.1
86.06817	0.9
89.01339	2.2
91.02892	3.1
92.01279	0.8
92.02410	1.4
93.03329	38.0
94.03669	1.7
95.01251	1.2
98.20547	1.6
99.00764	3.8
99.04403	1.3
104.02429	0.8
105.04429	1.5
106.04007	2.2
108.01917	1.4
109.02827	0.9
109.06474	1.2
111.00758	3.8
111.04402	5.9
111.08025	5.9
113.02331	1.7
113.05967	13.7
116.02420	1.4
118.04011	1.1
119.02396	6.1
120.05568	0.8
123.00741	1.0
127.07558	0.8
129.05478	0.8
129.09097	0.9
130.04018	2.9
131.03555	2.8
131.07028	96.9
132.01971	0.7
132.05582	2.7
132.07361	4.0
133.05109	1.2
137.02348	1.8
140.00983	1.0
142.99751	0.8
143.03520	1.8
144.04399	1.3
145.02827	1.8
145.05106	1.3
146.03502	11.2
146.07156	1.0
147.01947	1.3
147.03021	1.4
147.04390	0.7
147.05547	1.5
155.03404	1.1
173.02307	1.4
173.04550	15.8
173.05907	1.0
173.08099	5.3
173.11742	2.8
174.02937	1.0
174.05275	1.2
174.06679	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	173.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00195	1.7
53.55006	1.1
55.01762	6.9
57.03321	6.1
59.01248	3.5
67.01754	5.5
68.99682	3.8
69.03322	1.2
70.77499	3.5
71.01254	100.0
72.99168	3.9
73.02830	9.0
74.62708	1.4
75.00724	1.3
80.99667	1.5
83.01260	8.2
85.02816	16.1
85.99969	1.7
87.00771	6.8
93.03357	9.7
95.01256	1.5
96.99178	4.7
99.00758	38.4
100.01052	1.7
111.00761	58.7
111.04389	1.4
112.01073	1.6
112.98683	7.2
113.02310	3.7
115.00280	3.5
123.00755	1.7
124.98696	32.7
128.41150	1.1
129.01790	3.8
131.62349	1.3
142.99759	51.0
144.00076	3.5
144.28864	1.2
154.99738	2.2
173.00854	12.6
173.04440	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	172.097
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.03331	0.4
58.02852	1.5
59.01257	1.8
60.99163	0.3
65.01315	2.0
65.99718	0.8
66.00835	0.3
67.01756	2.3
69.03329	0.5
69.44970	0.6
69.45387	1.6
71.01254	2.8
72.99187	0.7
73.02811	1.1
77.01324	0.3
79.02894	0.2
82.06493	0.4
82.65064	0.2
83.01261	0.4
83.04940	0.3
85.02839	0.5
85.06481	0.3
89.01318	0.4
90.00842	0.2
91.02927	0.3
93.03333	7.7
95.01254	0.6
97.02831	0.3
99.00764	0.8
101.01170	0.2
101.02300	0.3
103.01675	0.2
105.04456	0.3
106.04040	0.7
111.00778	1.2
111.04408	1.2
111.08044	0.7
112.98733	0.6
113.02334	0.6
115.92001	0.2
118.03985	0.6
119.02383	0.7
119.04895	1.5
120.05563	0.3
120.13522	0.2
123.00761	3.4
123.04421	1.0
127.07451	0.4
128.10677	2.5
130.04070	1.3
130.08624	100.0
131.03543	0.7
131.07002	1.0
131.08972	3.9
132.02039	0.5
132.05548	0.3
133.02837	0.7
135.04425	0.3
136.98715	0.4
137.02348	0.4
139.00258	1.6
140.01071	1.8
141.01814	0.6
142.99753	0.4
143.03540	0.6
144.04390	0.5
145.01413	0.3
145.02884	0.4
145.03951	1.0
145.05070	1.1
146.03502	1.8
147.04414	3.0
151.00273	2.1
172.03828	0.6
172.05008	0.7
172.06230	1.4
172.09691	11.3
173.04588	3.0
173.08224	0.5
173.09982	0.7
173.11653	0.4
178.84795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00174	1.1
55.01755	6.8
57.03320	3.3
58.02839	0.8
59.01247	4.6
60.99191	0.4
61.97125	0.4
63.08832	0.3
64.60684	0.4
64.85682	0.4
67.01755	4.6
68.99679	4.6
69.03322	0.9
70.97491	1.0
71.01248	100.0
72.01587	2.5
72.99176	7.7
73.02815	9.5
75.00731	0.9
80.99693	1.0
83.01254	10.4
83.04888	1.4
85.02818	59.9
85.99988	0.7
86.03154	1.9
87.00747	4.2
92.36469	0.3
93.03327	11.2
95.01242	1.2
96.99181	3.6
97.02813	0.6
99.00749	37.9
99.04395	1.1
100.01075	0.8
100.98645	0.6
101.02315	1.6
111.00756	32.0
111.04406	3.9
111.08038	0.7
112.01101	1.1
112.98685	6.8
113.02309	0.9
115.00245	4.8
123.00800	0.7
124.98691	26.1
125.99442	1.6
127.00247	0.9
128.07037	0.9
129.01811	9.9
130.02159	0.6
131.08156	0.7
137.02353	1.8
142.99754	48.4
144.00061	2.0
145.01343	0.9
154.99757	5.2
155.03346	0.8
173.00827	16.6
173.02327	0.8
173.04456	2.8
173.09309	0.5
173.11702	0.4
174.01550	1.7
174.07591	0.5
188.61148	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35703	0.3
58.02848	100.0
58.43112	0.3
59.03185	1.7
61.98697	0.3
67.01763	0.8
67.10602	0.4
69.03335	5.1
69.86757	0.4
69.87065	2.0
70.02829	0.6
72.99233	0.3
73.86822	0.3
75.64762	0.3
79.01787	0.4
81.03333	1.3
82.95288	0.5
83.01247	0.5
84.26363	0.4
95.01238	0.7
97.02837	4.0
97.93925	0.3
107.01241	0.4
123.00768	0.4
124.01575	1.0
125.02334	68.6
125.09615	0.5
125.99487	0.4
126.90280	0.4
141.01869	0.4
145.81258	0.4
151.00243	0.5
153.01344	0.4
153.98903	0.4
168.13850	6.2
169.01332	22.4
169.12355	0.4
169.14131	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	7.5
62.55574	0.4
63.02264	2.9
65.00191	11.4
67.34459	0.4
69.03331	0.8
69.46347	2.6
69.46752	0.7
71.01256	0.5
81.03328	5.1
83.01256	35.5
84.01627	0.5
91.53188	0.4
97.02820	0.5
107.01270	17.2
108.01606	1.2
108.99179	0.5
110.02294	0.4
124.01588	0.5
125.02339	36.9
126.02642	1.8
133.54651	0.4
142.04005	0.9
151.00270	100.0
152.00616	5.2
163.26746	0.3
166.99164	0.3
169.01335	73.1
170.01674	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	166.05
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32233	0.3
59.01242	0.5
59.18904	0.3
64.43262	0.3
65.00217	0.3
66.03345	0.5
67.01746	0.6
69.52466	2.6
71.01260	0.4
73.23302	0.3
80.04928	0.6
81.03322	0.4
81.04440	0.6
82.02837	0.3
82.03986	0.6
83.04869	0.3
91.01776	0.7
93.03325	1.1
94.02859	0.4
94.94186	0.3
95.01262	1.9
95.04916	0.6
97.02864	0.3
97.03958	2.4
100.62975	0.3
103.91914	0.4
106.04005	0.4
108.02056	6.0
108.04448	0.6
109.02850	0.3
111.00751	0.7
121.02838	12.8
122.03149	4.2
122.05990	0.7
123.00758	2.3
123.03471	0.6
123.04411	6.8
123.08031	0.7
124.01543	0.7
124.03940	0.8
124.05046	1.7
124.89056	0.3
125.02316	0.8
136.05209	10.0
137.02321	0.6
137.05550	0.5
138.02742	0.4
138.05502	0.8
139.00237	0.6
139.03899	0.8
139.04968	0.4
139.07492	0.4
140.02425	0.4
151.00362	1.7
151.02646	22.3
152.01064	12.0
152.03012	1.2
152.04701	0.5
166.05003	100.0
166.83340	0.7
166.99789	0.5
167.03418	7.2
167.05336	6.5
167.07047	1.6
167.81128	0.3
183.01643	11.2
184.02003	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0341
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
50.96670	0.3
54.80593	0.3
57.07233	0.4
57.35969	0.3
60.11916	0.4
60.66393	0.3
65.01302	0.4
65.99705	0.7
67.01747	1.5
67.02853	0.4
68.01279	0.7
68.99681	1.0
69.03297	0.4
70.92253	0.8
71.01234	0.4
72.99179	0.9
81.03331	0.4
82.02838	0.4
82.03985	0.8
83.01247	2.6
83.02369	0.4
87.55730	0.3
91.01779	0.7
95.01263	4.7
95.02347	0.4
95.04918	0.5
97.03960	0.8
98.02341	0.6
107.01264	1.2
108.02039	5.8
109.03905	0.4
111.00761	13.2
111.04422	0.4
121.02779	0.5
123.00764	7.1
123.04413	2.3
123.05202	0.3
123.05585	0.4
124.01555	12.7
124.04996	0.7
125.02339	0.6
125.03439	1.4
126.01863	0.4
126.02935	0.4
135.00775	1.3
136.98685	0.7
137.02344	0.4
137.03458	0.4
137.99535	0.4
139.00261	3.8
139.03908	0.5
140.02441	1.6
141.01941	0.7
149.36121	0.3
150.03130	0.5
152.01053	35.9
153.01382	1.9
158.56068	0.3
167.03407	100.0
167.07074	1.9
168.03804	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	166.05
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10977	1.7
68.99693	4.9
71.46102	3.3
81.03349	2.7
83.04893	2.1
85.02825	3.5
89.23321	2.2
92.12014	1.9
93.03361	5.2
95.01299	4.6
95.04917	4.5
97.02863	3.3
99.04396	6.0
108.02050	49.6
108.04456	3.1
108.05252	3.0
109.02867	16.0
121.00294	1.6
121.02848	4.8
122.03633	63.3
122.06030	2.6
123.00789	9.4
123.04420	100.0
123.07995	2.0
123.60769	1.7
124.01567	2.9
124.03944	3.9
124.04727	3.5
125.02362	3.9
127.03838	2.4
136.04744	4.9
137.02318	11.5
138.05594	3.2
139.03897	4.3
139.07576	2.3
144.01457	1.8
149.02359	14.1
150.02971	2.0
151.00298	11.8
151.03490	2.1
152.01064	34.0
166.02713	3.1
166.04970	26.5
167.03372	16.8
167.07063	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	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07917	0.7
57.03323	4.5
59.01245	4.5
65.00184	1.4
65.96846	0.8
65.99691	0.9
66.03357	1.6
67.01758	1.2
67.93395	0.8
69.03342	1.2
71.01257	3.4
71.04911	0.7
71.55323	0.7
72.99186	1.4
73.02837	0.7
75.00761	0.9
77.03835	6.4
80.02563	1.2
81.03322	4.4
82.03996	2.7
83.04888	8.3
87.00748	1.9
88.26611	0.7
89.02308	2.3
91.01793	1.0
92.99714	2.1
93.03328	7.6
95.01270	1.3
95.04897	4.2
97.03948	1.6
97.06445	9.8
97.07012	0.9
101.02280	1.2
103.78626	0.8
105.01827	0.9
106.04097	1.1
107.04900	7.0
108.02040	1.0
108.04440	0.8
109.02850	4.4
109.06493	2.0
110.02312	1.0
111.08052	11.8
119.04863	1.9
121.02840	100.0
121.06493	1.4
122.03199	4.4
122.06048	1.1
122.89330	2.1
123.00768	1.2
123.04403	4.5
124.03929	1.9
124.05039	0.7
135.04416	13.9
137.02332	12.0
137.05956	1.9
138.02747	0.8
138.05542	1.5
141.91200	0.9
144.22951	0.8
147.04434	3.9
147.11661	0.8
149.00870	2.2
149.02361	1.4
150.03119	11.1
151.00276	2.6
156.17567	0.8
159.30138	0.7
163.11191	2.4
164.83527	58.2
164.89540	3.3
165.01820	15.6
165.04109	1.5
165.05482	10.6
165.09123	3.1
165.12750	18.5
165.56396	0.7
165.83551	1.4
166.02260	1.3
166.04913	4.3
166.13069	2.2
170.83826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03038	1.7
57.03319	28.6
59.01251	5.1
65.00177	1.3
66.03352	1.1
67.01756	1.3
68.99641	0.9
69.03329	2.2
71.01237	4.4
71.04895	2.8
72.99183	1.9
73.02811	1.3
75.00759	1.6
77.03830	5.6
80.11341	0.9
81.03333	2.5
81.04476	0.8
82.03979	4.3
82.37397	0.7
83.01249	0.8
83.04890	6.3
85.02821	3.1
85.73703	0.6
87.00742	2.5
89.02338	2.3
91.01756	0.7
92.99691	1.9
93.03325	8.7
94.02874	0.8
95.01266	1.3
95.04881	2.5
97.03960	1.8
97.06473	5.3
101.02313	2.2
105.01797	1.8
106.04091	1.0
107.04903	8.8
108.02056	2.0
108.04476	1.0
109.02844	5.0
109.06473	4.2
111.08030	49.4
112.08359	2.0
117.01834	0.8
119.04934	3.0
121.02837	100.0
121.06489	2.2
122.03201	5.9
122.03756	0.8
122.05992	1.3
123.00745	2.1
123.04395	4.9
123.08175	0.7
124.03917	1.8
124.05033	1.5
135.04424	14.6
136.01569	1.0
137.02350	16.1
137.05960	1.0
138.01791	1.1
138.02722	1.2
138.05489	1.3
139.03906	0.8
147.04424	4.5
147.11737	1.1
148.04836	1.2
149.02264	1.1
150.03096	10.9
151.00308	1.9
163.11183	1.8
164.83504	15.9
164.89433	4.3
165.01839	17.6
165.04073	1.3
165.05464	10.0
165.09058	4.4
165.12752	88.3
166.04897	5.2
166.13081	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52315	1.0
52.51811	1.2
58.00469	42.2
59.01253	10.6
64.12055	1.0
65.00203	2.2
65.01327	2.5
65.03822	1.2
65.99733	2.1
66.03333	1.1
67.02888	1.7
69.25710	3.4
69.26130	9.4
71.01258	8.9
72.99189	3.5
75.00752	1.8
75.66123	1.0
77.03838	6.2
80.04963	1.5
80.41855	1.3
81.03333	3.2
81.04468	4.4
82.02868	1.4
82.03979	13.9
83.01252	1.3
83.02386	2.5
85.02803	2.0
87.00765	1.8
89.02325	2.6
92.99704	1.6
93.03336	36.0
93.03916	2.1
94.02872	1.7
94.03671	2.3
95.01274	1.7
95.02352	1.4
95.04918	2.3
96.05598	1.3
97.02828	1.6
97.03965	10.0
97.24606	1.1
101.02348	2.2
106.04101	2.9
107.04910	44.9
108.02048	5.1
108.04433	1.5
108.05251	1.6
109.02847	5.5
109.03977	2.8
119.04918	45.8
120.05245	2.8
121.02843	100.0
121.06487	1.4
122.03494	7.4
122.06030	1.6
122.89293	1.0
123.00803	2.5
123.01852	1.6
123.03099	1.7
123.04422	7.7
123.05594	2.5
123.06629	2.1
123.68747	1.1
124.03981	1.5
124.05052	7.9
131.04347	1.2
134.03622	2.1
135.04416	35.3
135.05435	2.2
136.04778	2.1
137.02364	13.7
137.05974	5.8
138.02974	1.5
138.05531	2.3
138.06601	1.0
147.04407	10.7
148.05054	1.1
149.00896	1.5
149.02357	2.2
150.03140	11.3
151.00269	4.3
163.03922	2.6
164.83534	3.6
164.89526	4.1
165.01843	17.6
165.04079	4.0
165.05458	33.5
165.07701	2.2
165.09137	7.0
166.01355	1.5
166.04871	2.7
166.06000	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	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	100.0
59.00799	1.4
59.01246	17.2
69.31427	5.6
69.31859	5.9
71.01244	17.5
72.99170	5.6
75.00741	23.2
79.27599	1.1
81.03332	1.9
87.00742	24.6
89.02296	1.7
89.25013	1.2
93.03332	56.8
94.03683	1.4
99.00766	3.6
100.90630	1.1
101.02330	1.2
105.01813	14.7
106.04128	4.0
107.04900	64.2
108.02044	3.0
108.05244	4.9
109.02814	1.9
119.04910	76.1
120.05248	4.0
121.02838	11.5
122.03672	2.0
123.04405	4.1
129.01831	2.1
134.03629	2.5
135.04408	37.4
136.04733	2.5
137.02309	3.7
137.05963	4.6
147.02951	2.0
147.04419	10.2
150.03094	4.4
163.03894	6.4
165.01816	4.1
165.03958	17.2
165.05487	27.4
165.70230	1.0
166.05826	2.1
170.36380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00467	76.2
59.01252	18.6
63.65003	2.2
64.76184	2.4
70.80084	5.4
71.01247	17.5
71.08099	2.3
72.99174	6.9
73.02811	2.9
75.00733	3.5
81.03328	4.8
84.75709	2.3
87.00758	2.6
93.03332	71.2
95.01228	2.8
106.04066	4.0
107.04193	5.5
107.04908	100.0
108.02040	7.5
108.05299	3.1
109.02826	10.1
119.04044	4.4
119.04910	91.1
120.05231	6.8
121.02832	38.0
122.03585	9.0
123.00769	3.8
123.04391	11.2
134.03604	5.8
135.04416	98.5
135.05428	6.0
136.04805	4.3
137.02338	19.2
137.05975	8.7
138.02731	3.2
146.84634	3.2
147.04398	16.6
148.04790	4.5
149.02357	2.6
150.03137	28.9
151.00291	7.2
163.03941	5.8
164.01079	3.8
165.01797	12.2
165.04106	4.3
165.05467	54.1
165.07614	3.8
165.09103	8.6
166.02556	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89134	1.3
58.00465	50.9
58.02840	3.0
59.00797	1.8
59.01246	11.6
65.00188	2.4
65.01323	9.2
65.99702	4.1
66.00854	1.9
67.02885	5.3
68.01298	3.9
69.48048	1.2
69.48325	12.1
70.02844	1.8
71.01244	14.5
72.99181	3.9
73.02824	2.5
75.00750	5.0
77.03828	5.1
79.01750	1.8
79.02864	1.8
80.02371	1.4
81.03327	4.4
81.04466	6.6
82.02876	2.4
82.03974	16.2
83.02383	4.1
85.02824	2.1
87.00760	5.3
88.36288	1.9
89.02312	2.2
92.02367	1.5
93.03336	40.3
94.03642	2.2
95.01248	2.6
95.02380	6.0
95.04869	2.5
96.00761	2.7
96.01945	1.5
97.03938	13.0
98.02406	1.4
99.01872	1.6
101.02293	1.9
101.35461	1.4
103.22641	1.6
105.01821	4.5
106.04128	2.9
107.02408	2.1
107.04908	59.1
108.02026	5.5
108.04458	2.2
108.05251	2.9
109.02837	6.5
109.03957	4.8
119.04913	54.9
120.01946	1.6
120.05244	2.4
121.02841	100.0
121.06452	2.8
122.02384	2.5
122.03478	12.2
122.05973	2.8
123.00700	2.3
123.01876	5.0
123.03043	2.7
123.04401	6.5
123.05518	5.5
124.04034	3.4
124.05048	16.2
125.03477	2.8
135.04414	43.1
136.01645	1.4
136.05190	8.1
137.02376	14.9
137.03375	2.0
137.05991	6.1
138.01816	2.0
138.02962	3.7
138.05510	3.1
138.06546	1.6
139.05017	4.0
147.03191	2.1
147.04388	11.9
148.01430	1.7
148.04976	2.5
149.00816	2.8
149.02324	3.6
150.03104	15.4
151.00269	4.6
151.02631	10.1
163.03894	5.2
164.89490	3.4
165.01860	16.9
165.04030	8.3
165.05460	32.1
165.07761	2.3
165.09082	7.8
166.02713	2.1
166.04980	55.8
177.55090	1.4
183.01654	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	165.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.7
57.03315	1.4
58.00468	0.4
59.01249	10.7
62.96285	0.4
65.99718	0.8
68.99694	0.9
69.24348	3.9
71.01250	11.8
72.01552	0.4
72.99179	10.5
73.02814	3.2
75.00744	84.0
76.01083	1.5
78.95782	1.1
83.01260	1.1
85.02826	1.8
87.00748	100.0
88.01076	2.1
89.02313	4.4
93.03320	0.7
94.02866	0.4
99.00745	9.5
100.01126	0.4
101.02322	4.6
105.01812	73.4
106.02137	1.7
107.04881	0.5
108.02024	0.4
111.00748	0.8
117.01817	3.2
119.03362	1.2
121.02848	2.1
123.04351	0.4
124.18569	0.3
129.01834	7.7
130.02234	0.6
135.02892	2.0
135.04375	1.7
136.96364	0.8
137.02344	1.0
147.02884	9.5
147.04459	0.6
148.03214	0.8
150.03123	1.4
150.28809	0.4
165.03955	69.3
165.09119	1.1
166.01416	0.8
166.02930	0.5
166.04152	2.4
166.06340	0.4
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
50.22071	0.1
56.00333	0.1
57.46407	0.1
65.01326	0.2
65.52484	0.1
67.61238	0.1
69.26120	0.3
69.26518	1.4
91.05390	0.1
93.03313	0.7
98.19817	0.3
119.04909	100.0
120.05234	6.4
120.50578	0.1
121.05067	0.4
163.03915	7.3
164.04283	0.5
166.09541	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33411	0.2
55.17719	0.2
55.97947	0.2
59.01241	0.5
65.01311	1.5
65.99709	0.7
66.00828	0.4
67.02873	0.4
68.01281	0.2
69.55288	0.9
69.55699	0.5
71.01234	0.4
73.02805	0.2
77.01348	0.2
79.02876	0.2
81.04462	0.5
82.03979	1.9
83.02354	0.6
85.02804	0.3
89.70238	0.2
91.01772	0.6
91.02877	0.4
91.05393	0.4
92.02417	0.4
93.00852	0.2
93.03329	1.9
93.04424	0.3
94.02855	0.4
95.01238	0.3
95.02415	0.4
95.06035	0.2
98.19853	0.4
101.02264	0.4
102.07130	0.2
106.04037	0.8
107.04890	0.3
109.03934	0.5
111.00835	0.2
117.03324	0.2
118.03993	0.4
119.04910	100.0
120.04368	0.5
120.05226	6.2
121.02793	0.4
121.03984	1.2
121.05083	4.6
122.02422	0.2
122.03475	0.7
123.01897	0.3
123.04402	0.3
129.05775	0.2
130.04131	0.2
134.03572	0.8
135.00743	0.4
135.04401	0.8
136.01457	0.2
136.05025	1.5
137.03461	0.7
146.03459	0.3
147.04404	0.5
150.11313	0.2
152.15729	0.2
162.89305	0.4
163.00243	1.4
163.03914	7.9
163.06116	1.8
163.07555	0.6
164.03302	0.3
164.04567	1.2
164.07027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.14472	0.2
59.01244	0.7
65.01315	1.7
65.99719	0.9
66.00818	0.5
66.16678	0.1
67.01732	0.2
67.02868	0.4
71.01250	0.3
73.02816	0.2
77.01317	0.4
79.02892	0.2
81.04449	0.5
82.03973	3.3
83.02374	0.5
83.77985	0.2
85.02824	0.4
86.14514	0.2
91.01793	0.8
91.02872	0.2
91.03983	0.1
91.05406	0.5
92.02424	0.5
93.03324	1.8
93.04476	0.4
94.02853	0.5
95.01232	0.1
95.02390	0.4
95.06042	0.7
96.04462	0.2
97.03944	0.7
98.20551	0.4
101.02300	0.6
106.04002	0.7
107.02393	0.2
107.04910	0.6
109.03937	0.5
117.03332	0.2
118.03996	0.3
119.04913	100.0
120.01986	0.2
120.04337	1.0
120.05281	5.6
121.02773	0.5
121.03978	2.3
121.05078	8.3
122.03513	0.9
122.05390	0.3
123.01894	0.2
123.05556	0.2
124.02724	0.2
125.02320	0.2
134.03564	0.8
135.00795	0.4
135.04410	0.8
136.01447	0.3
136.04034	0.2
136.05061	2.3
137.02379	0.2
137.03427	0.4
146.03502	0.9
162.89192	1.0
163.00275	2.2
163.02525	0.4
163.03918	7.7
163.06067	2.5
163.07509	0.5
164.01015	0.4
164.04494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0392
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.21324	0.2
59.01242	0.3
65.01314	0.4
65.99709	0.2
71.16030	0.3
73.83195	0.2
75.55401	0.2
82.03986	0.3
82.44337	0.1
85.02807	0.2
89.65815	0.2
91.01785	0.5
91.05411	1.4
93.03333	1.5
93.84686	0.2
96.03832	0.1
101.12675	0.2
106.03993	0.3
108.16159	0.2
116.38450	0.2
119.04910	100.0
120.04458	0.2
120.05236	5.2
121.02814	0.2
121.04080	0.2
121.05065	1.0
134.03595	0.4
135.04413	0.4
136.05020	0.4
137.02483	0.2
137.03445	0.3
163.00255	0.8
163.02597	0.3
163.03909	6.5
163.06105	0.6
163.07420	0.2
164.00812	0.2
164.04399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82735	4.2
59.01243	7.3
61.58112	4.4
65.01309	12.3
65.99724	5.1
69.92072	22.7
70.69846	4.5
89.89925	4.8
91.01770	16.2
91.05405	100.0
93.03350	24.6
101.02278	5.9
107.04914	26.8
108.02066	4.7
111.66229	4.2
117.03349	5.1
119.01298	4.1
119.04910	98.6
119.68895	5.1
121.02844	22.4
121.05085	18.6
122.03564	12.9
123.04401	4.9
134.03578	29.1
135.04413	78.5
136.04997	6.0
137.03421	5.8
145.02820	6.7
163.00246	19.4
163.03906	55.6
163.06090	14.7
163.07513	8.9
164.04596	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	163.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01241	1.7
65.01315	2.4
65.99715	1.8
66.00823	0.7
67.02850	1.0
71.01231	1.0
71.05210	1.0
71.05555	1.1
77.24417	0.5
79.02859	0.8
82.03988	1.3
85.02813	1.5
91.01767	2.0
91.05396	4.9
92.04980	0.6
93.00829	0.7
93.03326	3.8
94.02859	0.8
95.02398	0.8
101.02341	2.3
106.04005	1.4
107.04929	1.9
108.02034	1.2
118.14091	0.6
119.04913	100.0
120.04418	1.2
120.05199	6.5
121.02790	0.8
121.03986	1.2
121.05082	5.4
122.03495	1.1
133.05116	0.8
134.03581	4.0
135.00745	1.1
135.04402	6.2
136.01512	0.7
136.05013	1.7
137.03424	1.2
145.02855	0.9
145.45413	0.6
147.04456	0.7
150.64656	0.5
162.89215	0.8
163.00281	5.5
163.02512	1.4
163.03894	13.0
163.06032	3.0
163.07526	1.5
164.01013	1.4
164.04568	1.9
184.81329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
59.01243	0.8
60.45161	0.3
65.01323	1.9
65.99397	0.4
65.99718	1.3
66.00826	0.6
67.02885	0.7
68.01270	0.5
68.45550	0.3
69.58330	0.8
69.58743	2.4
71.01225	0.5
72.72511	0.3
80.14922	0.3
82.03973	3.4
83.02399	1.0
85.02813	0.7
85.65778	0.4
91.01791	0.7
91.02898	0.6
93.03323	1.8
93.04430	0.3
94.02844	0.6
95.06028	0.5
97.03973	0.4
101.02285	0.8
106.04007	0.7
107.04909	0.7
108.02020	0.4
109.03950	0.8
119.04913	100.0
120.04378	0.7
120.05218	6.2
121.02743	0.7
121.03983	2.4
121.05083	7.9
122.03500	0.8
133.02895	0.6
133.05077	0.6
134.03569	1.7
135.00797	0.4
135.04448	1.0
136.04048	0.6
136.05072	2.4
137.03452	0.9
146.03455	1.1
150.58629	0.4
162.83833	0.7
162.89249	1.0
163.00285	2.0
163.02518	0.7
163.03903	8.8
163.06067	2.1
163.07407	0.7
164.04457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.8
57.03314	4.3
57.49576	0.9
58.00467	1.8
58.88277	0.9
59.01250	28.0
65.01309	9.2
65.99709	2.8
66.00820	1.6
68.01280	1.6
69.03326	3.8
70.45881	2.3
71.01252	25.7
72.99176	3.3
73.02814	17.1
75.00743	1.5
81.03328	5.3
82.47645	1.0
83.01254	10.6
85.02821	38.6
86.03152	1.5
87.00766	6.6
89.02305	6.4
91.02356	1.3
91.02883	6.0
92.02457	2.1
93.00817	2.1
95.01275	1.6
97.02822	5.5
99.00757	4.3
99.04397	1.1
101.02320	5.2
105.03329	3.5
106.04009	2.3
107.02394	1.2
108.01953	1.3
113.02341	1.6
115.01754	1.0
117.03365	3.2
118.02896	1.8
118.04018	0.9
119.02406	2.1
120.01930	3.6
120.05574	2.5
121.02705	3.8
122.42788	1.0
123.04384	2.2
125.02328	3.0
131.03380	11.6
132.02071	10.4
132.03682	1.2
132.05556	1.4
133.02852	100.0
134.03461	13.0
135.05606	1.2
143.03487	1.8
159.02882	1.5
160.01657	1.2
160.89243	1.5
161.02356	87.8
161.04430	29.9
161.05846	2.4
161.08180	2.4
161.09564	1.2
162.01695	1.5
162.02849	4.6
162.04774	1.4
162.06630	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	154.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49648	1.0
55.01756	100.0
56.02088	3.2
59.01236	0.9
65.00197	1.2
67.01765	2.4
68.99680	1.3
70.97842	2.4
71.01251	16.5
72.12592	0.8
73.02806	1.0
83.01256	53.5
84.01571	1.2
93.03349	1.9
95.01260	4.4
95.18661	0.9
98.95943	0.8
99.00764	3.0
111.00787	5.2
111.04402	1.0
112.01566	3.4
112.98653	1.2
114.05478	3.9
123.00755	4.0
127.00266	17.8
140.01065	10.9
141.01280	1.0
142.81667	0.9
154.99765	70.2
155.03415	3.5
156.00113	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	157.1225
Annotation	Nonanoic acid
Peak:m/z	Relative Intensity
54.39009	0.3
57.03322	0.6
59.00988	0.4
59.01252	5.9
65.01307	0.3
68.99689	1.2
69.03322	1.2
71.01231	1.2
71.56966	0.4
75.00735	2.0
80.41555	0.4
81.03300	0.3
83.04877	0.3
84.99180	3.8
85.02805	1.0
85.06444	0.4
87.00761	0.4
89.01289	0.4
95.04877	0.4
96.95892	1.2
97.02822	0.5
99.00748	1.2
111.00687	0.3
111.08021	0.7
112.92135	1.2
113.05983	0.7
113.09592	1.4
114.93249	0.4
115.00247	0.8
115.02880	0.7
115.51321	0.3
116.07024	0.4
125.69704	0.3
127.00253	2.6
128.98215	0.4
130.04001	1.3
130.06512	0.4
139.07573	0.4
139.11148	0.5
142.02640	0.4
149.35397	0.3
154.80412	0.3
156.89359	2.0
157.01303	0.8
157.05045	2.5
157.08710	5.0
157.12244	100.0
158.03488	1.1
158.12567	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	153.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.5
57.03325	0.3
58.02839	0.4
59.01229	0.3
62.68962	0.3
63.35336	0.3
65.00193	1.3
65.03824	0.4
66.03368	0.7
67.01750	0.5
68.99684	0.6
69.03315	1.1
70.97739	0.8
71.04887	0.6
72.99184	0.6
81.03319	3.3
82.02845	1.6
82.87264	0.3
83.01269	1.2
83.04890	0.7
85.02840	0.3
85.03976	0.3
91.01768	1.0
95.01273	0.7
96.99201	0.5
97.02827	1.7
97.06460	6.7
98.06791	0.3
99.08040	2.5
107.01250	0.5
108.01360	0.5
108.02055	7.2
109.02831	100.0
109.06487	1.5
109.99965	6.4
110.02407	0.4
110.03146	5.9
110.05928	0.4
111.01888	0.5
111.05556	0.3
111.08072	0.3
112.03928	0.8
112.05064	0.5
123.00755	0.4
123.04443	0.6
123.16845	0.3
124.01492	0.3
124.03938	2.3
125.02336	3.6
125.06042	0.5
125.09605	0.7
126.02715	0.4
135.04439	0.8
136.03946	0.9
137.09618	0.8
137.99484	13.2
138.01987	0.4
138.99838	0.5
151.00253	2.0
151.11171	0.8
152.91704	0.5
153.01834	22.1
153.05499	1.7
153.09163	0.6
153.12750	23.1
154.02165	1.4
154.03941	0.3
154.05020	2.1
154.06047	0.4
154.13103	2.0
169.77496	0.3
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
59.01247	1.5
60.10321	0.1
62.47628	0.1
65.00195	0.3
65.01337	0.2
65.99708	0.3
66.03357	2.9
67.02881	0.4
68.01276	0.1
68.99680	0.2
69.03322	0.3
69.36337	1.1
69.36744	0.3
72.04413	5.8
79.95620	0.3
80.96385	1.3
81.03320	0.6
81.04449	0.6
82.02843	0.6
82.03977	0.4
83.01260	0.4
83.02383	0.4
95.01199	0.2
95.02399	0.2
96.95902	0.2
97.02826	0.4
106.04049	0.2
108.02038	1.2
108.04436	0.4
108.05238	0.2
109.02835	12.3
109.03902	0.8
109.06477	0.2
109.99064	1.5
109.99973	1.3
110.02343	0.4
110.03465	0.5
111.00793	0.2
111.01859	0.3
111.04357	0.1
121.02828	1.0
122.03621	39.4
123.00762	0.2
123.03939	2.3
124.04837	0.5
125.02317	0.8
125.03405	0.2
134.03510	0.2
135.04428	0.2
136.01463	0.2
137.01889	1.1
137.99490	2.7
141.89719	0.2
151.00179	0.3
152.00174	2.5
152.03432	100.0
153.01868	4.2
153.03775	5.4
153.05490	0.4
167.17818	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	150.0313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	0.8
63.32775	0.7
64.71709	0.7
65.01310	3.4
65.99716	2.8
67.02880	4.2
71.01254	2.8
71.56956	1.0
72.99178	0.7
81.51216	0.8
82.02847	1.4
89.02314	2.2
93.03352	1.4
94.02853	0.9
95.01278	1.8
106.04005	1.1
107.04916	7.3
108.02013	2.7
108.05583	1.8
109.02823	1.4
109.03960	2.5
120.01933	1.7
121.02820	4.9
122.03659	5.5
123.00772	5.0
123.01891	2.9
123.04398	13.6
133.02795	0.7
133.05096	1.0
136.00500	1.8
136.01558	36.4
137.02348	1.6
139.03897	2.5
139.23955	0.7
149.02319	5.5
150.03123	100.0
150.06497	1.4
151.00179	1.3
151.03938	20.1
151.05977	1.0
151.07542	1.2
154.02644	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	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13756	0.4
59.01248	3.5
63.02258	1.6
63.49454	0.4
65.00190	2.0
65.01304	1.2
65.99722	1.6
66.00842	0.5
66.03356	1.3
67.01759	0.6
67.02881	2.4
68.01285	1.1
68.99680	0.6
69.03327	0.5
70.06273	1.6
71.01241	2.4
71.01567	0.4
72.04415	7.8
72.99191	0.5
79.01734	0.4
79.95601	1.2
80.04932	0.6
80.96386	1.9
81.03309	0.6
81.04442	1.6
82.00474	1.0
82.02853	1.4
82.03979	1.1
83.01266	1.1
83.02382	1.3
88.35593	0.4
91.01775	1.8
92.02560	1.7
93.03328	1.0
95.01256	14.0
95.02393	1.0
95.04922	0.4
96.95862	0.9
97.03960	0.7
101.02338	1.0
106.03997	1.2
107.01248	1.4
107.04898	2.8
108.02043	15.2
108.04417	0.7
109.03941	5.4
109.99063	3.5
110.02344	1.1
110.03500	1.5
110.04259	0.6
119.01286	0.6
121.02837	0.7
122.03616	2.5
123.00761	1.7
123.01898	0.5
123.04405	8.6
124.01463	0.5
124.04928	0.6
125.03490	1.3
134.03479	1.6
136.01553	85.7
137.01877	4.9
151.03908	100.0
152.00111	5.8
152.01102	0.6
152.04337	7.8
169.05469	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55397	0.4
59.01249	0.7
65.01317	1.5
65.99720	1.5
67.01739	0.5
67.02875	1.0
68.01277	0.6
69.60835	1.1
69.61251	1.9
71.01243	1.2
77.45494	0.4
81.57806	0.4
81.99207	0.5
82.02863	0.5
83.01274	0.5
86.64418	0.5
89.02319	0.9
93.03352	1.0
95.01247	0.8
95.04932	0.5
101.02288	0.8
107.04929	2.6
108.02013	1.6
108.05556	1.1
109.03953	1.4
112.35709	0.4
120.01886	0.6
121.02824	1.5
122.03649	5.4
123.00783	3.3
123.01889	1.8
123.03524	0.6
123.04404	5.0
124.01579	0.6
136.01553	11.3
137.02338	1.1
139.03896	2.0
149.02338	6.4
150.03120	100.0
151.00253	0.5
151.03606	8.0
151.06078	0.6
151.07507	0.7
154.02647	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	149.0598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40585	7.5
58.00469	60.8
60.55659	7.3
61.12718	7.3
65.01304	31.0
65.99712	17.1
66.03315	7.1
67.02880	17.1
71.01256	21.1
71.12006	12.6
71.12315	9.4
81.72231	8.4
89.02307	11.8
91.05408	35.5
92.02427	14.6
93.03339	30.1
95.04904	14.9
96.36034	7.4
106.04018	11.4
108.05518	8.7
118.50378	8.5
119.04878	10.6
121.02843	100.0
122.03444	16.9
131.04944	15.0
135.04469	12.8
136.04654	9.3
149.02368	74.3
149.03435	12.5
149.04517	20.0
149.05965	28.7
150.03021	25.3
158.84276	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47936	4.7
57.03329	5.3
59.01231	18.7
61.98692	6.5
64.01790	13.7
65.01318	65.6
65.99713	18.8
66.00835	4.4
67.02873	9.3
68.01266	5.6
69.23798	39.3
69.24205	11.5
70.02850	10.0
71.01240	20.7
72.99162	18.8
75.00754	22.6
79.02880	17.3
81.04441	9.6
82.03979	14.1
83.13491	4.2
85.02825	7.8
87.00770	9.5
89.01327	6.4
91.02910	4.5
93.03374	5.8
96.04464	4.7
99.00748	7.0
101.03847	16.0
105.04462	51.3
106.02850	5.5
106.04009	56.0
107.02396	4.6
108.03113	4.9
114.55566	4.7
117.03325	11.7
119.02367	8.4
119.03163	4.7
119.04916	56.3
120.01921	14.5
120.05544	10.6
121.02823	20.2
121.03912	23.6
132.01990	5.4
146.03539	4.8
147.01836	25.0
147.02884	17.8
147.04376	62.0
147.05525	17.8
147.06456	26.2
148.00359	6.2
148.03911	13.0
148.05040	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	149.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30196	1.4
57.03344	1.7
59.01239	13.5
69.03321	4.5
70.73931	4.5
71.01248	41.0
72.99187	8.8
73.02824	22.6
74.94697	1.5
75.00741	35.9
84.82081	1.5
85.02814	2.8
87.00738	13.3
89.02313	100.0
90.02648	4.9
93.03339	4.5
95.04871	2.1
103.03890	3.8
116.67921	1.5
121.02853	18.3
122.34779	1.5
131.03377	7.3
136.95508	1.6
149.02348	6.7
149.04448	38.6
150.00002	1.4
150.04810	2.2
152.89296	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90662	1.2
59.01240	3.5
60.66994	1.3
65.01315	5.7
65.99727	3.7
71.01266	3.0
71.57442	1.4
72.99171	1.3
75.00738	3.9
91.05430	2.5
93.03329	10.8
101.03843	45.8
102.04183	2.8
105.04473	1.9
106.03979	3.1
108.02016	1.7
114.56512	1.4
117.02554	2.2
117.03345	32.5
118.02869	1.7
118.03676	2.3
118.68686	1.5
119.04913	100.0
120.01928	2.8
120.04478	2.1
120.05212	8.8
121.02843	72.0
133.01532	2.4
147.01889	2.8
147.03059	7.5
147.04411	22.1
147.06621	2.8
147.07851	1.2
148.03905	10.0
148.05023	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	147.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02250	7.8
65.01307	30.3
65.99715	14.2
71.09612	22.6
81.86111	10.2
105.03220	8.8
105.04439	19.5
106.03977	20.4
119.04911	30.4
120.01868	13.5
136.53708	7.6
147.03192	16.6
147.04399	100.0
147.05507	9.7
147.06622	9.8
148.05045	48.7
149.22774	8.0
149.62120	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	146.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01364	0.6
57.03313	1.1
59.01244	6.7
68.73872	0.6
68.99686	0.6
70.64974	0.6
71.01254	4.3
71.22639	1.1
72.99179	1.6
74.02343	2.2
75.00738	2.8
76.01789	0.7
82.02862	0.6
83.01250	0.8
85.02818	4.3
87.00732	2.3
93.50671	0.7
99.00747	1.1
101.02325	1.1
102.05481	100.0
103.00228	1.2
103.05813	4.5
118.02873	2.3
119.04884	0.6
128.03418	36.7
129.01825	1.1
129.03748	1.8
136.05452	0.6
146.02373	2.5
146.04489	12.8
147.02864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06293	6.7
55.13790	6.7
56.21463	7.4
56.22144	6.4
57.03312	24.5
59.01248	100.0
68.71745	7.5
71.01252	58.1
71.18674	15.2
72.99174	45.2
74.50430	6.8
75.00745	54.7
85.02838	37.5
86.02358	16.5
87.00741	32.7
89.02316	8.8
99.00756	12.2
99.90604	7.0
101.02286	9.3
102.05473	16.4
103.00249	32.4
103.05801	46.1
104.67564	6.6
121.02794	7.5
121.49272	6.8
127.95646	10.0
129.01808	15.3
129.03754	17.9
129.83952	8.7
146.99254	13.1
147.01877	18.9
147.02876	18.9
148.00417	7.2
165.34108	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	145.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	1.0
63.78577	0.6
64.01781	2.5
65.01321	5.0
65.06495	0.8
65.91092	0.7
65.99708	2.2
66.00847	1.2
69.66821	4.7
77.01318	3.5
79.61018	0.7
81.03318	0.7
81.04440	0.8
83.04897	1.4
89.01315	0.7
90.00842	1.4
91.02892	1.9
92.02396	0.7
97.06464	6.1
98.06847	0.7
99.08031	100.0
100.08366	6.1
101.05991	0.8
102.05457	1.8
103.01611	0.9
105.03185	1.1
105.04457	1.1
116.02409	1.0
117.02029	0.8
117.03365	5.3
118.02906	4.6
118.03996	13.4
119.02402	4.7
127.07543	2.4
130.02748	1.0
143.03635	0.7
144.01953	1.1
145.01468	0.9
145.02789	2.2
145.03966	4.7
145.05089	7.2
145.07454	1.6
145.08601	32.0
146.02362	7.8
146.03487	4.3
146.07120	2.2
146.08949	2.7
159.53992	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00227	0.9
65.01302	2.1
65.99718	1.0
67.16214	0.6
69.51950	4.9
77.01312	1.2
78.15359	0.6
83.04890	1.4
91.02907	0.6
97.06470	2.8
99.08028	100.0
100.08365	6.0
102.05508	0.6
103.01604	0.7
116.30874	0.6
118.02853	3.1
118.04002	4.8
119.02405	1.6
127.07540	1.3
135.92807	0.5
145.02876	0.8
145.03961	1.5
145.05064	3.2
145.08595	35.9
146.02368	3.6
146.03484	1.8
146.08928	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	145.0283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00207	0.4
52.37647	0.4
56.01011	0.4
64.01769	1.6
65.01304	1.8
65.99701	1.0
71.58633	0.7
75.36378	0.5
77.01304	1.1
81.04442	0.7
89.03832	1.5
90.03388	0.8
91.02900	0.9
101.05947	0.8
103.01640	0.6
105.00877	0.6
105.03198	0.8
105.04435	0.9
110.40433	0.5
110.41174	0.5
117.03346	100.0
118.02853	3.4
118.03838	8.6
119.02396	2.3
119.03409	0.4
119.04301	0.5
126.26938	0.4
130.02704	0.9
145.02861	37.9
145.03914	2.7
145.05078	4.1
145.08627	0.6
146.02277	4.3
146.03323	3.2
146.07143	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	0.9
52.45486	0.9
65.01307	4.3
65.99716	2.4
66.00837	1.9
71.01244	1.0
76.31214	0.8
77.01315	2.2
83.04896	1.0
84.87766	0.7
89.03857	1.0
90.00868	2.5
90.03384	1.5
90.10943	0.8
91.02908	2.2
92.77507	0.9
99.08015	1.1
101.05979	1.2
105.03236	1.6
115.61052	0.8
116.02419	2.3
117.03343	100.0
118.02865	11.9
118.03803	6.8
119.02388	3.5
130.02754	1.6
144.01912	2.1
144.03004	1.1
145.01503	3.0
145.02834	42.7
145.03958	6.0
145.05052	6.5
146.02356	15.0
146.03383	4.8
146.04469	1.3
146.07153	1.4
157.27505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01323	1.3
65.46088	0.6
65.99737	0.7
69.52746	1.4
69.53152	3.6
71.01241	0.8
77.01316	0.9
81.04474	0.7
82.13341	0.6
89.03835	2.0
99.08041	3.5
101.02178	0.7
103.98071	0.6
117.03345	100.0
118.02856	2.1
118.03741	7.1
119.02376	0.9
124.46959	0.6
130.02754	0.7
144.54626	0.7
145.02852	37.5
145.03870	1.8
145.05136	2.2
145.08615	0.9
146.02292	1.5
146.03285	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	145.0279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	0.5
59.01198	0.4
60.15166	0.3
63.35867	0.3
64.01771	1.4
65.01329	2.0
65.99694	0.6
70.01490	1.4
71.01260	0.4
77.01322	2.1
81.04430	0.8
81.71502	0.3
83.04857	0.6
87.00734	0.4
89.03821	1.2
90.00842	0.6
90.03348	0.3
91.02874	1.1
92.02369	0.5
98.19881	0.6
99.04410	0.5
99.08022	0.5
101.05956	0.7
102.05475	1.0
105.03183	0.5
105.04424	1.1
111.44643	0.3
116.02444	1.1
117.03345	100.0
118.02856	3.4
118.03877	10.4
119.02405	2.6
119.04328	0.5
122.63577	0.3
128.03372	0.4
130.02722	0.5
131.01143	0.3
144.01955	0.4
145.02863	35.3
145.03926	2.9
145.04921	4.8
145.08603	0.4
146.02367	5.1
146.03362	4.4
146.07146	1.3
161.34479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0281
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01323	1.3
65.46088	0.6
65.99737	0.7
69.52746	1.4
69.53152	3.6
71.01241	0.8
77.01316	0.9
81.04474	0.7
82.13341	0.6
89.03835	2.0
99.08041	3.5
101.02178	0.7
103.98071	0.6
117.03345	100.0
118.02856	2.1
118.03741	7.1
119.02376	0.9
124.46959	0.6
130.02754	0.7
144.54626	0.7
145.02852	37.5
145.03870	1.8
145.05136	2.2
145.08615	0.9
146.02292	1.5
146.03285	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	145.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	3.8
55.25972	2.4
57.03321	10.9
58.00476	2.6
59.01246	19.1
63.12790	2.4
70.61893	2.3
71.01249	61.3
71.13734	4.8
72.99171	13.8
73.02818	10.0
74.02335	4.0
76.91667	2.2
79.19488	2.3
83.01261	18.3
83.04890	4.4
84.04433	2.5
85.43739	2.0
87.00742	40.8
99.00768	6.9
99.04368	3.0
99.08061	3.6
101.02308	30.9
101.05971	2.7
102.05486	100.0
104.80302	2.4
110.08360	2.3
115.00254	33.6
118.02893	4.6
123.29192	2.2
127.00268	16.5
128.03423	45.2
129.01828	2.9
145.01372	14.4
145.03970	8.9
145.04987	3.3
146.02400	22.4
146.04472	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	142.9976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59573	2.7
53.00195	20.5
59.01254	10.9
63.21739	3.2
67.00243	3.9
68.99684	8.7
70.90229	10.1
71.01250	63.8
80.99700	7.4
85.02829	3.5
87.00758	14.5
96.99195	36.8
97.06473	4.7
112.98685	40.6
115.00256	11.6
124.98698	90.9
125.99065	4.1
140.98215	9.8
141.93330	2.9
142.99765	100.0
143.03426	8.5
143.07042	4.8
144.00122	5.8
144.04474	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	145.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10363	2.2
52.07037	2.5
55.01764	13.1
56.88031	2.2
57.03323	4.0
57.51616	2.2
59.01253	33.2
59.47807	2.3
67.23231	2.2
70.21866	11.0
71.01251	100.0
72.01572	3.6
72.99174	23.5
73.02821	8.5
74.70068	2.3
83.01247	33.9
83.04913	3.3
87.00747	83.3
93.59146	2.3
99.00766	11.4
101.02328	30.1
102.05479	77.5
112.98660	4.8
115.00256	70.8
117.03352	2.9
118.02846	17.3
124.98651	2.5
126.99336	3.1
127.00251	36.1
128.03435	29.4
145.00194	3.9
145.01321	34.9
145.02524	4.4
145.02904	4.8
145.03883	4.3
145.04898	7.7
146.02391	51.1
146.04314	12.4
161.09526	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	138.0187
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
59.01228	0.3
62.37293	0.3
66.49082	0.3
67.01749	0.8
68.01313	0.3
69.72301	2.2
72.24531	0.3
72.24942	0.3
83.01188	0.5
94.03683	1.2
95.01273	0.7
96.05536	0.5
96.95871	0.3
97.03967	0.7
108.02050	74.0
109.02386	4.3
110.00039	0.3
111.00755	2.5
112.78374	0.4
120.01910	0.4
123.01969	0.3
138.01865	100.0
139.00299	0.9
139.02228	5.9
139.03949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00189	24.9
59.01249	10.2
65.16310	1.4
68.99673	8.5
70.31100	5.4
70.31458	2.0
71.01247	48.2
72.01575	1.6
72.99168	4.8
80.99683	5.5
83.01231	1.8
87.00739	14.4
90.14779	1.5
96.99184	36.1
97.67345	1.7
98.20482	1.9
101.87155	1.5
112.98685	37.0
113.99096	2.1
115.00249	10.6
124.98692	81.4
125.99047	1.9
140.98193	10.7
142.99757	100.0
144.00108	5.2
144.04443	12.5
158.99306	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	135.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71161	0.6
52.40947	0.8
59.01246	8.4
65.99701	0.7
71.01243	5.3
72.99178	15.5
73.02811	1.3
75.00743	100.0
76.01090	2.0
80.40779	0.7
85.02823	2.8
85.40984	0.7
87.00751	1.2
89.02317	8.1
92.04932	0.8
93.03336	1.3
98.20544	1.6
103.09017	0.6
108.02051	1.7
110.74692	0.6
117.01852	1.3
134.03549	1.1
135.01936	0.7
135.02878	21.3
135.04395	8.7
136.03180	1.2
138.00638	0.7
139.64806	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0234
Annotation	p-Salicylic acid
Peak:m/z	Relative Intensity
65.01302	0.2
65.03826	1.4
65.57018	0.1
65.99689	0.2
66.00835	0.3
67.02876	0.7
68.01279	0.7
69.77693	0.7
69.78112	0.3
81.04452	0.2
82.02831	0.4
83.01258	0.5
93.03329	100.0
94.03662	6.8
95.02389	0.3
96.00767	0.3
96.05552	0.2
108.02019	0.7
109.02823	0.9
109.03999	0.2
110.02335	0.2
113.73957	0.2
119.19176	0.1
120.01933	0.3
131.42500	0.1
136.01549	0.4
137.02342	15.6
137.03342	0.6
137.99557	0.2
138.01817	0.6
138.02768	1.0
141.52530	0.2
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
57.03311	0.7
59.01247	2.1
69.73302	0.1
71.01248	87.7
72.01185	0.3
72.01578	3.0
72.99174	23.2
73.99503	0.5
75.00738	0.7
87.00740	1.8
87.04382	0.6
89.02312	9.0
90.02626	0.3
107.03491	0.3
115.00249	100.0
116.00585	4.3
116.01372	0.3
121.64400	0.2
132.02081	0.3
133.01314	19.9
133.04959	1.9
134.01627	0.6
134.02496	0.2
134.03595	0.2
134.04599	0.5
144.15231	0.2
147.13058	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71161	0.6
52.40947	0.8
59.01246	8.4
65.99701	0.7
71.01243	5.3
72.99178	15.5
73.02811	1.3
75.00743	100.0
76.01090	2.0
80.40779	0.7
85.02823	2.8
85.40984	0.7
87.00751	1.2
89.02317	8.1
92.04932	0.8
93.03336	1.3
98.20544	1.6
103.09017	0.6
108.02051	1.7
110.74692	0.6
117.01852	1.3
134.03549	1.1
135.01936	0.7
135.02878	21.3
135.04395	8.7
136.03180	1.2
138.00638	0.7
139.64806	0.8
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
50.74947	0.1
54.46838	0.1
57.03308	0.1
59.01247	2.3
65.01318	0.1
69.93095	0.2
69.93515	0.1
71.01249	92.2
72.01580	2.7
72.99175	24.2
73.99522	0.5
75.00755	0.2
87.00748	1.6
87.04406	0.2
89.02312	9.1
90.02663	0.3
115.00250	100.0
116.00587	4.5
125.53111	0.1
133.01314	19.8
133.04958	0.2
134.01634	0.9
134.03510	0.2
151.72136	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	133.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01245	1.7
61.58941	0.4
68.89888	0.4
69.46357	3.5
71.01250	74.8
72.01587	1.8
72.99180	18.7
83.51125	0.5
86.87476	0.5
87.00742	1.6
89.02320	7.5
110.31491	0.4
115.00250	100.0
116.00592	4.3
133.01321	22.6
133.04916	0.5
134.01633	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0863
Annotation	L-Norleucine
Peak:m/z	Relative Intensity
57.03308	4.8
60.81292	1.5
65.01299	3.1
65.35254	1.3
69.89682	1.3
71.01272	3.8
71.46016	3.1
73.02827	4.9
85.02824	17.8
85.06437	3.9
86.05922	1.4
87.04395	8.5
88.03895	3.0
115.42724	1.7
121.24754	2.0
130.04028	10.9
130.08630	100.0
131.03424	14.3
131.08954	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	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00227	0.5
57.03325	1.3
59.01237	0.6
60.29459	0.5
64.00539	0.8
64.01789	0.7
65.01311	8.5
67.02885	3.7
69.03316	1.9
69.71276	3.1
71.01223	0.9
72.99161	0.7
73.02808	1.2
77.01315	1.7
81.04449	1.5
82.35924	0.5
83.04888	1.7
85.02827	5.2
85.06460	100.0
86.02342	0.7
86.06788	4.9
86.24751	0.5
87.04408	1.2
88.03914	0.7
89.01324	8.1
90.00847	1.7
90.01645	0.8
91.02892	5.4
97.34819	0.5
104.02403	1.6
105.04475	1.8
113.05963	1.3
129.05470	1.7
130.02736	2.1
131.01277	0.4
131.03520	21.8
131.04372	2.3
131.07028	36.8
132.01929	1.0
132.02908	0.7
132.03876	0.7
132.05563	5.5
132.07338	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	131.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19268	1.1
57.03310	1.1
59.99773	1.1
63.88335	0.9
65.01311	6.5
66.01649	1.2
67.02878	4.2
69.03319	2.3
73.02837	1.1
77.01297	1.9
81.04467	1.7
85.02827	4.6
85.06456	100.0
86.06773	4.7
87.04388	2.0
89.01320	8.7
89.26720	1.2
90.00860	1.8
91.02884	5.0
104.02452	1.8
105.04453	1.4
130.02728	2.6
131.03520	29.8
131.04385	2.5
131.07027	35.2
132.03940	1.6
132.05547	4.9
132.07428	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	119.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00216	4.1
58.25457	0.8
64.01791	1.1
65.01317	7.8
65.99718	8.5
68.01286	3.5
77.01342	2.2
79.02895	2.6
91.02876	5.8
91.05409	1.3
92.01286	5.1
92.02423	1.4
93.00819	3.5
93.03335	4.5
98.20560	3.6
118.03986	1.7
118.92592	3.1
119.02402	14.5
119.04907	100.0
120.01944	6.2
120.04277	2.2
120.05569	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	13.4
57.03318	47.3
58.29372	3.9
59.01245	4.0
67.01757	90.0
68.99686	42.0
71.01244	15.1
71.35554	6.9
72.99199	20.1
73.02831	9.7
75.20212	4.3
83.01218	5.6
85.02816	100.0
86.03158	6.4
87.00755	9.6
88.03912	40.4
96.99189	11.7
98.72273	4.6
99.00746	11.7
100.98676	4.3
101.02297	5.2
128.99181	5.4
129.01817	38.5
129.05402	22.1
129.07463	6.6
130.04066	20.8
130.08659	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	129.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	20.5
56.37167	18.4
56.77029	17.5
57.03312	54.8
67.01762	100.0
67.67308	19.4
68.99677	83.7
71.01249	56.1
71.13502	32.6
71.13822	21.0
71.90162	20.1
72.99194	28.8
89.25179	17.7
99.00744	21.5
129.01811	80.3
129.05432	40.1
130.03996	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00222	2.4
62.80198	0.6
64.01797	1.7
65.01319	10.5
65.99722	6.0
66.00819	0.6
68.01288	3.2
69.25841	7.6
70.02859	0.7
77.01319	3.2
79.02908	1.5
79.53947	0.6
84.24088	0.6
90.30060	0.5
91.02889	5.5
91.05404	1.1
92.01286	4.6
92.02431	3.5
92.03266	0.9
93.00821	4.1
93.03330	5.2
104.02550	0.8
111.97909	0.7
117.65470	0.6
117.80349	0.6
118.03965	3.2
118.92554	0.6
119.02419	14.8
119.03493	2.7
119.04901	100.0
120.01923	10.6
120.03232	1.5
120.05572	42.0
120.23698	0.6
124.75588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00223	0.2
59.01245	0.4
59.04200	0.1
61.98682	0.5
63.15841	0.2
65.01325	0.4
65.99715	0.2
66.10999	0.2
70.02854	0.3
71.01235	0.3
72.99169	0.3
75.00742	0.2
79.02900	0.3
91.02901	0.3
91.05408	1.3
92.01286	0.3
92.02433	0.2
93.03333	4.9
94.03725	0.2
96.22001	0.2
98.20531	0.4
101.02280	0.2
101.92297	1.1
101.92902	0.2
104.02551	0.4
112.58218	0.2
117.03338	0.7
118.92510	2.3
118.93182	0.4
118.93988	0.3
119.04913	100.0
120.01936	0.2
120.05283	7.9
121.61604	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	119.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00232	3.5
53.32227	0.6
55.30164	0.6
59.01245	1.1
64.01781	1.6
65.01316	15.4
65.99718	7.8
67.02880	0.8
68.01277	3.2
70.02866	0.9
71.01247	0.9
77.01325	3.8
79.02895	1.0
91.02901	4.8
91.05426	1.4
92.01298	4.3
92.02432	4.9
93.00803	4.2
93.03327	4.9
93.04473	0.7
101.03877	1.6
117.03368	1.2
118.03996	2.7
119.02425	17.2
119.03490	4.2
119.04904	100.0
120.01937	14.8
120.04368	1.8
120.05569	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1189.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01246	0.6
93.03321	0.3
98.19814	0.4
99.15620	0.2
107.01275	2.1
107.96552	0.2
108.02036	0.3
109.02793	1.1
111.00801	0.2
121.02838	2.2
123.00760	0.3
125.02284	0.4
135.00729	0.2
137.02176	0.2
137.46466	0.2
139.00232	0.5
148.01588	0.4
149.02345	0.4
151.00270	9.4
152.00665	0.3
159.04462	0.2
161.02408	0.2
163.00279	1.7
163.37648	0.2
164.01053	0.4
165.98988	0.3
166.99725	0.2
169.01303	1.3
178.99765	6.6
180.00131	0.2
187.03941	0.4
192.00336	0.2
199.03806	0.4
201.05524	0.3
211.03931	0.9
215.03386	0.3
226.02687	0.3
227.03351	1.1
228.04202	0.2
229.04886	0.9
230.02095	0.2
243.02957	3.3
244.03418	0.4
245.04471	1.3
254.02176	0.7
255.02950	11.9
256.03403	0.6
257.04556	0.2
259.02393	0.2
266.02225	0.2
271.02444	21.5
272.02914	2.2
273.04089	1.0
283.02493	1.1
287.01962	0.5
299.02002	2.0
300.02722	52.0
301.03482	50.4
302.00568	0.4
302.03772	2.8
303.04202	0.2
310.44397	0.2
316.02231	1.4
317.02795	2.3
318.03287	0.9
319.03491	0.2
343.04547	0.2
421.96545	0.2
433.07730	0.3
445.07861	0.8
447.09277	100.0
448.09601	7.7
448.15933	0.4
449.09692	0.7
463.08945	2.4
464.09039	1.9
465.09302	1.1
473.10925	0.3
473.67828	0.2
477.06628	0.3
579.13562	1.3
591.13519	11.4
592.13745	1.0
607.12787	0.2
608.13434	0.3
609.12720	0.6
650.36255	0.2
709.87988	0.2
825.82269	0.2
885.33344	0.2
971.12335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1175.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01229	0.4
93.03329	0.5
98.19772	1.1
107.01260	2.3
109.02815	1.0
109.99974	3.4
111.00784	2.1
121.02859	1.7
123.00780	0.9
125.02332	1.1
136.98683	1.2
137.02339	0.8
137.99519	1.7
139.00259	6.6
139.03827	0.4
149.02348	1.2
151.00264	10.5
151.03882	0.5
152.01053	0.5
163.00266	2.7
164.01048	1.3
164.98189	0.4
165.98984	8.2
166.99742	3.7
169.01363	1.1
173.02396	0.4
173.06032	0.3
175.00252	1.1
175.03877	0.7
177.98940	0.4
178.99777	8.2
187.03841	0.9
189.01866	0.8
189.05460	0.4
190.99803	0.5
193.98546	0.7
194.99289	1.5
198.03055	0.4
199.03911	1.3
201.01997	0.4
202.02522	0.4
203.03378	0.7
206.99382	0.7
211.03931	0.4
215.03421	1.4
216.04031	0.4
217.01291	0.5
217.04782	0.4
219.02998	0.3
226.02553	0.7
227.03433	2.6
229.01357	0.5
229.90059	0.4
231.02925	1.4
241.01357	0.5
242.02084	1.0
243.02991	5.2
244.03783	0.9
245.04439	1.5
255.02946	8.6
256.03363	0.5
258.01685	0.5
259.02512	1.8
270.01620	1.8
271.02457	22.2
272.02994	2.3
273.03961	1.0
283.02554	0.8
287.01990	11.3
288.02481	1.6
297.00439	0.4
298.01031	0.7
299.01953	5.6
300.02728	32.4
301.03482	30.1
302.03699	3.1
303.03760	0.6
314.00647	0.9
315.01471	7.5
316.02197	41.4
317.02969	45.8
318.03149	1.7
357.83994	0.5
410.61118	0.4
433.07834	0.8
447.09296	67.6
448.10321	3.9
449.06876	6.0
450.09970	0.5
462.07791	1.8
463.08786	100.0
464.09143	4.8
522.02875	0.4
529.86218	0.4
562.20093	0.4
579.13440	1.5
594.12152	1.3
595.12927	16.3
596.13220	1.1
611.28882	0.4
813.43567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.277
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01250	0.5
87.02078	0.1
91.01720	0.1
93.03300	0.2
107.00531	0.1
107.01262	2.4
108.02065	0.4
109.02824	1.0
112.90521	0.1
119.01249	0.2
121.02825	2.0
123.00838	0.2
124.01582	0.1
125.02300	0.4
135.00783	0.4
139.03896	0.2
141.27765	0.1
142.72984	0.1
147.00861	0.1
148.01575	0.4
149.02315	0.3
151.00264	10.8
152.00716	0.2
153.01842	0.2
159.04410	0.2
161.02351	0.2
163.00269	2.2
163.03941	0.2
164.01018	0.3
165.01822	0.2
167.04872	0.1
169.01353	1.2
175.03897	0.3
178.99767	5.6
183.04424	0.3
187.03909	0.3
189.05394	0.1
190.99820	0.2
192.00565	0.2
193.01350	0.2
197.22696	0.1
199.03922	0.4
201.01920	0.1
201.05518	0.5
203.03391	0.2
205.04945	0.2
211.03886	0.8
212.04681	0.1
214.02690	0.2
215.03438	0.2
216.04248	0.2
219.82742	0.1
226.02751	0.6
227.03438	1.7
228.04146	0.2
229.04984	0.8
230.01520	0.1
239.03342	0.6
243.02936	3.8
244.03506	0.2
245.04518	1.4
246.04884	0.1
254.02176	0.9
255.02957	12.7
256.03537	0.6
257.04568	0.3
266.02048	0.2
271.02457	24.1
271.52145	0.1
272.02963	1.7
273.03943	1.1
283.02444	1.4
284.02698	0.1
297.03714	0.1
299.01984	2.7
300.02722	58.3
301.03482	53.7
302.03857	2.1
313.03497	0.2
316.01981	0.2
327.05130	0.5
343.04352	0.2
373.67731	0.1
444.07837	0.1
445.07776	1.6
447.09271	100.0
448.09589	4.3
473.10843	0.7
591.13538	9.1
592.14056	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	6.4
64.01771	7.5
65.01318	22.3
66.00822	6.4
66.19375	3.4
71.01270	9.4
71.04892	11.6
71.57401	5.1
73.02818	100.0
90.00847	60.0
90.01650	8.6
91.02885	23.7
94.03268	3.8
99.00760	7.8
99.92459	33.9
107.02924	3.8
116.92738	89.9
117.01988	47.7
117.03350	75.1
117.05409	9.5
117.92747	6.2
118.00384	4.1
118.02953	19.8
118.03994	36.5
127.38825	3.7
127.45509	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	1171.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01250	0.8
87.89535	0.1
91.01770	0.2
93.03342	0.4
98.19933	0.1
107.01266	2.9
108.02042	0.5
109.02834	1.2
119.01277	0.2
121.02837	2.2
123.00795	0.1
123.04422	0.1
124.01540	0.1
125.02345	0.3
135.00764	0.4
139.03923	0.2
145.02966	0.1
146.03606	0.1
146.38847	0.1
147.00763	0.1
148.01506	0.5
149.02290	0.4
151.00266	13.0
152.00641	0.2
153.01852	0.2
159.04390	0.3
161.02397	0.2
161.06058	0.1
163.00270	2.3
163.03920	0.2
164.01111	0.3
165.01790	0.1
165.85001	0.1
169.01318	1.0
171.04387	0.1
173.05986	0.1
175.03949	0.2
177.01807	0.1
178.99773	6.4
180.00154	0.1
183.04396	0.4
185.06010	0.2
187.03854	0.5
189.01791	0.1
189.05414	0.1
190.99832	0.4
192.00557	0.4
193.01292	0.3
195.04573	0.2
199.03925	0.5
201.01935	0.1
201.05470	0.4
202.02585	0.1
203.03452	0.2
205.05009	0.1
211.03926	1.0
212.04639	0.2
213.01860	0.2
213.05452	0.1
214.02556	0.2
215.03473	0.5
216.04210	0.3
217.04845	0.1
226.02657	0.7
227.03450	1.7
227.05687	0.1
228.04063	0.2
229.04974	1.1
231.03055	0.1
239.03394	0.4
240.04271	0.2
243.02946	4.5
244.03532	0.4
245.04474	1.6
254.02173	1.2
255.02956	15.4
256.03439	0.9
257.04544	0.3
265.01340	0.1
266.02197	0.3
271.02457	30.1
272.02921	2.0
273.03964	1.2
282.01764	0.1
283.02460	1.8
284.03165	0.1
297.03915	0.1
299.01968	3.2
300.02725	66.1
301.03476	61.5
302.03833	2.9
303.04593	0.1
313.03485	0.2
327.05072	0.2
343.04514	0.3
429.07419	0.1
433.07806	0.4
445.07855	0.8
446.08340	0.1
447.09274	100.0
448.09607	6.3
473.10907	0.2
579.13586	0.9
591.13531	5.4
592.13879	0.5
816.69763	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	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44738	3.0
58.63709	3.3
59.01257	25.4
60.99169	3.1
61.20782	4.1
71.01247	53.1
71.04897	5.5
71.15067	8.4
72.00768	8.7
72.01601	3.3
72.99172	6.1
73.02814	100.0
74.02345	11.4
75.00713	3.5
87.00761	18.3
89.02293	3.8
90.00859	8.0
99.00762	11.5
99.92431	8.1
101.99453	4.9
116.92729	17.7
116.98102	3.0
117.01855	23.0
118.02866	11.0
118.04002	7.9
118.71812	2.9
135.32420	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	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
57.99780	0.3
59.01244	1.8
62.07301	0.4
63.83197	0.4
67.65727	0.4
71.01246	1.4
71.04900	1.3
71.12183	0.5
71.12527	0.9
73.02814	100.0
74.03149	2.8
87.00772	0.7
90.00853	1.1
90.03342	0.9
91.02869	0.9
99.00757	8.9
99.92473	2.1
100.01092	0.6
116.08775	0.5
116.92752	5.6
117.01828	13.0
117.05444	0.5
117.92758	0.6
118.02159	0.6
118.02895	2.3
118.03963	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01250	0.8
62.12268	0.7
65.95053	0.8
67.97147	0.7
70.94796	1.9
71.01258	0.8
73.02815	100.0
74.03149	4.0
89.82708	0.7
99.00758	8.8
99.92465	3.0
106.65175	0.7
116.92733	8.5
117.01817	11.2
117.92730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1157.298
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01224	0.6
84.50014	0.2
93.03323	0.4
98.20520	0.7
107.01270	1.8
108.02068	0.3
109.02825	0.8
112.23723	0.2
121.02826	1.7
124.51591	0.2
125.02322	0.5
135.00793	0.3
139.03993	0.3
148.01523	0.6
149.02333	0.4
151.00266	9.7
152.00652	0.2
159.75043	0.2
161.02322	0.3
163.00250	1.8
164.01060	0.4
169.01389	1.0
171.04395	0.3
178.99767	5.0
183.04402	0.7
187.03990	0.4
199.03923	0.8
201.05478	0.4
203.03331	0.2
205.46545	0.2
211.03906	1.1
215.03387	0.4
226.02679	0.7
227.03418	2.3
229.04968	0.8
239.03477	0.3
243.02962	3.1
245.04486	0.9
254.02220	0.5
255.02953	19.0
256.03375	1.2
257.04373	0.3
271.02451	26.5
272.02945	1.9
273.03781	1.0
283.02451	16.3
284.03137	2.1
285.03885	0.4
288.53705	0.2
299.01956	10.4
300.02719	48.3
301.03476	46.0
302.03836	2.9
416.07428	3.2
417.08231	1.2
446.08319	0.5
447.09274	100.0
448.09637	7.9
448.16013	0.3
449.09793	1.0
461.22531	0.2
563.14038	11.4
564.14130	0.8
592.13751	0.3
593.15051	9.2
594.15393	0.4
697.77509	0.3
755.16058	0.3
954.45337	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01246	13.3
69.75227	17.0
71.01254	100.0
72.01590	4.7
87.00761	11.0
97.95038	2.6
98.19733	2.8
115.00265	12.0
116.07053	7.2
125.81995	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	1153.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03335	1.0
83.01255	3.2
83.04866	0.5
89.03838	1.1
93.03328	1.2
95.01284	0.7
95.04921	0.8
97.02821	1.3
103.65499	0.4
105.03333	1.0
107.04907	2.0
108.02024	1.1
109.02840	8.5
112.14267	0.4
115.05432	0.4
117.03342	0.9
119.04932	0.5
120.02080	0.5
121.02827	2.3
123.04408	5.3
124.01500	0.4
125.02333	100.0
126.02693	1.5
130.04161	0.6
131.04906	1.4
132.02077	1.0
133.02855	8.1
135.04408	2.2
137.02341	11.0
139.03899	1.4
143.04875	0.6
145.02870	0.9
146.03636	0.5
147.04433	1.4
149.02345	3.6
149.05946	0.9
150.03136	0.7
151.02805	0.7
151.03918	10.0
158.03601	0.8
159.04456	2.1
160.01563	0.5
161.02347	34.4
161.05975	1.7
162.03117	2.6
163.00291	3.4
163.03912	4.1
164.01047	6.5
165.01830	5.8
167.03421	1.7
169.01331	0.8
171.04442	0.7
172.05273	0.4
173.05995	1.4
174.03130	1.1
175.03920	17.2
176.01089	0.8
176.04300	0.6
177.01851	13.1
177.05467	1.7
179.03419	1.0
183.04562	0.9
185.02371	0.5
185.05888	0.4
187.03914	4.1
188.04727	1.0
189.01874	1.9
189.05455	1.1
190.02608	0.8
191.03365	1.1
193.05011	1.4
198.03050	0.6
199.03949	4.8
201.01855	1.6
201.05519	1.9
202.99893	0.4
203.03424	2.6
203.05487	0.4
203.07019	2.7
205.01315	1.2
205.05028	2.4
211.03944	1.2
213.05511	1.1
214.02689	0.8
215.03436	1.2
215.07040	0.6
217.01434	1.0
217.04988	8.6
219.02975	4.1
219.06470	0.7
221.04488	0.4
225.05505	1.7
227.03470	2.8
227.07045	0.9
228.04083	0.6
229.05029	2.0
231.02948	1.5
239.03450	1.0
241.05025	1.1
242.02184	0.5
243.02948	21.7
243.06563	2.0
244.03378	1.6
245.04504	11.6
245.08153	3.8
246.05022	0.9
253.05095	1.2
255.02957	7.4
256.03720	2.1
257.04449	2.1
259.06125	0.7
261.04010	6.3
267.03098	0.8
269.04489	4.2
270.05127	0.6
271.02423	0.8
273.04001	1.9
279.03036	0.6
280.03662	0.4
281.04575	2.6
282.01694	1.2
282.04660	0.5
283.02457	1.7
283.06094	0.4
285.04108	3.3
285.07285	0.6
286.04550	0.8
287.05600	38.2
288.05911	1.6
289.07181	12.7
290.07596	0.7
293.04541	0.9
295.02573	0.9
295.06027	0.9
297.04013	0.8
299.05655	2.5
311.05685	0.5
319.06110	0.6
327.05136	0.9
329.06741	1.5
337.07147	0.7
339.08734	1.2
341.06717	1.0
349.03534	0.4
359.05817	0.4
361.03336	0.6
363.05392	1.0
379.08423	1.1
381.10031	0.9
387.05185	1.0
389.06866	0.5
391.04346	0.5
395.07742	1.3
405.06177	5.8
407.07678	15.8
408.07959	0.8
413.08722	12.1
423.07196	7.6
425.08780	9.6
426.09253	0.7
435.07169	0.7
447.07169	0.6
449.08682	9.2
450.08957	0.7
451.10391	6.2
452.07617	0.8
467.09830	0.6
525.07916	0.8
531.09668	1.5
533.10931	1.3
543.09338	0.7
549.10498	1.7
557.11029	1.4
559.12787	0.9
569.10846	1.0
575.11902	14.5
576.12701	1.3
577.13495	13.3
578.13751	1.1
587.11804	2.4
617.12762	0.5
619.14532	0.6
629.13177	0.7
677.13055	0.5
693.12659	2.1
695.14075	5.5
701.15009	2.6
711.14008	1.2
713.15399	1.2
737.16199	0.9
739.16522	4.7
740.15271	1.2
813.14789	1.6
814.14960	0.6
831.16193	1.6
849.16693	0.6
857.17780	1.1
863.18512	2.6
864.19513	0.5
865.19800	6.3
866.20233	0.7
875.18158	0.6
983.19989	4.3
984.21356	0.6
1001.21484	1.5
1010.01715	0.5
1153.26514	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	1149.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03345	0.3
83.01259	0.5
85.02816	0.5
95.01268	1.0
97.02917	0.3
101.02310	0.5
107.01267	4.2
108.02040	0.6
109.02841	0.3
111.00743	1.5
119.28048	0.3
121.02828	0.8
121.06506	0.7
123.00755	6.5
124.01569	0.4
125.02332	16.3
127.00283	0.3
135.00739	0.5
135.04356	0.4
136.98637	0.6
137.02365	0.4
139.00276	1.6
140.01033	1.4
141.01849	0.9
144.05693	0.9
148.01521	0.5
149.02370	0.3
149.09602	0.6
151.00270	6.0
151.07556	0.4
153.01810	0.6
159.08009	0.4
161.05956	0.5
163.00253	0.7
163.03871	0.6
165.01872	0.4
168.00520	3.3
169.01331	24.2
170.01645	0.6
177.09090	2.4
178.99768	1.4
179.03479	0.4
181.05005	0.3
188.08353	0.4
192.00648	0.3
199.03915	0.6
203.10704	0.7
211.02386	4.6
221.11729	1.2
226.02629	0.9
227.03401	0.8
238.12047	0.6
241.03539	0.6
243.02974	6.2
253.03531	0.6
254.02171	1.0
255.02954	14.9
256.03293	0.8
271.02344	31.9
271.04614	3.9
272.02893	2.5
299.02039	1.2
300.02725	55.9
301.03226	5.4
313.05627	10.4
313.09341	0.4
314.05869	0.4
552.18152	0.7
553.19232	100.0
554.19507	7.7
595.12994	60.7
596.13458	3.9
906.90808	0.3
908.42139	0.4
1172.92578	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1149.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03341	0.2
81.15829	0.2
83.01284	0.6
85.02832	1.0
87.00800	0.4
87.71518	0.2
89.02316	3.1
95.01274	1.0
95.15614	0.2
97.02861	0.3
99.00816	0.2
101.02319	4.0
107.00608	0.2
107.01276	1.4
111.00779	0.4
113.02332	2.3
113.02933	0.2
119.03387	2.2
123.00785	3.0
125.02343	5.6
128.45888	0.2
136.98672	0.3
139.00305	1.0
140.01088	0.8
141.01857	0.5
149.04604	0.2
151.00247	2.0
153.01828	0.2
157.44678	0.3
161.04483	0.3
163.11205	2.9
168.00525	1.3
169.01337	5.8
170.97844	0.2
195.18451	0.2
207.10201	7.7
207.12140	0.4
208.10535	0.3
211.02420	2.9
225.11369	0.3
271.04636	3.1
300.02811	0.6
301.03564	0.7
313.05905	0.2
387.16605	28.8
388.17007	1.5
439.12579	0.4
447.09552	0.7
479.15588	4.8
480.15692	0.4
494.90134	0.3
521.16467	1.7
539.17657	100.0
540.17993	6.0
849.46436	0.2
890.70319	0.2
1078.14380	0.3
1171.44775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1139.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01260	0.3
87.94247	0.2
93.03327	0.2
107.01241	0.9
111.26462	0.2
117.03341	0.6
123.04369	0.3
125.02307	0.4
132.02116	0.2
151.00253	2.0
153.01881	0.2
153.64751	0.2
155.04927	0.4
159.04395	0.5
163.00247	0.3
164.01028	0.6
165.01816	0.2
167.04884	0.2
169.01338	0.8
173.05975	0.2
181.81728	0.2
182.03604	0.4
183.04425	2.7
185.02345	0.2
187.03838	0.5
197.03897	0.2
199.03987	0.2
211.03908	2.2
212.04280	0.3
213.01862	0.2
226.02750	0.2
227.03386	2.2
228.03821	0.2
229.05034	0.3
231.38837	0.2
239.03494	0.2
241.04997	0.2
243.02882	0.2
255.02946	46.4
256.03360	2.1
257.04688	0.2
271.02512	0.3
283.02448	100.0
284.03098	13.0
285.03986	6.2
286.04349	0.3
300.02698	0.4
301.03482	0.6
317.94678	0.2
326.04416	0.2
327.04834	0.3
402.79370	0.2
416.07428	8.8
417.08127	3.2
428.07422	12.4
429.08087	3.8
431.10089	1.5
447.09186	0.9
448.09503	0.3
493.69232	0.2
563.14001	48.5
564.14343	3.5
575.14001	68.3
576.14307	4.3
718.43707	0.2
1113.24780	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.5689
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95749	1.0
81.03334	2.5
83.01250	7.6
85.02811	2.1
89.02312	3.0
93.03342	2.5
95.01264	2.0
95.04904	1.8
96.95912	1.0
97.02837	2.2
99.04391	1.4
101.02336	2.6
109.02828	4.6
113.02406	1.0
116.92750	1.4
121.02817	3.9
123.04348	1.3
125.02338	38.5
131.04915	1.0
135.04402	2.8
137.02348	26.5
139.03894	1.4
146.03638	14.2
147.04401	1.7
149.02356	1.7
150.03188	1.0
158.03722	0.9
159.04419	5.2
160.05237	2.3
161.05983	1.7
162.03192	1.3
163.00272	1.4
163.03914	1.4
164.01060	9.0
165.01849	20.7
167.03445	9.2
172.05228	3.4
173.05995	2.5
174.03130	7.2
174.06795	2.1
175.03864	2.6
176.04691	1.2
177.01859	3.2
179.03372	6.2
185.05984	1.9
186.06776	1.3
187.03941	3.1
188.04686	4.0
189.05594	1.0
195.04530	0.9
197.06039	1.5
200.04674	3.2
201.05501	2.9
202.06250	1.1
204.04240	2.7
209.05998	1.3
210.06837	2.0
211.04021	2.1
212.04739	6.9
213.05475	1.0
215.07152	1.3
225.05518	2.5
226.06334	1.4
227.07037	1.3
239.07016	1.2
243.13805	1.1
244.07306	1.2
251.07079	2.5
252.07858	2.8
255.23241	14.6
266.09238	1.1
268.07394	1.9
269.11884	1.9
270.08987	3.6
271.13391	18.1
272.13702	1.5
276.07944	1.2
281.11902	1.4
283.13538	2.5
285.15100	2.4
289.14371	5.5
294.09024	3.3
295.13513	2.5
297.14764	2.0
299.12964	7.2
301.14847	0.9
307.13467	1.0
309.14954	2.0
313.14453	7.4
314.14694	1.1
315.16089	1.6
317.13980	2.4
320.06552	1.0
325.14410	8.5
331.15338	1.7
333.14838	1.0
335.16461	2.2
337.14462	7.9
343.15521	5.2
351.16034	1.5
353.17645	1.9
355.15726	1.4
377.17590	3.2
379.15552	1.6
393.17227	3.0
395.18533	4.5
401.17404	1.3
419.18710	13.2
420.19315	1.7
421.17010	1.2
437.19653	6.0
463.17972	2.6
835.34253	2.7
879.33252	1.4
951.52954	1.6
967.52570	11.5
968.53430	1.4
979.52258	8.0
991.52789	10.0
997.54065	8.3
998.54553	1.3
1033.53833	1.6
1049.55933	1.4
1073.56738	18.2
1074.56787	3.8
1091.55835	4.8
1099.54395	6.7
1117.55774	100.0
1118.55811	17.6
1135.56885	69.3
1136.56531	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	1122.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95770	34.6
84.95396	0.1
96.96824	0.7
101.56283	0.1
104.97260	0.1
117.13324	0.1
122.98403	0.2
125.42083	0.1
134.98445	0.2
142.22263	0.1
152.99477	7.8
168.04218	3.9
171.00525	1.3
194.05785	0.2
224.06868	7.5
225.07202	0.1
227.03397	0.2
237.22244	0.4
242.07956	1.9
245.04274	5.3
253.21698	2.5
255.23247	100.0
256.23590	3.8
346.12720	0.1
406.93045	0.1
480.30911	48.5
481.15097	0.3
481.25604	6.5
481.31488	1.9
555.18506	0.2
572.15149	0.1
641.22540	0.5
810.27557	0.2
866.30334	0.5
897.46490	0.7
1033.45032	0.2
1090.51465	1.5
1091.52405	0.2
1122.54138	31.7
1123.53638	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	1123.488
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95773	72.4
86.16254	0.4
96.96835	3.5
98.20457	0.6
128.49944	0.4
141.01549	0.4
150.97949	0.7
152.99489	56.0
153.99818	0.8
168.04224	4.2
171.00549	17.0
173.01685	0.4
201.61488	0.4
222.83838	0.4
224.06871	7.9
225.07162	0.7
227.03253	2.7
237.22205	0.5
242.07964	2.0
245.04286	64.2
246.04608	1.3
253.21701	33.2
254.21983	1.3
255.23265	100.0
256.23608	22.4
282.66354	0.5
455.52066	0.4
480.23691	0.7
480.30939	34.7
481.25629	81.2
481.31409	9.6
482.26007	4.2
558.84082	0.5
589.21484	0.5
795.22906	1.0
795.37146	0.5
898.46735	0.6
1091.51208	1.7
1122.55396	3.9
1123.52893	36.6
1124.51428	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	1121.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
79.13724	0.3
81.03350	0.3
83.01241	0.6
83.04901	0.7
85.02834	0.7
87.00749	1.5
89.02318	1.5
93.03342	0.5
96.95857	0.4
97.02763	0.3
99.00734	0.5
100.98703	0.7
101.02325	1.6
103.00253	3.6
108.02098	0.3
109.02838	0.8
113.02310	1.1
117.03345	0.4
119.03381	0.4
119.04957	0.4
121.02820	1.3
122.03621	1.2
123.04398	1.3
125.02353	1.4
130.04170	0.5
133.02843	0.5
134.03621	0.7
135.04376	1.0
137.02338	0.9
139.03870	0.6
145.02847	1.2
146.03645	4.4
146.99251	1.3
147.04460	2.7
148.05238	0.3
149.00702	0.3
149.02315	0.6
150.03140	1.1
151.03879	0.6
158.03706	0.3
159.04420	2.8
160.05203	1.0
161.02347	1.0
161.05998	1.5
162.03053	1.0
162.06656	0.6
163.03984	1.7
163.11110	0.8
169.01286	0.7
172.05243	2.4
173.05948	0.9
174.03131	2.6
174.06787	0.7
175.03918	4.4
175.07477	0.4
176.04723	3.0
177.01877	0.6
178.02599	1.0
179.03458	0.6
185.06013	0.8
186.06752	0.9
187.03920	2.5
187.07555	0.6
188.04706	3.5
189.05518	1.9
190.02603	0.6
190.06271	7.3
200.04718	3.6
201.05524	1.5
202.06204	0.6
204.04239	0.9
205.05023	0.7
209.11761	7.1
210.12035	0.4
211.13382	2.0
212.04764	1.2
213.05476	0.5
214.06308	0.6
215.06984	0.3
216.04303	0.4
217.12300	1.1
218.05850	0.3
221.06560	0.8
225.05560	0.5
225.43137	0.3
226.06335	0.4
227.12863	0.4
229.05075	0.6
230.05682	0.6
231.13921	0.5
240.04451	0.4
241.12186	0.5
243.13748	0.5
245.11800	0.7
253.12425	0.4
255.13831	0.6
259.13187	1.4
267.10526	0.3
269.11743	0.8
269.15482	0.5
271.13382	7.1
272.13693	0.5
273.14883	0.6
283.13419	6.5
284.13748	0.7
285.14960	1.0
286.12112	0.3
287.12897	1.5
287.16431	1.0
289.14401	2.5
295.13480	0.8
297.14941	2.7
299.12811	2.9
299.16104	0.5
300.13254	0.5
301.14456	6.7
309.14954	0.6
311.13071	1.9
312.13510	0.8
313.14395	3.7
315.15997	19.4
316.16202	1.4
317.13950	1.2
317.17325	0.4
319.15567	0.4
325.14432	6.7
326.14676	0.5
327.12430	0.5
327.16150	1.1
329.14032	3.3
330.14420	0.5
331.15555	1.3
333.17090	5.8
337.14508	2.5
339.16177	0.6
341.13782	0.4
343.15552	4.3
345.17316	0.4
347.14847	1.0
353.14044	0.6
355.15524	2.8
357.17136	1.5
361.16528	0.6
369.13565	0.6
373.16348	1.7
375.18048	0.6
383.15051	0.4
391.17874	0.6
399.69028	0.3
571.53033	0.3
580.50195	0.3
904.60156	0.4
927.41962	0.9
981.43469	1.0
983.44598	1.1
995.40356	1.0
999.44556	5.2
1000.44806	0.8
1015.43933	0.8
1027.44275	1.0
1045.45374	0.9
1047.46289	0.6
1089.43958	6.4
1090.44958	0.8
1103.45044	2.2
1104.44922	0.6
1121.46545	100.0
1122.46729	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	111.0075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01752	36.7
63.36243	4.6
64.50262	4.6
66.98418	4.4
67.01749	30.5
69.85528	9.0
69.85947	22.5
71.01246	10.3
78.95776	57.6
83.01254	94.5
110.97507	6.0
111.00759	100.0
112.01101	7.9
129.75186	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	1121.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01762	0.4
81.03339	0.2
83.01240	0.4
85.02821	0.4
87.00740	0.2
89.65840	0.1
93.03377	0.2
95.01259	0.8
97.02842	0.8
99.00778	0.2
101.02324	0.8
107.01261	5.9
108.02085	0.1
109.02831	0.3
111.00729	1.0
113.02305	0.8
121.02824	0.9
123.00761	6.2
124.01580	0.6
125.02325	28.8
126.02705	0.4
127.00234	0.4
131.10495	0.1
135.04443	0.2
136.98709	0.5
137.02325	0.3
139.00250	1.6
139.03893	0.5
140.01050	1.6
141.01796	0.8
145.02881	0.2
149.02370	0.2
151.00256	6.3
151.03882	0.2
153.01834	0.4
159.04382	0.2
161.02347	0.1
163.00258	0.4
163.03868	0.1
165.01807	0.3
166.99773	0.4
167.03383	0.3
168.00533	2.9
169.01323	45.7
170.01669	0.9
178.99695	0.4
179.03384	0.3
181.01373	0.2
183.02919	2.5
193.01314	0.4
195.02919	0.3
211.02345	1.0
223.02481	0.4
225.03893	0.3
226.02612	0.1
227.03477	0.2
229.04982	0.2
240.04164	0.2
241.03487	1.4
243.02866	0.6
245.04558	0.2
251.61417	0.1
253.03580	0.7
255.02945	1.6
255.10185	0.2
269.08160	2.1
270.08496	0.2
271.02432	3.5
272.02838	0.3
276.14938	0.1
281.08319	0.2
283.02545	0.3
283.09720	1.1
295.09808	0.2
297.06241	0.6
298.12088	0.1
299.09186	1.5
300.02716	5.1
300.06128	0.2
300.09961	0.4
301.03497	3.7
305.14713	0.1
311.09262	2.3
312.04953	0.2
312.09927	0.7
313.05624	18.8
314.05899	0.6
314.11526	2.1
315.12354	1.8
325.10794	0.3
326.11554	1.8
327.07190	1.1
327.12177	0.8
329.13925	3.4
330.14371	0.2
341.13898	1.3
447.09277	4.0
448.09576	0.2
655.20068	0.2
671.19470	0.2
672.21204	0.6
673.21259	100.0
674.21576	7.9
908.18634	0.2
951.26642	0.1
957.85101	0.2
1013.73505	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	1059.574
Annotation	Unknow
Peak:m/z	Relative Intensity
73.47191	1.0
75.00762	1.3
83.01255	1.6
85.02822	3.2
86.55542	1.1
87.00759	11.2
89.02318	6.8
96.95890	3.9
97.02824	4.8
99.00742	1.7
101.02303	7.8
111.08032	6.7
113.02335	5.2
115.00244	9.4
119.03389	2.3
125.02319	3.8
125.09619	1.5
141.01582	2.5
143.03374	1.7
165.12740	2.5
169.01459	1.4
169.04906	1.0
169.12244	4.4
171.10248	1.9
175.02396	24.5
179.05560	3.5
181.12273	1.4
197.11755	35.4
199.13382	2.3
207.10223	1.4
209.11824	3.3
211.13301	7.2
227.12775	3.2
233.11546	2.2
233.60129	1.2
235.08264	2.1
247.20488	1.3
273.18405	1.6
277.21753	2.0
291.19604	20.3
292.19827	1.3
293.21167	1.2
309.20691	100.0
310.20886	6.8
323.09924	1.9
369.16251	3.6
379.12186	1.9
397.13461	23.4
415.14539	18.1
601.40601	1.7
689.34583	6.3
707.35278	9.9
778.25085	1.2
793.23547	1.4
1059.52771	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	1103.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02809	0.5
86.39812	0.4
93.03299	0.9
95.01247	0.4
101.02301	0.6
107.01260	5.1
111.00761	1.0
113.02319	1.0
119.04910	33.4
120.05241	0.7
121.02834	0.6
123.00770	4.3
124.01597	1.0
125.02327	24.1
127.00213	0.4
137.02332	0.5
139.00266	1.7
140.01031	1.0
141.01801	0.9
148.01634	0.4
151.00270	7.1
153.01862	0.5
163.00253	0.6
163.03906	17.6
164.00992	0.4
168.00523	1.6
169.01329	43.8
170.01639	0.6
178.99814	1.9
211.02412	1.1
223.02507	0.6
226.02438	0.4
226.10913	0.4
227.03377	1.1
241.03441	1.5
243.02907	4.0
252.34848	0.4
253.03450	0.6
254.02179	0.8
255.02960	11.3
269.95105	0.4
271.02460	24.6
272.02939	2.0
299.01984	1.4
300.02728	49.4
301.03403	6.3
313.05643	33.0
314.06036	0.8
399.14410	0.5
429.22104	0.6
433.11359	1.5
477.10345	100.0
478.10733	4.3
599.53400	0.4
625.14032	34.7
626.14032	2.2
819.96692	0.5
917.16168	0.4
1116.35449	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
75.20827	0.1
83.01241	0.7
91.01750	0.2
107.01260	1.9
108.02013	0.9
109.02843	1.0
119.01266	0.2
121.02844	1.3
123.00801	0.2
124.01589	0.3
125.02328	1.1
133.02881	0.2
135.00786	0.4
137.02336	0.7
146.03551	0.2
148.01494	0.7
149.02359	0.2
151.00259	6.9
152.00989	0.3
153.01823	0.3
159.04391	0.3
161.02318	0.3
163.00255	1.8
163.03893	0.2
164.01015	0.7
165.01778	0.2
169.01332	1.1
171.04475	0.3
171.61415	0.1
175.03915	0.4
177.01834	0.2
178.98189	0.3
178.99760	4.3
182.04735	0.1
183.04430	0.4
185.05980	0.2
185.64445	0.1
187.03851	0.4
189.01855	0.2
190.99767	0.3
192.00613	0.3
193.01265	0.2
198.02785	0.2
199.03896	0.5
201.01959	0.2
203.03481	0.4
211.03908	0.6
213.01802	0.2
214.02650	0.4
215.03453	0.5
216.04124	0.4
217.01230	0.2
226.02660	1.1
227.03441	1.9
228.04105	0.2
229.05003	0.4
239.03481	0.2
242.02213	0.2
243.02948	6.4
244.03394	0.5
245.04436	1.0
246.41240	0.1
254.02168	1.5
255.02942	17.1
256.03345	0.8
257.04547	0.2
259.02490	0.4
261.24103	0.2
270.01654	0.4
271.02448	39.8
272.02905	3.1
273.03876	0.7
283.02469	1.4
284.03088	0.6
285.04028	1.0
287.01953	1.3
287.15915	0.2
289.07220	0.2
299.01907	1.8
300.02713	75.9
301.03445	28.3
302.03806	1.2
315.01395	0.5
316.02191	7.1
317.02899	2.4
318.03363	0.2
343.04700	0.2
353.85141	0.1
373.43701	0.2
425.08582	0.3
461.07141	0.2
462.08014	0.4
463.08771	100.0
464.09088	6.6
479.08197	0.6
593.15265	1.0
594.17273	0.2
723.06451	0.2
802.52289	0.2
912.72955	0.2
942.77142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	19.0
70.44611	4.2
72.99177	70.5
73.99479	1.5
75.00745	38.0
103.00235	1.5
105.01814	100.0
106.02150	2.8
106.03983	6.4
118.05264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	19.0
70.44611	4.2
72.99177	70.5
73.99479	1.5
75.00745	38.0
103.00235	1.5
105.01814	100.0
106.02150	2.8
106.03983	6.4
118.05264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.5431
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02824	2.5
78.95097	1.2
79.41955	1.3
81.03305	2.2
83.01274	4.4
83.04884	1.9
85.02826	4.5
87.00752	3.9
89.02309	12.5
95.01266	2.2
95.04871	2.8
97.02824	5.0
97.06467	4.1
99.00738	1.5
101.02322	12.7
109.06411	1.7
113.02329	8.6
119.03377	4.3
123.04404	4.0
123.08049	1.4
125.02348	5.4
125.09609	5.6
135.08066	2.7
137.02296	2.0
137.09613	3.6
143.03380	2.5
161.04440	2.8
163.11171	8.1
165.12737	2.6
169.01247	1.7
171.10316	1.6
179.05501	4.9
179.78790	1.2
182.80653	1.3
185.11734	10.5
191.10754	1.7
191.14317	12.2
207.10185	5.2
209.11760	26.2
211.13397	2.6
217.15945	1.7
225.11267	3.9
227.12860	2.1
235.08144	4.4
237.11282	2.2
245.19090	22.2
263.20117	7.0
271.16922	3.0
281.21255	1.9
289.18088	94.1
290.18323	3.8
305.08789	2.3
307.19135	100.0
308.19565	5.6
309.20605	2.4
311.16757	2.5
325.20203	2.4
331.19299	2.9
360.74222	1.7
379.12482	1.9
397.13464	33.7
415.14581	16.0
607.26526	2.1
687.31970	4.2
688.33466	1.7
705.33362	4.5
786.32239	1.3
798.57080	1.5
879.44250	1.6
885.97943	1.8
897.45245	2.7
962.11548	1.6
977.50891	3.7
995.51843	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	1043.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99181	14.7
73.02831	3.3
75.00732	2.2
77.24476	1.4
83.01262	5.4
85.02820	6.3
87.00741	18.1
89.02316	19.3
96.95892	3.1
97.02852	4.1
99.00780	8.1
101.02309	13.6
111.00748	3.3
112.98669	14.9
113.02321	10.8
115.00272	21.9
118.24596	1.8
119.03376	5.3
121.06544	2.1
124.98711	4.3
125.02323	10.3
142.99750	38.6
143.03416	2.8
145.01401	3.4
156.00565	1.8
161.04503	3.7
173.00813	6.7
174.01588	22.6
175.02397	39.3
175.03899	2.6
179.05527	5.7
183.13837	5.7
193.12259	3.4
197.07820	1.8
197.11691	1.8
199.05661	1.8
205.12311	2.3
211.13327	100.0
212.13719	3.1
221.06654	3.3
223.13316	5.6
235.08211	3.8
239.12889	2.3
251.12852	2.1
253.09227	1.8
263.12833	5.9
277.21713	59.4
277.24765	3.3
278.22037	3.8
279.16016	1.7
287.07834	2.4
291.19843	2.0
293.21320	2.7
305.08649	2.2
309.20743	4.2
379.12350	17.8
397.13455	54.7
398.13861	2.0
415.14642	8.7
591.26605	16.0
592.27777	2.0
609.27454	13.1
645.51123	1.8
657.34656	5.5
675.35925	4.1
784.48627	2.2
869.49133	5.2
907.47412	3.6
921.48944	5.4
925.47809	16.0
939.49475	4.4
943.49689	6.4
963.50732	2.9
965.47302	12.5
983.48340	6.5
1025.50024	10.1
1043.49731	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	1041.564
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99161	2.6
73.02833	2.8
77.55456	1.7
78.95758	3.2
85.02833	3.3
87.00767	3.0
89.02308	12.0
91.02438	1.8
96.95849	2.4
97.02842	4.9
101.02309	11.9
109.41736	1.8
110.34695	1.9
113.02319	8.1
116.92776	3.0
118.79925	1.7
119.03379	2.6
121.93481	1.9
123.07993	1.8
125.02285	3.5
125.09576	4.1
158.40247	2.0
161.04463	2.4
163.11154	5.0
177.12830	2.4
179.05571	3.9
185.11714	4.2
186.09344	2.2
191.14349	6.3
195.13870	5.5
209.11777	9.8
211.13307	6.8
213.02100	2.0
223.13342	4.2
235.08162	4.2
245.19049	10.6
268.21317	2.0
271.16968	2.0
275.20251	5.7
289.15125	3.7
289.18079	44.7
290.18478	2.6
293.21216	100.0
294.21570	5.4
298.53000	1.9
307.19144	47.7
310.29300	1.8
379.12466	4.0
397.13440	38.7
398.13821	4.0
408.16760	2.0
409.12875	2.4
415.14447	18.7
650.75165	2.3
687.32129	4.1
963.54694	2.3
981.53772	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	1043.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01263	0.5
107.01260	1.9
108.02053	0.6
109.02851	0.5
116.26640	0.2
121.02818	0.8
125.02293	0.2
135.00745	0.3
139.52646	0.2
148.01567	1.0
151.00270	7.9
163.00317	1.5
164.01099	0.4
169.01323	0.7
178.99771	4.7
183.04326	0.2
187.03993	0.3
190.99796	0.3
192.00586	0.4
193.01187	0.3
199.03876	0.5
201.05428	0.2
211.03943	0.9
215.03488	0.5
216.04369	0.3
221.25687	0.2
226.02534	1.0
227.03448	1.7
229.04990	0.5
243.02943	4.9
244.03377	0.3
245.04533	0.8
254.02158	1.2
255.02951	14.0
256.03375	1.0
257.04694	0.2
271.02454	29.9
272.02924	2.4
273.03912	0.8
283.02448	0.5
299.01941	1.6
300.02725	71.6
301.03473	39.1
302.03873	2.1
303.88461	0.2
316.02222	0.3
343.04587	0.4
433.07660	1.3
447.09296	10.9
448.09750	1.1
463.08789	100.0
464.09113	8.0
495.77835	0.3
579.13586	1.7
699.42865	0.3
1026.39355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
82.81662	0.2
83.01266	0.7
91.58929	0.2
95.13261	0.3
107.01254	1.3
108.02045	0.4
109.02836	0.7
114.45577	0.3
121.02820	1.4
125.02335	0.7
139.00308	0.4
150.99110	0.5
151.00267	7.8
153.01836	0.3
163.00281	1.6
165.01820	0.3
168.44630	0.3
169.01334	1.1
171.04413	0.3
178.99770	3.7
183.04439	0.6
187.03865	0.6
192.00554	0.3
199.03958	0.5
201.05402	0.3
211.03938	1.1
213.05429	0.5
214.02594	0.3
215.03485	0.6
227.03433	20.3
228.03807	1.2
229.05003	1.2
239.03418	0.4
241.01326	1.0
242.02182	0.6
243.02927	2.8
245.00829	0.6
245.04422	0.7
254.02283	0.5
255.02943	33.1
256.03528	3.4
257.04517	0.6
258.01709	0.3
270.01672	1.7
271.02451	17.4
272.02942	0.9
273.03888	0.6
283.02356	1.5
284.03241	26.6
285.03940	7.3
287.02063	1.0
298.01245	0.6
299.01944	6.8
300.02710	34.2
301.03473	30.3
302.03815	1.9
315.01428	0.6
316.02164	1.7
317.02997	1.0
327.05042	1.1
344.97162	0.3
367.10272	0.6
431.05975	2.7
431.09924	0.3
432.07330	0.5
433.07797	2.5
447.09293	100.0
448.09671	6.3
449.06964	1.8
461.07123	0.6
463.08752	2.0
535.83661	0.3
593.14905	4.1
607.12787	0.6
820.47668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
75.30989	0.2
83.01249	0.9
91.01756	0.3
93.03355	0.3
107.01273	3.0
108.02042	0.8
109.02845	1.7
111.88527	0.2
119.01286	0.4
121.02840	2.8
122.03152	0.3
125.02310	0.4
135.00732	0.6
139.03909	0.4
143.04930	0.3
148.01530	0.9
149.02316	0.5
151.00267	13.7
152.00568	1.1
153.01807	0.2
156.72496	0.2
159.04362	0.5
163.00278	3.3
164.00966	0.5
169.01305	1.2
171.04349	0.3
173.84181	0.3
174.03177	0.3
175.03839	0.3
178.99770	7.2
179.03256	0.3
180.00146	0.8
183.04411	0.6
185.05969	0.2
187.03981	0.6
190.99831	0.2
192.00391	0.3
199.03880	0.7
201.05457	0.4
203.03339	0.3
211.03961	1.2
212.04353	0.3
212.74971	0.2
215.03426	0.5
216.04091	0.3
226.02711	0.9
227.03363	2.4
228.03821	0.6
229.04997	1.1
239.03574	0.4
243.02954	5.6
244.03316	1.1
245.04576	1.7
254.02194	1.4
255.02957	17.8
256.03339	2.9
257.03598	0.6
266.02237	0.3
271.02454	33.3
272.02847	6.1
273.03656	1.7
274.04321	0.2
283.02432	1.5
284.03030	0.2
285.03711	0.3
299.01987	2.7
300.02716	67.2
301.03433	63.2
301.10468	0.3
302.03696	12.0
303.04041	3.0
367.10312	0.6
428.30026	0.2
446.08298	0.5
447.09268	100.0
448.09631	22.9
449.09842	10.0
450.09821	0.3
470.90088	0.2
593.15015	3.3
594.15253	0.2
907.87762	0.3
959.48053	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03355	1.0
83.01248	3.6
83.42602	0.9
93.03296	1.0
95.04906	2.0
97.02831	3.7
102.59383	0.9
107.01245	2.5
108.02026	2.2
109.02827	13.8
121.02832	3.1
123.04414	9.7
125.02334	100.0
126.02651	2.2
128.49286	0.9
133.02831	3.5
135.04427	1.3
137.02333	22.0
139.03877	2.5
149.02354	4.5
151.00285	9.3
151.03928	8.2
159.04417	3.5
161.02342	22.1
161.05983	3.4
162.03084	1.7
163.00223	2.6
163.03854	2.5
164.01041	4.3
165.01811	2.7
167.03409	1.3
169.01196	2.0
175.03920	6.5
175.07487	1.0
177.01819	4.2
177.05417	1.8
178.99805	6.7
179.03412	3.1
183.04410	1.1
185.06010	1.0
187.03963	5.5
188.04669	2.9
189.01974	0.9
195.65868	0.8
199.07578	1.0
201.05458	2.1
203.03462	1.2
203.07071	8.6
205.01247	1.3
205.05005	5.5
211.03955	1.5
215.03453	1.8
217.04951	1.7
221.08157	1.5
226.02600	1.5
227.03496	3.3
227.07011	1.9
229.05026	3.5
243.02942	9.1
245.04459	5.0
245.08170	13.4
247.05940	1.5
254.02135	1.6
255.02943	25.6
256.03622	3.4
257.04532	1.8
269.04391	1.2
271.02463	47.5
272.02972	2.6
273.04004	6.8
281.04572	3.0
283.02393	2.3
285.04086	3.6
287.05600	16.0
288.05780	1.0
289.07169	68.7
290.07431	2.8
297.04092	1.5
297.07416	1.1
299.02069	2.3
299.05536	7.1
300.02731	82.0
300.80820	1.0
301.03470	31.0
316.02277	5.2
317.02887	2.6
339.08728	3.7
381.09641	1.5
382.09579	1.3
407.07684	52.5
408.07941	3.0
425.08762	68.9
426.09067	4.0
451.10306	16.6
452.10757	1.5
463.08804	79.8
464.08850	5.5
559.12476	3.0
577.13470	52.2
578.13831	5.0
606.71362	0.9
637.21173	1.0
747.99054	1.0
794.71045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01247	0.8
91.01231	0.1
91.01757	0.2
93.03336	0.3
99.62153	0.1
105.94688	0.1
107.01263	2.5
108.02050	0.8
109.02825	1.6
110.03232	0.1
119.01270	0.2
121.02833	1.9
121.03663	0.1
122.03166	0.1
123.00768	0.1
124.01517	0.1
125.02337	0.3
135.00812	0.4
135.01677	0.1
137.02307	0.2
139.03917	0.1
148.01570	0.7
149.02359	0.3
151.00261	10.7
152.00673	0.2
153.01817	0.2
155.04874	0.1
157.06520	0.1
159.04396	0.3
161.02350	0.2
163.00272	2.4
163.03888	0.2
164.01114	0.4
165.01878	0.1
167.04927	0.1
169.01341	0.9
171.04385	0.2
173.05978	0.2
175.03922	0.3
177.01814	0.1
178.99776	5.5
180.00148	0.2
182.03729	0.1
183.04491	0.5
184.05263	0.1
185.02419	0.1
185.05951	0.2
187.03928	0.5
189.05458	0.1
190.99799	0.3
192.00583	0.3
193.01320	0.1
195.04601	0.1
198.03033	0.2
199.03867	0.6
201.01868	0.2
201.05498	0.5
202.02763	0.1
203.03441	0.3
205.04988	0.1
211.03923	1.1
212.04427	0.2
213.01755	0.1
214.02545	0.1
215.03474	0.5
216.04210	0.3
217.04903	0.1
226.02637	0.7
227.03448	2.2
228.04057	0.2
229.01282	0.2
229.04982	0.9
239.03322	0.4
240.04160	0.2
241.01466	0.1
242.01915	0.1
243.02945	5.3
244.03523	0.4
245.04489	1.8
254.02182	1.1
255.02946	16.4
256.03403	1.0
257.04486	0.3
266.02194	0.2
271.02451	30.6
272.02914	2.1
273.03995	1.2
283.02448	1.7
284.03232	0.3
285.03885	0.1
296.70380	0.1
299.02017	1.9
300.02716	60.3
301.03464	47.1
302.03833	2.2
316.02121	0.1
317.02969	0.1
327.04852	0.1
343.04312	0.1
401.53412	0.1
445.07974	0.5
446.08109	0.2
447.09259	100.0
448.09625	7.0
463.08682	0.2
473.10666	0.2
583.17365	0.1
591.13525	2.9
592.13995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01263	0.5
91.01771	0.3
93.03336	0.3
107.01271	2.5
108.02064	0.6
109.02838	1.8
119.01273	0.2
120.66256	0.2
121.02836	2.0
124.01579	0.3
125.02316	0.4
135.00752	0.5
147.00777	0.3
148.01526	0.8
149.02333	0.4
151.00270	10.1
153.01810	0.2
159.04408	0.2
163.00296	2.4
164.01009	0.5
165.01837	0.2
169.01396	0.9
173.05923	0.2
178.99767	5.4
183.04398	0.4
187.03937	0.4
190.99722	0.2
192.00558	0.2
199.03941	0.5
201.05530	0.4
203.03487	0.3
211.03938	1.3
215.03398	0.6
216.04268	0.4
226.02742	0.8
227.03467	2.1
228.03993	0.4
229.04984	0.7
239.03360	0.3
243.02971	5.0
244.03523	0.3
245.04497	1.6
251.30304	0.2
254.02335	1.3
255.02962	15.2
256.03448	1.0
257.04346	0.2
266.02203	0.3
271.02460	30.2
272.02917	2.2
273.04056	1.3
283.02478	1.7
284.02945	0.2
299.02014	2.0
300.02731	59.1
301.03482	45.5
302.03867	2.0
336.01538	0.2
445.07837	0.4
446.08359	0.3
447.09280	100.0
448.09622	6.5
589.58148	0.2
591.13727	1.6
667.30450	0.2
981.86621	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1039.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01250	0.7
91.01762	0.3
92.82120	0.2
93.03339	0.3
96.95869	0.2
99.53222	0.1
107.01266	2.5
108.02049	0.9
109.02843	1.3
119.01244	0.2
119.04905	0.4
121.02842	2.0
124.01518	0.2
125.02309	0.6
135.00761	0.3
137.02306	0.3
145.02818	0.3
145.22171	0.2
148.01579	0.7
149.02319	0.4
151.00267	10.3
152.00711	0.3
153.01842	0.3
159.04401	0.5
161.02330	0.4
162.66232	0.2
163.00269	2.8
163.03903	0.2
164.01025	0.4
167.04976	0.2
169.01358	1.1
175.03925	0.2
178.99776	5.1
180.00020	0.2
183.04419	0.4
187.03918	0.6
192.00552	0.3
193.01483	0.2
199.04005	0.4
201.05492	0.6
203.03410	0.4
211.03938	1.2
212.04614	0.2
213.01756	0.3
215.03427	0.4
216.04230	0.4
221.04370	0.2
226.02763	0.8
227.03435	2.2
229.05031	0.8
239.03477	0.4
243.02948	5.4
244.03612	0.2
245.04478	1.6
254.02200	1.4
255.02946	16.6
256.03430	1.1
257.04462	0.4
270.01645	0.2
271.02460	31.4
272.02942	2.4
273.04013	1.1
283.02402	1.6
284.03000	0.3
285.03979	0.5
299.02045	2.0
300.02728	60.3
301.03476	43.2
302.03796	2.5
317.02878	0.2
343.04553	0.2
445.07635	1.4
446.08133	0.6
447.09290	100.0
448.09616	7.7
463.08630	0.5
486.72571	0.2
575.13892	0.2
591.13538	2.7
592.14154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
72.50399	1.4
87.00755	1.6
88.98696	1.7
89.02310	5.8
91.44884	1.7
91.76733	1.4
96.95901	3.9
97.02767	1.4
101.02325	4.7
111.08069	4.5
113.02264	2.8
116.92743	3.3
119.03379	1.5
121.02829	2.4
125.02321	5.2
153.12827	1.3
169.12183	1.5
171.10123	2.0
174.28485	1.4
179.05542	2.8
197.11723	24.1
199.09306	1.3
199.13332	1.9
211.13324	6.5
227.12802	2.1
243.33701	1.6
265.14630	1.7
275.11703	1.5
291.19666	16.0
293.21329	2.9
297.15259	2.3
309.20691	100.0
310.20941	6.3
397.13474	23.4
415.14502	13.8
487.13220	1.5
505.49857	1.8
601.40796	2.2
663.26843	1.8
689.33875	9.2
707.34937	10.7
708.35657	2.0
783.88898	1.7
826.26202	1.8
863.94415	1.8
999.54858	4.7
1035.52881	44.4
1036.53015	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	1035.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02801	1.7
87.00740	1.6
89.02294	4.6
96.95866	3.6
99.92433	3.9
101.02304	4.3
111.08030	3.3
113.02310	4.0
116.92734	26.2
116.97115	1.6
119.03403	2.8
121.02794	2.1
125.02302	1.8
131.88489	1.9
136.86620	1.3
161.04466	1.7
165.12741	1.6
169.12244	1.4
179.05542	3.3
197.11766	22.8
199.13403	1.8
209.11708	2.0
211.13309	4.8
230.13179	1.7
235.08185	2.2
248.57593	1.3
250.61856	1.5
291.19650	13.3
293.21213	2.0
309.20691	100.0
310.20999	5.3
373.71356	1.6
379.12466	2.5
391.31610	1.6
397.13452	23.9
415.14478	10.7
559.47791	1.8
601.41290	2.5
689.34326	7.3
707.34961	14.4
708.34857	1.8
924.87360	1.5
999.55737	9.6
1000.54858	1.9
1033.73181	1.6
1035.52881	50.3
1036.52747	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	1031.5798
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56693	1.0
72.99179	0.8
73.02822	1.7
73.85800	0.5
78.95778	0.6
79.95601	1.2
81.03325	0.8
82.54620	0.5
83.01261	0.7
83.04871	1.6
84.02029	2.4
85.02824	3.2
87.00754	2.8
89.02308	8.5
93.03322	0.6
95.01236	1.3
96.95885	18.4
96.96832	1.0
97.02847	3.5
97.06446	4.8
98.95453	0.6
99.04373	0.7
99.92460	1.5
101.02305	8.6
109.06498	0.7
111.04391	0.7
111.08034	4.2
113.02326	5.0
116.92729	8.4
116.97113	1.0
119.03364	1.7
123.08034	0.8
125.02333	4.1
125.09600	1.5
127.07548	0.6
130.60553	0.5
131.03363	0.6
137.09573	1.0
143.03374	1.4
145.05989	0.6
151.11177	0.7
153.09071	0.5
161.04453	1.8
163.11168	1.0
165.12683	1.3
169.12270	2.0
171.10173	13.6
175.11119	0.7
177.12759	0.8
179.05533	3.4
179.10712	0.8
181.12219	1.3
183.13885	0.8
185.11777	0.7
193.12260	8.6
197.11755	18.6
199.13222	1.7
201.11191	0.6
209.11789	1.9
211.13345	6.0
221.06606	1.3
221.11742	0.8
225.14903	11.7
227.12820	1.0
235.08145	2.4
243.15947	4.8
247.20581	0.7
253.14424	1.1
263.20166	1.9
265.18109	0.8
273.18381	0.7
287.07602	1.2
289.18027	0.8
291.19659	12.2
292.20096	0.6
293.21155	0.9
297.12921	0.6
305.08749	1.3
307.19046	1.2
309.20688	50.0
310.21042	2.3
323.09668	0.8
323.22266	1.0
325.20166	1.3
327.21762	2.1
341.23279	100.0
342.23679	6.1
379.12430	1.1
397.13483	22.3
398.13641	1.5
415.14569	16.8
416.15085	0.9
592.87585	0.6
633.43750	4.4
634.44568	1.0
689.33984	1.2
707.35211	4.3
721.36646	2.8
739.37183	4.6
740.37506	0.7
747.85272	0.7
1031.53906	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	1027.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01243	12.8
73.02813	3.0
73.44281	1.2
75.02180	1.3
80.48659	1.2
85.02837	4.2
87.00761	3.9
89.02306	13.6
95.01254	1.6
97.02832	4.3
97.61781	1.2
99.00829	1.4
101.02305	11.5
111.08044	8.1
113.02317	8.9
116.92735	4.6
119.03394	4.9
125.02320	5.9
135.93745	1.4
143.03406	3.2
161.04469	5.4
165.12743	1.2
169.12218	3.1
171.10246	2.0
179.05531	5.3
181.12312	1.4
197.11757	37.6
199.13393	2.8
211.13306	7.1
221.06557	1.6
235.08212	5.6
245.06528	1.4
246.19630	1.3
263.20059	1.8
273.18478	2.2
277.21713	46.4
278.22128	2.7
287.07541	2.1
291.19662	22.0
305.08701	2.7
309.20685	100.0
310.21191	5.8
323.10010	1.4
369.26465	1.4
379.12436	5.5
397.13455	48.0
398.13556	2.8
415.14554	16.1
569.41669	2.0
675.35742	2.3
689.33698	3.8
707.34521	4.8
837.50818	1.6
969.79321	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	1031.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02801	0.2
79.01775	0.3
83.01255	0.4
85.02811	0.4
87.00751	0.2
93.03336	0.4
95.01260	0.8
97.02834	0.5
101.02298	0.7
107.01266	4.3
109.02865	0.2
111.00775	0.8
113.02340	0.6
119.04912	27.2
120.05236	0.6
121.06454	0.2
123.00762	5.9
123.04436	0.2
124.01567	0.5
125.02332	24.0
126.02676	0.4
127.00257	0.4
133.06474	0.4
136.98698	0.6
137.02318	0.3
139.00281	1.4
139.03908	0.2
140.01103	1.0
141.01828	1.0
144.05721	0.4
145.02863	0.2
146.40103	0.1
151.00272	4.3
151.03766	0.2
153.01823	0.4
161.02391	0.2
161.05878	0.2
163.03912	11.7
164.04199	0.3
165.01839	0.2
166.99780	0.1
167.03539	0.1
168.00563	1.9
169.01331	34.7
170.01691	1.0
177.09126	0.5
179.03418	0.2
181.01407	0.2
195.94923	0.1
203.10645	0.2
211.02419	1.7
221.11888	0.3
223.02350	0.4
241.03514	0.8
253.03473	0.6
271.04544	1.4
313.05640	18.3
313.35187	0.1
314.06085	0.8
324.97064	0.1
390.89075	0.1
433.11386	3.2
434.11530	0.3
449.79688	0.1
459.09241	1.0
477.10330	100.0
478.10684	6.8
553.19226	18.7
554.19525	1.6
991.73047	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58615	0.1
80.49736	0.1
83.01250	0.4
85.88316	0.1
91.01741	0.1
93.03324	0.2
107.01261	1.3
108.02045	0.8
109.02818	0.7
111.00814	0.1
119.01278	0.1
121.02846	1.1
123.00806	0.1
124.01558	0.2
125.02293	0.3
133.02824	0.1
135.00763	0.5
138.99278	0.1
147.00842	0.1
148.01550	0.8
149.02286	0.2
151.00264	5.9
152.00798	0.2
153.01808	0.3
159.04417	0.2
161.02377	0.2
163.00281	1.3
163.03856	0.2
164.01080	0.5
165.01872	0.1
169.01349	0.7
171.04344	0.1
174.03070	0.2
175.03882	0.2
178.98174	0.2
178.99768	2.8
182.03584	0.1
183.04395	0.2
186.21460	0.1
187.03894	0.4
188.04556	0.1
189.05406	0.1
190.99759	0.2
192.00522	0.3
198.03046	0.3
199.03812	0.5
201.01901	0.3
201.05495	0.3
202.02524	0.1
203.03448	0.3
211.03894	0.6
213.01808	0.2
214.02357	0.1
215.03485	0.4
216.04236	0.4
226.02675	1.1
227.03439	2.0
228.03973	0.3
229.01515	0.1
229.04955	0.3
239.03377	0.2
241.01514	0.2
242.01955	0.2
243.02956	7.1
244.03453	0.6
245.04503	0.7
254.02176	1.8
255.02948	18.9
256.03345	1.2
257.03809	0.1
270.01508	0.2
271.02454	41.7
272.02927	3.8
273.03888	0.6
283.02350	0.8
284.03165	0.2
285.03934	0.2
298.00998	0.2
299.01990	2.7
300.02719	100.0
301.03403	26.5
302.03677	2.2
303.04126	0.1
316.02072	0.2
343.04352	0.2
431.06311	0.5
432.06586	0.5
433.07697	86.5
434.08011	6.9
435.08243	0.7
447.09280	8.9
448.09589	1.5
449.10037	0.7
463.08875	1.4
464.08820	0.1
579.13306	0.8
593.14960	0.6
753.04120	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	1027.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01258	0.4
89.36240	0.2
107.01292	1.5
108.02065	0.9
109.02831	0.6
121.02831	0.9
125.02281	0.3
135.00821	0.4
148.01530	0.9
151.00266	6.0
152.00597	0.2
153.01860	0.2
159.14775	0.2
161.02364	0.2
163.00304	1.5
163.03923	0.3
164.01085	0.3
169.01306	0.6
175.03967	0.2
178.99768	2.7
183.04430	0.3
187.03964	0.4
199.03929	0.5
201.01889	0.2
201.05408	0.2
203.03436	0.3
204.50594	0.2
211.03983	0.6
213.01845	0.3
214.45436	0.2
215.03473	0.5
216.04185	0.5
226.02753	1.3
227.03474	2.0
227.97311	0.2
229.04958	0.4
229.39201	0.2
241.01570	0.2
243.02945	7.7
244.03452	0.7
245.04410	0.8
254.02225	1.8
255.02950	21.9
256.03354	1.6
257.04434	0.2
270.01511	0.3
271.02457	49.1
272.02927	4.0
273.03790	0.8
283.02429	0.9
284.03204	0.3
285.03976	0.3
288.35059	0.2
299.01996	2.5
299.04971	0.3
300.02722	100.0
301.03415	26.4
302.03647	2.3
303.04254	0.4
343.04498	0.4
431.06049	0.3
432.06546	0.4
433.07703	94.9
434.08023	6.4
435.08148	0.9
447.09296	9.7
448.09464	1.8
449.09821	0.8
463.08835	2.1
579.13422	0.7
593.14355	0.4
710.44037	0.2
818.75885	0.2
1022.78644	0.2
1030.17578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	31.7
71.19907	2.9
72.99190	2.1
73.02821	4.0
81.03331	3.0
83.01253	4.7
85.02823	8.8
87.00749	6.2
89.01812	2.4
89.02316	25.4
93.29089	1.4
95.01280	4.5
95.04878	1.8
97.02840	7.4
97.06467	3.4
99.00699	1.9
99.04406	1.5
101.02316	24.3
109.06437	2.3
109.75463	1.4
113.02331	14.6
119.03360	5.6
120.05877	1.5
123.04444	3.5
125.02336	12.8
125.09595	6.5
135.08092	1.8
137.09613	5.0
141.01839	1.6
143.03352	5.2
156.39619	1.4
161.04445	7.0
163.11169	6.5
179.05510	7.4
185.11832	7.9
191.14369	9.3
191.15831	1.6
207.10211	4.6
209.11766	14.2
211.13359	1.8
221.06592	3.0
225.11273	2.7
235.08185	10.0
237.11288	3.5
245.19106	12.9
249.14893	1.8
253.09297	2.5
256.50946	1.7
263.07458	1.9
263.20087	4.6
271.17032	3.6
277.21704	100.0
278.21945	7.1
289.18079	86.6
290.18381	4.1
305.08646	2.6
307.19104	80.7
308.19342	3.7
379.12393	5.5
397.13483	83.5
398.13800	4.2
415.14413	17.7
435.16376	1.4
567.49969	1.5
675.35889	3.7
687.32410	4.8
705.32623	2.0
965.54590	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	1025.5687
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	27.6
71.12868	0.9
72.18586	0.8
72.99163	2.7
73.02818	3.9
81.03315	3.0
83.01256	5.0
83.04900	1.2
85.02811	8.7
87.00756	6.8
89.02309	23.2
95.01250	3.0
95.04884	1.8
97.02826	6.2
97.06435	5.0
97.46008	1.1
99.00740	1.8
101.02322	22.6
109.06445	1.0
111.00742	1.1
111.04366	1.1
113.02323	14.0
115.03869	0.9
119.03401	6.6
121.02837	1.5
123.04403	2.8
123.08045	1.6
125.02343	9.3
125.09618	7.0
131.03299	1.5
133.04958	1.3
135.08023	1.4
137.09602	3.5
141.12729	1.4
143.03401	5.2
161.04416	6.0
163.11165	8.1
165.12799	1.9
179.05577	9.2
181.12218	1.5
185.11710	7.6
191.10635	1.4
191.14343	10.3
207.10207	4.2
209.11742	15.6
211.13326	4.4
221.06580	4.5
225.11327	3.2
235.08115	9.0
237.11284	3.5
243.17584	1.1
245.19063	20.1
253.09256	2.3
263.07779	1.1
263.20139	3.7
271.16965	3.2
276.78119	1.0
277.21701	92.8
278.22156	5.2
279.19510	1.1
281.21191	2.5
287.07620	2.6
289.18073	100.0
290.18433	5.5
293.28397	1.0
305.08710	3.5
307.19119	91.8
308.19458	4.5
323.09677	2.3
325.19928	1.1
331.19116	1.6
379.12289	7.1
397.13464	64.5
398.13971	2.8
415.14572	21.5
465.47195	1.1
469.53903	1.0
675.35645	2.1
677.72571	1.1
687.32300	7.1
705.32831	3.7
754.03101	1.0
769.10931	1.0
896.47205	1.4
965.55157	6.5
1028.69153	1.2
1051.77649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
79.81266	0.1
83.01235	0.9
91.01730	0.2
93.03350	0.2
98.19907	0.3
107.01266	2.3
108.02052	0.7
109.02837	1.9
119.01250	0.5
121.02831	1.9
124.01591	0.3
125.02342	0.4
135.00771	0.6
147.00740	0.2
148.01552	0.6
149.02318	0.3
150.18462	0.1
151.00267	10.3
152.00668	0.3
153.01898	0.2
159.04457	0.4
161.02390	0.2
163.00284	2.5
163.03889	0.2
164.01010	0.6
165.05305	0.2
167.04951	0.2
169.01349	0.7
171.04420	0.2
175.03925	0.3
178.99788	5.5
183.04373	0.4
184.00378	0.2
185.06006	0.2
187.03877	0.4
190.99792	0.4
192.00591	0.5
192.71217	0.2
193.01344	0.2
199.03929	0.6
201.01808	0.2
201.05450	0.3
203.03581	0.2
211.03914	1.1
212.04604	0.2
213.01871	0.2
213.05424	0.2
214.02626	0.2
215.03392	0.4
216.04303	0.2
226.02702	0.7
227.03470	2.1
228.04103	0.2
229.05011	0.7
232.39928	0.2
239.03444	0.4
243.02933	5.4
244.03488	0.4
245.04478	1.8
254.02248	1.2
255.02959	17.3
256.03534	0.9
266.02206	0.3
271.02460	31.1
272.02957	2.1
273.03970	1.0
283.02463	2.4
284.03168	0.4
299.01950	1.2
300.02728	64.3
301.03485	45.9
302.03857	2.2
343.04355	0.2
430.08984	0.2
446.08539	0.4
447.09283	100.0
448.09610	5.8
449.10156	0.3
577.15314	0.5
693.08948	0.2
950.27515	0.2
960.84363	0.2
962.22101	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.6407
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01241	1.6
71.11998	1.1
73.02807	0.6
80.02560	0.6
83.01234	0.5
83.04906	2.4
85.02814	0.9
87.00744	1.2
89.02325	1.0
96.95878	0.7
101.02322	1.6
113.02323	1.0
116.92772	0.5
157.94482	0.5
161.04462	1.3
163.11151	1.7
165.12756	1.0
209.11757	71.5
210.12146	2.5
227.12817	11.8
235.08188	8.2
253.09265	9.0
259.20718	0.6
277.21701	100.0
278.22049	6.3
291.19464	0.5
299.20135	91.9
300.20465	6.2
445.20700	1.5
513.30652	1.8
740.22058	0.5
821.34479	0.6
919.74713	0.6
955.93835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1025.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01241	0.7
72.99195	0.7
75.22332	0.5
80.16911	0.6
81.35971	0.5
83.01256	0.9
91.01778	0.6
95.01276	0.6
98.19844	1.4
107.01274	3.0
108.02049	1.2
109.02824	2.3
111.99540	0.5
118.63628	0.6
119.04891	0.7
121.02837	3.2
125.02317	1.9
145.02838	2.7
149.02315	1.1
150.03087	0.6
151.00255	14.3
163.00285	3.3
163.03917	0.8
164.01076	1.1
165.01891	0.6
165.05431	0.8
169.01289	2.4
178.99797	8.2
183.04491	1.0
199.03908	1.1
201.05493	0.9
203.03378	0.6
211.03905	1.8
226.02600	1.8
227.03378	5.4
228.03972	0.7
229.04924	0.9
239.03308	0.6
243.02954	9.9
244.03201	0.9
245.04515	1.8
254.02097	2.4
255.02937	29.4
256.03339	2.6
270.01645	0.9
271.02448	53.0
272.02899	3.7
273.04028	1.3
283.02368	3.4
284.03198	4.3
285.03854	1.1
298.01038	0.9
299.01886	4.3
300.02719	100.0
301.03476	67.2
302.03778	3.7
328.65887	0.7
332.57401	0.6
431.06085	2.6
433.07697	94.9
434.08002	6.5
445.07700	1.1
447.09262	77.3
448.09595	6.1
577.15649	0.9
591.13428	5.5
675.14984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1021.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45007	0.2
71.45355	0.2
74.09458	0.2
75.70927	0.1
76.55395	0.2
79.01756	0.3
81.03329	1.3
83.01250	1.9
83.04930	0.2
89.36546	0.2
93.03337	0.6
95.01245	1.0
95.04879	0.8
97.02827	3.4
105.03348	0.2
107.01267	2.3
108.02094	0.4
109.02825	9.0
110.03226	0.2
111.00796	0.8
117.03349	0.3
121.02837	2.1
122.03622	0.4
123.00764	2.0
123.04405	5.2
124.01548	0.9
125.02329	73.9
126.02660	1.5
127.00227	0.4
133.02808	0.2
135.04425	1.0
136.98697	0.4
137.02336	7.0
138.03041	0.3
139.00188	0.8
139.03893	1.3
140.01060	1.3
141.01810	0.3
145.02835	2.9
146.03664	1.0
147.04382	0.3
149.02336	2.6
150.03137	0.7
151.00270	4.2
151.03911	5.0
153.01752	0.2
157.06514	0.3
159.04442	1.8
160.05194	0.5
161.02344	0.7
161.05997	2.7
161.76300	0.2
162.03119	0.5
163.00290	0.3
163.03957	0.5
164.01019	1.4
165.01830	2.2
166.99773	1.6
167.03418	0.7
168.00528	2.1
169.01326	100.0
170.01683	2.1
173.05957	0.3
174.03154	0.2
175.03906	0.9
175.07564	0.7
177.05576	0.3
178.99805	2.0
179.03401	2.7
183.04466	0.4
185.02261	0.2
185.05956	1.1
187.03917	2.1
188.04732	1.5
192.00627	0.2
193.01352	4.6
199.04042	0.2
199.07687	0.2
201.05501	0.7
202.06300	0.8
203.07060	5.8
204.07423	0.2
205.01363	0.6
205.04967	3.3
209.06082	0.2
211.03903	0.3
212.04703	0.5
217.04962	0.3
217.08708	0.2
221.08109	1.1
225.05562	0.3
227.03477	0.3
227.07056	1.4
229.04996	0.5
230.02162	0.3
230.05768	0.4
231.02895	0.5
243.02928	0.4
243.06534	0.3
245.04375	0.5
245.08147	9.1
246.08517	0.5
247.06079	0.6
253.05016	1.4
254.02356	0.2
255.02908	1.9
256.03665	0.2
257.04633	0.3
259.06033	1.0
271.02499	3.8
271.06088	5.3
271.08881	0.4
272.03226	0.4
272.06500	0.3
273.04132	0.3
275.05545	0.4
285.04144	0.2
287.05627	0.7
288.06271	0.2
289.07156	40.8
290.07504	1.7
299.01938	0.9
300.02707	8.7
301.03491	13.6
302.04025	0.7
303.05035	1.8
331.04568	1.6
352.01474	0.2
397.09329	0.5
433.07611	2.0
433.12943	0.2
440.07556	0.3
441.08221	45.2
442.08560	2.9
447.09268	13.2
448.09558	0.6
493.58810	0.2
557.09210	0.2
579.13574	2.2
580.13867	0.3
756.06958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58274	0.2
73.97064	0.1
79.14203	0.2
83.01247	0.7
93.03341	0.2
97.27744	0.2
107.01277	2.0
108.02051	0.5
109.02848	1.1
121.02845	2.0
123.00787	0.2
125.02316	0.4
125.31826	0.2
134.50011	0.2
148.01614	0.4
149.02332	0.4
151.00272	9.2
153.01822	0.2
159.04362	0.2
163.00290	1.7
163.03838	0.2
164.01019	0.3
169.01384	1.0
175.84229	0.2
178.99789	4.7
183.04453	0.4
187.03926	0.5
190.99792	0.3
193.01346	0.3
199.03879	0.3
201.05515	0.3
203.03389	0.2
205.04881	0.2
211.03941	0.9
213.05527	0.2
215.03575	0.3
217.04921	0.2
221.15680	0.2
226.02623	0.4
227.03421	1.9
228.04045	0.2
229.05009	0.7
239.03380	0.4
243.02975	3.1
244.03479	0.3
245.04503	0.9
254.02081	0.6
255.02957	11.9
256.03500	0.9
257.04434	0.3
271.02460	19.7
272.02939	1.6
273.03998	0.9
283.02451	2.0
284.03314	1.2
285.03989	1.0
299.02039	1.7
300.02731	47.2
301.03497	45.3
302.03854	1.9
327.05042	0.5
343.04669	0.3
431.09720	1.0
445.07721	1.9
447.09302	100.0
448.09653	7.2
448.15979	0.3
473.10712	0.7
591.13531	9.6
592.14087	1.1
770.97308	0.2
1033.82422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01253	10.0
71.01604	0.6
72.25453	0.3
72.99123	0.9
73.02763	1.4
75.72188	0.3
78.95742	0.4
79.95569	0.4
80.96428	0.3
81.03265	0.9
83.01200	0.8
83.04830	0.9
85.02820	8.9
87.00740	2.7
89.02317	8.5
95.01227	0.6
95.04827	0.3
96.95882	7.7
97.02829	3.7
97.06474	2.0
98.95433	0.6
99.00677	0.9
99.04330	0.4
101.02325	7.8
109.06442	0.4
111.04327	0.4
111.08035	2.5
113.02328	4.5
116.92708	0.5
119.03384	2.6
119.08501	0.5
123.08058	0.5
125.02352	3.1
125.09525	1.5
127.11127	1.4
137.09610	2.7
143.03310	1.0
153.12627	0.6
155.10548	0.6
155.14301	0.4
161.04433	1.5
163.11145	0.7
165.12732	1.8
167.14284	0.6
169.12148	1.1
171.10178	24.3
172.10449	0.6
177.12640	0.4
179.05586	3.5
179.10425	0.3
181.12181	1.1
183.13821	2.0
185.11748	0.9
193.12201	0.9
193.15906	0.5
195.13863	0.8
197.09993	0.7
197.11758	12.1
198.12007	0.4
199.13274	1.1
201.11201	1.3
203.10551	0.5
209.11713	1.4
210.11935	0.4
211.13341	11.6
212.13519	0.5
217.07097	0.4
221.06578	1.4
221.11786	2.0
223.13289	0.4
227.12859	1.6
229.14409	7.9
235.08171	2.2
239.12759	1.4
247.20587	1.2
253.09348	0.6
263.07840	0.4
263.20166	0.6
273.18796	0.8
287.07605	0.5
291.19638	13.2
292.19949	0.9
293.21234	1.3
305.08774	1.3
309.20685	43.1
310.21069	2.8
323.09857	0.7
325.20190	0.5
327.21744	100.0
328.22064	6.7
343.21146	2.8
397.13486	24.3
398.13867	1.1
415.14539	19.7
416.15155	0.9
551.54535	0.3
606.79797	0.4
619.42059	4.0
620.42749	0.5
689.34015	0.6
701.99847	0.3
707.34851	10.2
708.35614	1.3
725.35950	6.2
726.37183	1.0
1017.57135	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	1017.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
71.64706	1.1
78.30354	1.0
83.01264	4.0
85.14023	1.1
93.03341	1.6
95.01272	1.3
97.02821	1.8
98.20556	1.3
107.01262	1.5
107.04896	1.2
109.02837	10.4
117.03360	1.2
123.00758	1.8
123.04413	6.8
125.02327	100.0
126.02665	1.7
131.04910	2.9
133.02834	5.0
133.14874	1.1
135.04396	3.8
137.02332	12.4
139.03938	1.4
145.02821	4.3
149.02354	4.0
149.05939	1.9
151.03880	9.3
159.04427	3.9
161.02336	35.1
161.05946	3.8
162.03185	1.7
163.00182	2.0
163.03891	4.4
164.01038	7.0
165.01884	7.6
167.03424	2.3
168.00621	1.3
169.01299	11.7
173.06091	1.5
174.03145	1.3
175.03914	14.7
175.07507	1.1
177.01799	15.0
177.05453	1.9
178.01990	1.1
187.03925	4.1
189.01804	2.1
189.05510	1.3
193.01358	3.0
197.05922	1.2
199.03886	6.6
201.01767	2.8
201.05508	4.5
203.03386	4.7
203.07082	3.6
205.01338	2.2
205.05020	3.7
211.03979	1.6
213.05519	2.1
214.02646	1.6
215.03448	1.7
217.05020	7.6
219.02890	3.8
225.05496	2.1
227.03441	2.4
227.07071	1.3
229.05032	3.7
231.02954	1.4
238.77139	1.3
241.05005	1.4
243.03003	21.5
244.03452	2.2
245.04581	11.5
245.08127	5.1
253.04955	2.1
255.03000	11.8
256.03619	4.1
257.04501	1.7
261.04068	4.3
269.04489	5.3
271.02383	1.9
271.06058	4.8
281.04477	2.3
283.02423	3.2
285.03983	3.9
287.05615	22.3
287.08670	2.6
288.05930	1.9
289.07141	27.1
297.04089	2.1
300.02716	3.5
301.03409	2.3
303.05197	1.3
318.52774	1.3
329.06915	1.3
341.06763	1.6
389.06583	3.9
405.06085	4.0
407.07687	41.6
408.07825	2.6
413.08762	4.6
423.07034	4.2
425.08575	2.5
433.09094	2.4
441.08118	10.2
449.08658	6.4
451.10428	8.2
463.08508	3.7
525.08453	3.5
543.09283	1.8
546.95685	1.2
553.19080	3.7
559.08423	7.7
569.10724	2.5
575.11963	6.6
577.11047	6.4
603.11456	5.7
677.11047	4.4
695.14160	6.1
711.14410	2.6
713.14624	1.8
729.14691	19.9
730.14581	3.2
771.15186	1.6
792.50500	1.6
847.15039	7.3
865.16638	1.9
891.17841	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	1017.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
76.81006	0.9
78.02762	0.9
83.01244	3.3
89.00205	1.0
97.02825	1.6
97.98255	0.9
98.20591	1.7
107.04886	2.8
109.02817	13.0
112.01349	1.3
117.03344	1.3
121.02839	3.3
123.00801	1.3
123.04386	6.4
125.02329	100.0
126.02677	2.3
131.04907	1.4
133.02858	6.9
135.04414	3.0
137.02351	11.9
139.03893	2.1
145.02831	3.1
147.04390	1.8
149.02318	2.9
150.03050	1.1
151.03908	12.4
159.04449	4.5
161.02348	29.6
161.06026	3.0
162.02991	2.9
163.00269	3.2
163.03896	3.0
164.00998	5.4
165.01859	5.8
167.03384	3.4
169.01309	10.9
173.05968	2.6
174.03110	2.4
175.03914	15.4
176.01086	1.3
176.04044	1.1
177.01857	13.8
177.05518	1.9
179.03377	2.5
183.04395	1.4
185.05974	2.2
187.03943	4.7
188.04759	1.5
189.01842	1.9
193.01338	2.1
197.06053	1.4
199.03888	6.9
201.05479	4.3
203.03384	2.6
203.07022	3.4
205.04948	3.0
209.06036	1.1
211.03951	1.4
213.05473	2.1
214.02571	1.1
215.03490	1.4
217.04942	7.6
219.02898	4.0
225.05510	1.6
227.03450	3.1
227.07019	2.5
228.04199	1.2
229.04971	2.8
231.02974	1.2
241.04910	3.0
243.02962	24.3
243.06609	2.3
244.03357	1.2
245.04514	15.8
245.08224	5.2
247.06131	1.2
253.05035	3.1
255.03006	9.4
256.03659	3.3
257.04510	3.4
261.03931	5.9
267.03070	1.3
269.04453	4.9
271.06076	4.1
281.04544	4.0
283.02475	3.7
283.05899	1.4
285.04013	4.8
287.05612	18.7
288.05734	1.0
289.07162	24.9
290.07541	2.6
293.04446	1.6
295.02518	1.0
297.04074	1.5
299.05588	2.0
300.02817	1.1
303.05063	2.1
315.08945	1.0
327.05038	1.5
329.06586	2.7
339.08960	1.6
341.06476	1.3
347.05350	1.6
387.05045	1.2
389.06555	3.3
395.07538	1.3
405.06332	5.0
407.07666	35.6
408.08054	3.4
413.08636	6.2
423.07053	3.7
424.07828	1.0
425.09158	1.4
429.83401	1.1
431.06653	1.1
433.09064	3.1
441.08276	8.7
449.08688	8.6
451.10266	9.9
525.08099	2.7
543.08826	1.1
557.10736	1.4
559.08411	6.1
569.11102	3.0
575.11981	7.7
576.12189	1.1
577.10638	5.7
603.11243	6.8
677.12109	2.8
695.13867	5.4
711.13556	1.4
713.14490	1.7
729.14520	23.7
730.14941	4.0
739.15796	1.7
771.15338	4.5
847.15271	11.3
848.15253	2.0
849.14996	1.4
865.16742	2.9
866.18445	1.5
891.17664	3.0
1017.19458	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01759	0.4
81.03319	1.3
83.01252	3.3
87.72126	0.3
89.03815	0.5
93.03339	1.6
95.01250	1.2
95.04909	0.7
97.02821	1.6
98.69207	0.3
105.03315	0.4
107.01260	0.9
107.04889	1.6
108.02086	0.8
109.02828	10.9
110.03177	0.3
111.00743	0.5
117.03330	1.3
119.04933	0.7
121.02848	2.4
122.03645	0.6
123.00781	1.4
123.04392	6.2
124.01533	0.7
124.04799	0.3
125.02329	100.0
126.02666	2.0
130.04111	0.3
131.04921	1.3
132.02032	0.5
133.02846	6.6
135.00731	0.5
135.04413	3.2
137.02335	12.1
139.03864	1.5
143.04933	0.4
145.02834	3.7
146.03610	0.8
147.04431	1.6
148.01569	0.4
149.02344	4.2
149.05919	0.5
150.03101	1.2
151.00247	0.8
151.03900	10.3
153.01817	0.4
157.02901	0.4
157.06482	0.5
158.03590	0.5
159.04402	4.7
160.01561	0.6
160.05190	0.5
161.02344	30.4
161.05937	2.9
162.03096	2.1
163.00267	3.6
163.03920	3.5
164.01065	6.3
165.01826	5.4
167.03406	2.3
167.04611	0.4
168.00607	0.4
169.01324	10.9
170.32382	0.3
171.04457	0.4
172.05234	0.5
173.02359	0.9
173.06001	1.2
174.03127	1.6
175.03909	16.6
176.01073	1.1
176.04382	0.5
177.01848	13.9
177.05470	1.1
179.03389	2.5
183.04459	1.7
184.04991	0.4
185.02310	0.4
185.06009	1.8
187.03957	3.9
188.04691	1.4
189.01846	2.1
189.05460	1.1
190.02698	0.4
191.03413	1.2
193.01340	2.4
193.04956	0.8
195.04396	0.4
197.06047	0.4
199.03929	5.6
199.07587	0.5
200.04631	0.6
201.01898	1.8
201.05496	3.1
202.02524	0.4
202.06160	0.5
203.03426	3.4
203.07079	3.8
204.00581	0.5
204.03993	0.3
205.01369	1.9
205.04962	3.4
206.02147	0.4
209.05991	1.2
211.04013	1.8
211.07596	0.5
212.04660	1.1
213.05458	1.0
214.02650	0.9
214.06380	0.4
215.03423	1.0
215.07025	0.6
216.04041	0.4
217.01527	0.7
217.05002	8.0
219.02901	5.0
219.06548	0.5
225.05496	2.0
227.03488	3.6
227.07021	2.1
228.04167	1.4
229.01437	0.5
229.04979	2.9
230.05699	0.5
231.03017	1.5
237.05557	0.8
238.06276	0.4
239.03410	0.6
241.05077	1.8
242.02338	0.4
243.02934	21.0
243.06526	1.9
244.03424	1.4
245.04512	14.1
245.08156	7.0
246.04883	1.1
247.05885	0.9
251.03406	0.4
253.05057	2.5
255.02928	9.6
256.03647	4.1
257.04538	2.4
259.06052	1.1
261.03961	4.6
267.02988	1.0
267.06680	0.4
268.03708	0.5
269.04532	5.1
270.05002	0.5
271.02521	1.0
271.06076	5.6
272.03159	0.4
272.06622	0.4
273.03976	1.8
279.02945	0.5
279.06500	0.4
280.03882	0.4
281.04526	3.3
282.01724	1.3
282.04745	0.3
283.02490	2.9
283.05774	0.7
284.03244	1.1
285.04019	4.6
285.07254	0.6
286.04733	0.7
287.05594	25.1
288.02878	0.7
288.06027	1.2
289.07166	27.7
290.07547	1.6
293.04550	1.4
294.04932	0.4
295.02518	1.7
295.05905	0.6
296.03046	0.4
297.04016	1.9
297.07681	1.1
297.14520	0.4
299.05594	1.8
300.02646	1.7
301.03513	1.0
303.05045	2.1
305.04660	0.6
309.03998	0.5
310.04712	0.4
311.05731	0.8
315.08795	0.6
321.07639	0.6
323.05548	0.9
327.05084	1.4
327.08572	0.3
328.05875	0.5
329.06595	1.4
331.08157	0.4
337.07053	0.7
339.08624	1.7
341.06644	2.5
347.05490	0.4
359.05237	0.4
361.07193	0.5
363.04974	0.8
363.08856	0.9
365.06567	0.7
369.09470	0.4
373.03336	0.5
374.04227	0.8
379.08188	0.7
381.09787	1.0
383.07642	1.0
387.05014	0.9
389.06476	3.8
389.10733	0.4
391.08606	0.4
395.07654	1.4
405.06012	4.1
407.07684	43.3
408.07907	4.4
413.08771	6.5
417.06039	0.7
419.07834	0.5
423.07217	3.9
425.08701	1.9
431.07693	0.6
433.09247	3.4
435.06659	0.5
437.09055	0.6
441.08221	10.5
442.08411	0.6
447.07480	0.5
449.08688	7.7
450.09128	0.9
451.10297	10.8
452.10504	0.6
463.08890	1.7
467.09460	0.6
475.10754	0.4
483.09415	0.5
499.10352	0.6
511.64059	0.4
517.11298	0.6
525.08276	4.5
526.08679	0.4
533.11011	1.3
541.11426	0.9
543.09027	1.8
551.09589	0.5
553.16370	2.3
557.10681	1.3
559.08173	7.2
560.09137	1.0
561.10065	0.5
569.10815	4.2
570.10803	0.6
575.11926	6.6
576.12256	1.1
577.12354	7.4
578.12622	0.6
587.11774	1.1
601.09943	0.6
603.11322	7.7
604.11591	0.6
619.12225	0.9
669.14301	0.4
677.11725	3.3
678.12457	0.6
695.13544	5.6
696.13507	0.7
711.13367	1.1
713.14648	2.3
721.13556	1.2
729.14526	21.8
730.14832	3.4
739.15564	2.1
740.15125	0.5
771.15356	1.7
821.17236	0.4
829.14880	0.6
847.15076	7.5
848.15656	1.8
865.17743	2.5
891.17883	2.6
1017.19952	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	1015.5874
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	11.1
72.99167	0.6
73.02829	0.9
78.95775	0.4
79.95635	0.6
81.03332	1.6
83.01257	1.6
83.04897	1.3
84.02031	1.5
85.02813	2.8
87.00742	2.2
89.02316	8.6
92.92713	0.5
94.92374	0.8
95.01259	1.1
95.04885	0.6
96.95892	7.8
96.96867	0.4
97.02820	2.8
97.06459	7.3
99.00759	0.8
99.04373	0.5
101.02318	8.0
107.79346	0.4
109.02850	0.4
109.06459	0.5
111.04457	0.4
111.08018	1.0
113.02330	4.6
116.92711	0.7
119.03391	3.4
123.04368	0.4
123.08050	0.5
125.02325	4.0
125.09609	1.7
127.11164	0.4
131.03346	0.7
135.08005	0.4
137.09584	1.1
137.52853	0.5
143.03378	1.6
161.04492	2.5
163.11159	0.5
165.12753	1.1
167.10716	0.6
171.10167	8.4
175.11139	0.5
177.12669	0.7
179.05550	3.8
179.14307	0.4
181.12195	0.4
183.13821	0.5
185.11749	1.0
191.14482	0.5
193.12262	8.4
195.13802	4.7
197.11758	3.5
197.15431	0.5
205.12268	0.6
205.15868	0.4
209.11794	2.3
211.13290	3.7
220.74521	0.3
221.06590	1.6
221.11717	1.0
223.13315	3.4
225.14902	14.1
226.15173	0.6
227.12834	1.0
234.12331	0.4
235.08191	2.8
236.89238	0.3
239.12642	0.5
243.15968	6.1
245.18945	1.1
249.14929	0.5
253.09128	0.5
253.14427	1.4
256.13223	0.6
263.07727	0.9
263.20132	0.6
275.20108	2.5
277.18039	0.6
287.07724	0.9
289.18030	4.6
289.28067	0.4
290.18338	0.5
291.19611	5.2
292.19931	0.6
293.21210	58.7
294.21521	4.2
305.08582	1.0
305.17474	0.6
305.21140	0.7
307.19150	3.6
309.20663	6.3
310.20831	0.5
323.09927	0.8
323.22311	0.8
325.20187	1.4
327.21735	0.9
341.23285	100.0
342.23651	5.8
379.12381	1.2
383.24417	0.5
397.13470	21.7
398.14090	0.9
415.14545	17.0
416.14853	1.0
463.18869	0.4
617.44153	5.5
618.44226	0.7
646.80457	0.4
673.34753	0.5
691.35303	2.1
721.36652	2.5
722.36346	0.6
739.37750	5.1
740.37823	0.7
903.71930	0.4
997.55011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5874
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	11.1
72.99167	0.6
73.02829	0.9
78.95775	0.4
79.95635	0.6
81.03332	1.6
83.01257	1.6
83.04897	1.3
84.02031	1.5
85.02813	2.8
87.00742	2.2
89.02316	8.6
92.92713	0.5
94.92374	0.8
95.01259	1.1
95.04885	0.6
96.95892	7.8
96.96867	0.4
97.02820	2.8
97.06459	7.3
99.00759	0.8
99.04373	0.5
101.02318	8.0
107.79346	0.4
109.02850	0.4
109.06459	0.5
111.04457	0.4
111.08018	1.0
113.02330	4.6
116.92711	0.7
119.03391	3.4
123.04368	0.4
123.08050	0.5
125.02325	4.0
125.09609	1.7
127.11164	0.4
131.03346	0.7
135.08005	0.4
137.09584	1.1
137.52853	0.5
143.03378	1.6
161.04492	2.5
163.11159	0.5
165.12753	1.1
167.10716	0.6
171.10167	8.4
175.11139	0.5
177.12669	0.7
179.05550	3.8
179.14307	0.4
181.12195	0.4
183.13821	0.5
185.11749	1.0
191.14482	0.5
193.12262	8.4
195.13802	4.7
197.11758	3.5
197.15431	0.5
205.12268	0.6
205.15868	0.4
209.11794	2.3
211.13290	3.7
220.74521	0.3
221.06590	1.6
221.11717	1.0
223.13315	3.4
225.14902	14.1
226.15173	0.6
227.12834	1.0
234.12331	0.4
235.08191	2.8
236.89238	0.3
239.12642	0.5
243.15968	6.1
245.18945	1.1
249.14929	0.5
253.09128	0.5
253.14427	1.4
256.13223	0.6
263.07727	0.9
263.20132	0.6
275.20108	2.5
277.18039	0.6
287.07724	0.9
289.18030	4.6
289.28067	0.4
290.18338	0.5
291.19611	5.2
292.19931	0.6
293.21210	58.7
294.21521	4.2
305.08582	1.0
305.17474	0.6
305.21140	0.7
307.19150	3.6
309.20663	6.3
310.20831	0.5
323.09927	0.8
323.22311	0.8
325.20187	1.4
327.21735	0.9
341.23285	100.0
342.23651	5.8
379.12381	1.2
383.24417	0.5
397.13470	21.7
398.14090	0.9
415.14545	17.0
416.14853	1.0
463.18869	0.4
617.44153	5.5
618.44226	0.7
646.80457	0.4
673.34753	0.5
691.35303	2.1
721.36652	2.5
722.36346	0.6
739.37750	5.1
740.37823	0.7
903.71930	0.4
997.55011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5488
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01254	20.3
71.04916	1.2
71.57999	1.0
72.99168	1.9
73.02814	2.7
73.87184	0.8
78.95786	2.2
79.95611	1.4
80.02532	0.9
80.91561	0.9
81.03333	2.3
81.86636	0.8
83.01252	3.6
83.04897	2.5
85.02821	8.6
87.00748	4.5
87.04398	0.8
89.02314	15.0
89.02826	1.3
93.03353	1.4
95.01268	1.3
95.04887	2.3
96.95888	38.8
96.96866	2.2
97.02821	6.9
97.06463	4.6
98.95477	1.2
99.00723	1.5
101.02322	14.2
106.55420	0.8
107.04929	1.1
109.06469	7.0
111.04412	1.3
111.08044	4.4
113.02322	7.4
116.92712	0.8
119.03388	4.4
121.02884	0.8
121.06447	0.8
123.04415	1.5
123.08060	1.7
125.02341	6.2
125.09623	3.9
127.07559	1.7
127.11212	0.9
137.09636	2.5
143.03381	2.9
151.11211	0.8
153.09102	1.3
155.10704	1.1
161.04488	3.6
163.11189	2.8
165.12766	2.5
167.10677	0.9
169.12263	2.6
171.10187	19.6
177.12775	1.0
179.05496	4.4
179.10631	0.8
181.12294	2.6
183.13792	3.7
185.11745	3.9
191.10657	1.0
191.14346	2.9
193.12186	1.1
193.15813	0.8
197.00957	0.8
197.11763	28.1
199.13321	1.8
201.11252	1.2
203.12386	0.8
207.10182	1.5
209.11771	12.0
211.13327	22.8
212.13596	1.3
217.07175	0.8
221.06612	3.0
221.11745	2.0
225.11298	1.4
227.12892	3.7
229.14378	10.1
235.08209	4.9
235.13342	1.7
237.11415	1.3
239.12898	2.6
245.19073	4.8
246.52979	0.8
247.20638	1.6
253.09399	1.5
263.20151	1.9
273.18408	1.1
281.21045	0.9
287.07718	1.6
289.18100	21.9
291.16705	0.6
291.19638	16.3
292.20093	1.1
293.21277	2.9
305.08911	0.8
305.36090	0.7
307.19153	27.7
308.19370	1.8
309.20697	47.0
310.21027	3.3
323.09833	1.4
325.20172	44.0
326.20572	3.3
327.21747	100.0
328.21997	5.2
379.12302	1.8
397.13501	42.4
398.13882	2.0
415.14563	23.4
416.14786	2.2
607.25800	1.5
617.40375	2.8
687.32715	1.2
689.34741	1.4
705.33429	5.4
706.33667	1.3
707.35498	5.7
708.35333	1.5
723.34808	2.1
725.36176	4.0
917.47540	1.4
997.52985	2.3
1015.55481	5.4
1016.55304	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	1015.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01251	40.0
72.99186	3.1
73.02823	7.2
75.00744	1.7
81.03332	4.8
83.01247	7.1
83.04883	2.6
84.02036	1.6
85.02821	11.1
86.57848	1.1
87.00752	9.2
89.02318	33.5
93.03321	1.7
94.92422	1.4
95.01266	3.2
95.04928	2.1
96.95887	14.9
97.02826	9.8
97.06468	6.7
99.00770	3.3
99.92455	9.2
101.02317	29.4
107.04927	1.4
109.02819	1.8
109.06473	1.8
111.08031	10.9
113.02322	18.5
116.92744	67.8
116.97130	6.3
117.01787	2.7
117.92762	2.7
119.03387	11.2
123.04391	5.2
123.08024	2.8
125.02340	14.1
125.09608	11.9
135.08073	1.3
137.02298	1.2
137.09615	4.8
141.01825	2.3
143.03407	5.9
148.72035	1.1
151.11240	2.3
153.12796	1.2
157.51064	1.1
161.02339	1.3
161.04486	6.9
163.11252	8.2
163.12415	1.6
165.12752	6.0
167.03462	1.4
167.10635	1.4
169.01286	2.5
169.12181	6.3
171.10178	10.5
177.12819	1.3
179.05551	9.7
179.10710	1.3
181.12241	4.1
183.13835	1.5
185.11758	12.4
191.10742	1.5
191.14371	8.4
193.12204	2.0
197.11763	58.8
198.12172	2.1
199.13322	3.4
207.10202	3.9
209.11766	22.7
211.13306	11.4
221.06639	4.5
221.11902	1.1
223.13362	2.8
225.11279	3.1
225.14780	2.3
227.12817	12.2
235.08165	8.6
237.11324	3.7
239.52730	1.1
245.19054	16.4
247.16927	1.5
247.20741	2.9
253.09135	1.7
263.20145	9.0
265.18149	2.0
271.17105	1.5
273.18481	2.2
281.21155	1.7
287.07779	2.1
289.07166	1.5
289.18082	74.9
290.18536	5.5
291.19672	44.8
292.19998	3.6
293.21228	13.3
300.43210	1.2
305.08807	2.7
306.07678	1.9
307.19147	57.8
308.19403	3.6
309.20697	100.0
310.21005	8.3
325.20245	3.0
327.21664	1.9
341.23315	16.6
342.23560	2.3
359.82129	1.1
379.12408	2.3
397.13513	45.5
398.13754	2.2
415.14536	26.8
416.14651	1.7
607.25909	2.5
662.94598	1.3
705.33228	1.5
863.07227	1.2
995.52942	1.3
1015.52563	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	1013.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58413	0.5
71.58760	0.6
83.01270	0.7
93.03391	0.9
95.01347	0.6
97.07783	0.4
100.76649	0.5
107.01264	2.9
108.02110	1.3
109.02837	3.1
111.49574	0.5
119.04977	0.5
121.02845	3.3
121.86935	0.4
125.02409	1.3
135.00792	0.7
137.02406	1.1
148.01654	1.3
151.00275	13.9
161.02512	0.5
163.00301	3.0
163.03860	0.5
164.01140	0.8
165.01839	17.7
169.01402	1.8
178.24826	0.5
178.99782	6.4
180.04234	0.5
185.06194	0.5
190.99667	0.4
193.01450	0.6
199.03873	0.6
201.05486	0.5
211.03957	1.3
215.03574	0.8
216.04317	0.7
226.02721	1.3
227.03462	3.0
229.04907	0.9
243.02939	8.4
244.03375	0.5
245.04543	1.9
254.02203	2.0
255.02957	28.9
256.03491	1.4
271.02472	57.2
271.06024	7.5
272.02939	3.6
273.04156	0.7
283.02423	1.4
291.17511	0.5
299.01959	3.4
300.02734	100.0
301.03485	61.6
302.03854	2.4
432.06723	0.6
433.07571	99.6
434.07779	5.5
447.09290	43.1
448.09445	2.0
643.23370	0.8
676.64038	0.5
862.90045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
70.86238	0.3
70.86570	0.3
71.01245	1.7
71.04881	0.2
72.99168	0.3
73.02823	0.2
80.70989	0.1
83.01257	1.2
85.02804	0.5
89.02317	1.1
93.03298	0.3
95.01237	0.2
101.02323	1.0
107.00542	0.2
107.01268	4.1
108.02059	0.5
109.02848	1.0
113.02310	0.6
119.03368	0.4
121.02831	3.8
123.08015	0.2
124.01548	0.2
125.02295	0.3
132.61133	0.2
135.00761	0.3
139.03911	0.2
148.01561	0.3
149.02309	0.4
151.00262	19.1
152.00610	0.4
154.01399	0.2
159.04369	0.2
161.02321	0.2
163.00281	2.0
163.03891	0.3
163.11165	0.3
164.00986	0.3
165.01813	0.2
169.01318	1.3
171.04454	0.3
175.03888	0.2
178.99773	8.9
179.14285	0.5
180.00122	0.2
183.04405	0.2
187.03859	0.4
192.00554	0.4
193.01210	0.4
199.03787	0.3
201.05487	0.5
203.03441	0.2
211.03917	0.9
215.03418	0.3
216.04295	0.2
223.13321	2.5
226.02690	0.3
227.03426	1.4
228.04048	0.2
229.05035	0.9
231.03018	0.2
239.03329	0.3
240.04201	0.2
241.14488	0.3
243.02960	3.2
244.03525	0.4
245.04523	1.3
254.02252	1.1
254.49232	0.2
255.02940	11.3
256.03369	0.6
257.04559	0.4
266.02185	0.2
271.02451	22.1
272.02948	1.7
273.03928	1.5
283.02524	1.4
283.05383	0.2
297.04010	0.2
299.01959	2.2
300.02719	54.0
301.03485	65.6
302.03839	2.7
343.04352	0.3
403.19690	13.4
404.20016	0.8
447.09268	100.0
448.09628	6.2
448.16049	0.3
462.08511	0.2
463.08759	6.7
464.08963	0.3
514.30096	0.2
548.25812	0.2
609.14532	19.0
610.14954	1.7
625.13916	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01240	0.8
71.56716	1.0
78.95782	0.7
81.03323	3.7
81.69627	0.7
83.01258	6.2
85.02803	0.9
87.00726	0.6
88.98671	0.7
89.02331	0.9
89.49628	0.5
91.95763	0.5
93.03320	3.3
95.01260	1.7
95.04912	4.4
96.95895	1.2
97.02829	9.7
101.02343	0.9
103.20351	0.5
107.04926	1.0
108.02065	1.4
109.02834	27.3
111.00764	1.1
111.04404	0.7
117.03336	0.6
121.02856	5.9
122.03602	1.1
123.00793	0.8
123.04402	18.3
125.02337	23.9
125.09616	0.8
133.02829	1.5
135.04401	4.1
137.02341	22.5
138.03078	0.6
139.03902	5.6
145.02826	1.7
146.03560	3.0
147.04379	2.5
149.02338	8.1
149.03421	1.0
149.06018	0.8
150.03156	1.7
151.03900	11.1
157.06551	0.8
159.04420	6.6
160.05209	3.0
161.02345	5.7
161.05981	12.5
162.03166	3.5
163.00287	2.3
163.03929	2.1
164.01056	7.3
165.01874	7.9
165.05518	1.1
166.02692	0.7
167.03368	2.7
171.10146	0.8
173.05974	2.2
174.03128	1.1
175.03957	4.7
175.07552	4.4
176.01074	1.2
177.01837	4.2
177.05510	2.0
179.03436	8.8
184.47304	0.6
185.05995	2.4
187.03947	8.6
188.04712	7.2
189.05193	0.8
199.07579	1.0
201.05447	1.5
201.58525	0.6
202.06296	2.8
203.03555	0.8
203.07060	23.6
204.07475	1.3
205.04984	15.9
206.05415	0.7
207.10001	0.7
212.04718	1.1
217.05051	1.1
217.08690	0.9
221.08107	4.5
223.13322	3.2
227.07101	3.8
229.05060	0.8
230.05750	1.3
231.02966	1.2
245.08154	28.8
247.06085	2.3
253.09209	1.7
265.14630	1.1
271.06110	1.2
271.13159	0.7
277.21606	3.0
289.07172	100.0
290.07501	5.1
291.12250	0.9
291.19720	1.7
293.21216	2.5
299.13019	0.9
309.20676	1.7
323.22504	0.8
334.35843	0.6
461.77878	0.7
487.67389	0.6
805.43524	1.5
857.47656	0.7
859.44855	5.2
899.46588	0.9
967.47369	2.3
968.46027	0.9
993.48242	5.7
994.48969	0.7
1011.49573	83.6
1012.49689	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	1011.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01231	0.2
93.03336	0.3
94.46230	0.1
98.22968	0.2
107.01262	0.5
109.02853	0.2
112.33752	0.2
117.03349	0.2
121.02784	0.3
125.02301	0.5
132.02020	0.2
132.79546	0.2
147.04402	0.2
149.02348	0.2
151.00270	1.9
153.01825	0.3
159.04347	0.2
161.02286	0.2
163.00291	0.7
163.73955	0.2
164.01004	0.2
169.01347	0.5
174.03133	0.3
175.03922	0.2
178.99792	0.5
183.04420	0.7
185.06010	0.4
187.03905	0.4
193.65399	0.2
211.03903	0.9
212.04590	0.2
213.05469	0.3
226.02640	0.2
227.03439	31.1
228.03821	1.8
229.04991	1.1
230.02669	0.3
233.08379	0.2
239.03293	0.3
240.04193	0.2
241.01315	0.2
243.02875	0.5
255.02960	49.4
256.03580	5.7
257.04367	0.7
270.01599	0.3
271.02432	1.5
272.02719	0.3
283.02481	13.7
284.03244	52.0
285.03946	14.8
286.04379	0.8
300.02756	2.5
301.03320	1.4
327.05011	1.2
416.07446	2.3
417.08371	1.0
433.07715	1.3
434.07935	0.8
447.09296	100.0
448.09680	8.5
563.14044	13.9
564.14294	1.5
577.11884	0.3
832.85120	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01255	1.5
72.99164	1.6
81.03322	3.1
83.01230	7.6
87.05981	1.1
93.03302	3.5
95.01259	2.9
95.04898	5.0
96.95890	4.0
97.02814	9.7
98.19789	3.4
108.02043	2.6
109.02138	1.9
109.02837	26.2
121.02855	5.7
123.04401	22.9
125.02329	22.5
133.02802	1.8
135.04387	2.3
137.02335	25.3
138.03110	1.4
139.03893	7.3
141.01656	1.4
145.02834	2.1
146.03595	2.3
147.04320	1.4
149.02359	9.7
150.03104	2.5
151.03909	11.1
158.03592	1.3
159.04398	6.9
160.05168	3.6
161.02338	5.1
161.05978	11.6
162.03143	3.4
163.00304	2.2
163.03909	2.0
163.96407	1.3
164.00992	5.9
165.01810	7.8
167.03432	3.5
173.05995	1.2
174.03120	2.1
175.03905	4.0
175.07619	2.4
177.01837	3.2
177.05417	1.6
179.03406	10.2
185.06042	2.0
187.03906	9.3
188.04709	7.8
195.13751	1.3
197.11755	1.2
199.07504	1.6
201.05426	1.2
202.06268	3.5
203.07047	24.0
205.01205	1.3
205.04994	15.3
212.04671	1.7
221.08098	4.8
223.13324	2.0
227.07074	3.8
230.05881	1.5
231.02911	1.3
245.08150	27.1
247.06052	2.0
253.09361	1.3
277.21701	6.2
289.07169	100.0
290.07486	2.5
291.19638	2.0
293.21234	6.7
303.05093	1.2
309.20691	3.9
358.63208	1.2
517.11041	1.2
805.43726	2.3
857.47052	2.6
859.44745	4.0
967.47192	2.2
993.48059	7.2
1011.49536	91.2
1012.49927	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	1011.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57839	1.3
72.99181	3.8
81.03339	1.3
83.01262	4.3
93.03341	2.7
95.04878	1.2
97.02826	1.2
98.39507	0.9
100.05630	1.0
101.46294	0.9
107.04909	2.5
109.02831	9.0
115.00307	1.3
117.03362	5.0
119.04884	2.0
121.02833	3.2
122.03629	1.2
123.00759	1.1
123.04418	4.5
124.01554	1.1
125.02327	100.0
126.02654	2.0
131.04956	1.7
133.02820	6.3
135.04393	3.2
137.02316	12.7
145.02841	29.9
146.03127	4.5
149.02344	4.1
150.03084	1.8
151.03903	9.5
159.04370	5.1
160.01602	1.2
161.02344	32.8
161.06026	2.2
162.03091	1.9
163.00291	3.2
163.03856	4.6
164.01030	5.2
165.01852	6.3
165.05522	1.0
167.03378	1.2
173.06015	1.8
175.02470	1.9
175.03900	15.4
177.01823	14.0
177.05519	1.2
179.03410	3.0
183.04510	1.4
185.05977	1.4
187.03929	3.5
188.04582	1.7
189.01874	1.6
190.02541	1.3
193.04977	2.7
199.03934	4.4
201.01863	1.2
201.05435	2.5
203.03394	2.8
203.07077	2.9
205.01376	1.7
205.05020	2.3
211.03868	2.3
213.05432	1.7
215.03391	1.0
217.04945	5.0
219.02905	4.2
225.05460	2.1
227.03458	3.2
227.07069	1.2
228.04248	1.3
229.04973	2.8
231.02914	1.2
231.06509	1.0
243.02939	16.5
243.06590	1.4
245.04485	11.8
245.08156	3.1
247.06010	1.1
251.07060	1.0
253.05042	1.5
255.02882	9.1
255.05042	1.3
256.03668	3.0
257.04645	2.9
261.03970	5.8
261.73428	1.0
267.03049	1.0
269.04568	6.5
271.06137	4.2
273.04007	1.1
281.04535	2.8
283.02560	1.9
284.03271	1.3
285.04004	3.6
287.05615	25.3
288.05750	1.7
289.07132	19.2
293.04568	1.0
297.04086	2.3
299.05478	3.5
311.09305	1.2
319.05746	1.3
321.07486	1.6
339.08749	2.2
341.06750	1.2
381.09824	2.7
389.06613	4.1
401.08707	15.8
402.08951	5.4
403.09177	2.4
405.06100	4.3
407.07651	35.7
408.08041	2.1
413.08679	6.7
423.07114	4.6
425.08807	2.7
433.09277	2.8
435.10699	2.9
449.08746	6.0
451.09885	7.7
525.08386	2.2
541.86121	1.0
543.09302	1.9
553.11438	4.8
559.12579	4.0
569.10699	5.1
571.12445	7.4
575.11603	6.2
577.13538	5.9
587.11670	1.1
597.13892	4.1
613.14069	1.3
677.12683	2.3
689.12909	3.2
695.14172	6.3
715.13971	1.6
723.17212	6.4
730.90759	1.2
733.15161	1.4
841.17401	3.8
859.18488	1.5
885.20660	1.3
994.24628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
71.58231	0.6
77.93119	0.3
85.28172	0.3
85.77288	0.3
93.03334	0.7
95.01230	0.3
95.80415	0.3
107.01250	0.9
117.03358	0.7
124.78635	0.3
125.02311	0.6
135.00772	0.4
143.04865	0.3
145.02879	0.4
151.00284	2.8
153.01791	0.5
159.04401	0.5
162.69586	0.3
163.00264	1.3
163.03873	0.4
164.01099	0.6
165.01791	0.3
167.04901	0.5
169.01318	1.0
169.06522	0.5
171.04466	0.5
178.99838	0.4
182.03535	0.3
183.04399	1.7
185.06023	0.8
187.03967	1.2
189.05429	0.4
199.03996	0.5
211.03955	2.9
213.01810	0.3
213.05409	0.9
215.03242	0.4
226.02719	0.4
227.03441	26.0
228.03784	1.7
229.05005	4.1
239.03375	0.9
240.04321	0.5
241.05006	1.2
243.02917	0.4
255.02954	80.6
256.03531	6.0
257.04517	2.2
269.04309	0.4
283.02463	83.5
284.03217	55.8
285.04007	51.3
286.04370	2.7
299.05438	0.4
327.05112	1.0
334.23273	0.3
428.07468	13.9
429.08066	5.1
430.08987	0.4
431.09808	73.2
432.04330	0.2
432.10144	4.6
447.09274	0.5
574.02930	0.3
575.14026	100.0
576.14282	8.0
662.58167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03329	0.8
83.01274	2.7
86.61263	0.3
89.03842	1.0
93.03337	1.1
95.04896	0.4
95.64782	0.3
97.02840	1.2
107.01295	0.4
107.04920	2.3
108.02076	0.6
109.02837	8.1
111.00739	0.5
115.05420	0.4
117.03334	1.8
118.23277	0.3
119.04918	1.3
120.01989	0.4
121.02832	1.8
123.04413	4.5
125.02337	100.0
126.02672	1.6
131.04932	1.2
132.02058	0.6
133.02852	5.9
135.04410	2.3
137.02341	9.6
139.03909	1.1
143.04933	0.6
145.02852	5.3
146.03609	0.5
147.04451	1.3
149.02351	2.7
149.05959	0.6
150.03111	0.5
151.03909	8.8
155.04965	0.5
157.02841	0.3
157.06511	0.4
158.03680	0.5
159.04404	4.3
160.01553	0.5
161.02351	32.4
161.05946	2.0
162.03134	2.1
163.00278	2.7
163.03926	3.3
164.01051	5.4
165.01843	6.2
165.05463	0.5
167.03378	1.3
167.04744	0.3
173.02332	0.7
173.06024	1.3
174.03133	1.1
175.03925	15.8
176.01123	0.5
176.04298	0.8
177.01857	13.0
177.05467	1.3
178.02309	0.4
179.03410	1.4
180.14857	0.4
183.04425	1.2
185.02396	0.5
185.05998	1.3
187.03944	3.7
188.04639	1.1
189.01793	1.9
189.05498	0.8
190.02629	0.7
191.03432	0.7
193.05026	0.9
195.02849	0.4
197.06009	0.8
199.03940	5.4
200.04521	0.5
201.01834	1.6
201.05551	2.8
202.99939	0.4
203.03462	2.7
203.07050	2.6
205.01344	1.4
205.05017	2.7
209.06036	0.6
211.03975	1.1
212.04738	0.5
213.01808	0.4
213.05449	1.1
214.02612	0.6
215.03481	1.4
215.07132	0.6
217.01570	0.5
217.04997	7.3
219.02914	4.4
219.06589	0.9
221.08012	0.4
224.04642	0.4
225.05490	1.8
226.06184	0.3
227.03496	2.3
227.07108	1.5
228.04192	0.9
229.04991	2.7
231.02962	1.3
235.04083	0.5
237.05438	0.6
239.07161	0.4
241.05005	1.1
242.02092	0.5
243.02950	22.0
243.06688	1.3
244.03474	0.8
245.04532	12.3
245.08174	3.8
246.05037	0.5
249.05453	0.5
253.05023	1.6
253.08722	0.8
254.05804	0.3
255.02968	6.2
255.06783	0.5
256.03638	2.5
257.04501	2.1
261.04050	5.9
267.03049	0.7
269.04538	3.9
270.05084	0.5
271.02936	0.6
271.06091	4.2
273.04160	2.0
279.06815	0.6
281.04562	2.7
282.01743	0.9
283.02496	2.1
283.05771	0.6
284.03131	0.7
285.04080	3.1
285.07446	0.6
286.04559	0.5
287.05609	28.5
288.02887	0.5
288.06018	1.3
289.07172	16.3
290.07523	0.5
293.04688	0.7
295.02502	0.9
295.06027	0.4
297.04092	1.2
297.07504	0.8
299.05505	3.0
311.05542	0.8
314.04486	0.4
315.05225	0.7
315.08688	0.5
321.07617	0.8
323.05649	0.5
327.05057	1.0
327.08728	0.4
329.06860	1.0
335.05270	0.4
337.07062	0.7
339.08719	1.6
341.06601	1.6
347.05551	0.7
363.05103	1.0
365.06711	0.6
369.09766	0.5
379.08170	0.7
381.05826	0.8
381.09906	0.9
383.07669	0.7
387.05078	1.0
389.06662	1.5
391.04605	1.0
395.07849	0.9
405.06088	4.7
405.10858	0.4
407.07709	25.1
408.08002	1.4
413.08755	7.4
417.06079	0.4
423.07117	4.1
425.08969	2.7
433.09351	3.1
435.10947	1.3
437.08597	0.4
447.07449	0.4
449.08792	6.8
450.09103	0.5
451.10364	5.4
452.07544	0.4
461.11111	1.2
525.08301	1.6
533.10663	0.8
543.09418	1.4
553.11353	2.5
557.11157	0.7
559.12183	2.9
561.10748	0.5
569.10919	2.2
571.12451	7.4
572.12769	0.9
575.11823	5.8
577.13373	5.9
578.14606	0.4
587.11731	1.3
597.14050	2.8
651.14917	0.6
671.12207	0.7
677.13257	1.3
689.12622	2.6
695.14246	4.5
707.14655	0.7
713.14966	1.7
715.14429	0.7
721.15649	0.7
723.17084	6.2
733.15582	2.1
739.16333	1.6
762.16272	0.4
823.15717	0.5
841.17981	5.6
842.17957	0.6
859.18604	1.5
865.19995	1.3
885.20166	1.4
1011.23889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
70.31691	0.2
71.01233	0.2
79.01823	0.3
81.03329	1.1
83.01262	1.3
93.03342	0.5
95.01250	0.7
95.04894	0.7
96.95851	0.2
97.02826	3.0
97.64406	0.2
107.01252	1.0
107.04910	0.3
108.02079	0.2
109.02833	7.7
111.00763	0.9
121.02789	1.3
123.00771	1.8
123.04386	3.8
124.01572	0.9
125.02331	67.4
126.02671	1.1
135.04417	1.0
136.98682	0.3
137.02338	6.6
139.00255	0.5
139.03909	0.9
140.01050	0.9
144.02765	0.2
145.02844	2.3
146.03499	0.5
149.02350	2.2
150.03116	0.8
151.00323	0.3
151.03905	4.7
157.06516	0.2
159.04419	1.9
160.05199	0.5
161.02316	0.7
161.05983	2.4
162.03133	0.5
163.03938	0.4
164.01047	1.3
165.01831	2.3
166.99751	1.6
167.03395	0.7
168.00603	1.2
169.01326	100.0
170.01685	2.1
173.05946	0.4
175.03889	0.7
175.07629	0.7
177.01772	0.2
179.03386	2.7
185.05988	1.1
187.03915	2.0
188.04683	1.1
191.81560	0.2
193.01343	4.5
199.07574	0.3
201.05484	0.6
202.06223	0.5
203.03374	0.3
203.07053	5.2
204.07272	0.3
205.01328	0.4
205.04987	3.2
211.04001	0.3
212.04677	0.3
217.05077	0.2
217.08652	0.3
221.08110	1.0
227.06970	1.1
229.04926	0.2
231.02942	0.4
245.04419	0.4
245.08145	7.5
245.10686	0.4
247.06001	0.7
253.04945	1.2
255.02829	0.3
259.06100	1.0
271.06113	4.9
272.06430	0.4
275.05527	0.2
283.02438	0.8
287.05606	0.3
289.07162	39.5
290.07492	1.7
303.05017	1.8
331.04535	1.8
389.17865	0.2
397.09155	0.7
441.08218	50.6
442.08636	3.2
541.19281	0.4
563.13849	0.5
673.71313	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.569
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80391	0.4
71.01249	12.6
71.04881	0.5
72.52932	0.4
72.99173	1.0
73.02819	1.2
78.95763	0.6
81.03356	0.6
83.01235	1.2
83.04915	0.6
85.02819	7.3
87.00744	3.0
87.04366	0.4
89.02312	9.3
95.01262	1.5
95.04897	0.6
96.95887	8.9
97.02839	1.8
97.06438	2.5
98.20587	0.6
98.95445	1.9
99.00748	0.9
101.02309	9.4
111.04416	0.4
111.08002	0.5
113.02322	4.1
116.92720	0.8
119.03375	3.3
121.99889	0.5
125.02334	3.1
125.09593	1.1
127.11227	1.7
131.03368	0.7
137.09601	1.5
143.03397	1.8
151.09148	0.3
155.10681	1.3
155.14265	0.6
161.04427	2.0
165.12726	0.7
167.10712	0.5
167.14366	0.7
171.10178	16.1
177.12769	1.0
179.05510	3.5
179.14375	0.5
181.12279	0.4
183.13846	2.9
185.11748	1.2
192.27896	0.3
193.12321	1.0
195.13831	5.0
197.11760	0.8
201.11279	0.8
201.32735	0.3
203.10728	0.5
209.11774	1.8
211.13315	14.9
221.06598	1.1
221.11720	2.3
223.13353	3.8
228.13518	0.5
229.14395	10.4
231.20865	0.4
233.30550	0.4
235.08223	3.1
239.12730	2.0
240.45493	0.3
245.35405	0.4
247.20657	0.8
253.09222	0.6
256.13202	0.6
265.21674	0.5
275.20117	3.6
287.07776	0.4
291.19617	5.1
292.20236	0.5
293.21213	50.1
294.21509	2.0
305.08768	1.1
307.18994	0.6
309.20688	8.6
310.21265	0.6
323.10043	0.9
327.21735	100.0
328.22092	4.7
397.13483	26.7
398.13818	1.6
413.33823	0.4
415.14551	21.0
416.14709	1.0
545.29651	0.7
555.01300	0.5
603.42706	3.9
669.58362	0.4
691.35553	4.3
707.34943	7.4
708.35419	0.8
725.35913	5.4
726.36285	0.5
804.85449	0.5
974.81750	0.5
1001.56293	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	1.6
69.07073	0.5
69.65547	1.3
71.05004	0.2
73.02913	2.1
79.05494	1.9
81.03423	1.0
81.07057	2.1
83.04949	0.2
85.02898	3.4
87.04466	0.3
91.03946	1.6
91.05470	2.2
93.07047	2.1
95.04971	0.6
95.08595	1.2
97.02884	3.1
99.04472	0.8
101.02366	0.9
105.07016	1.2
107.08575	1.2
109.02887	0.5
109.10165	0.6
115.03909	0.4
117.07044	0.6
119.08607	1.1
121.10163	0.8
127.03926	1.2
129.05498	0.3
129.07010	0.3
131.08585	0.8
133.10110	1.4
135.11732	0.6
139.74245	0.2
143.08562	0.3
145.04926	0.2
145.10091	0.3
147.11649	0.5
149.13234	0.3
157.04851	0.2
157.10182	0.4
159.11693	0.3
161.13211	0.4
183.11670	0.2
185.04189	1.0
199.14813	0.2
201.03757	0.8
203.05222	1.0
219.80743	0.2
243.08362	1.7
243.10269	0.2
259.07874	0.5
259.20621	0.4
277.56335	0.2
301.08792	0.9
301.25226	0.2
310.03613	0.2
311.11542	0.2
315.10663	0.8
317.20810	0.7
319.10175	0.3
327.10446	0.2
329.08566	0.5
333.24326	0.2
347.09488	3.2
355.13678	0.3
362.04648	0.3
363.08957	1.6
365.10553	1.0
373.23569	0.4
405.13629	6.3
436.72873	0.2
463.14285	1.0
465.20798	1.1
471.49756	0.2
475.14386	0.3
477.15915	1.0
489.16061	0.3
495.20801	0.3
517.19379	0.4
519.19586	0.3
521.02899	0.3
525.23248	0.4
535.28766	5.8
536.29016	0.3
545.21820	0.4
547.23480	0.3
559.24005	0.7
623.28271	0.3
627.26593	0.7
657.26538	0.2
687.28754	1.0
691.40027	0.3
697.34027	8.6
698.34064	0.4
769.35968	1.2
777.82678	0.2
783.37811	0.6
789.64319	0.3
811.41248	0.4
829.50549	0.7
839.43372	0.3
853.45306	0.3
857.24432	0.2
874.54364	0.2
991.55957	100.0
992.56262	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	989.544
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	2.3
69.07078	1.8
71.04794	0.7
71.05108	1.0
73.02924	2.7
79.05500	2.2
81.03426	1.3
81.07059	3.0
85.02912	3.5
91.03971	1.8
91.05494	1.2
93.07056	1.7
95.04942	0.6
95.08622	1.2
97.02884	3.6
99.04455	0.6
101.02393	1.3
105.07042	0.6
107.08598	0.7
108.92010	0.6
109.02917	0.9
109.10186	1.1
119.08595	0.6
121.10195	0.6
133.10245	0.8
138.48055	0.6
141.20711	0.5
172.80106	0.6
203.05380	0.7
223.13449	0.9
243.08588	1.2
265.46024	0.6
331.18875	1.1
335.25864	0.8
347.09717	2.1
363.09146	0.7
365.10971	0.7
405.13687	4.9
519.29321	3.3
549.26398	3.2
678.52759	0.7
681.34912	3.0
711.32190	3.8
787.29474	0.6
815.58533	0.7
827.48053	0.8
872.19183	0.7
989.54449	100.0
990.55084	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	991.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	2.3
69.07060	0.6
69.31537	0.3
71.01347	0.4
73.02908	2.7
79.05496	1.9
81.03423	1.0
81.07050	3.1
85.02907	4.2
85.03371	0.5
89.47081	0.4
91.03954	2.8
91.05492	1.0
93.07034	2.4
93.53593	0.4
95.04971	0.7
95.08621	1.6
97.02891	4.0
97.10184	0.5
99.04440	0.4
101.02384	1.3
105.07082	1.1
107.08610	0.9
109.02882	0.6
109.10147	0.6
112.77959	0.4
115.03999	0.5
119.08597	0.8
119.84418	0.4
121.10157	0.7
127.03953	1.6
129.06947	0.5
131.08624	0.5
133.10210	0.4
135.11729	0.5
137.90266	0.3
142.41296	0.3
145.10153	0.4
147.11760	0.4
185.04227	0.4
203.05296	0.8
243.08461	1.6
267.32776	0.3
276.20114	0.4
333.20535	1.2
335.25937	0.5
347.09665	1.6
363.09204	0.7
365.10617	0.8
368.16754	0.4
405.13657	6.0
408.44754	0.4
439.19357	0.4
453.21100	0.8
490.40826	0.5
519.29279	4.6
551.28345	2.4
681.34430	6.1
713.33545	2.3
829.50433	1.1
893.49268	1.2
991.55981	100.0
992.56262	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	986.604
Annotation	Unknow
Peak:m/z	Relative Intensity
68.56944	1.2
69.03426	1.6
69.07070	9.3
71.04983	1.4
73.02912	1.4
79.05480	31.8
81.03410	1.9
81.07051	32.7
83.04971	1.3
83.08611	4.6
85.02921	7.5
91.03950	4.7
91.05470	32.3
93.07037	30.8
95.04957	4.9
95.08601	26.3
97.02882	5.2
97.06514	3.7
97.10135	2.9
103.05478	2.4
105.07018	28.2
107.08588	17.3
109.06499	2.3
109.10143	9.5
111.08025	1.8
115.05489	1.5
116.87839	1.1
117.07005	17.7
119.08571	25.2
121.10131	13.2
123.08048	2.3
123.11664	3.7
128.06209	2.1
129.06989	10.6
130.07838	2.2
131.08562	17.9
133.10107	15.2
135.11690	7.9
141.06931	3.0
142.07745	2.0
143.08551	12.1
145.04927	2.5
145.10110	17.9
146.25400	1.2
147.11696	13.5
149.13266	3.8
153.06955	1.6
155.08531	8.3
157.10107	12.7
159.11655	14.0
161.13249	5.4
163.06042	3.1
163.14781	1.9
165.07016	1.8
166.07739	1.7
167.08534	3.1
168.09300	1.4
169.10094	9.8
171.11674	11.5
173.13258	8.3
175.14821	2.9
181.10088	5.9
182.10933	1.7
183.11674	8.9
185.13234	8.1
187.14828	5.2
189.16365	3.5
193.10106	1.7
195.11682	4.7
197.13268	6.8
199.14845	6.0
201.12750	1.5
201.16431	2.0
207.11841	1.5
209.13300	4.4
211.14754	5.0
213.16446	1.9
221.13057	1.7
223.14806	4.8
225.16310	3.2
229.19510	1.4
231.20966	1.3
237.16397	3.2
239.18005	2.5
241.19644	1.9
251.17970	2.4
257.18994	4.0
259.20599	4.5
307.20468	1.3
331.22571	1.7
333.24280	3.7
335.25696	3.2
337.25223	2.0
351.26614	1.4
365.28384	1.8
379.26129	1.3
415.99838	1.5
501.35754	1.9
513.35791	2.9
517.40308	10.2
521.35590	1.7
535.41333	3.7
539.37292	3.9
553.39148	1.6
591.43903	8.8
609.45093	100.0
610.44562	3.7
633.44556	1.5
651.45874	2.0
699.44891	1.5
753.49115	2.6
771.49878	5.5
921.27777	1.8
986.51892	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	986.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	7.2
69.07061	25.9
71.04985	2.9
71.08605	1.8
73.02910	1.9
79.05138	1.1
79.05487	57.9
81.03405	9.6
81.07050	74.8
83.04972	8.0
83.08610	13.3
85.02896	13.2
85.06548	4.7
91.03967	4.1
91.05474	49.4
93.07039	65.2
95.04951	12.6
95.08603	49.7
97.02880	10.2
97.06522	12.0
97.10154	15.1
99.08089	3.7
103.67759	1.5
105.04559	2.0
105.07017	34.4
107.04958	8.4
107.08585	46.7
109.06528	3.4
109.10143	27.3
110.97028	1.4
111.08080	4.3
113.09661	1.8
115.05383	1.7
117.07019	18.8
119.08575	26.6
121.06532	3.8
121.10138	24.0
121.10939	2.9
123.08038	4.4
123.11718	6.1
125.09624	10.5
127.03906	6.9
129.07008	5.3
130.07854	2.6
131.08577	23.1
133.06512	2.3
133.10114	24.5
135.08054	4.8
135.11678	18.7
137.09596	2.4
137.13376	1.8
141.06906	2.0
143.08572	4.8
145.10095	15.8
147.08063	2.2
147.11679	13.7
149.09593	11.2
149.13260	13.9
155.08511	2.8
157.10127	6.2
159.11691	14.2
161.13278	8.5
163.11188	5.9
163.14824	3.1
169.10135	2.9
171.11729	4.7
173.04486	3.2
173.09531	1.9
173.11893	1.9
173.13251	7.9
175.14874	3.0
177.12738	3.0
179.14351	2.6
183.11731	4.9
185.13268	2.2
187.14861	3.8
189.11177	4.1
195.11816	1.7
197.13278	2.9
201.12718	2.1
201.16399	2.6
227.12775	14.1
229.14262	10.0
229.19490	3.2
230.14615	2.3
239.17999	2.0
239.67035	2.1
241.19583	2.3
243.21062	4.0
247.20657	2.4
255.15869	1.7
257.18933	10.3
259.20587	2.8
261.22150	11.6
268.58820	1.7
269.17480	13.6
275.20084	33.5
293.21143	3.3
317.24902	4.8
331.22723	2.8
333.24255	3.3
335.25781	100.0
336.26254	3.2
349.23685	45.8
489.35699	9.4
505.35181	2.9
513.38995	3.3
515.37372	12.8
517.40747	2.0
529.38837	48.0
543.40717	2.2
569.41711	6.0
604.98907	1.9
609.45111	65.8
610.45276	3.6
627.46082	13.2
986.57007	6.2
987.52112	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	984.5878
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	4.7
69.06709	1.5
69.07059	13.9
70.94856	0.8
71.04980	1.1
73.02912	1.1
79.05486	21.5
81.03416	3.0
81.07049	29.2
81.07520	1.7
83.04973	3.6
83.08623	6.3
85.02898	3.7
85.06527	0.9
91.03941	1.4
91.05470	18.4
91.06007	1.5
93.07035	24.3
95.04968	6.6
95.08597	20.4
97.02874	7.2
97.06526	2.2
97.10148	7.1
103.05457	0.9
105.07016	12.7
107.04979	4.5
107.08584	13.1
109.06508	1.6
109.10145	9.7
111.08079	2.1
117.07012	5.1
119.08568	10.6
121.06482	1.5
121.10124	9.1
123.08077	2.6
123.11712	2.4
125.09631	5.4
127.03945	1.4
129.07021	1.4
131.08551	7.5
133.06528	1.9
133.10120	5.2
135.08063	2.5
135.11690	4.8
137.09592	2.1
143.08568	2.3
145.10109	5.2
147.08066	3.0
147.11656	4.0
149.09607	1.8
149.13226	3.6
157.10165	2.7
159.08055	0.8
159.11681	3.8
161.09610	1.2
161.13274	2.0
163.11157	0.7
163.14870	1.0
171.11659	1.0
173.13298	2.1
175.11276	0.9
176.52293	0.7
187.14879	1.4
189.11217	3.1
190.80331	0.7
193.12268	1.4
205.12270	1.7
223.13263	12.8
227.12764	4.1
229.96849	0.9
243.21158	1.9
249.14809	1.7
255.17464	1.1
261.22153	8.4
267.15961	1.0
273.18448	8.9
291.19522	70.9
309.20441	0.8
317.24835	2.6
335.25769	69.5
336.26343	0.9
347.22113	1.7
365.23181	45.4
366.23715	1.0
545.38446	5.6
557.38281	1.3
593.07507	0.9
607.43494	2.6
625.44586	100.0
626.44879	2.3
689.43134	1.0
828.70679	0.8
867.39972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34069	3.0
74.97612	0.8
84.96028	3.6
85.02895	0.4
98.21493	0.7
98.97574	17.0
102.97087	0.9
110.97538	2.6
114.36972	0.3
116.98614	15.9
119.01921	1.3
123.04449	0.3
127.03915	0.6
128.98598	7.1
131.00156	0.4
132.98096	0.8
134.98633	0.4
134.99660	8.1
140.97627	0.3
140.98573	1.7
143.00159	2.4
143.01903	0.6
144.98094	0.4
145.01762	0.5
146.99651	8.2
147.01349	0.4
149.01183	0.7
150.99150	2.8
152.98598	0.7
153.00716	1.0
155.01920	0.7
158.99644	6.9
161.01228	5.8
161.02975	1.2
162.99155	0.5
165.00691	1.5
169.00194	1.2
169.10362	0.3
170.99651	8.6
173.01328	0.7
173.03003	1.1
174.99170	1.5
175.00616	0.5
177.00710	7.7
177.02251	0.4
179.02272	1.1
182.99615	3.3
183.03197	0.6
185.01436	0.4
185.02939	1.5
187.04510	0.5
189.00700	12.8
191.02235	0.5
193.00203	6.1
193.01778	3.0
195.01761	0.8
197.01213	0.3
197.03003	0.6
200.02281	0.4
200.44336	0.3
201.00700	19.5
201.04411	1.0
203.02264	0.9
205.00180	0.8
205.03445	0.5
207.01743	2.2
211.01131	1.3
211.02815	7.8
213.00751	1.3
217.00247	0.7
217.03877	0.3
219.01752	19.8
221.05225	0.3
222.99365	0.3
223.01039	0.6
223.02936	1.5
223.04707	0.7
224.02422	0.3
227.02147	0.5
229.03726	0.5
231.01764	2.5
233.01004	0.3
235.02991	2.3
237.00742	0.6
237.02792	10.2
241.03886	2.2
242.03305	0.7
243.01747	7.8
245.03221	1.0
245.05342	2.2
247.01276	0.7
247.04703	0.8
251.02185	2.1
253.03893	1.2
255.01675	7.4
261.02802	28.4
262.03336	0.4
263.06177	0.5
265.02298	1.0
269.03271	2.8
273.02750	5.3
277.04227	2.1
279.04001	18.9
280.04404	0.4
283.04822	0.5
287.04437	0.5
289.03897	0.6
291.03842	4.9
293.03253	0.7
295.04636	1.0
297.02701	11.8
302.05441	1.0
307.03369	0.4
309.02820	1.3
311.06354	0.6
313.01950	2.5
315.03827	5.4
320.04379	0.6
321.04993	5.4
327.03815	0.9
331.03366	1.2
333.05045	0.7
339.03772	0.6
351.06079	1.3
355.03455	0.7
373.05695	0.4
381.04700	1.9
395.06888	0.4
399.05780	3.2
413.07928	0.4
427.07605	5.3
439.05942	0.5
457.07846	5.2
475.07663	6.2
518.37640	0.3
544.82129	0.3
547.12982	1.5
561.11285	15.1
562.11383	0.4
575.12946	1.3
601.10876	0.9
619.11768	1.2
637.12909	100.0
638.13251	2.8
653.12347	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6093
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07064	21.1
70.23742	16.2
79.05488	76.4
81.03443	4.9
81.07052	81.8
83.08607	8.3
85.02892	24.2
91.03927	20.0
91.05482	69.1
93.07035	84.7
95.04981	11.3
95.08605	76.0
97.02920	5.6
97.10155	5.7
105.07021	80.4
107.08588	52.3
109.10139	31.1
117.07032	26.1
119.08578	57.3
121.10122	39.7
123.08028	6.9
123.11680	13.0
125.00906	5.1
127.03864	4.9
129.06978	15.1
131.08582	30.8
133.10123	47.7
135.11682	31.8
143.08533	9.2
145.10114	33.1
147.11687	55.3
149.13255	15.3
157.10066	10.1
159.11668	34.9
161.13277	25.5
163.05980	8.1
171.11714	24.1
173.13229	19.1
175.14810	15.5
180.83444	5.4
183.11589	5.7
185.13223	13.3
187.14877	8.3
199.14877	7.3
213.16299	6.4
217.15926	5.6
220.52246	5.3
241.19548	33.4
257.18921	8.5
259.20560	91.1
261.22067	17.8
295.80826	5.2
315.22980	6.3
331.22809	5.6
333.24265	70.5
335.25751	72.8
337.27390	10.2
438.87317	8.0
519.41974	6.1
593.45245	14.2
611.37646	8.1
611.46606	100.0
970.56763	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	978.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.6
69.07057	3.2
71.59836	1.5
79.05483	12.9
81.03413	48.7
81.07050	11.4
83.04966	2.7
83.08618	10.8
85.02896	1.4
91.05476	14.2
93.07045	6.4
95.04378	0.9
95.04966	14.8
95.08588	5.3
97.02929	1.6
97.06520	2.1
97.10149	3.5
103.05449	1.9
105.07023	9.7
107.04942	5.1
107.08565	3.4
109.06483	2.5
109.10154	1.8
111.04403	1.9
111.08092	6.5
115.05354	1.0
117.06993	1.5
119.04933	2.9
119.08559	6.6
121.06509	3.0
121.10120	3.8
123.04424	3.1
123.08040	2.7
125.09629	2.7
127.03875	1.0
129.07011	8.2
131.04865	1.3
131.08549	4.7
133.06474	2.1
133.10126	5.6
135.04402	2.0
137.05931	1.1
141.06981	2.5
142.07788	2.3
145.06493	1.9
145.10094	2.1
147.04417	4.8
147.08052	2.8
147.11679	5.6
149.05978	1.6
149.09589	4.1
153.07014	3.0
155.08463	2.1
157.06552	4.3
157.10112	7.4
161.05934	4.2
163.03908	2.5
163.11200	1.5
165.05457	1.1
165.07054	2.1
165.12746	1.5
167.08554	2.4
169.06496	4.3
171.08018	3.5
173.05991	10.8
175.07495	2.9
175.11176	6.5
177.05545	1.9
177.06868	0.9
179.08627	1.1
181.06462	7.9
183.08020	4.9
185.05969	3.7
186.06750	1.0
187.07497	6.8
189.05466	2.3
191.03383	1.4
191.07036	1.6
193.06503	1.2
193.10551	0.8
193.12230	18.8
195.06445	0.9
195.08052	4.1
197.05966	10.6
197.09599	2.5
199.07520	15.3
201.05443	3.3
201.09166	1.8
203.07062	2.0
205.04839	1.0
205.06569	1.7
207.08069	3.6
209.05974	3.8
209.09552	1.5
210.06830	1.2
211.07541	10.5
211.13268	3.0
213.05479	6.7
213.08995	4.2
215.07001	4.1
217.05014	1.6
219.08171	1.7
221.06006	1.7
221.09634	1.3
223.07581	5.4
223.11224	1.2
225.05457	15.0
225.08986	4.6
226.06174	3.0
227.07013	19.3
229.05002	2.4
229.08615	1.5
235.07527	3.4
235.14845	1.7
236.08354	1.1
237.05513	2.2
237.09100	2.8
237.12752	1.1
239.07106	5.6
239.10843	1.4
239.14127	1.1
241.04962	1.8
241.08630	1.7
243.06531	2.6
249.05421	1.4
249.09142	1.5
249.12758	1.6
250.09602	1.0
251.07036	2.3
251.10739	1.1
251.12062	1.0
251.14195	6.4
253.04985	3.4
253.08565	3.5
253.12271	1.0
255.06456	7.0
255.13872	1.2
257.04388	1.0
263.06985	1.5
263.10590	1.1
263.14258	2.2
265.12250	1.1
267.06458	3.1
267.15918	100.0
268.16281	1.9
269.07983	1.6
269.15332	1.7
271.06119	1.8
273.12671	3.0
279.13745	2.1
281.15311	3.4
283.13504	1.2
285.17191	4.3
291.10559	1.4
291.13721	6.7
293.15320	2.6
295.13052	1.2
297.14807	1.6
301.11972	1.8
303.13638	1.8
309.14783	10.8
311.16434	1.3
313.14133	1.1
315.15906	3.9
319.13278	9.2
321.14838	3.2
327.15891	1.4
328.31369	0.9
329.11853	1.7
337.14316	28.5
338.14786	1.2
339.15823	6.4
347.12872	5.7
355.15408	24.0
357.16983	3.2
365.13852	20.0
373.16415	2.7
383.14865	33.5
384.15320	1.1
393.12909	1.7
401.15955	11.6
411.14224	2.5
413.19351	1.4
419.16956	1.8
429.15228	3.0
431.20737	2.7
439.17557	2.8
447.16403	2.9
457.18335	5.2
459.26926	1.8
467.17075	1.2
475.19659	2.0
485.17950	2.2
503.19223	6.0
513.26019	1.2
521.20172	28.7
522.20068	1.0
531.27240	2.0
539.21228	20.4
557.25037	1.7
575.25592	1.3
592.25348	0.9
623.31769	2.5
637.50964	0.9
649.29883	2.9
667.31000	1.6
695.31006	4.1
713.31702	24.2
731.32678	44.3
732.32825	1.4
875.21173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	56.4
67.54286	1.2
69.03419	7.5
69.06719	1.5
69.07066	23.0
69.81134	6.9
71.04991	9.0
73.02898	2.8
73.62841	1.1
77.03924	1.3
79.05487	53.6
81.03412	85.0
81.07050	64.6
83.04983	14.4
83.08612	27.3
83.78726	0.9
85.02896	10.0
85.06519	4.5
87.04413	1.4
88.43380	1.0
91.03953	2.6
91.04901	1.4
91.05476	48.7
93.07034	50.4
95.04961	34.3
95.08601	27.9
95.29311	1.2
95.31457	1.2
97.02892	7.1
97.06528	16.6
97.10152	16.5
98.20734	1.6
99.04438	3.3
99.08064	2.1
103.05449	3.1
105.07019	40.3
107.04940	14.7
107.08584	35.3
109.02829	1.2
109.06518	10.4
109.10137	16.6
111.04433	3.3
111.08077	11.0
115.05448	3.3
115.07616	1.3
117.07032	13.3
119.04921	2.1
119.08573	33.1
121.06483	11.1
121.10132	19.8
123.04385	2.2
123.08041	5.7
123.11666	4.9
125.09611	15.1
127.03885	3.4
127.91341	1.0
128.06200	3.7
129.05472	1.5
129.06989	14.1
130.07764	1.1
131.04950	1.8
131.08559	29.4
133.06482	5.3
133.10121	22.8
133.46570	1.2
135.08028	6.6
135.11685	12.7
137.09601	3.9
139.07683	1.1
141.06955	3.4
142.07733	3.2
143.08556	8.1
145.06491	6.1
145.10109	15.8
147.04372	1.2
147.08020	7.3
147.11674	18.5
149.01144	1.3
149.05878	1.2
149.09618	14.5
149.13234	8.5
151.11162	3.2
153.09096	2.3
153.12875	1.2
155.08534	5.0
157.10112	17.4
159.08040	4.1
159.11678	11.7
161.06042	1.7
161.09621	3.0
161.13223	4.4
163.11172	9.0
165.09113	2.3
165.12767	3.1
165.87866	1.2
167.08624	2.6
169.10139	5.9
171.08064	1.4
171.11650	5.8
172.90530	1.1
173.04416	2.1
173.09578	3.3
173.11790	2.0
173.13226	3.5
175.11192	9.4
177.12714	4.0
179.08728	1.2
179.14330	1.3
181.06367	1.3
181.10110	2.0
181.12241	1.9
182.29573	1.3
183.11653	3.6
185.09669	1.4
185.13266	3.9
187.11168	2.7
187.13341	1.9
187.14905	2.1
189.09665	1.5
189.11194	8.9
189.12703	2.4
193.10368	1.7
193.12212	20.0
195.11668	2.2
195.13791	3.0
197.13179	2.8
201.12772	1.5
207.13812	1.4
209.13301	2.3
211.11266	1.6
211.13251	3.7
217.15831	2.0
218.63127	1.1
219.17516	1.2
221.15294	1.3
227.12735	12.6
229.12306	1.3
229.14342	4.6
229.19408	1.4
239.17982	1.7
245.13754	2.7
247.16919	1.5
247.20441	1.6
249.14886	3.1
253.14281	1.5
255.15833	10.0
257.18936	4.2
267.15897	77.8
269.17456	20.7
273.14944	2.1
273.18433	1.9
275.20032	21.0
281.15726	1.4
291.19543	4.1
293.20953	2.0
297.22034	1.5
299.19894	2.4
301.14114	2.9
315.23114	1.6
319.15335	1.3
331.22525	2.1
349.23764	23.8
355.22754	1.7
365.22885	1.2
367.24661	4.9
369.24161	3.0
373.23761	1.8
387.25302	2.0
403.24762	2.6
405.26251	1.5
421.25833	5.5
429.26236	1.6
431.29208	1.8
435.27234	3.4
437.24609	2.1
443.27652	9.6
445.29489	1.5
447.27380	33.2
448.27780	1.5
449.30179	4.4
459.27209	3.1
461.28964	100.0
462.29413	3.4
467.31769	5.6
473.28625	1.2
477.28165	3.3
479.29709	2.5
485.33063	1.7
493.31699	10.8
501.31854	3.5
503.29846	3.3
513.35449	1.4
515.33484	1.3
519.33118	1.6
523.33850	4.0
527.29633	1.5
531.36737	2.2
541.35193	80.6
542.35406	2.2
551.29803	1.5
557.30591	1.9
559.36267	29.0
569.31329	3.0
573.37573	1.4
583.35846	3.8
587.31738	4.5
591.38165	3.3
601.36731	1.4
605.32843	2.5
645.03589	1.4
649.36914	2.6
667.38043	3.5
703.40802	2.8
1000.71033	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	967.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	48.3
69.07067	9.3
71.60249	2.8
73.12843	2.2
79.05486	35.3
81.07051	36.8
83.05010	2.7
83.08608	6.8
85.06535	8.6
91.05472	25.0
93.07035	37.1
95.04955	39.1
95.08604	23.3
97.06505	2.8
97.10139	5.8
105.07010	20.0
107.04938	5.5
107.08574	20.5
109.06508	46.3
109.10153	7.5
111.08077	3.4
113.06008	22.9
115.05448	2.7
117.07029	8.3
119.08568	15.1
121.06482	5.8
121.10150	12.7
121.10900	2.4
123.08058	3.5
124.64940	2.4
129.06918	3.1
131.08543	13.4
133.10121	10.7
135.08049	26.8
135.11673	8.7
143.08568	5.7
145.10121	10.1
147.08055	4.2
147.11722	6.1
149.09682	3.2
159.11629	7.0
161.09583	7.7
163.11208	3.6
185.13272	2.6
217.15871	9.0
255.17348	2.9
273.18488	24.9
291.19489	83.8
335.25751	73.4
347.22256	7.8
365.23376	20.5
384.18484	2.5
607.43408	16.7
613.25720	2.6
625.44507	100.0
626.43854	2.4
635.39215	2.9
678.88538	2.9
893.48322	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	964.6194
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	29.5
69.03410	7.0
69.07062	16.4
70.82294	8.6
71.04964	2.5
71.08629	21.2
79.05487	26.1
81.03416	4.4
81.07050	36.0
83.04936	4.9
83.08604	18.2
85.02896	6.6
85.10172	10.7
91.03940	8.0
91.05470	22.9
93.07034	23.7
95.04947	13.7
95.08606	34.5
97.02889	3.7
97.06543	7.0
97.10155	10.3
98.21411	2.7
105.07014	19.3
107.04940	6.8
107.08593	26.6
109.06491	5.8
109.10160	14.5
111.08086	2.9
117.07022	7.4
119.08558	12.3
121.10110	9.4
123.08082	3.2
123.11685	6.3
125.09627	6.4
128.06261	2.9
129.07048	3.4
131.08557	12.0
133.10170	12.3
134.34024	2.8
134.36934	2.3
135.08026	5.8
135.11682	10.8
145.10127	11.6
147.11699	7.2
149.09622	11.0
149.13255	6.4
159.11658	6.5
161.13260	3.5
163.11159	10.2
171.00180	2.8
189.11282	4.3
203.10664	2.6
217.15775	4.1
223.13309	6.1
227.12830	12.6
255.15877	9.4
257.18939	10.3
267.15900	3.2
269.17465	23.1
275.20065	34.3
293.21069	8.8
313.27338	100.0
331.22672	3.4
349.23779	29.0
367.24832	18.8
467.37274	3.4
493.38733	10.8
507.40460	34.6
547.43323	2.7
587.37927	4.1
587.46680	51.3
605.47754	44.5
800.84216	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	959.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	3.0
69.03436	3.7
69.07055	0.9
70.19537	1.1
70.19928	1.2
73.02932	4.0
79.05500	2.3
81.03435	0.9
81.07063	2.4
85.02893	5.0
91.03955	3.9
91.05506	0.8
93.07059	2.6
95.08614	2.5
97.02884	4.6
98.20817	0.7
101.02393	1.4
105.07089	0.7
107.08618	1.4
107.90791	0.5
119.08603	1.0
121.10126	0.7
127.03918	1.7
145.10139	0.6
164.56711	0.7
203.05380	0.7
239.76469	0.6
243.08513	1.8
250.85678	0.6
347.09714	2.1
405.13760	5.9
465.50992	0.6
519.29291	5.3
681.34247	7.0
818.44244	0.6
919.78259	0.7
959.56958	100.0
960.57184	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	964.6201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	43.1
69.03421	7.7
69.07068	25.3
71.04994	4.3
71.08632	26.7
73.02892	2.8
79.05123	1.1
79.05488	29.1
81.03410	10.7
81.07054	60.2
83.04977	8.9
83.08615	15.0
85.02898	10.0
85.06538	2.8
85.10181	15.8
91.03938	5.1
91.05478	24.6
93.07036	36.1
93.07622	1.9
95.04967	7.5
95.08599	35.9
97.02879	8.5
97.06537	11.8
97.10172	9.7
99.04441	1.6
99.08093	4.0
103.05479	1.8
103.07589	1.4
105.07029	19.5
107.04955	5.8
107.08592	21.3
109.02862	1.9
109.06538	5.5
109.10163	16.9
111.04416	1.7
111.08072	3.1
111.11674	1.5
116.06210	1.2
117.07017	13.2
119.08576	17.3
121.06509	2.5
121.10162	8.7
123.08097	2.1
123.11711	5.1
123.15318	1.1
125.09624	2.3
127.03895	5.3
129.05429	1.8
129.07007	3.6
131.08566	12.6
133.06525	1.4
133.10120	13.3
135.08061	3.6
135.11678	11.6
137.09608	2.1
137.13264	1.8
141.06964	1.6
143.08607	2.9
145.04961	3.5
145.10103	11.0
147.07974	1.5
147.11639	6.5
149.09618	8.2
149.13264	8.4
151.11270	1.2
157.10117	2.5
159.11713	9.6
161.13243	3.9
163.05965	1.5
163.11192	6.3
169.10081	1.7
171.11678	2.9
173.04369	2.8
173.13257	3.2
177.12747	4.8
179.14322	2.1
181.12263	1.5
183.11623	1.7
185.13237	1.8
189.11174	1.3
195.13795	4.1
197.13307	1.6
217.15851	2.9
219.13799	1.2
227.12805	3.0
229.14336	2.4
229.19411	1.5
239.17874	1.6
239.23758	4.2
255.15898	13.4
257.18964	7.5
267.15967	2.4
269.17474	39.4
275.20047	25.1
276.42740	1.1
293.17447	2.1
293.20953	2.4
313.27353	99.6
314.27716	3.9
321.24155	1.8
331.22632	3.4
339.18103	2.0
339.66125	1.3
349.23727	29.8
367.24786	5.0
388.41666	1.2
403.08286	1.2
409.32831	1.4
413.21683	3.1
467.37238	3.5
493.38962	20.3
494.39386	1.4
507.40433	100.0
508.40521	3.9
547.43542	5.4
577.98779	1.2
587.46704	41.6
588.46436	2.0
605.47760	12.7
651.44800	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	954.6139
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00240	1.0
67.05502	50.6
69.03403	2.6
69.07065	10.2
71.04971	2.2
71.59127	1.7
73.02900	4.0
74.49702	0.8
79.05489	34.3
81.03412	1.1
81.07053	53.0
83.04970	1.6
83.08612	5.8
85.02901	15.5
85.06519	2.5
91.03948	9.0
91.05476	20.6
93.07037	40.0
93.07627	1.9
94.54115	0.9
95.04972	5.0
95.08601	43.4
97.02876	8.1
97.06497	2.6
97.10143	4.0
105.07025	19.8
107.08586	22.6
109.06490	2.4
109.10151	19.9
109.10827	1.9
111.08045	1.2
117.07027	5.9
119.07770	1.6
119.08578	16.8
121.10131	19.2
123.08033	1.1
123.11729	6.9
123.97387	0.9
127.03884	4.9
127.11146	1.2
129.07043	1.2
131.08571	13.4
133.10127	12.6
135.08044	1.2
135.11691	15.3
137.13249	2.7
143.08568	1.7
145.04939	5.6
145.10120	9.7
147.11671	10.8
149.09653	1.2
149.13257	10.7
151.11197	1.0
157.10126	2.1
159.11691	8.2
161.13255	7.5
163.06018	6.7
163.14822	4.2
171.11626	2.6
173.13228	8.7
175.14815	3.2
177.16377	1.8
185.13232	3.5
187.14784	4.7
194.31967	0.9
199.14830	2.2
201.16350	1.4
217.19534	1.0
218.39827	0.8
241.19521	3.2
243.21101	4.8
259.20551	10.4
261.22125	20.2
263.23721	2.3
285.22083	1.1
289.77838	0.9
299.23624	1.3
315.23264	1.8
317.24680	3.2
333.24228	6.3
335.25781	100.0
336.26038	1.2
337.27341	12.7
521.43274	3.0
531.40002	1.3
539.44604	2.3
543.40381	1.8
595.47131	19.2
613.48218	20.0
671.47784	1.0
954.58252	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.548
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	50.8
69.03416	5.8
69.07067	19.3
69.45370	11.2
69.45781	3.5
71.04985	14.0
73.02916	3.6
79.05064	2.8
79.05490	40.6
81.03411	31.5
81.07051	63.3
83.04990	10.0
83.05373	1.8
83.08609	19.8
84.68243	1.7
85.02911	12.1
85.06543	4.7
91.03941	6.3
91.05473	50.0
93.06463	2.8
93.07042	47.7
95.04967	15.5
95.08594	30.2
97.02885	7.7
97.06483	8.4
97.10175	8.8
99.08072	2.8
105.07025	39.4
107.04932	7.2
107.08590	27.8
109.02921	2.4
109.06504	5.6
109.10155	17.5
111.08081	5.3
115.05441	3.7
117.07006	17.1
119.08567	34.2
121.06500	5.9
121.10138	17.3
123.08086	4.7
123.11714	8.4
125.09631	6.8
128.06209	1.9
129.06996	10.2
131.08557	21.2
133.06505	4.0
133.10118	26.9
134.10442	2.0
135.08041	5.5
135.11653	10.8
137.09587	3.0
139.11145	1.8
141.06970	4.0
142.07782	2.5
143.08560	9.7
145.04953	3.5
145.06477	3.1
145.10117	20.2
147.08009	3.2
147.11670	21.0
149.09590	6.7
149.13223	7.5
151.11171	5.1
155.08548	5.4
157.10098	14.8
159.08066	2.5
159.11713	17.4
161.09560	2.1
161.13245	7.8
163.06010	3.2
163.11157	5.1
165.12697	2.7
167.08553	3.0
169.10100	6.6
171.11668	9.5
173.09593	3.5
173.11890	1.6
173.13193	8.5
175.11179	5.9
175.14857	3.2
181.10046	2.1
183.11674	5.0
185.13243	6.7
187.11176	1.7
187.13269	2.9
187.14827	4.0
189.11134	4.7
189.12715	2.8
193.10258	2.0
193.12213	6.8
195.11676	3.0
197.13213	4.5
199.11189	1.8
199.13173	1.6
199.14833	2.7
201.16399	1.8
206.62993	1.5
209.13264	2.6
211.14757	2.0
213.16502	2.0
223.14835	2.0
227.12746	7.4
229.14400	2.7
239.18040	2.1
259.20514	15.5
267.15906	18.7
269.17514	4.4
271.20346	1.8
275.20053	10.0
285.16995	4.6
291.19434	2.4
293.21094	1.9
299.23703	5.6
301.20203	6.8
333.24219	5.9
349.23782	5.4
405.26007	1.8
407.24304	2.1
421.25653	5.9
423.27356	3.2
433.30948	7.5
435.27371	7.2
437.28864	6.5
449.29028	6.0
451.31903	8.7
463.30826	8.6
469.33133	4.0
495.33704	9.5
499.33850	2.2
503.32889	2.1
507.34576	3.3
517.35254	13.8
525.28381	2.9
525.35767	37.4
541.34875	2.8
543.36768	100.0
544.36981	3.8
557.38318	7.5
559.35443	3.0
567.36951	2.7
575.39703	16.3
585.37463	2.2
593.38959	1.7
629.36719	1.7
633.38495	2.1
651.38312	2.2
669.39459	2.4
687.41876	2.3
705.41553	2.3
752.98694	2.2
952.43146	3.5
953.44775	3.3
957.94287	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	952.5472
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	65.1
69.03419	6.6
69.07066	19.1
71.04993	27.8
71.60503	1.8
73.02909	3.4
79.05487	42.2
81.03418	14.8
81.07052	100.0
83.04974	10.3
83.08629	11.7
85.02893	12.7
85.06551	7.1
91.03922	4.4
91.05476	41.0
92.13088	1.3
93.07040	42.4
95.04966	10.3
95.08603	21.9
97.02882	7.3
97.06516	11.8
97.10155	4.8
99.04427	1.7
99.08110	2.1
105.07021	29.5
107.04945	4.2
107.08589	28.0
109.02850	2.6
109.06513	5.4
109.10155	12.3
111.04436	1.6
111.08067	4.0
117.07009	10.7
119.08574	14.9
121.06480	4.0
121.10116	13.2
123.08089	2.3
123.11695	14.5
125.09612	5.9
127.03878	3.9
129.06982	5.4
131.08563	16.0
133.06503	1.6
133.10121	27.0
135.08060	4.1
135.11685	11.1
137.09563	2.1
143.08536	4.2
145.04950	2.0
145.10106	8.2
147.08023	1.7
147.11685	7.5
149.09586	7.7
149.13243	11.0
151.11195	9.3
157.10149	3.2
159.11699	11.1
161.09615	1.6
161.13216	1.9
163.11154	4.9
165.12720	1.4
168.29037	1.4
169.10123	2.2
171.11703	3.1
173.04427	3.5
173.09590	1.5
173.13217	3.8
177.12718	3.8
179.14276	3.0
183.13831	2.1
185.13127	1.5
187.13248	4.6
187.14767	1.7
189.11163	1.7
195.13765	4.5
196.01344	1.3
197.13216	1.8
201.14796	2.4
213.14836	1.4
225.14809	2.4
227.12764	4.9
239.18082	1.3
243.15808	3.5
251.16302	1.8
267.15820	3.9
269.17426	10.7
275.20096	14.2
285.16968	2.0
293.21091	1.8
301.20020	15.9
349.23730	12.2
367.24844	1.7
375.25360	1.6
395.65320	1.3
400.27997	1.4
423.27405	4.8
427.27032	2.5
435.30939	1.6
437.29025	16.9
439.26324	1.6
445.29797	3.0
449.28970	13.2
451.30524	5.1
455.30417	1.8
463.30539	24.8
481.31476	2.4
495.33203	37.8
499.34201	2.4
517.35168	34.2
525.35327	4.0
531.36615	3.9
542.35193	2.4
543.36658	29.1
561.37695	3.2
575.39398	19.0
593.39734	4.3
607.34863	8.0
639.37085	2.4
661.39709	1.7
952.45532	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	952.51
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	100.0
69.03424	15.5
69.07061	43.2
71.01338	3.3
71.04980	10.1
71.35356	2.0
71.35712	2.2
73.02917	7.3
79.05485	75.4
81.02924	2.5
81.03410	67.3
81.07049	85.7
82.04209	2.6
83.04967	24.1
83.08610	31.0
85.02415	2.4
85.02895	30.1
85.06530	6.5
91.03946	9.7
91.05471	85.7
93.07035	61.2
93.07517	1.2
95.04955	44.1
95.08595	46.0
96.08899	1.7
97.02886	21.0
97.06524	24.2
97.10161	18.7
97.54961	1.5
98.07276	2.1
99.04465	2.2
99.08084	4.5
101.05991	2.1
103.05424	2.8
105.07020	65.6
107.04937	20.4
107.08587	37.2
109.02868	4.5
109.06516	12.8
109.10151	39.8
111.04449	4.5
111.08061	16.7
111.80832	1.5
113.05995	3.5
115.05436	4.6
116.04707	4.0
117.07001	17.1
119.08566	44.4
121.06517	8.3
121.10125	23.5
123.08047	11.2
123.11700	5.8
125.09610	16.2
127.03925	6.6
127.07536	1.9
128.06224	3.0
129.05487	8.1
129.06984	17.5
130.07756	1.7
130.25591	1.7
131.08554	34.7
133.06477	6.0
133.10109	39.9
135.08075	8.6
135.11684	18.0
137.09592	16.1
139.11215	2.7
141.06972	2.5
141.54343	1.4
142.07822	3.5
143.07091	1.7
143.08588	4.8
145.04971	3.5
145.06493	2.9
145.10115	21.4
147.08018	7.3
147.11662	25.4
147.18942	1.6
149.09613	26.5
149.13268	6.5
151.11180	5.3
153.09091	1.7
153.12723	2.6
155.08601	2.4
155.10620	3.6
157.08618	4.7
157.10120	19.3
159.11671	11.7
161.09615	4.0
161.13235	5.7
163.11185	14.4
165.12738	5.4
169.10048	3.6
171.10292	1.8
171.11671	4.4
173.04449	2.7
173.09615	2.1
173.11714	10.6
173.13278	7.4
175.11185	20.7
177.12766	4.1
179.14288	3.8
179.65376	1.9
183.11731	2.7
185.13310	3.7
187.11293	1.8
187.13237	2.3
187.14835	2.0
189.11241	6.5
193.12222	48.3
195.13808	3.8
199.13263	4.3
207.13658	1.9
209.11693	3.1
211.13274	60.7
211.15250	3.3
223.13228	2.0
227.12747	15.5
227.18117	1.8
229.14325	15.0
229.19453	3.4
239.18152	2.1
243.15952	3.6
247.20750	2.5
249.14687	2.1
253.14426	5.6
253.18126	1.8
255.15678	7.4
257.19009	7.9
259.20648	1.7
267.15872	37.3
268.16641	2.0
269.17441	10.6
273.18442	7.9
275.20032	40.6
283.15375	4.3
285.16928	44.8
291.19467	10.3
293.21109	5.5
297.16876	1.8
299.14938	3.3
301.16400	24.1
316.08127	1.6
321.24332	1.6
331.22794	2.1
347.22260	1.8
349.23685	53.2
363.21692	1.6
365.23233	6.8
373.18704	1.8
381.22781	4.4
409.25751	2.8
421.25775	9.7
423.27457	4.8
435.27716	2.6
438.56448	2.0
439.26804	28.2
445.29044	2.2
447.27289	2.9
453.28577	3.6
461.28897	3.0
463.30280	6.5
465.28384	4.0
477.28278	3.2
479.29910	2.7
481.27988	2.6
495.29395	10.0
539.33374	2.6
541.35211	20.0
557.34644	7.7
558.35083	2.7
559.36163	46.2
575.35632	22.5
577.37207	6.1
593.36774	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	951.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99947	0.4
73.00362	0.2
73.02869	0.4
76.26116	0.2
85.02881	0.5
91.03921	0.3
97.02834	0.6
109.90807	0.2
123.04399	0.2
127.03848	0.3
134.48044	0.2
153.01775	0.2
185.04199	8.2
207.77440	0.3
229.04936	0.6
253.01808	0.3
287.04016	0.6
303.04984	2.2
304.05219	0.5
305.05148	0.6
315.03424	0.3
324.02341	5.7
325.02866	3.5
333.04721	0.4
343.02899	2.3
361.04013	32.3
362.04248	0.8
363.04584	0.2
367.97583	0.2
377.01807	1.4
379.05084	17.4
380.05460	0.3
381.01071	0.6
384.05682	1.8
385.03973	2.2
395.02798	0.7
397.03986	0.9
399.01852	0.4
403.05060	11.2
403.55121	0.5
404.55341	0.3
405.04727	0.8
405.54984	0.3
415.05002	1.5
417.06540	0.3
421.04437	0.3
426.06766	1.3
427.05051	1.4
439.05038	3.1
451.05130	0.3
452.06247	0.2
457.06290	0.6
462.06094	0.2
469.06104	0.2
485.58380	0.3
486.07104	0.3
487.08325	100.0
488.08578	2.2
490.04034	0.5
495.04260	0.5
505.08139	2.1
571.06952	0.5
598.06415	0.6
599.06580	0.4
617.08032	0.3
627.06110	20.3
628.06421	0.7
643.05725	0.4
644.09003	0.3
645.07178	11.6
646.07520	0.5
668.08557	1.6
669.08002	0.3
789.11176	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91598	2.7
67.05503	68.6
69.03427	15.5
69.07053	25.3
69.87137	9.1
69.87539	7.3
71.04974	4.7
72.08123	4.5
73.02892	9.3
79.05068	3.4
79.05491	53.4
81.03410	30.2
81.07053	70.8
83.04962	13.0
83.08604	15.1
85.02891	26.9
91.03947	11.4
91.04963	4.1
91.05475	50.7
93.07034	49.3
95.04944	13.9
95.08598	42.0
97.02888	23.4
97.06517	19.1
97.10136	8.9
99.04412	5.7
101.02381	3.6
105.06386	3.9
105.07031	52.0
107.04927	10.2
107.08585	31.6
108.08810	2.9
109.02828	7.7
109.06507	3.2
109.10159	20.8
111.08071	5.8
115.03981	3.0
115.05424	4.6
117.06993	20.3
119.08572	39.2
121.10149	24.4
123.08114	4.4
123.11714	6.5
125.09606	6.6
127.03957	14.6
128.06181	6.2
129.06984	16.7
130.07901	3.6
131.08580	34.3
133.10110	29.4
135.07988	4.5
135.11678	14.8
137.09593	3.4
141.06923	6.5
142.07724	3.2
143.08598	17.8
145.04970	4.3
145.10115	24.1
147.08051	5.0
147.11713	24.3
149.09634	6.1
149.13235	4.9
151.11198	3.4
155.08554	15.6
157.10127	17.1
159.08055	3.8
159.11665	16.4
161.09532	4.3
161.13268	8.4
163.11110	4.8
169.10097	13.1
171.11630	16.3
172.13414	2.9
173.04407	10.6
173.09691	3.8
173.13237	12.7
175.14914	3.9
179.08543	4.1
181.10080	7.9
183.11635	15.5
185.13251	14.3
187.14761	5.9
193.10127	4.7
195.11674	5.7
197.13255	10.6
199.14920	6.8
207.11754	4.4
209.13248	7.0
211.14833	4.2
213.16447	4.4
223.14742	6.1
225.16356	4.1
227.12773	3.7
227.17789	4.0
229.14316	4.5
235.14853	3.7
241.19521	6.1
251.17883	3.4
259.20602	13.2
269.17432	4.6
273.18329	4.6
275.20087	14.4
325.21567	3.6
326.25168	3.7
333.24387	8.3
335.25693	8.1
339.22919	3.0
349.23993	6.8
351.22714	3.6
461.15549	3.1
495.34988	4.6
513.35791	17.0
515.37769	5.4
527.37042	13.0
533.39825	9.1
551.40564	4.8
607.43506	46.2
625.44641	100.0
653.40588	4.8
671.41364	4.1
689.41827	10.2
732.51434	3.8
751.47681	5.5
769.48676	11.1
787.48969	11.8
949.52979	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	941.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	3.4
69.03437	3.2
69.07074	0.8
70.21094	0.6
70.21486	1.1
71.01360	0.6
71.05001	0.8
73.02910	3.2
79.05490	2.8
81.03403	3.1
81.07049	3.3
83.08601	0.6
85.02905	5.8
90.02576	0.4
91.03954	3.0
91.05485	2.5
93.07049	3.3
95.04970	1.2
95.08608	1.7
97.02894	5.0
97.06513	0.4
97.21333	0.4
97.98141	0.4
98.20785	0.3
99.04458	0.6
101.02364	1.9
103.03984	0.4
105.07060	1.3
107.05006	0.3
107.08598	1.6
109.02889	0.8
109.06481	0.5
109.10144	0.7
119.08598	0.7
121.10155	2.0
123.04420	0.4
127.03953	1.4
131.08623	1.1
133.10182	1.0
135.11760	0.9
145.04961	0.6
145.10201	0.4
147.11728	1.0
149.09665	0.7
171.41185	0.4
173.13322	0.4
185.04216	0.8
203.05434	0.5
243.08539	1.6
251.11398	0.6
263.12802	0.4
269.12521	0.8
283.15219	2.3
307.14258	0.4
314.51175	0.4
335.25928	1.0
339.17746	0.4
347.09647	1.5
363.08829	0.4
365.10590	1.1
393.25952	0.4
405.13599	5.3
470.68024	0.5
501.22980	4.0
519.29236	5.3
649.68073	0.4
663.28625	3.7
681.34473	6.9
779.45551	1.6
941.50732	100.0
942.50568	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	936.5523
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	70.3
69.03433	5.0
69.07063	19.3
69.33272	37.1
69.93635	3.3
71.04991	40.7
73.02910	5.8
79.05040	5.6
79.05487	43.8
81.03430	7.4
81.07057	100.0
83.04983	5.5
83.08585	9.8
85.02894	12.8
85.06520	6.2
91.03961	8.7
91.05479	63.1
91.06001	5.4
93.07047	49.6
95.04980	13.7
95.08610	32.1
97.02885	12.0
97.06519	8.8
97.10167	4.8
98.21452	7.0
105.07028	56.6
107.08600	27.2
109.02980	3.9
109.06522	6.3
109.10157	14.5
111.08075	5.6
117.07044	17.9
119.08566	35.7
121.10156	14.3
123.11720	11.3
125.09634	6.7
129.06987	4.5
131.08572	25.3
133.10147	31.3
135.11671	13.5
143.08601	11.1
145.10129	20.4
147.11687	27.4
149.13304	12.1
151.11203	8.3
155.08524	6.7
157.10167	10.0
159.11719	19.0
161.13269	12.0
171.11722	11.0
173.13312	16.7
175.15013	3.6
179.40926	3.5
183.11784	3.9
185.13298	11.1
187.13347	4.8
187.14838	5.2
195.13770	6.0
199.14839	4.2
201.14755	3.9
208.37349	3.5
227.16582	3.7
236.50252	4.0
241.19566	6.7
243.15855	8.7
259.20630	33.3
269.17377	6.5
301.20135	22.3
315.23117	5.3
317.98615	3.9
333.24152	25.5
409.31085	8.6
435.32651	8.7
483.34622	11.6
501.35818	70.0
502.35587	5.2
509.35907	9.6
526.99805	3.7
527.37213	78.8
533.38074	5.7
545.38464	8.4
559.40088	26.7
577.40417	6.2
625.90192	4.9
936.30139	5.4
936.46350	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.552
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	3.9
67.05501	67.6
69.03424	4.8
69.06717	1.2
69.07066	18.6
71.04973	3.5
73.02909	2.9
79.05488	51.5
81.03415	98.2
81.07053	70.9
83.04971	7.8
83.08617	24.5
85.02892	8.1
85.06535	3.5
91.03955	4.7
91.05478	40.4
93.07040	56.0
95.01354	1.2
95.04966	34.0
95.08604	48.0
97.02892	7.0
97.06538	4.8
97.10155	7.0
99.04462	0.9
99.08091	1.6
99.70594	0.8
105.07024	30.8
107.04964	8.0
107.08591	31.8
108.29904	0.8
108.36118	0.8
109.02877	1.6
109.06506	6.2
109.10152	23.0
111.04401	1.8
111.08070	6.0
115.05452	2.1
117.07013	10.5
119.04941	2.1
119.08573	26.9
121.06500	3.8
121.10133	28.3
123.04422	2.1
123.08072	3.2
123.11698	7.6
125.09624	4.6
127.03891	2.0
128.06174	0.9
129.07001	10.6
131.08563	20.0
133.06467	4.1
133.10127	15.7
135.08026	2.4
135.11691	15.9
137.09590	2.6
137.13237	2.1
141.07057	1.5
142.07726	2.9
143.08540	3.0
145.04991	2.6
145.06529	1.0
145.10114	13.7
147.04343	1.9
147.08028	4.0
147.11685	14.8
149.09615	5.6
149.13242	8.0
151.11249	1.1
153.09131	1.4
154.07768	1.1
155.08531	1.3
157.10126	9.5
159.11697	8.1
161.09492	1.2
161.13234	5.7
163.05994	2.8
163.11154	4.1
163.14804	4.7
165.12773	2.3
167.08461	0.8
169.10161	1.9
171.07970	1.2
171.11703	2.0
173.11949	0.9
173.13249	6.2
175.11169	8.4
175.14786	2.6
179.08598	1.0
181.10139	1.0
183.11592	1.6
185.13235	2.4
187.14769	4.5
189.11224	3.8
189.12718	1.3
191.14310	1.0
193.12254	19.3
195.11646	1.4
197.13197	0.9
199.14777	1.7
201.16412	1.7
205.12189	1.2
211.13289	1.1
227.12805	6.0
229.66418	1.1
233.15205	0.9
235.13286	3.2
243.21127	5.2
247.16864	1.5
249.14792	2.4
259.13321	2.9
261.22134	22.9
265.14264	0.9
267.15900	96.6
268.16199	0.9
273.14685	1.4
279.19296	0.9
279.23062	1.3
285.22241	1.2
299.23575	1.8
301.14255	2.4
301.25220	5.9
309.17044	5.0
317.24796	4.1
335.25784	100.0
341.24872	1.1
359.25919	1.4
363.25647	0.9
403.24515	1.0
417.32077	1.0
421.25696	1.6
435.27435	2.5
435.32593	3.8
453.16714	1.0
453.33597	7.0
471.34790	5.7
473.33740	1.0
475.30820	1.1
509.35983	1.8
527.37299	70.2
528.37555	1.5
545.38330	70.3
546.38733	1.8
559.39667	2.5
569.38251	12.5
577.40729	1.5
587.38806	1.4
611.39496	1.7
623.39368	3.1
635.39343	5.1
653.40240	2.3
671.41412	3.7
719.27850	0.9
948.30878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	4.8
67.05501	73.4
69.03419	13.9
69.07066	32.9
71.04986	8.1
73.02914	3.3
79.05488	77.8
81.03413	84.7
81.07051	91.6
83.04978	29.9
83.08618	42.5
85.02902	45.6
85.06531	6.5
91.03944	7.1
91.05476	74.5
93.07036	63.0
95.04961	44.7
95.08595	37.6
97.02882	15.0
97.06525	24.2
97.10155	20.1
98.78049	2.3
99.04452	2.2
99.08093	4.8
105.07023	60.7
107.04943	17.7
107.08584	52.5
109.02874	5.0
109.06499	12.4
109.10146	18.9
111.04430	5.9
111.08069	18.9
113.06020	4.0
115.05387	2.4
117.07018	20.0
119.08580	49.1
121.05613	1.7
121.06497	7.0
121.10149	27.1
123.08095	10.0
123.11693	5.5
125.09608	13.8
127.03904	9.9
127.07490	2.1
129.06990	20.5
130.07759	1.9
131.08553	29.5
133.06470	6.7
133.10115	40.8
135.08090	5.6
135.11674	12.7
137.09644	6.0
137.13252	2.5
142.07780	6.2
143.08539	3.2
145.04980	3.5
145.06456	3.4
145.10104	26.1
147.08047	6.7
147.11673	35.0
149.09612	26.7
149.13249	7.4
151.11139	4.0
155.08598	3.5
157.10133	25.1
159.08052	2.3
159.11674	15.8
161.09592	4.0
161.13252	5.8
163.06024	3.8
163.11183	16.1
165.12766	8.0
169.10094	4.0
171.11656	4.9
173.04446	4.4
173.09686	2.6
173.11835	2.7
173.13260	6.8
175.11165	21.3
177.12675	2.2
179.14343	3.3
181.12161	1.8
183.11670	4.2
185.13304	3.4
187.11238	3.5
189.11194	10.9
193.12225	62.8
195.11737	2.4
195.13762	3.8
197.13304	3.2
209.13271	2.4
211.13274	94.0
215.17876	2.7
227.12776	31.2
229.19400	2.5
239.17865	4.6
247.16405	2.2
247.20564	3.5
249.14917	2.7
255.15779	9.4
257.19012	18.2
267.15933	49.9
269.17435	26.6
275.17816	1.2
275.20044	59.5
285.16953	84.2
293.21042	3.8
331.22650	5.9
349.23700	59.7
367.24811	4.0
381.22421	2.0
419.23355	2.1
421.25562	2.1
437.25488	4.1
439.26804	12.4
443.27679	2.6
445.29346	2.1
447.27185	11.6
449.30466	2.1
455.26462	4.9
459.28174	2.1
461.29025	32.9
463.30453	4.0
465.28433	16.2
479.30029	83.5
489.06055	1.9
523.33862	2.7
541.35193	44.2
559.36267	100.0
577.37286	12.6
587.31708	2.7
623.33679	9.3
675.71753	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	934.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.5
65.43634	1.6
65.73819	1.3
67.05501	56.9
69.03455	7.4
69.03764	1.7
69.07067	22.5
71.04980	7.7
71.60371	1.4
73.02898	3.5
74.51656	1.4
79.05489	48.3
81.03414	54.2
81.07052	67.4
83.04974	17.1
83.08613	24.9
85.02901	24.0
85.06526	6.6
91.03938	5.1
91.05474	67.5
93.07037	44.8
95.04962	31.7
95.08603	25.5
97.02905	7.2
97.06519	9.5
97.10156	7.2
99.04440	3.3
99.08119	2.7
103.05447	1.8
105.07024	62.2
107.04955	14.2
107.08584	39.8
109.02885	1.6
109.06531	12.9
109.10150	40.1
111.04438	3.8
111.08058	10.0
113.05990	4.7
115.05431	2.4
117.07009	9.0
119.08576	29.1
121.06471	9.1
121.10126	13.6
123.08064	9.5
123.11713	8.5
123.75686	1.8
124.88805	1.7
125.09638	4.2
127.03893	2.8
127.07567	3.7
128.06186	3.1
129.06993	14.5
131.04906	2.3
131.08546	22.9
133.06508	8.2
133.10124	66.5
135.08054	9.4
135.11690	7.0
137.09584	2.5
142.07741	2.0
143.08572	3.5
145.10132	13.2
147.08075	12.1
147.11664	16.8
149.09634	11.1
149.13252	2.4
151.11182	26.1
155.08531	2.5
157.10118	15.4
159.08067	2.2
159.11678	4.1
161.09561	7.1
161.13246	2.7
163.05998	1.7
163.11168	5.2
164.26866	1.9
165.12730	3.4
169.12242	4.9
171.11670	4.2
173.09647	1.9
175.11183	13.2
177.09167	2.2
179.10683	1.5
187.14774	1.4
189.11201	2.3
189.12773	2.6
193.10448	2.0
193.12230	34.3
211.13293	59.9
211.15269	3.4
223.13324	3.3
227.12683	3.8
245.19061	4.0
249.14838	2.1
251.12833	2.1
253.14336	88.3
255.17537	2.0
263.20169	2.3
267.15918	26.6
269.17471	4.1
271.15439	2.2
273.18475	28.3
275.20047	2.1
283.15424	1.8
285.16953	62.9
291.19510	37.2
309.20593	2.7
338.54990	1.6
347.22055	14.4
359.95050	1.7
365.23221	41.4
366.23450	1.7
445.25696	3.3
461.25082	2.2
463.26862	28.6
477.28134	2.1
481.28024	29.9
501.31134	2.0
538.40997	1.8
539.33429	6.4
543.36566	4.5
556.36902	2.8
557.34650	40.7
558.35394	1.7
574.34381	1.8
575.35718	100.0
576.35577	2.6
935.41309	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	934.5
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	4.7
67.05502	56.4
69.03434	12.8
69.06715	3.3
69.07063	36.9
71.04990	8.9
71.59235	2.6
73.02885	4.4
77.14884	1.9
79.05059	3.2
79.05489	51.5
79.64143	2.2
81.03415	51.8
81.06569	4.0
81.07054	64.8
83.04984	17.9
83.08614	27.4
85.02894	28.4
85.06562	2.8
91.03954	4.6
91.05478	47.0
92.05676	2.1
93.07039	49.8
95.04967	31.3
95.08603	22.7
97.02888	18.9
97.06537	10.0
97.10164	18.8
99.04472	3.0
99.08084	2.4
101.79268	1.8
103.05482	2.3
105.07024	37.7
107.04938	15.8
107.08589	29.1
109.02876	2.0
109.06498	11.7
109.10153	17.6
110.55447	1.7
111.04432	3.4
111.08075	9.7
115.05412	3.3
117.07026	16.0
119.07779	2.8
119.08582	33.9
121.06508	8.4
121.10152	15.8
123.04412	1.8
123.08048	8.3
123.11704	4.0
125.09618	18.0
127.03918	3.6
129.06989	14.8
131.08556	20.8
133.06470	5.9
133.10121	26.1
135.08066	8.9
135.11676	12.4
137.09631	5.5
137.51816	1.9
141.06967	2.1
142.07776	2.6
143.08549	5.0
145.04863	2.7
145.06458	2.2
145.10103	18.5
147.08031	12.6
147.11687	17.7
148.56508	1.9
149.09622	11.5
149.13303	6.6
151.11182	6.3
157.10103	14.5
159.08078	3.0
159.11696	6.8
161.09601	3.5
161.13286	2.2
163.11182	16.0
165.09166	2.3
165.12717	2.4
169.12279	2.1
171.10164	2.0
171.11674	3.0
173.09595	5.1
175.11160	11.1
177.12759	2.5
181.12296	3.4
187.11238	2.2
189.11147	5.2
193.12245	32.0
195.13704	3.1
211.13300	35.9
219.13861	3.0
223.13232	15.2
227.12773	19.5
245.19095	2.2
249.14929	4.7
253.14261	9.9
257.19040	2.3
263.16434	1.9
267.15894	26.1
269.17450	5.6
273.18463	20.4
275.20102	11.6
283.15366	26.2
285.13956	3.5
285.16934	39.5
291.19531	100.0
293.21066	2.0
309.20746	2.6
347.22131	6.4
349.23914	8.9
365.23181	48.1
437.25198	5.5
445.25638	2.4
459.27539	3.6
463.26605	6.6
476.49017	2.3
477.28354	21.2
483.31180	2.8
495.29095	3.0
537.79834	1.8
539.33160	5.6
557.25970	2.8
557.34717	67.1
575.35748	94.9
576.35114	2.7
719.38892	2.0
720.74670	2.2
813.87292	2.3
964.27393	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	934.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	2.5
65.43634	1.6
65.73819	1.3
67.05501	56.9
69.03455	7.4
69.03764	1.7
69.07067	22.5
71.04980	7.7
71.60371	1.4
73.02898	3.5
74.51656	1.4
79.05489	48.3
81.03414	54.2
81.07052	67.4
83.04974	17.1
83.08613	24.9
85.02901	24.0
85.06526	6.6
91.03938	5.1
91.05474	67.5
93.07037	44.8
95.04962	31.7
95.08603	25.5
97.02905	7.2
97.06519	9.5
97.10156	7.2
99.04440	3.3
99.08119	2.7
103.05447	1.8
105.07024	62.2
107.04955	14.2
107.08584	39.8
109.02885	1.6
109.06531	12.9
109.10150	40.1
111.04438	3.8
111.08058	10.0
113.05990	4.7
115.05431	2.4
117.07009	9.0
119.08576	29.1
121.06471	9.1
121.10126	13.6
123.08064	9.5
123.11713	8.5
123.75686	1.8
124.88805	1.7
125.09638	4.2
127.03893	2.8
127.07567	3.7
128.06186	3.1
129.06993	14.5
131.04906	2.3
131.08546	22.9
133.06508	8.2
133.10124	66.5
135.08054	9.4
135.11690	7.0
137.09584	2.5
142.07741	2.0
143.08572	3.5
145.10132	13.2
147.08075	12.1
147.11664	16.8
149.09634	11.1
149.13252	2.4
151.11182	26.1
155.08531	2.5
157.10118	15.4
159.08067	2.2
159.11678	4.1
161.09561	7.1
161.13246	2.7
163.05998	1.7
163.11168	5.2
164.26866	1.9
165.12730	3.4
169.12242	4.9
171.11670	4.2
173.09647	1.9
175.11183	13.2
177.09167	2.2
179.10683	1.5
187.14774	1.4
189.11201	2.3
189.12773	2.6
193.10448	2.0
193.12230	34.3
211.13293	59.9
211.15269	3.4
223.13324	3.3
227.12683	3.8
245.19061	4.0
249.14838	2.1
251.12833	2.1
253.14336	88.3
255.17537	2.0
263.20169	2.3
267.15918	26.6
269.17471	4.1
271.15439	2.2
273.18475	28.3
275.20047	2.1
283.15424	1.8
285.16953	62.9
291.19510	37.2
309.20593	2.7
338.54990	1.6
347.22055	14.4
359.95050	1.7
365.23221	41.4
366.23450	1.7
445.25696	3.3
461.25082	2.2
463.26862	28.6
477.28134	2.1
481.28024	29.9
501.31134	2.0
538.40997	1.8
539.33429	6.4
543.36566	4.5
556.36902	2.8
557.34650	40.7
558.35394	1.7
574.34381	1.8
575.35718	100.0
576.35577	2.6
935.41309	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	933.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.0
67.05501	13.5
69.03425	9.3
69.07063	6.7
69.46300	3.3
71.01350	1.1
71.04983	1.6
71.08638	0.4
73.02913	10.0
79.05485	10.2
81.03411	5.2
81.06634	0.3
81.07048	14.2
83.04976	1.4
83.08607	4.1
85.02899	22.4
85.06529	0.6
85.36250	0.3
87.04471	0.8
91.03947	10.9
91.05481	7.8
91.06061	0.4
93.03372	0.4
93.07041	10.6
95.04969	2.4
95.08601	11.0
96.08919	0.4
97.02887	18.4
97.06527	1.9
97.10149	2.0
99.04432	2.6
101.02371	2.9
103.03928	0.7
103.05493	0.5
105.07029	8.6
107.04964	1.1
107.08587	7.0
109.02883	1.7
109.06501	1.2
109.10154	5.9
111.08078	1.0
113.90559	0.4
115.03922	1.3
115.05424	0.9
117.07015	5.7
119.08575	9.5
121.06528	0.7
121.10136	4.3
123.08082	1.0
123.11720	1.3
125.09605	0.5
127.03906	5.9
128.06221	1.8
129.05502	0.8
129.06990	7.3
131.08565	8.5
132.09280	0.4
133.06541	0.4
133.10121	6.8
135.08052	0.5
135.11679	3.4
137.09654	0.4
137.13193	0.4
141.06963	4.2
142.07791	1.9
143.08551	8.7
144.09131	0.6
145.04939	2.9
145.05922	0.3
145.06546	0.5
145.10114	8.1
147.11688	2.9
149.09615	0.7
149.13254	1.3
153.06976	1.3
154.07777	0.9
155.08548	7.2
156.09303	1.1
157.08846	0.3
157.10120	8.6
159.11697	5.5
161.09637	0.4
161.13254	1.9
163.06029	1.6
163.11168	0.5
165.06981	1.0
167.08551	4.2
168.09328	1.1
169.10114	8.7
170.10896	0.4
171.08118	0.5
171.11678	6.6
173.09529	0.4
173.13277	3.2
175.14804	1.1
179.08525	2.1
180.09261	0.6
181.10112	6.1
182.10956	1.3
183.11679	9.2
183.13208	0.7
184.12331	0.4
185.13269	5.4
187.11174	0.5
187.14789	2.3
189.16406	0.7
191.08549	0.4
193.10127	2.0
194.10942	0.6
195.11711	6.1
196.12473	0.9
197.09502	0.5
197.13239	6.9
198.14041	0.5
199.11250	0.7
199.13144	0.6
199.14824	3.5
201.16376	1.1
204.09271	0.4
205.10146	0.8
206.10960	0.5
207.11668	2.4
208.12460	0.8
209.13252	5.1
211.14833	4.2
213.12900	0.5
213.16376	2.3
215.17937	0.8
219.11671	0.8
220.12370	0.6
221.13300	2.0
223.14859	4.2
225.16359	3.5
227.18048	1.9
233.13208	0.9
235.14857	1.8
237.16383	2.3
239.17969	2.2
241.19550	1.2
247.14883	0.7
249.16298	1.2
251.17966	1.5
253.15857	0.5
253.19577	1.6
255.20990	0.4
257.19165	0.4
261.16446	1.0
263.17981	0.7
265.19534	0.9
267.21094	0.9
269.18802	0.5
277.19577	0.5
277.25708	0.4
279.20865	0.5
285.22144	0.4
295.20621	0.7
297.22144	0.5
307.20517	0.7
309.22104	0.8
313.21796	0.4
323.23700	0.9
335.25986	0.9
336.25943	0.6
337.25314	1.1
349.25311	0.8
351.26862	1.0
353.24762	0.5
363.27139	0.5
377.28442	0.7
389.28445	0.5
395.29672	0.5
429.30563	0.4
435.32443	0.7
447.32321	0.8
449.33878	0.6
473.33014	0.5
479.35126	0.5
487.34985	0.5
489.41260	0.5
499.39200	1.0
501.35770	0.8
513.35968	0.6
515.38159	0.9
517.40369	4.5
521.36377	0.5
527.37317	0.8
535.41632	2.3
539.37292	1.5
541.38763	1.0
591.44037	4.5
607.43744	2.9
608.43781	0.6
609.45093	100.0
610.45526	3.1
621.44916	1.7
633.45044	1.4
643.43152	0.5
651.45673	2.1
663.46008	0.5
675.46063	1.1
699.46051	0.8
717.47070	1.6
735.48035	2.4
753.49457	3.0
771.50348	27.6
772.50354	0.9
915.52979	0.6
933.55695	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	932.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	4.8
65.36433	0.7
67.05499	67.7
69.03428	5.3
69.07066	21.8
69.07445	1.2
69.26903	9.1
71.04985	5.1
71.05306	0.7
73.02932	1.2
73.06541	1.9
77.03923	1.6
79.05489	83.7
81.02965	1.5
81.03417	15.3
81.07051	69.3
83.04978	19.2
83.08609	12.1
85.02907	7.9
85.06534	5.0
87.04488	1.4
91.03957	3.1
91.05476	72.9
93.07038	84.3
95.04961	28.3
95.08600	37.7
96.67111	0.8
97.02895	6.8
97.06525	15.7
97.10173	9.3
99.04461	0.9
99.08079	2.2
101.06017	1.0
103.05469	1.8
105.04530	2.2
105.07024	54.9
107.04274	1.4
107.04955	14.5
107.08589	36.1
109.02879	2.3
109.06515	10.4
109.10150	10.2
111.04422	1.2
111.08094	3.4
113.09664	1.2
115.05460	2.6
117.07016	16.8
119.04916	0.8
119.08574	37.9
121.06505	5.9
121.10136	15.1
123.08054	7.7
123.11745	2.7
125.05997	1.0
125.08794	1.1
125.09602	7.3
127.03951	2.5
127.07550	1.3
128.06207	3.1
129.05504	1.3
129.06995	18.5
129.07898	1.3
130.07806	1.9
131.08571	14.9
133.06532	2.4
133.10126	24.7
135.08075	3.8
135.11679	11.8
137.09596	1.6
141.06979	1.7
142.07814	1.6
143.08548	11.4
145.06464	1.1
145.10118	22.6
147.08017	3.9
147.11676	35.9
149.09610	12.3
149.13264	7.2
151.11174	2.6
155.08536	2.2
156.09349	1.0
157.10114	4.5
159.11696	12.9
161.09610	4.4
161.13251	12.1
163.11151	7.3
165.09079	1.1
165.12778	0.8
169.10117	3.0
171.10258	1.1
171.11662	25.7
173.04482	2.7
173.09679	0.8
173.11925	1.1
173.13106	4.0
175.11182	0.9
177.12733	4.8
179.14288	2.5
179.27550	0.9
181.12216	1.5
183.11652	1.8
185.13321	1.9
187.11182	1.6
187.14807	0.8
189.11185	2.5
189.12689	9.6
195.13820	2.3
197.13268	2.6
199.14745	0.8
207.13794	25.2
211.14813	1.2
225.14886	1.9
227.12764	10.3
229.14198	1.4
229.19522	1.9
239.17915	1.7
247.20604	1.6
253.14447	3.7
255.15865	3.4
257.19049	8.0
259.20764	1.0
269.17435	11.8
275.20053	30.3
279.15836	1.5
281.17456	79.7
283.15540	1.1
291.19513	1.5
293.21149	2.6
299.19925	0.9
321.24268	1.0
331.22607	2.6
349.23727	18.8
367.24759	2.1
377.23221	1.8
392.17691	1.0
413.21603	0.9
435.27286	6.8
451.26846	4.9
457.29489	2.0
459.30823	1.8
461.28973	23.6
463.31345	0.9
475.30539	100.0
476.30902	1.8
499.30460	0.9
515.33588	2.5
527.38092	1.2
537.35388	2.7
555.36804	62.5
573.38147	9.1
575.50153	0.9
595.31012	1.5
619.34631	5.0
699.41333	1.2
717.41266	2.0
816.09326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.1
66.42945	1.0
67.05499	27.2
69.03429	4.9
69.07063	15.0
69.32024	0.9
69.35194	0.9
71.04996	1.9
79.05486	36.5
80.05779	1.0
81.03412	6.8
81.07053	23.2
83.04976	9.3
83.08625	6.4
85.02892	2.7
85.06536	2.2
91.03960	1.5
91.05474	29.9
93.07035	32.0
95.04378	1.1
95.04957	11.9
95.08604	17.1
97.02892	5.8
97.06499	3.2
97.10173	6.1
103.05463	2.1
105.07025	23.1
107.04939	6.8
107.08588	11.5
109.02783	1.3
109.06505	2.9
109.10134	5.5
111.08099	1.8
117.07013	7.7
119.04877	1.3
119.08575	15.3
121.06486	3.5
121.10134	4.7
123.08058	4.5
125.09577	4.4
127.03839	1.0
129.06990	9.3
131.08562	6.5
133.06473	2.1
133.10106	8.0
134.32941	0.9
135.08051	2.4
135.11707	1.7
137.09563	1.6
143.08517	4.5
145.06482	1.2
145.10112	6.7
147.08020	5.1
147.11667	15.1
149.09604	1.4
157.10078	1.9
159.11667	2.1
161.09631	3.2
161.13237	4.3
169.10045	1.2
170.71904	0.9
171.11673	10.5
175.11197	2.0
177.12738	2.0
189.11215	2.0
189.12753	5.3
205.12373	1.1
207.13776	10.8
223.13275	9.2
225.14816	1.8
227.12802	3.0
249.14854	3.3
253.14427	1.4
263.16324	1.1
267.16064	1.5
267.18951	0.9
268.41403	0.9
273.18484	8.8
279.15762	1.3
279.69336	0.9
281.17450	40.5
291.19513	54.0
292.19644	1.3
347.22171	2.5
359.85672	1.1
365.19019	1.4
365.23221	20.6
451.26785	1.0
473.28949	4.2
477.28769	1.4
491.29745	1.3
553.35358	4.4
571.36249	100.0
572.36481	3.6
589.36176	1.4
703.59039	1.1
749.17053	1.0
877.45105	1.3
877.63129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
64.50725	0.3
67.05506	2.8
69.03431	3.0
69.07064	0.7
71.01359	0.7
71.04983	2.0
71.60194	0.5
73.02906	3.3
79.05491	1.7
81.03428	1.6
81.07056	3.5
83.04993	0.5
83.08630	0.5
85.02903	4.5
85.06544	0.5
87.04453	0.5
87.54312	0.3
91.03953	3.1
91.05479	1.9
93.07045	2.2
95.04978	0.4
95.08620	1.3
97.02892	5.5
97.06496	0.3
99.04465	1.0
101.02384	1.2
105.07047	0.9
107.08607	1.1
109.02896	0.8
109.06534	0.4
109.10154	0.6
115.03945	0.4
117.07045	0.4
120.75527	0.3
121.01070	0.3
121.10153	0.8
123.11726	0.7
127.03914	1.6
131.08575	0.4
133.10143	1.3
135.11696	0.5
136.40654	0.3
145.05054	0.4
149.13260	0.5
151.11174	0.4
159.11711	0.6
185.04245	0.7
187.13361	0.5
203.05310	0.9
208.09695	0.3
230.56065	0.3
243.08405	2.2
257.17502	0.4
267.15808	0.7
306.43481	0.3
310.73599	0.3
316.56204	0.3
323.18411	0.6
335.25708	0.7
347.09485	1.9
363.09177	0.5
365.10846	1.0
369.55634	0.3
400.86661	0.3
405.13614	5.5
405.18524	0.4
441.21030	0.4
485.23535	6.3
519.29211	3.6
647.28906	7.1
681.34393	3.0
763.45856	1.3
863.18634	0.4
925.51239	100.0
926.51447	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	925.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	3.7
69.03430	3.8
69.07072	0.9
69.49231	4.1
69.49596	0.7
71.01362	0.6
71.04992	1.3
73.02919	3.7
79.05501	2.3
79.64706	0.5
81.03426	1.8
81.07040	3.8
83.04970	0.5
85.02897	5.7
85.30505	0.5
87.04519	0.6
91.03940	3.4
91.05470	2.5
93.06529	0.5
93.07005	2.3
95.04929	0.8
95.08627	1.9
97.02883	6.4
97.03417	0.5
99.04458	1.0
101.02401	2.1
105.07049	1.3
107.08595	1.5
109.02866	0.8
109.10181	0.9
115.03937	0.7
119.08608	1.1
121.10140	1.1
123.11787	0.5
127.03969	1.5
133.10194	0.8
135.11661	1.0
147.04427	0.8
158.24712	0.4
162.49564	0.5
180.02747	0.5
185.04198	0.7
200.84325	0.5
221.21970	0.5
243.08572	1.7
248.80243	0.5
263.34280	0.5
267.15796	1.1
304.42444	0.5
335.25867	0.7
347.09650	2.1
365.10474	0.9
405.13757	5.1
485.23450	4.4
519.29382	5.1
647.28821	3.8
673.91272	0.7
681.34363	7.1
763.46686	1.0
925.51233	100.0
926.51709	6.5
943.82776	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
64.21252	0.4
67.05490	2.1
69.03426	3.4
69.07051	0.7
69.68685	3.0
71.04996	1.6
73.02921	3.4
74.80970	0.4
74.91019	0.4
79.05508	2.5
81.03420	5.1
81.07055	2.7
83.04987	0.6
83.08615	1.1
85.02901	5.0
85.06550	0.6
87.04497	0.6
91.03962	2.2
91.05485	3.0
93.07068	2.2
95.04967	2.0
95.08620	1.2
97.02885	5.0
97.06541	0.6
99.04484	0.6
101.02407	1.7
103.03944	0.4
105.07055	1.9
107.04996	0.8
107.08600	1.1
109.02870	1.1
109.06631	0.3
109.10159	0.6
111.08130	0.6
119.08584	1.4
121.10131	2.1
127.03920	2.0
129.07002	0.9
131.08623	1.3
133.10173	1.6
137.05954	0.8
147.04419	1.3
147.08096	0.4
147.11748	1.6
149.09618	2.3
153.01845	0.6
153.82050	0.4
157.10159	1.5
161.06058	0.4
163.07597	0.5
167.07085	0.7
169.70955	0.4
170.21194	0.4
175.11224	1.2
185.04152	0.9
187.07570	0.5
193.12276	2.2
225.14830	0.8
243.08566	1.7
259.07901	0.5
260.86496	0.4
267.16010	1.0
269.12521	0.8
283.15176	3.7
285.10422	0.7
295.98444	0.5
339.18054	1.4
340.13754	0.4
347.09320	2.1
347.46762	0.5
363.09412	0.5
365.10760	0.7
405.13617	6.2
441.21521	0.5
460.28528	0.4
465.89944	0.5
469.20178	0.5
501.23041	16.7
501.30252	0.9
599.33563	0.7
663.28400	15.0
664.29010	0.5
700.19745	0.5
761.40112	2.2
785.33136	0.4
923.44543	100.0
924.45160	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	921.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.3
67.05500	5.5
69.03427	3.0
69.07064	1.8
71.01374	0.6
71.05014	0.4
73.02914	3.0
79.05484	6.2
80.05818	0.4
81.03427	2.3
81.07049	5.4
82.07394	0.6
83.04978	1.0
83.08614	1.4
85.02899	5.5
85.03363	0.5
87.04452	0.4
89.37084	0.3
91.03948	3.0
91.05470	5.2
91.98511	0.3
93.07036	6.5
95.04948	1.6
95.08616	3.2
96.08911	0.4
97.02885	5.4
97.06538	0.9
97.10204	0.3
99.04456	0.9
101.02368	1.6
104.45033	0.3
105.07021	4.5
107.04962	0.8
107.08598	2.8
109.02903	0.7
109.06538	0.5
109.10164	1.2
111.04465	0.4
111.08076	0.3
115.03940	0.3
115.05457	0.5
116.98658	0.3
117.07046	1.0
119.08571	2.9
120.08921	0.4
121.06538	0.4
121.10152	1.8
123.08101	0.5
127.03943	1.4
129.05466	0.5
129.07033	1.2
131.08577	1.6
133.10123	2.5
135.11719	1.2
143.08636	0.3
145.05003	0.4
145.10139	1.2
147.11685	2.3
149.13272	1.0
157.10153	0.6
159.11708	1.1
161.09579	0.3
161.13303	0.9
163.11220	0.4
171.03375	0.4
171.11699	1.4
173.13326	0.4
174.13620	0.4
185.04272	0.9
195.13928	0.4
201.03786	0.5
203.05373	0.9
243.08426	2.2
247.13130	0.7
259.20636	1.3
267.09091	0.5
267.15982	0.7
269.17453	1.5
270.17899	0.8
281.10733	1.0
281.17453	0.4
283.14246	0.4
284.15591	0.3
299.11755	1.1
301.09064	0.8
301.16605	0.4
303.15930	0.5
315.10516	0.3
319.10123	0.4
322.11902	1.1
333.24161	0.6
335.25888	1.1
336.26242	0.5
347.09476	2.6
349.23697	0.4
363.09158	1.2
365.10352	0.7
373.00769	0.4
405.13751	5.1
460.22147	2.6
460.72485	2.0
463.14185	1.3
463.30383	0.4
464.31244	0.6
465.20947	7.0
500.36783	0.4
528.37415	0.5
535.28601	2.9
537.23999	0.4
543.37164	0.4
544.37073	0.8
545.38849	0.4
546.39673	0.4
561.37378	0.5
562.38336	1.1
627.26044	6.9
657.27344	0.5
697.34033	3.0
699.28400	1.0
727.31488	0.5
759.42981	1.2
783.37732	0.4
921.48096	100.0
922.48383	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	920.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.5
67.05500	61.4
69.03411	3.5
69.07068	11.5
69.43207	5.3
71.04990	21.6
71.08596	0.5
73.02921	3.2
73.06548	0.7
75.18938	0.7
75.22848	0.5
77.03930	0.6
79.05489	33.7
81.03416	2.2
81.07051	92.2
83.04977	3.8
83.08612	8.1
85.02903	11.5
85.06538	7.7
87.04474	0.8
91.03952	6.2
91.04893	1.1
91.05473	28.6
93.07037	40.8
95.04968	5.7
95.08599	28.7
96.04472	0.6
97.02886	6.2
97.06541	5.1
97.10174	3.0
99.04469	1.6
99.08101	1.7
105.07017	15.2
107.04929	0.8
107.08587	22.6
109.02872	0.7
109.06519	2.5
109.10149	13.2
111.08069	2.6
111.54901	0.5
113.06030	0.6
113.09657	0.6
117.07025	4.4
119.08567	10.1
121.10136	15.7
123.08096	1.3
123.11705	14.2
123.12574	0.9
125.09623	0.8
127.03875	2.9
129.07004	0.9
131.08540	9.0
133.10121	20.3
135.08058	1.0
135.11676	10.6
137.09665	0.8
137.13225	0.7
143.08557	1.1
145.04967	3.2
145.10130	5.0
147.04436	1.1
147.11668	3.8
149.09593	0.6
149.13258	7.8
151.11186	5.6
153.12738	1.7
157.10173	1.0
159.11681	6.6
161.13252	3.7
163.03908	0.6
163.05989	3.9
163.14804	1.5
169.12325	1.0
171.11708	2.0
173.13255	3.6
175.14865	0.9
177.12697	2.6
179.14308	0.7
183.13799	3.2
185.13216	0.7
187.13298	5.1
187.14883	2.0
195.13818	2.2
199.15068	0.6
201.14752	1.1
201.16440	1.0
226.71953	0.7
227.16302	3.3
233.90866	0.6
243.16006	1.2
243.20976	1.0
253.17896	1.1
257.17401	2.7
259.20642	1.4
261.22250	2.8
269.17453	4.8
301.20050	22.5
313.16550	0.6
317.24734	1.1
333.24277	1.2
335.25787	19.3
391.80124	0.6
393.31396	1.0
411.32761	2.2
425.42700	0.6
437.34006	2.2
445.24411	1.1
455.35175	1.1
485.36255	4.5
503.37283	84.5
504.37567	2.4
511.37393	2.7
517.38928	3.6
529.38904	29.8
530.39288	1.4
547.39575	1.3
561.41461	100.0
562.42053	2.8
705.45929	1.0
920.47693	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	920.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.9
67.05501	52.5
69.03419	2.5
69.07066	9.3
71.04989	15.6
73.02911	2.2
73.06548	0.5
76.84556	0.4
79.05488	30.5
81.03423	1.9
81.07051	79.3
82.07387	0.5
83.04985	3.6
83.08618	6.2
85.02901	9.0
85.06541	6.3
85.07024	0.8
91.03952	4.7
91.05473	23.7
93.07036	33.8
93.79729	0.4
95.04965	4.5
95.08600	25.1
96.04457	0.6
97.02876	5.4
97.06518	3.1
97.10159	2.1
99.04443	0.9
99.08112	0.9
105.04505	0.6
105.07027	14.4
107.07854	1.0
107.08586	20.0
109.02890	0.8
109.06512	2.0
109.10150	12.0
111.08067	1.7
115.03883	0.6
115.05429	0.6
117.06996	4.5
119.08574	8.0
121.10135	14.4
123.08089	1.0
123.11699	12.5
126.38921	0.4
127.03895	2.0
129.07028	0.7
131.08551	7.1
133.10121	15.4
135.11688	9.4
139.11150	0.6
143.08556	1.2
145.04938	2.5
145.10115	3.8
147.11679	3.2
149.13264	5.3
151.11171	5.2
153.12714	0.5
157.10144	0.9
159.11682	5.5
161.13274	1.8
163.06023	2.4
163.14748	1.0
169.12268	1.0
171.11676	0.7
173.13214	2.0
175.14853	0.9
177.12753	2.4
179.14381	0.5
183.13806	1.9
185.13231	0.9
187.13301	2.4
187.14830	1.4
195.13849	1.0
227.16478	1.3
243.16028	0.5
243.21100	0.8
257.17624	0.9
259.20438	0.6
261.22177	2.2
269.17487	5.5
285.17090	0.6
299.23981	0.5
301.20050	9.5
317.24789	0.8
335.25781	21.9
363.25229	0.6
411.32672	1.1
429.33783	0.6
437.34354	1.2
445.24414	0.6
485.36234	2.4
503.37277	69.9
504.37683	3.4
511.37961	0.8
517.38672	3.1
529.38873	16.1
530.38983	0.6
547.40503	0.8
561.41455	100.0
562.41760	4.0
647.41077	0.8
691.44086	0.7
705.45490	1.7
920.49231	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97812	2.0
65.03923	5.0
67.05499	66.2
69.03428	9.4
69.07062	22.1
69.93541	6.6
69.93951	4.2
71.04975	7.1
73.02908	4.2
79.05486	77.9
81.03408	67.3
81.07049	78.1
83.04978	20.1
83.08613	27.4
85.02896	38.4
85.06515	4.2
91.03936	8.8
91.05473	96.1
93.07033	76.4
93.07627	4.0
95.04955	31.2
95.08594	38.7
97.02876	10.3
97.06544	10.6
97.07051	1.9
97.10142	6.3
99.08067	3.5
103.05523	2.9
105.07023	92.7
106.07396	2.1
107.04952	12.8
107.08581	37.7
109.06506	9.2
109.10130	18.9
111.04432	3.5
111.08085	11.4
113.05995	3.5
115.05408	3.4
117.07011	21.1
119.08565	61.6
121.06470	3.3
121.10132	31.7
123.08053	7.9
123.11674	3.6
125.09610	5.4
127.03904	4.2
128.06192	4.8
129.07002	26.5
131.08548	39.1
133.10124	53.5
135.07997	3.6
135.11684	20.0
137.09637	2.3
141.06963	3.1
142.07796	2.6
143.08543	11.5
145.04926	2.4
145.10109	32.2
147.08020	5.6
147.11682	44.8
149.09602	10.9
149.13287	9.6
153.30173	1.9
155.08537	7.4
157.10104	29.0
158.49098	1.8
159.11693	20.3
161.09703	2.4
161.13268	23.7
163.11162	4.5
165.12782	3.5
167.08540	2.8
169.10123	6.3
171.11674	16.5
173.13239	9.6
175.11186	14.0
175.14806	8.4
179.08607	2.5
183.11589	3.8
185.13223	8.7
187.14809	4.4
193.12227	40.3
195.13715	2.4
197.13313	3.0
199.14801	8.1
208.27562	2.1
211.13240	55.7
213.16393	3.1
227.12746	8.5
229.14241	2.0
231.21037	5.2
241.19463	23.8
248.22009	2.1
257.19019	5.4
259.20557	58.4
267.15869	22.6
269.17294	9.3
275.20010	6.8
277.21548	2.4
283.15329	6.0
285.16919	63.3
297.22128	3.3
315.22955	9.1
333.24200	47.7
345.23856	1.8
347.15289	2.7
349.23578	4.0
351.25504	2.4
421.25629	2.4
433.30896	8.0
435.27356	2.3
451.32040	8.0
463.30521	4.7
469.33182	4.7
507.34677	3.4
515.37189	5.1
525.35730	41.1
543.36755	100.0
544.36841	3.3
561.37469	6.1
651.38147	4.6
687.40637	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	920.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	2.7
66.37988	1.4
67.05502	50.8
69.03427	3.3
69.07062	16.1
69.38506	4.1
69.38921	11.1
71.04975	6.2
73.02894	4.4
79.05489	55.7
81.03410	44.8
81.07050	54.5
83.04974	14.9
83.08617	17.3
85.02901	27.0
91.03924	6.6
91.05475	64.9
93.07038	56.6
95.04955	24.1
95.08600	30.1
97.02878	7.2
97.06527	6.8
97.10168	6.9
99.08073	3.0
103.05466	2.3
104.93009	1.6
105.07023	66.4
107.04949	7.2
107.08582	32.9
109.06496	4.2
109.10140	12.5
111.04420	2.1
111.08075	8.8
115.05402	2.5
117.07000	19.4
119.08572	54.3
121.06483	3.5
121.10130	22.6
121.37628	1.9
123.08060	3.3
123.11681	2.7
123.58080	1.6
125.09639	4.8
127.03916	1.9
128.06181	3.5
129.07005	20.8
131.08556	34.0
133.06477	2.5
133.10136	44.2
135.08057	2.9
135.11673	14.3
137.09589	3.1
141.06921	2.0
142.07816	3.5
143.08612	10.1
145.05006	1.6
145.06493	1.6
145.10115	20.3
147.08026	2.3
147.10510	2.4
147.11671	43.2
148.02333	1.9
148.03510	1.9
149.09602	7.3
149.13231	11.1
155.08563	3.6
157.10133	23.0
159.11667	19.3
161.09650	1.9
161.13251	18.8
163.06021	2.1
163.11139	3.2
165.12701	2.9
169.10080	4.0
171.11639	13.1
173.13232	9.5
175.11186	11.3
175.14821	7.1
177.12724	1.7
181.10060	2.1
183.11650	5.4
185.13214	9.1
187.14790	2.6
189.11168	2.1
193.12213	23.9
195.11745	2.3
199.14833	6.4
211.13248	30.4
217.16028	2.0
221.13315	1.8
227.12816	4.5
229.14406	2.5
231.21022	4.4
241.19513	24.7
257.19107	3.6
259.20578	61.2
261.22195	1.8
267.16016	11.8
269.17444	8.1
273.77594	2.1
275.20035	4.8
277.21564	2.2
283.15369	3.1
285.13956	3.3
285.16937	36.1
291.19879	2.1
297.22101	1.9
299.23489	2.2
315.23151	6.1
333.24207	48.6
338.52536	1.6
349.23566	4.1
369.23972	1.7
395.77853	1.8
405.32196	2.1
415.29459	1.8
433.31094	7.9
449.29291	2.3
451.31860	5.8
463.30533	5.8
469.33020	4.4
507.34402	3.4
515.37097	4.8
525.35626	31.8
526.36255	3.1
543.36798	100.0
561.37366	7.0
651.38605	3.0
669.39642	2.4
687.40356	2.0
705.40564	2.0
904.14783	2.0
920.51001	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	920.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.3
66.33251	1.1
67.05501	55.0
69.03432	8.1
69.07060	14.4
69.49103	5.2
69.49516	3.5
71.04972	4.1
73.02911	6.1
73.62435	1.0
79.05489	42.5
80.06261	2.0
81.03416	15.1
81.06570	2.6
81.07050	50.2
82.04198	2.4
83.04976	9.7
83.08611	10.6
85.02892	14.1
85.06532	2.1
91.03950	9.7
91.04891	1.7
91.05476	35.7
93.07037	46.0
94.07362	1.5
95.04961	15.6
95.08597	33.7
97.02887	9.3
97.06511	5.5
97.10161	10.2
98.07295	2.6
105.04477	1.6
105.07027	21.4
107.04963	3.9
107.08585	28.8
109.02888	1.3
109.06509	4.2
109.10142	18.2
111.08081	4.5
116.04715	7.6
116.05446	1.1
117.07007	10.0
119.08583	16.7
121.06533	2.8
121.10130	21.1
123.08057	4.8
123.11700	4.7
125.09628	10.4
127.03933	3.9
127.11182	2.1
129.05469	22.0
129.07007	4.2
131.08553	13.1
133.10118	15.2
135.08037	2.7
135.11678	13.9
137.09627	4.2
143.07024	3.8
145.04956	2.7
145.10118	11.8
147.07983	1.7
147.11694	11.2
149.09630	3.4
149.13243	7.4
151.11137	2.9
157.08595	9.3
157.10123	5.8
159.11664	7.9
161.13266	3.6
163.05994	4.6
163.11182	5.1
163.14828	3.3
165.12691	1.7
171.10156	3.4
171.11600	2.4
173.09650	2.5
173.11853	2.0
173.13266	4.7
175.11269	2.6
175.14877	2.4
181.12234	2.3
183.11746	1.5
185.11787	1.5
185.13303	2.8
187.14815	2.2
189.11205	5.3
191.14378	1.6
193.12218	8.3
197.13220	1.4
199.13309	2.9
208.07909	1.5
209.11699	2.2
211.13268	4.0
227.12665	8.3
229.14243	4.2
243.21104	4.0
259.20547	2.6
261.22128	11.3
267.15906	8.3
277.21591	3.7
283.15424	7.0
285.17032	1.4
301.16443	55.3
315.23203	1.8
317.24710	2.6
335.25763	66.9
336.26181	2.1
351.25571	1.8
420.88855	1.1
433.30542	1.8
451.32047	1.9
460.35272	1.3
469.33197	1.2
503.37537	1.4
525.35974	1.7
527.37354	7.8
543.36676	12.1
545.38171	2.5
546.38348	1.5
561.37793	100.0
562.37817	2.3
840.45911	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	4.1
67.05502	63.0
69.03434	5.6
69.07066	30.4
69.07365	0.5
69.07449	1.1
69.23029	0.9
71.01356	0.9
71.04987	6.5
71.60316	1.0
71.60659	1.1
73.02920	2.3
79.05489	47.7
81.03420	9.1
81.07052	82.9
82.07413	1.0
83.04984	9.2
83.08617	17.7
85.02901	9.6
85.06534	4.4
91.03959	3.5
91.05472	36.1
93.07040	61.7
95.04961	11.2
95.08601	28.9
97.02877	5.6
97.06525	17.1
97.10158	7.2
99.04448	1.4
99.08084	4.4
105.07029	25.1
107.04934	5.9
107.07847	2.1
107.08585	40.4
109.02872	1.8
109.06496	4.9
109.10159	12.5
111.04460	1.2
111.08050	8.6
111.11752	1.2
113.06007	0.9
115.05454	0.9
117.07011	13.8
118.48454	0.9
119.08571	17.1
121.05743	0.9
121.06466	4.5
121.10134	21.0
123.08076	3.0
123.11697	3.9
125.09628	4.9
127.03956	4.9
129.06995	3.7
131.08559	16.8
133.06458	0.9
133.09113	1.3
133.10121	19.3
135.08055	4.4
135.11691	14.7
137.09569	1.0
143.08548	3.5
144.09315	1.2
145.04936	2.5
145.10132	11.3
147.11697	8.2
149.09586	8.5
149.13252	28.2
151.11194	2.1
155.08540	1.8
157.06447	1.0
157.10127	4.4
159.11681	20.0
161.13258	4.3
163.06049	1.4
163.11145	5.6
167.14272	1.1
171.11711	2.7
173.04498	2.0
173.11876	1.1
173.13268	4.2
175.11143	1.4
177.12758	6.6
179.14247	2.1
183.11740	1.9
185.13144	2.0
187.11159	1.0
189.11295	1.9
195.13785	13.3
195.15454	1.2
197.13341	1.1
211.13307	1.1
213.14819	2.7
227.12784	9.3
229.14392	1.8
229.19434	1.4
239.17860	1.6
247.20702	1.1
251.16470	1.6
255.15912	3.4
257.19067	9.2
259.20508	2.4
267.15894	2.3
269.17459	96.4
270.17776	1.1
275.20053	26.3
285.16962	3.5
293.21069	2.3
331.22696	2.3
333.24240	2.6
349.23688	22.1
365.23193	1.7
367.24698	3.1
413.21759	1.7
423.27347	5.5
423.32358	1.0
433.30801	1.1
439.27118	6.1
445.29544	2.1
447.31067	2.7
449.28973	22.2
451.31912	1.6
463.30536	100.0
464.30768	1.6
503.33548	1.3
515.37097	1.4
517.35272	1.9
525.35504	3.7
543.36786	72.1
544.37347	2.4
561.37909	14.4
583.31396	1.6
607.34595	4.0
687.40222	1.5
705.42279	1.4
827.89697	1.1
921.44788	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	5.0
66.98394	1.3
67.05499	85.1
68.76491	1.2
69.03428	11.2
69.07066	30.6
71.04995	7.0
72.08165	1.7
73.02906	7.3
79.05488	69.3
81.03415	16.6
81.07050	100.0
82.04200	1.3
83.04973	15.4
83.08613	21.1
83.71325	1.4
85.02898	23.9
85.06531	5.2
91.03942	10.1
91.05474	65.4
93.07034	81.5
94.04165	1.8
95.04965	18.7
95.08596	40.8
97.02880	13.8
97.06516	12.5
97.10139	4.2
99.04457	2.7
99.08080	5.5
103.05473	2.5
105.04498	2.2
105.07020	43.4
107.04919	7.5
107.07861	2.2
107.08587	41.2
107.95255	1.4
109.06492	6.1
109.09441	2.3
109.10141	18.6
111.04446	3.7
111.08086	8.1
113.09574	1.6
115.03894	1.9
115.05474	2.4
116.18420	1.2
117.07013	25.2
119.07780	2.4
119.08578	30.1
121.06500	6.0
121.09311	1.9
121.10133	24.1
123.08041	4.6
123.11712	6.8
125.09638	3.8
127.03890	4.8
128.06219	2.2
129.05472	5.3
129.06976	9.2
131.08553	28.1
133.06415	2.2
133.10124	37.6
135.08009	6.0
135.11682	16.7
136.85017	1.4
137.09604	3.0
141.06990	2.0
143.08600	8.7
145.04927	6.6
145.10107	17.8
147.11674	19.4
149.09610	8.2
149.13254	23.2
151.11168	4.6
155.08542	3.0
157.10150	8.7
159.11685	21.8
161.09593	1.3
161.13222	11.1
163.06004	2.8
163.11156	7.0
165.12677	1.8
169.10124	4.2
171.11661	9.5
173.09735	1.5
173.13280	6.8
175.11154	2.3
175.14825	2.8
177.12688	7.0
179.14281	1.7
181.12294	2.0
183.11740	2.3
185.11722	2.5
185.13274	4.2
187.14809	3.5
189.12720	3.3
191.10780	1.9
195.13809	19.6
197.13399	1.5
199.14854	2.8
201.16301	1.9
207.13733	2.6
209.11617	3.3
209.13335	1.8
227.12785	4.8
229.47559	1.9
241.19484	6.6
243.21049	1.8
251.16341	1.7
253.14230	2.4
257.18988	4.9
259.20560	23.6
261.22089	4.2
265.14413	1.6
267.15872	2.7
269.17450	73.6
270.18076	1.6
275.20001	13.9
281.17560	5.4
283.15393	4.6
301.16486	8.0
315.23138	3.4
333.24173	20.7
335.25821	7.9
349.23718	12.3
423.32788	2.5
441.33670	1.5
446.30203	7.5
447.30756	2.0
449.29144	1.6
463.30557	46.6
475.30493	11.1
515.37299	8.4
525.35437	3.1
527.37341	24.3
533.38214	2.0
543.36853	17.3
545.38470	6.7
561.37573	6.6
607.34357	2.2
920.46808	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	920.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.1
67.05497	49.2
69.03411	5.4
69.07064	14.9
70.50259	4.9
71.01388	1.3
71.04971	4.6
73.02911	7.2
75.48798	1.4
79.05486	39.9
81.03417	14.1
81.07048	50.6
82.04175	4.1
83.04964	8.7
83.08614	13.6
85.02892	15.4
85.06509	3.1
85.88408	1.4
87.04449	1.9
91.03941	6.0
91.05469	26.9
93.07037	39.4
94.07797	1.9
95.04952	14.1
95.08599	31.4
97.02879	13.4
97.06501	5.3
97.10155	13.0
98.07291	3.8
99.08127	2.2
101.05936	1.3
104.36911	1.7
105.04474	1.9
105.07020	22.8
107.04936	4.3
107.08598	25.4
109.06491	3.2
109.10154	17.3
111.04486	1.9
111.08070	4.6
116.04709	11.5
117.07006	10.0
119.08569	14.3
121.06480	2.2
121.10143	18.5
123.08038	5.1
123.11704	4.7
125.09629	15.2
127.03864	3.9
129.05463	31.1
129.07002	4.4
131.08551	10.5
133.10123	16.5
135.08022	2.5
135.11667	13.8
137.09599	3.8
143.07045	6.7
143.08516	1.7
145.04929	4.2
145.10139	11.1
147.11633	10.9
149.09560	3.2
149.13222	6.4
153.12749	1.7
157.08591	12.7
157.10081	7.4
159.11682	7.8
161.13235	5.5
163.05965	4.3
163.11160	4.9
163.14847	1.7
171.10204	3.3
171.11543	2.5
173.11809	2.3
173.13232	5.6
175.11185	4.0
175.14786	2.2
177.16295	2.0
183.11646	1.8
185.13217	2.4
187.14801	2.2
189.11195	6.9
191.10556	1.5
193.12218	11.1
199.13214	3.7
199.14879	1.7
200.14011	3.3
209.11710	1.6
211.13211	5.6
227.12787	13.2
229.14215	2.8
233.92313	1.4
241.19441	2.1
243.21024	2.3
259.20544	3.2
261.22037	12.3
267.15854	8.1
274.61511	1.3
277.21570	5.6
283.15326	4.3
284.16043	1.4
285.17029	2.5
294.33838	1.5
301.16428	100.0
302.16769	1.6
315.23080	2.5
317.24805	3.2
335.25797	62.2
335.29874	3.2
338.10840	1.7
358.26694	1.4
503.37408	2.9
527.37213	7.0
529.38257	1.6
543.36700	3.9
545.38135	3.3
561.37695	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.523
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	1.0
69.03423	2.5
71.04992	1.3
71.08630	0.8
71.59846	0.8
73.02907	2.8
75.10583	0.6
79.05500	0.8
80.64646	0.4
81.03399	2.5
81.07075	1.2
82.88728	0.4
83.08645	0.6
85.02896	4.0
91.03936	2.6
91.05492	1.3
93.07069	0.7
95.04942	0.9
95.08617	1.5
97.02903	4.7
99.04428	0.6
101.02392	1.4
103.03893	0.5
105.07056	0.7
107.08575	0.4
109.02880	0.5
109.10161	0.4
119.08604	0.5
121.10106	0.6
127.03927	1.1
129.07002	0.7
149.09610	0.6
157.10104	0.8
159.33662	0.4
193.12317	1.1
203.05196	0.5
243.08522	1.7
283.15210	2.3
313.27280	0.6
339.17804	0.9
347.09573	2.1
363.08832	0.6
365.11041	0.7
405.13693	4.8
497.30881	4.6
501.23105	9.4
659.36298	4.7
663.28302	7.2
757.46826	2.5
896.42322	0.6
897.55042	0.6
919.52325	100.0
920.52802	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	919.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45033	0.2
70.12593	0.7
70.13012	0.4
71.04994	2.5
71.05368	0.3
72.05274	0.2
73.73579	0.2
83.32741	0.2
85.02906	2.4
96.98533	0.2
121.14714	0.2
129.05533	0.2
136.05135	0.2
159.99059	0.2
169.03297	0.4
169.04715	7.5
287.04028	0.3
287.75842	0.2
303.05090	1.2
304.05215	0.4
305.05164	0.3
315.03485	0.2
324.02325	1.1
325.03162	41.4
326.03378	0.9
343.04037	0.9
348.83035	0.2
361.04053	5.5
366.05823	1.5
377.01825	0.7
378.02103	0.3
379.05249	2.3
381.01083	1.1
384.05823	0.4
399.02213	0.4
433.04077	0.3
457.50562	0.2
471.08960	100.0
472.09378	3.4
495.04031	0.5
627.06073	9.4
628.06317	0.5
645.07056	4.4
646.06305	0.2
668.08069	0.6
717.77692	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
66.36350	0.7
67.05502	15.5
69.03430	3.0
69.07066	3.4
71.04990	2.8
71.22172	0.8
71.59496	1.2
79.05489	19.6
81.03416	47.0
81.07053	15.4
83.04980	4.6
83.08616	17.4
85.02892	3.8
85.06500	1.1
91.03932	1.1
91.05471	15.0
93.07043	14.3
93.25452	0.8
95.04964	21.7
95.08591	9.1
96.93201	0.7
97.02898	2.2
97.06523	2.9
97.10162	14.1
98.12753	0.8
103.05450	0.9
105.07023	10.2
107.04955	10.6
107.08583	9.9
109.06509	9.0
109.10143	5.8
111.04414	1.8
111.08064	5.0
115.05478	1.5
117.07007	4.3
119.04989	1.2
119.08585	9.1
121.06484	10.0
121.10136	7.0
123.04407	1.5
123.08051	4.8
123.11668	1.1
125.06013	1.2
125.09624	15.4
129.07005	6.1
131.04958	2.3
131.08559	9.6
133.06467	5.6
133.10114	5.0
135.08035	6.0
135.11688	1.6
137.05995	1.2
137.09612	1.9
141.07001	0.9
142.07791	1.7
143.08542	2.1
145.06470	5.1
145.10147	4.3
147.04407	3.2
147.08046	5.5
147.11678	6.4
149.09570	5.1
153.01843	1.2
153.09071	3.8
153.12727	0.8
155.08601	2.4
157.06537	2.1
157.10112	8.7
159.08092	2.2
159.11696	2.8
161.05931	1.6
161.09636	2.0
163.06065	0.9
163.11166	3.7
165.12790	2.2
167.10680	1.9
169.10107	2.0
171.08043	1.6
171.10226	0.8
171.11673	2.6
173.09653	1.9
173.11809	1.2
173.13289	1.4
175.11177	7.6
177.05322	1.1
183.11783	0.9
185.09673	1.0
185.13240	1.4
187.11159	1.4
187.14838	1.0
189.11227	7.8
189.12723	1.4
193.12234	17.3
193.13867	1.5
195.11694	1.8
197.13243	1.5
199.11206	1.9
199.13155	1.0
201.12677	1.2
205.12218	1.6
211.13315	2.5
213.12798	1.8
215.14296	2.6
217.12268	1.6
219.13821	2.8
223.11266	1.2
223.13316	2.5
225.12808	1.3
227.12683	1.7
231.13860	1.8
233.15343	5.2
235.13266	1.8
237.12753	1.2
241.12111	0.9
243.13832	1.1
245.15451	1.2
249.14902	1.8
255.13808	2.2
259.13290	1.8
261.14841	1.3
267.15897	48.1
268.16479	1.3
271.17035	1.1
273.14841	6.9
287.16483	1.8
293.17413	2.0
309.16812	1.3
321.22098	0.9
339.23209	2.8
349.21677	4.6
357.24158	3.0
367.22675	12.9
385.18744	1.3
385.23697	22.3
403.24863	6.4
441.26312	11.1
459.27386	100.0
460.27582	2.6
477.28467	89.7
478.28665	1.9
483.93057	0.9
491.30066	12.9
501.28464	5.7
509.31155	4.0
513.28467	1.6
531.29492	1.5
541.33710	1.7
543.29169	1.9
555.29669	1.2
567.29730	5.9
585.30658	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	916.5255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.6
67.05499	62.7
69.03429	2.3
69.07059	20.3
71.04983	4.8
73.02869	2.0
73.06511	2.8
75.16302	1.8
79.05485	86.0
81.03411	8.8
81.07049	60.8
83.04964	12.9
83.08607	10.3
85.02909	5.3
85.06522	4.4
89.38229	1.4
91.05472	92.1
91.17916	1.5
93.07033	95.1
95.04958	21.7
95.08600	38.3
97.02866	3.4
97.06511	6.0
97.10155	4.5
98.20699	4.0
99.08063	3.0
103.05417	1.6
105.04515	2.8
105.07018	78.1
107.04948	9.0
107.08588	34.7
109.06503	7.1
109.10131	11.8
111.08060	2.3
115.05442	3.4
117.06999	23.4
119.08568	65.0
121.06492	4.6
121.10145	17.0
123.08047	7.0
123.11686	2.8
127.03899	1.9
128.06192	3.0
129.06985	21.9
131.08559	20.8
133.06485	2.1
133.10127	38.7
135.11659	14.8
137.09621	2.6
139.11192	2.2
141.06976	2.4
143.08539	19.8
145.06520	1.8
145.10114	25.1
147.08095	3.4
147.11676	65.6
149.09621	2.0
149.13249	8.3
151.11134	1.8
155.08553	1.9
156.09384	2.3
157.10074	9.3
159.11664	20.5
161.09590	6.5
161.13239	30.8
163.11127	3.1
163.14790	4.1
169.10036	3.3
171.11673	34.6
173.13222	12.3
175.11169	2.1
175.14839	10.8
177.12729	2.0
179.14354	2.4
183.11655	2.2
185.13255	7.3
187.11176	3.7
187.14835	3.0
189.12755	10.7
197.13425	1.7
199.14780	4.9
205.12219	1.9
207.13789	17.6
213.16295	2.2
217.19446	2.0
231.21127	6.2
241.19481	26.5
257.18921	2.7
259.20544	69.9
261.22168	4.3
277.21616	1.9
279.15903	26.5
281.17438	78.2
283.19040	1.9
297.16956	1.9
315.23233	6.9
333.24200	44.9
334.25040	1.7
440.00455	1.8
447.32462	6.6
465.33621	7.8
483.34534	6.8
521.36243	6.3
529.38538	4.6
535.99030	1.9
539.37268	100.0
540.37354	2.7
541.79193	1.7
557.38336	36.8
558.38623	2.2
647.39081	4.0
701.42108	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	914.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	11.8
68.00498	0.6
69.03394	1.8
69.07063	4.7
70.73041	1.5
71.04959	1.4
71.08628	17.5
73.02870	0.8
79.05485	6.9
81.03410	55.1
81.07049	16.9
82.11168	0.4
83.04984	2.3
83.08614	17.4
85.02898	5.3
85.06526	0.8
85.10174	10.7
87.64203	0.4
89.05996	1.4
91.03946	3.4
91.05466	10.2
93.06567	0.5
93.07033	5.0
95.04961	15.8
95.08598	15.1
97.02878	4.0
97.06483	1.0
97.10153	5.2
99.04452	0.5
99.11687	0.9
103.07552	0.8
105.07026	6.2
107.04971	2.9
107.08598	2.7
109.06528	2.2
109.10139	7.6
111.04408	1.7
111.08056	5.7
115.05392	1.4
117.06961	1.1
117.09077	0.5
119.04878	0.7
119.08575	8.2
121.06469	1.9
121.10140	3.9
123.04387	1.3
123.08043	1.1
123.11692	2.6
125.09593	1.1
125.13177	0.6
127.03897	1.2
129.07005	6.8
131.08559	6.4
133.06459	2.0
133.10103	2.6
135.11632	0.7
137.09583	1.1
137.13208	0.8
142.07732	1.9
145.04910	1.8
145.10106	0.9
147.04422	1.1
147.07994	2.4
147.11665	5.0
149.09613	3.1
157.10100	7.3
161.05983	0.7
163.05991	2.6
163.11147	0.9
165.12749	1.4
175.11191	6.9
193.12224	23.5
205.12126	0.5
207.13759	0.7
211.13258	1.7
235.13351	1.4
239.23647	1.8
249.14854	1.7
257.24753	1.8
259.13303	1.5
267.15891	100.0
268.16245	1.5
273.14819	1.2
301.14420	2.6
309.16931	3.4
313.27335	99.3
314.27667	2.0
319.15384	0.6
330.23480	0.5
333.16699	0.7
393.19067	0.6
505.38834	85.5
506.39014	2.6
523.39691	1.9
547.39874	6.3
565.41016	0.7
601.41156	2.6
613.41107	2.3
631.41656	2.2
649.42755	1.3
709.42303	0.6
885.26349	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.349
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60488	1.2
67.05491	2.7
70.20323	1.2
71.59039	1.1
77.94946	1.5
78.13091	1.3
79.05499	5.8
81.07070	1.8
84.03647	1.3
86.79082	1.3
91.05491	1.7
95.05004	2.1
106.06584	2.2
134.06006	20.5
144.08141	1.8
146.06039	1.7
152.07040	1.7
152.67050	1.5
167.32011	1.3
172.03958	1.8
187.08664	2.7
187.68605	1.5
202.23943	1.3
204.06619	4.5
225.10367	1.8
235.08734	2.0
237.10254	3.4
249.10170	8.1
250.11264	1.9
251.08226	1.6
253.09662	1.5
263.08209	3.8
265.09772	3.4
277.09769	6.0
278.10443	1.6
291.11331	1.6
293.09311	1.7
305.09271	5.3
309.12402	3.4
310.13358	2.1
313.13153	1.8
325.12250	2.6
326.12961	2.1
337.11829	12.7
338.13055	2.3
340.10892	2.2
340.14642	2.5
341.15192	1.6
354.16309	2.9
356.17709	2.2
366.12369	1.9
367.13000	1.8
414.14032	1.8
426.14218	6.8
428.15918	1.8
442.17853	2.5
444.19214	4.1
475.21497	2.7
477.16632	2.2
486.16412	10.0
502.20111	2.6
520.19043	2.2
534.19934	2.5
535.23383	1.9
561.24969	7.2
564.21692	3.1
566.23138	7.0
592.21149	1.9
594.22736	5.5
621.27063	5.4
626.24658	9.3
652.22180	1.8
759.30194	100.0
760.30408	4.7
804.26691	2.4
911.34637	92.6
912.34937	3.7
944.94879	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	909.4809
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.2
69.03426	3.4
69.07066	0.8
70.16772	0.8
70.17194	0.4
71.01363	0.6
71.05007	0.5
73.02910	3.3
79.05496	2.1
81.03415	2.9
81.07050	3.1
83.04964	0.5
83.08607	0.8
85.02900	6.1
91.03943	3.3
91.05481	2.1
93.07037	1.7
95.04970	1.3
95.08607	1.8
97.02885	4.8
99.04475	0.7
105.07029	1.1
106.90401	0.2
107.04954	0.5
107.08603	0.9
109.02916	0.8
109.06556	0.3
109.10127	0.5
111.04544	0.3
111.08090	0.3
113.06028	0.3
115.03947	0.6
117.07011	0.3
119.08604	0.7
121.10152	0.9
127.03911	1.6
129.07040	0.5
131.08562	0.7
133.10153	1.0
135.11742	0.4
145.04994	0.5
145.10141	0.4
147.11693	0.6
157.10168	0.7
159.11745	0.3
175.11166	0.5
185.04333	0.7
191.11885	0.2
193.12328	0.8
201.03917	0.2
202.19945	0.2
203.05399	0.8
211.13301	0.6
243.08386	2.0
251.12657	0.5
269.12567	0.6
274.78439	0.2
289.09399	0.4
301.07483	0.3
307.15076	0.7
326.11420	0.4
335.25888	0.7
342.22974	0.2
347.09399	2.0
363.09116	0.4
365.10745	0.7
389.32404	0.2
405.13638	5.0
469.20407	5.8
497.06604	0.2
519.29315	3.3
631.25720	5.7
657.28680	0.2
681.34436	3.7
687.43335	0.3
739.37402	0.4
747.42499	1.4
768.10919	0.2
909.48120	100.0
910.48645	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	909.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	3.4
69.03418	3.3
69.07050	1.1
70.26317	2.3
70.26708	1.3
71.04984	0.9
72.68822	0.7
73.02911	3.2
73.38885	0.7
79.05488	4.4
80.50317	0.6
81.03425	1.6
81.07052	4.3
83.08607	0.8
85.02906	5.9
89.82308	0.6
91.03967	3.7
91.05486	1.9
93.07041	3.8
95.04968	1.1
95.08608	1.7
97.02897	4.5
99.04454	0.9
101.02396	1.8
105.07036	2.6
107.08606	1.3
109.02905	0.8
109.10147	0.8
111.08050	0.9
114.08172	0.7
117.07031	0.9
117.41711	0.7
119.08592	1.9
121.10152	1.4
127.03929	1.5
129.06979	0.8
131.08566	0.7
133.10138	1.8
145.10194	0.7
147.11708	0.8
149.13249	1.1
159.11755	0.8
171.11775	0.7
185.04315	0.9
186.94630	0.6
203.35617	0.6
235.13094	0.9
243.08470	2.8
259.08069	0.7
301.09079	1.9
315.10574	1.0
347.09637	2.5
363.08878	1.3
365.10733	0.8
401.06686	0.9
405.13669	5.1
453.21005	6.8
463.15170	0.9
481.20471	0.8
535.28888	4.1
541.22137	1.4
585.38159	0.9
615.26129	6.2
687.28320	1.0
697.34454	3.6
715.33118	1.5
747.43549	1.0
823.44550	1.9
880.78711	1.0
909.48248	100.0
910.47803	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	909.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	2.9
69.03424	3.4
69.07063	0.7
71.01357	0.5
71.05003	0.6
73.02914	3.3
78.24689	0.2
79.05484	2.1
81.03415	1.9
81.07040	2.5
83.01332	0.3
83.04974	0.5
83.08640	0.4
85.02896	6.3
87.04440	0.3
89.85813	0.2
91.03940	3.5
91.05471	1.7
93.07033	2.1
95.04973	0.8
95.08591	1.9
97.02882	5.6
97.06536	0.3
99.04423	1.0
103.03926	0.5
105.07009	1.3
107.04918	0.2
107.08596	1.1
109.02866	0.7
109.06504	0.2
109.10165	1.0
115.03941	0.6
117.07038	0.3
119.08616	1.0
121.10119	1.2
127.03902	2.0
129.06984	0.3
131.08571	0.6
131.61380	0.2
133.10158	0.5
135.11697	0.5
143.33807	0.2
145.04993	0.4
147.11739	0.6
157.10143	0.4
165.12724	0.2
185.04272	0.7
193.12244	0.6
203.05356	0.8
207.78133	0.2
243.08392	1.7
245.74252	0.2
251.12679	0.5
261.22064	0.2
262.89365	0.2
269.12427	0.7
289.09369	0.4
301.20279	0.3
305.07928	0.2
307.14868	0.3
335.25882	0.6
336.26437	0.2
347.09531	1.6
363.09210	0.6
365.10620	0.9
405.13623	4.3
405.18472	0.3
469.20441	3.9
519.29224	4.7
548.39215	0.2
631.25598	2.9
632.26587	0.2
681.34448	6.1
682.34747	0.3
747.42761	1.3
909.48096	100.0
910.48346	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	908.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	26.1
69.03422	2.9
69.07064	22.4
69.71935	1.4
70.06585	1.5
71.04986	3.8
71.08626	2.8
73.02922	2.4
79.05483	17.2
79.86819	1.6
81.03412	38.7
81.07054	28.4
83.04992	7.8
83.08614	30.1
85.02892	24.9
85.10180	2.0
91.03950	5.1
91.05475	18.8
93.07028	15.7
95.04964	17.6
95.08605	18.8
97.02902	7.4
97.06516	4.5
97.10162	10.7
105.07042	16.5
107.04964	4.7
107.08589	9.5
109.06499	3.9
109.10172	8.9
111.04419	2.4
111.08089	7.8
111.11698	2.9
119.08530	8.6
121.06520	1.7
121.10139	13.0
123.11715	3.1
127.03896	2.6
128.06339	1.5
129.06993	5.8
131.08560	9.1
133.06392	1.9
133.10118	6.7
135.11732	4.2
135.48872	1.6
142.07831	1.5
142.31558	1.5
145.04959	3.5
147.08038	1.8
147.11655	11.1
149.09608	3.8
149.13281	3.2
157.10175	8.6
163.06021	2.3
165.12750	2.5
175.11153	13.0
193.12231	30.7
209.03239	1.8
211.13264	42.7
247.24161	1.7
267.15942	14.1
285.16962	58.7
295.41830	1.4
306.07712	1.5
339.28915	55.5
353.56787	1.6
374.31500	1.5
531.40448	14.2
549.41455	100.0
550.41437	2.2
570.32758	1.6
738.35052	3.7
832.00287	1.8
908.49512	9.4
909.46320	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	905.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
65.62613	0.3
66.28982	0.3
66.46727	0.3
67.05499	3.8
69.03423	3.5
69.07068	0.8
70.48396	0.3
71.01357	0.6
71.04999	0.5
71.60011	0.5
73.02905	3.3
79.05490	3.5
81.03408	1.6
81.07051	3.6
83.08579	0.4
85.02898	6.0
87.04469	0.5
91.03945	3.4
91.05473	2.7
93.07049	2.8
94.79598	0.3
95.04977	0.7
95.08614	2.8
97.02886	5.9
99.04476	0.9
101.02377	2.0
101.45236	0.3
103.03951	0.3
105.07041	1.6
105.37180	0.3
107.08605	1.2
109.06496	0.4
109.10168	0.7
115.03956	0.3
117.07043	0.4
119.04914	0.6
119.08636	0.8
121.10194	0.8
123.08137	0.3
127.03928	2.2
131.08588	0.6
133.10158	0.6
135.11681	0.8
147.04413	3.1
147.11754	0.9
149.09756	0.3
171.11687	0.7
173.13199	0.3
174.63324	0.3
185.04254	0.7
203.05396	0.5
243.08444	2.7
247.13152	1.0
273.03061	0.3
300.38495	0.3
303.15543	0.4
307.33173	0.3
325.92889	0.4
335.25974	0.7
347.09424	2.3
365.10495	0.6
405.13626	6.1
405.18552	0.5
441.72559	0.4
465.20871	4.4
519.29370	4.8
627.26245	3.1
648.48938	0.3
681.22998	0.3
681.34521	5.9
743.43597	1.3
905.48627	100.0
906.49084	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	906.541
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.3
67.05499	80.3
69.03418	2.9
69.07064	10.3
71.04983	13.7
71.60120	1.5
72.82349	1.1
73.02903	2.6
79.05059	1.9
79.05490	28.2
81.03422	3.1
81.07048	31.5
83.04976	4.0
83.08614	6.3
84.39117	0.9
85.02890	8.8
85.06531	2.5
87.04463	1.3
91.03938	4.5
91.05473	21.7
91.06013	2.2
93.06464	1.9
93.07037	36.8
95.04935	2.8
95.08597	24.3
95.09159	2.0
97.02872	5.4
97.06524	3.7
97.10146	1.9
99.08036	1.8
105.07027	10.7
107.08595	15.6
108.07704	1.1
109.06473	1.4
109.10148	49.8
111.08059	2.0
115.85754	1.0
117.07009	4.7
119.08566	13.4
121.10136	14.2
123.08066	1.1
123.11659	2.1
125.09625	1.6
127.03897	2.6
129.06999	1.5
131.08542	5.5
133.10155	7.6
135.11685	15.0
137.09621	7.4
143.08620	1.0
145.04961	3.0
145.10103	6.2
147.11658	3.9
149.13232	2.4
155.10709	1.9
159.11673	3.2
161.13266	3.3
163.05988	2.6
163.11183	2.9
165.12738	2.1
169.12262	1.2
171.11757	1.6
173.11726	6.8
173.13191	2.3
181.12283	1.4
203.67310	1.2
213.14755	2.5
222.45186	1.0
224.50696	1.1
229.14336	1.0
241.19572	1.0
243.15799	1.4
243.21342	1.2
255.15875	3.5
261.22131	2.5
269.17368	1.2
287.18457	18.2
335.25775	24.6
336.26187	1.5
354.67480	1.0
397.31174	1.3
471.34421	3.3
489.35721	93.2
490.35855	2.7
497.35818	1.6
497.42175	1.2
503.37082	3.3
515.37360	18.6
533.38617	1.4
546.37921	1.3
547.39911	100.0
548.40088	2.4
691.43976	2.8
906.50226	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	905.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	2.8
69.03416	2.7
69.07066	0.7
73.02915	3.2
79.05511	2.5
79.33444	0.4
81.03419	1.7
81.07045	3.6
83.04987	0.9
85.02910	4.4
91.03955	3.3
91.05475	2.5
93.07047	2.7
95.04981	0.8
95.08604	2.0
97.02883	4.9
98.20747	1.4
99.04440	0.7
99.58802	0.5
101.02390	1.8
105.07053	1.9
107.08625	1.1
109.02907	0.9
119.08566	1.4
121.10184	0.7
127.03918	2.0
129.07074	0.5
135.52007	0.5
145.10193	0.6
147.04431	0.6
147.11725	1.0
161.13362	0.7
171.11653	0.6
185.04338	1.3
203.05246	1.1
229.35826	0.5
243.08490	1.5
247.13129	1.1
308.87686	0.6
335.25830	0.5
347.09534	2.0
405.13626	4.6
465.20950	6.9
514.97308	0.6
519.29169	3.0
627.26349	6.4
681.34381	3.7
743.43463	1.6
905.48663	100.0
906.49329	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	904.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
63.51105	1.5
65.03930	4.0
67.05504	84.1
67.68758	1.6
69.03436	4.7
69.07061	28.1
70.62531	3.7
70.62878	3.1
71.04985	5.5
73.02918	3.6
79.05490	64.2
81.03391	7.9
81.07051	100.0
83.04975	7.5
83.08619	15.5
85.02900	9.0
85.06539	5.1
91.03944	7.7
91.05473	65.3
93.07038	88.7
95.04984	13.4
95.08596	37.4
97.02917	5.5
97.06539	15.1
97.10180	4.5
99.08095	4.1
103.05518	1.9
105.07022	56.9
107.04953	2.7
107.08591	46.8
109.02803	1.8
109.06507	6.9
109.10150	19.5
111.08069	6.0
112.16116	1.6
113.05962	2.1
113.09631	2.9
115.05507	2.1
117.07018	21.6
119.08575	45.0
120.41595	1.9
121.06480	3.4
121.10138	38.1
123.08078	2.3
123.11722	5.4
125.09614	4.0
127.03899	3.7
127.07584	1.9
128.66078	1.8
129.07005	8.3
131.08569	32.4
133.10121	45.8
135.08037	3.7
135.11705	26.4
137.09586	2.4
139.11165	2.4
140.87869	1.9
143.08553	10.2
145.04968	2.1
145.06409	1.8
145.10117	22.6
147.11682	37.4
149.09601	6.5
149.13246	36.4
149.14371	3.2
155.08478	2.6
157.10097	10.6
159.11684	30.3
161.13251	24.7
163.06055	3.5
163.11230	4.7
163.14803	3.9
165.12659	2.3
169.10074	2.1
171.11673	14.6
173.11893	2.0
173.13257	10.7
175.11095	2.9
175.14847	10.8
177.12737	7.5
179.14224	1.7
183.11703	2.6
185.13286	9.8
187.14862	5.0
189.12802	2.6
193.12181	2.3
195.13829	11.2
197.13321	3.0
199.14888	5.0
201.16382	2.4
215.17908	2.9
223.16943	2.0
226.37624	1.6
227.12775	2.1
229.14317	4.1
231.21143	6.0
241.19490	30.4
257.19089	4.2
259.20563	74.4
261.22144	3.8
267.15854	17.9
269.17462	97.9
275.20038	9.5
277.21704	3.0
315.23129	6.3
333.24222	56.8
335.25861	3.4
349.23816	4.1
423.27368	2.4
435.32550	7.0
453.33716	4.9
471.34897	3.1
509.36234	4.1
517.38623	4.6
527.37305	97.5
543.36719	2.1
545.38391	31.3
623.41840	1.9
689.42542	3.2
742.43335	1.9
887.35815	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	904.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03900	1.9
67.05501	48.0
69.03426	6.1
69.07066	11.2
69.91361	1.5
69.91757	1.0
70.26535	0.6
71.04984	5.0
73.02919	4.3
75.35535	0.5
77.03872	1.0
79.05490	39.5
81.03413	49.3
81.07053	49.6
83.04978	14.2
83.08616	20.1
85.02899	31.9
85.06531	2.6
87.04427	0.8
91.03954	7.2
91.05476	36.0
93.07039	36.8
95.04961	23.5
95.08602	30.7
95.09221	1.3
97.02881	8.3
97.06519	4.9
97.10149	4.1
98.20795	0.6
99.04430	1.2
99.08049	1.6
101.02341	0.6
103.05370	0.8
105.04464	0.8
105.07025	24.5
107.04956	5.1
107.08591	19.6
109.02867	1.0
109.06498	5.8
109.10142	12.8
111.04381	1.9
111.08077	7.6
113.05955	1.9
115.05412	1.3
116.70562	0.5
117.07040	4.6
119.04996	0.7
119.08578	22.5
121.06458	1.4
121.09322	1.0
121.10139	16.9
123.04449	0.6
123.08105	2.6
123.11712	4.3
125.09566	1.6
127.03912	2.5
127.07470	0.7
128.06201	0.6
129.05476	1.1
129.06999	8.9
131.08563	15.1
133.06458	2.5
133.10126	15.1
135.08023	1.0
135.11681	7.5
137.09593	1.5
137.13199	1.2
139.11086	0.7
142.07742	2.8
143.08522	1.3
145.04977	3.2
145.10118	5.8
147.08038	2.5
147.11679	16.0
149.09612	5.0
149.13264	4.6
151.11147	1.1
155.08496	0.8
157.10120	11.8
159.11720	3.5
161.13197	2.3
163.06017	3.0
163.11096	0.8
163.14778	1.8
165.12723	1.8
169.10085	0.8
173.13242	3.2
175.09756	0.8
175.11188	12.3
175.14743	1.3
177.12735	0.7
183.11688	0.6
185.13274	0.9
187.14848	1.3
189.11198	0.7
193.12234	37.2
197.13205	0.8
211.13280	66.4
229.14238	0.9
243.21021	3.6
243.35141	0.6
249.14940	1.0
259.20624	0.6
261.22089	9.3
267.15939	13.2
285.16943	78.4
301.25287	0.9
317.24643	3.1
333.24118	0.9
335.25784	65.5
336.26166	0.7
341.24710	0.7
435.27216	0.6
435.32669	2.0
453.33505	3.2
471.34851	1.0
527.37372	13.4
545.38336	100.0
546.38593	2.6
563.39044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.7
67.05498	34.7
69.03418	3.3
69.07058	8.6
69.07632	0.3
71.04974	2.6
71.05312	0.4
71.08622	0.3
73.02904	2.6
74.26761	0.3
77.03936	0.4
78.51127	0.2
79.05484	28.5
79.49003	0.2
81.03409	32.4
81.07047	36.5
83.04973	7.5
83.05363	0.1
83.08609	13.1
85.02893	19.6
85.06525	1.9
86.96436	0.2
87.04454	0.6
91.03947	5.5
91.05470	23.2
92.05788	0.2
93.07033	28.6
95.04958	14.8
95.08594	24.2
96.04498	0.4
97.02878	6.4
97.06521	3.1
97.10160	2.8
99.04453	0.8
99.08094	1.1
103.05430	0.3
105.04531	0.5
105.07017	17.2
107.04939	3.9
107.08583	14.5
109.02899	0.4
109.06505	3.2
109.10143	9.6
111.04441	1.5
111.08074	5.1
113.06000	1.4
113.09630	0.2
115.03890	0.5
115.05443	0.9
117.07011	4.1
117.19998	0.2
119.04958	0.5
119.08566	14.2
121.06510	0.9
121.10129	14.0
123.08076	2.0
123.11700	3.7
124.25082	0.3
125.09606	1.3
127.03926	2.0
127.07568	0.4
128.06232	0.4
129.06984	6.3
131.07562	0.5
131.08553	10.9
133.06464	1.4
133.10118	10.3
135.08067	0.5
135.11674	6.5
137.09631	1.2
137.13254	0.9
141.06932	0.4
142.07744	1.2
143.08553	0.7
143.14572	0.3
145.04961	2.0
145.06061	0.3
145.10114	4.7
147.07974	1.8
147.11668	10.3
149.09610	3.7
149.13246	3.3
151.11150	0.8
155.08510	0.4
157.10112	8.1
159.11678	3.2
161.13255	2.6
163.05998	2.5
163.11191	1.0
163.14783	1.6
165.12729	2.3
169.10152	0.5
171.11630	0.6
171.99026	0.3
173.13237	2.3
175.11157	7.2
175.14771	0.9
177.12691	0.5
177.16394	0.7
179.14325	0.3
180.08708	0.3
183.11711	0.5
185.13246	0.6
187.14827	1.0
189.11180	0.6
193.12228	24.1
194.12511	0.3
199.14748	0.4
201.16441	0.6
209.13434	0.3
211.13263	32.7
212.13663	0.4
227.12750	1.1
229.14241	0.4
233.22530	0.4
243.21103	2.7
247.16684	0.3
249.14795	0.4
259.20511	0.4
261.22110	8.0
267.15878	10.7
269.17450	0.4
279.23120	0.5
280.02487	0.3
283.15512	0.5
285.16928	41.7
286.17334	0.5
301.25305	0.7
303.23111	0.4
317.24783	2.1
335.25754	65.0
336.25949	1.4
417.31528	0.6
435.32681	1.5
449.28662	0.3
453.33481	1.5
471.34564	1.1
509.36404	0.6
527.37274	12.0
545.38312	100.0
546.38757	2.7
563.39233	0.4
689.41943	0.5
748.70123	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03907	2.1
67.05502	50.9
69.03421	3.7
69.07067	12.7
69.42702	6.7
69.79742	0.8
70.22175	0.6
71.01355	0.8
71.04954	3.4
71.08606	1.8
73.02911	5.0
79.05490	42.9
81.03413	15.2
81.07054	54.2
83.01331	6.3
83.04561	0.9
83.04977	11.1
83.08617	16.5
84.08170	0.8
85.02435	1.3
85.02900	20.7
85.06510	1.9
91.03951	11.2
91.05476	24.6
91.68314	0.8
92.05806	0.9
93.07040	56.4
95.04965	8.9
95.08604	37.2
95.09226	1.2
96.08929	1.0
97.02378	0.8
97.02880	9.8
97.06528	5.3
97.10166	6.0
99.04471	3.9
99.08080	1.3
103.05413	0.9
105.04469	1.1
105.07027	19.3
107.04958	7.7
107.08591	28.7
107.61208	0.7
109.02848	1.3
109.06511	6.7
109.09444	1.2
109.10146	18.5
111.04388	2.3
111.08015	3.3
111.08700	0.8
115.03895	1.1
115.05408	1.0
117.07008	12.1
119.07769	1.2
119.08570	16.0
121.06479	2.7
121.10139	25.4
123.04392	0.9
123.07292	0.9
123.08067	8.9
123.11691	6.9
125.05959	1.6
125.09600	3.3
127.03897	5.0
129.05473	1.3
129.06938	2.7
130.07768	1.7
131.08562	12.3
133.10129	12.0
135.08008	2.9
135.11696	23.5
137.09601	2.2
137.13222	2.0
141.06950	1.0
143.08548	1.3
144.04645	0.7
145.04909	4.8
145.06413	1.2
145.09033	1.3
145.10117	19.0
147.08002	2.6
147.11676	7.7
149.09578	2.5
149.13245	6.2
151.11139	1.1
153.12715	3.5
155.08548	2.1
157.10081	2.5
159.11652	6.4
161.09660	0.9
161.13287	4.6
163.06001	6.0
163.09816	1.5
163.11169	23.0
163.14789	3.2
169.10121	0.7
171.11681	2.2
173.09589	2.7
173.13225	6.5
175.14818	2.3
177.16342	1.0
180.08705	1.0
181.12228	3.2
183.11647	1.1
185.13281	1.6
187.14798	2.8
189.11163	3.0
191.10641	2.9
191.14272	1.0
193.12271	2.3
199.14883	1.1
201.16393	1.5
209.11687	4.8
211.13269	2.1
213.16351	0.8
227.12766	11.5
227.20053	2.0
233.22513	1.1
241.19527	1.5
243.21016	6.3
245.13393	0.8
245.93681	0.9
259.20493	2.9
261.22156	21.5
267.15985	5.4
268.16275	4.2
269.17307	1.1
275.20068	1.0
283.15384	99.9
284.15887	1.6
285.16965	1.1
297.22098	1.0
299.23709	5.1
313.27411	4.3
314.27737	2.5
315.22913	1.0
315.27921	1.5
317.24765	5.3
333.24234	2.9
335.25781	94.2
336.26172	1.6
355.26193	0.9
404.11313	0.8
405.31693	0.9
415.29724	0.9
433.31042	2.5
451.32071	5.1
469.33054	3.1
481.53244	0.9
487.34525	1.3
505.39035	1.3
506.39120	4.0
507.39560	2.5
515.37683	0.9
525.35791	8.4
543.36792	100.0
544.37177	2.3
561.38110	6.7
581.32251	0.8
629.40918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5103
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.2
67.05500	41.1
69.03431	5.0
69.07069	11.0
71.01360	1.6
71.04984	4.2
71.08620	2.0
73.02918	3.7
77.03864	0.9
79.05488	35.0
80.05781	0.8
81.02924	0.8
81.03411	15.4
81.07053	41.0
83.00883	1.1
83.01340	8.0
83.04981	11.1
83.08616	12.8
85.02417	1.4
85.02898	19.0
85.06525	1.5
91.03949	10.5
91.04883	1.1
91.05471	21.5
93.07039	42.8
94.07368	0.7
95.04972	9.9
95.08601	30.6
97.02896	11.6
97.06524	4.5
97.10158	4.5
99.04443	2.3
99.08081	1.1
104.17805	0.8
105.06375	1.3
105.07031	16.4
105.07724	0.6
107.04951	6.6
107.08591	23.2
109.02870	1.2
109.06525	6.7
109.10147	12.8
111.04439	2.4
111.08064	1.8
114.92731	0.7
115.03879	0.8
117.07007	9.0
119.08578	13.9
121.06486	2.9
121.10132	16.6
123.08073	8.3
123.11692	3.5
125.05990	1.6
125.09630	3.2
127.03902	4.4
129.06982	3.4
130.07768	1.8
131.08553	11.7
133.10121	7.6
135.08022	3.0
135.11691	15.4
135.99104	0.8
137.09584	2.1
137.13287	0.8
139.07516	1.1
143.08539	2.1
145.04955	4.8
145.06494	0.8
145.09033	1.3
145.10120	18.5
147.08054	1.9
147.11673	5.9
149.13219	5.3
151.11145	1.1
153.12706	2.1
155.08601	1.7
157.10118	2.0
159.11696	4.1
161.13243	4.0
163.06038	5.9
163.11163	20.3
163.14819	3.1
171.11667	0.8
173.09601	2.5
173.13220	4.6
175.14738	1.1
177.69145	0.7
181.12160	3.1
183.11720	1.3
187.14847	2.8
189.11211	2.6
191.10690	2.5
193.12257	2.6
209.11664	6.5
210.48006	0.7
211.13324	1.8
213.38742	0.7
227.12778	10.9
233.22568	0.8
243.21080	4.8
259.20618	2.0
261.22107	13.0
265.14371	0.8
267.15942	7.3
268.16275	2.8
277.21521	1.2
283.15384	100.0
284.15720	1.4
299.23557	3.7
313.27249	3.4
314.27637	4.3
315.28058	1.1
317.24670	4.0
333.24164	2.5
335.25775	63.9
339.98801	0.8
362.72058	0.9
433.30811	2.4
451.31757	3.7
469.33072	2.7
487.33936	2.3
505.39041	1.6
506.39053	2.4
507.39435	2.0
515.37225	1.9
525.35706	7.2
543.36774	61.9
544.37030	1.1
561.37628	5.1
641.74945	0.9
903.48010	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03893	1.7
65.04238	0.4
67.05502	35.1
67.05848	1.2
69.03386	2.0
69.07066	9.0
69.07409	0.5
69.94424	2.2
71.04945	1.9
71.08599	0.5
73.02868	1.3
79.05488	29.9
80.05827	0.5
81.03398	2.1
81.07053	35.8
83.04983	2.1
83.08614	8.0
84.73553	0.4
85.02902	2.4
85.06496	1.6
85.86127	0.5
91.03950	1.0
91.05473	13.3
93.07038	40.3
95.04968	6.6
95.08601	44.5
97.02882	4.4
97.06518	4.0
97.10126	1.6
98.21452	0.6
99.04450	2.8
99.08057	0.7
100.07246	0.4
103.05428	0.6
104.52090	0.5
105.04475	0.7
105.06388	0.7
105.07027	9.7
107.04954	5.5
107.08587	26.3
109.02885	0.5
109.06457	1.4
109.10146	11.1
111.04411	0.8
111.08006	1.2
113.09581	0.6
115.05455	0.4
117.07015	6.6
119.08569	12.1
121.06488	4.1
121.10133	16.7
121.11005	0.8
123.08032	1.0
123.11694	2.7
125.06004	3.0
127.03868	0.4
129.06973	1.0
130.07741	0.8
131.08580	5.3
133.10130	7.0
135.08022	1.2
135.11687	40.0
137.09534	0.6
137.13197	1.0
139.07500	1.4
139.11110	0.5
143.08527	0.7
145.04900	0.8
145.10110	22.3
145.11270	1.1
147.11705	2.6
149.13264	3.4
153.12703	0.6
157.10077	0.6
159.11726	2.2
161.13254	2.1
163.11171	47.7
163.14771	1.6
173.09599	0.5
173.13217	2.2
175.14734	0.9
181.10732	0.7
181.12215	8.6
185.13184	0.5
187.14749	0.8
193.29962	0.5
209.11647	1.0
220.00308	0.5
227.12762	54.3
228.13231	0.6
243.21042	1.9
261.22141	7.0
283.15381	53.5
284.15836	0.9
301.46927	0.5
317.24707	2.8
335.25778	100.0
336.26248	2.7
340.77866	0.6
475.30167	0.7
507.39459	0.5
543.36792	96.9
544.37207	2.7
561.37775	0.9
577.67432	0.6
588.85382	0.5
791.61176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	2.3
66.23346	0.7
67.05502	39.7
69.03426	2.3
69.07062	12.6
71.04987	4.2
71.59775	1.2
73.02914	2.4
79.05489	42.1
81.03424	4.5
81.07053	47.2
83.04978	5.2
83.08622	10.7
85.02905	6.0
85.06534	2.0
86.68787	0.8
91.03941	3.2
91.05471	18.9
93.07038	64.0
95.04963	9.7
95.08600	57.8
97.02877	6.7
97.06523	4.3
97.10167	2.9
99.04448	4.8
99.08073	0.9
103.05465	1.1
105.07021	14.3
107.04935	9.6
107.08585	40.4
109.06512	3.0
109.10146	13.0
111.04469	1.2
111.08091	2.1
113.05930	0.9
113.09687	1.0
117.07011	13.0
119.08572	15.4
121.06516	4.8
121.10138	21.3
123.08036	1.5
123.11681	2.6
125.05989	3.3
129.07010	1.3
130.07819	2.1
131.08559	6.3
133.10117	9.0
135.08069	3.1
135.11681	56.2
137.13216	0.8
139.07550	2.4
143.08537	1.7
145.04936	1.2
145.10114	33.1
147.11682	4.3
149.13269	3.7
157.10164	1.2
159.11684	4.2
161.13252	2.2
163.11172	66.3
163.14818	1.8
171.11639	1.2
173.09540	1.4
173.13286	3.3
181.12228	11.5
187.14818	1.1
209.11769	1.8
227.12772	77.9
243.21147	3.0
261.22073	9.3
283.15381	96.7
284.15686	1.5
305.59045	0.9
317.24863	3.0
335.25775	90.9
336.25986	3.9
389.31177	0.8
427.19449	1.4
529.38989	1.4
543.36780	100.0
544.36945	2.9
687.40479	1.1
705.41779	1.5
708.54681	1.0
734.48053	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	2.6
67.05503	100.0
69.03429	9.8
69.07056	11.0
71.01323	3.4
71.04981	9.3
71.60442	3.9
73.02909	4.2
79.05486	45.1
81.03412	79.7
81.07052	40.1
83.04975	21.5
83.08617	33.6
85.02898	32.7
87.04463	23.8
89.92624	3.4
91.03943	7.6
91.05468	40.5
93.07043	27.3
95.01325	3.1
95.04954	34.2
95.08581	15.5
96.04504	2.5
97.02873	12.0
97.06524	6.0
97.10158	16.0
99.04456	9.5
105.07013	29.3
107.04960	17.1
107.05584	3.8
107.08597	18.0
109.02829	3.6
109.06513	5.0
109.10151	58.6
111.04414	8.0
111.08060	17.0
116.04720	5.3
117.06977	4.7
119.04914	3.3
119.08581	21.7
121.06503	6.7
121.09333	3.3
121.10113	13.6
123.04426	4.4
125.09644	14.3
127.03894	4.1
129.05472	11.7
129.07004	12.9
131.04907	3.7
131.08580	15.4
133.06520	4.9
133.10120	12.7
135.08044	4.2
135.11667	8.8
137.05971	3.5
137.09616	3.8
142.07764	3.5
145.04971	3.6
145.10135	6.2
147.04370	5.5
147.08025	7.6
147.11655	14.3
149.09634	10.6
149.13365	2.9
153.12717	7.9
157.08704	6.4
157.10120	20.8
163.03902	3.2
163.11139	10.4
165.12775	5.6
173.11746	19.8
175.11162	15.7
181.12193	6.4
189.11275	7.9
191.10635	6.5
193.12231	56.6
199.13304	5.7
202.83582	2.8
209.11757	8.7
211.13278	71.3
227.12773	20.8
229.12123	4.9
229.14346	63.0
247.13289	15.9
247.28732	3.0
249.14932	4.2
265.14575	3.4
267.15906	60.1
267.18579	4.8
283.15341	10.5
285.16968	38.2
301.16510	17.2
313.16556	2.9
321.16629	4.1
408.61005	2.8
421.25842	21.2
427.26953	5.4
439.26913	98.5
475.26935	10.8
493.28043	15.4
525.30463	7.4
543.31726	5.2
747.62976	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	900.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	2.3
66.77550	0.6
67.05500	40.3
69.03403	0.9
69.07063	8.2
71.04984	1.9
71.08632	0.8
73.02882	0.8
73.06568	0.7
73.54158	0.8
74.13249	0.6
79.05486	45.9
81.03421	4.7
81.07050	34.4
83.04978	6.8
83.08618	4.3
85.02900	3.8
85.06538	1.9
91.03944	2.0
91.05473	33.7
93.03480	0.7
93.07038	47.9
95.04965	13.6
95.08601	26.6
97.02888	2.3
97.06521	2.7
97.10172	2.3
98.20693	1.4
103.05463	1.0
105.04519	1.1
105.07021	22.0
107.04958	3.2
107.08587	16.5
109.06506	3.1
109.10156	8.8
111.04420	0.7
111.08073	1.2
117.06998	4.6
119.08576	16.6
121.06490	1.7
121.10141	9.0
123.08050	2.2
123.11710	1.6
125.09609	0.8
128.06229	1.3
129.07004	7.8
130.07756	1.0
131.08542	4.6
133.10129	7.9
135.08134	0.8
135.11699	5.1
143.08571	3.7
145.05013	0.7
145.10123	6.6
147.07994	1.0
147.11667	18.7
149.13287	2.3
157.10225	0.8
159.11710	2.4
161.09631	1.2
161.13249	6.5
163.05856	0.7
163.11145	0.8
163.14905	0.7
169.10124	0.7
171.11646	11.7
173.13289	1.0
189.12772	3.4
196.68457	0.7
207.13779	17.7
214.75380	0.7
243.21013	1.0
261.22125	4.0
279.15918	2.5
281.17459	61.1
282.18030	1.0
313.27426	1.4
317.24731	1.6
333.24243	0.8
335.25778	41.4
336.26355	0.9
373.39243	0.8
384.38931	0.8
449.33984	1.2
467.35361	0.8
471.21005	0.8
511.30887	0.6
523.38855	0.8
541.38861	100.0
542.38855	3.2
559.39807	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	900.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.4
67.05502	23.6
69.03422	0.8
69.07062	5.9
71.04990	0.9
73.02911	1.0
73.06554	0.5
77.03905	0.5
79.05488	27.1
81.03413	2.6
81.07052	21.6
83.04978	4.2
83.08613	2.8
85.02890	2.0
85.06536	1.1
91.03953	1.2
91.04887	0.5
91.05473	17.6
93.07037	27.7
95.04965	6.8
95.08602	15.8
96.08978	0.3
97.02888	1.0
97.06529	1.2
97.10176	1.4
98.21523	0.7
99.08046	0.5
105.04527	0.5
105.07028	13.4
107.04938	2.2
107.07857	0.5
107.08587	10.2
107.09286	0.7
109.06509	2.1
109.10155	5.2
111.08070	1.0
117.07001	3.7
119.08575	9.1
121.06473	0.8
121.10138	6.8
123.08065	1.9
123.11711	1.2
127.03963	0.5
127.07567	0.5
128.06192	0.5
129.06995	4.7
131.08566	2.8
133.06436	0.3
133.10144	5.0
135.11673	3.4
137.09598	0.4
137.13348	0.3
143.08557	2.9
145.04900	0.3
145.10120	4.6
147.08037	0.8
147.11678	10.6
149.13292	1.6
153.12740	0.3
156.09360	0.4
157.10173	0.4
159.11679	1.8
161.09625	1.0
161.13248	3.8
163.05986	0.6
163.14867	0.9
169.10141	0.7
171.11682	6.4
173.13264	0.9
174.10335	0.3
175.14838	0.3
187.14844	0.6
189.12778	2.9
207.13782	8.0
208.14236	0.3
225.14859	0.4
243.21089	1.0
259.20407	0.4
261.22086	3.3
279.15881	0.9
281.17453	24.7
282.17880	0.4
283.19177	0.5
285.16718	0.3
291.47940	0.4
313.27545	0.3
317.24789	1.0
335.25775	34.8
336.26138	1.1
357.47794	0.3
380.53848	0.3
431.33328	0.4
449.34351	0.9
463.88086	0.3
523.38318	0.5
541.38861	100.0
542.39136	4.5
559.40039	1.3
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
67.05168	1.5
67.05503	22.0
69.03422	1.0
69.07060	3.9
71.04990	10.9
71.08627	11.7
71.21635	0.7
73.02910	1.7
79.05479	4.3
81.03416	1.3
81.07053	41.5
83.04996	1.0
83.08619	6.7
85.02888	5.9
85.06538	5.5
85.10171	7.0
87.04459	0.8
91.03963	3.5
91.05488	6.6
93.07009	5.0
95.08602	13.6
97.02882	3.5
97.06505	1.6
97.10155	3.3
99.08125	0.7
105.07013	3.8
107.08601	4.7
109.10148	7.8
110.95439	0.7
111.08053	0.9
111.11726	1.2
117.07013	1.5
121.10117	1.4
123.11697	8.7
127.03925	1.7
131.08539	1.1
133.10143	7.5
135.11708	1.1
139.57727	0.8
145.04955	1.4
149.13243	1.5
151.11157	4.6
159.11674	1.8
163.06001	1.7
177.12767	1.0
183.13776	1.7
187.13219	3.6
239.23662	1.2
269.17371	3.5
280.78687	0.8
301.20041	15.0
313.27362	11.8
339.18005	0.9
445.23996	1.1
481.38846	61.6
482.39206	1.2
495.40454	2.5
507.40552	6.1
539.43030	100.0
540.43170	1.3
732.80200	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	1.9
68.01697	0.4
69.03427	3.1
69.36850	0.3
69.57962	2.9
70.06617	0.3
71.01348	0.4
71.04996	1.4
73.02917	2.8
79.05493	2.3
81.03416	4.7
81.07056	2.0
83.04980	1.1
83.08614	0.9
85.02898	5.6
87.04517	0.3
91.03962	3.5
91.05476	2.8
93.07054	1.6
95.04960	1.9
95.08617	1.3
97.02888	5.8
97.06544	0.6
101.01797	0.4
101.02354	1.7
104.31799	0.4
105.07024	2.3
105.72260	0.4
107.04978	0.9
107.08601	0.8
109.02916	1.1
109.06546	0.5
109.10172	0.4
111.08106	0.7
119.04904	0.4
119.08584	1.8
121.10181	1.4
123.04431	1.0
127.03947	1.9
129.07002	1.1
131.08566	1.2
133.10178	1.1
135.04500	0.4
137.06015	0.5
139.03931	0.6
147.04454	1.3
147.08073	0.3
147.11703	1.2
147.83824	0.3
149.09677	1.1
157.10147	0.9
161.06126	0.3
167.07050	0.6
171.57495	0.4
175.11205	0.9
185.04233	0.8
190.01912	0.3
193.12195	1.6
197.06485	0.4
202.34766	0.4
203.05351	0.6
211.13327	0.8
225.14841	0.5
243.08392	1.8
251.12721	0.5
267.16083	0.9
269.12402	0.9
283.15170	2.1
307.15488	0.5
339.17816	0.8
347.09341	1.8
363.09164	0.5
365.10675	0.8
405.13614	5.3
469.20389	7.4
501.23056	7.7
622.29681	0.4
630.86603	0.4
631.25793	6.5
663.28308	6.3
729.36957	2.6
771.88153	0.4
891.41888	100.0
892.42151	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	893.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	3.4
69.03426	2.9
69.07067	0.8
69.43118	3.7
71.01355	0.6
71.05010	0.7
73.02911	3.8
78.07652	0.3
79.05485	2.0
79.96054	0.3
81.03427	1.9
81.07056	4.5
81.74128	0.4
82.08763	0.4
83.08632	0.8
85.02895	6.4
85.03358	0.5
87.04468	0.4
91.03949	3.9
91.05477	1.3
93.07047	3.1
95.04972	0.9
95.08087	0.4
95.08598	1.8
97.02884	6.2
97.10163	0.4
97.67123	0.4
98.21533	0.8
99.04457	0.9
101.02395	2.2
105.07055	1.1
107.08585	1.9
109.02876	0.9
109.10165	0.7
115.03942	0.4
117.07015	0.6
119.08576	0.5
121.10163	1.7
124.16486	0.4
127.03883	2.2
131.08603	0.6
133.10114	0.5
135.11728	0.9
145.04953	0.8
149.13297	1.1
159.11740	0.7
161.13240	0.7
161.79643	0.4
226.35286	0.4
235.13014	0.6
243.08357	1.9
271.13794	0.5
273.50421	0.4
285.10406	0.6
317.12726	0.4
335.25781	0.6
347.09464	1.9
365.10696	1.1
405.13687	3.9
409.78873	0.4
420.88522	0.5
453.20813	4.2
461.23297	1.0
501.53183	0.5
519.29175	5.3
615.26093	2.6
681.34509	6.3
681.45203	0.7
723.38336	0.5
731.43463	1.8
893.48553	100.0
894.48438	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.4
67.05503	100.0
69.03422	11.5
69.07064	52.6
71.01334	2.9
71.04984	18.3
71.60419	4.9
73.02922	5.3
79.05491	77.1
81.03416	26.5
81.06576	4.7
81.07053	94.6
83.04972	14.9
83.08622	21.4
85.02908	8.3
85.06524	4.6
90.15647	2.4
91.05482	65.3
93.07039	71.1
95.04965	28.4
95.08604	41.3
97.02882	11.4
97.06532	30.8
97.10155	15.1
99.04456	2.3
103.05462	2.5
105.07027	57.1
107.04939	16.1
107.08589	51.4
109.06499	12.0
109.10157	33.6
111.08057	6.5
115.07566	2.5
117.07007	27.6
119.08577	38.4
121.06502	7.4
121.10139	22.6
123.08057	8.3
123.11726	8.3
125.09608	14.2
127.03914	6.3
128.06215	5.3
129.05539	2.8
129.07011	12.0
130.07790	2.3
131.08572	33.9
133.06516	3.8
133.10124	35.5
135.08081	8.4
135.11671	19.8
137.09602	5.3
141.07005	4.6
143.08557	14.6
145.06499	3.3
145.10126	29.7
147.08066	4.8
147.11705	15.8
149.09616	21.1
149.13261	14.2
151.11169	5.5
155.08568	8.9
157.10158	9.6
159.08131	3.9
159.11679	17.8
161.09654	3.8
161.13232	6.4
163.11143	14.6
169.10146	8.2
171.11737	8.3
173.04465	4.3
173.09637	2.9
173.11754	6.4
173.13269	8.2
175.11186	4.5
177.12793	5.3
179.14336	3.5
181.10120	2.7
183.11723	5.6
185.13255	4.8
187.14923	3.8
189.11174	6.8
189.12808	4.1
193.12260	3.1
195.11711	4.4
195.13843	4.5
197.13327	6.6
199.14879	3.3
210.51595	2.8
227.12794	15.9
229.14334	15.1
229.19604	3.7
239.18094	2.5
242.92784	2.5
255.15945	9.7
257.18997	13.7
267.15799	2.8
269.17462	19.4
273.18597	5.3
275.20010	41.6
287.12012	2.7
291.19568	10.7
293.21173	6.0
331.22610	4.1
349.23721	36.9
367.24942	3.9
409.25897	3.4
413.21411	4.3
418.00577	2.4
423.27509	14.7
431.27997	3.0
433.30658	2.7
445.29764	7.3
449.28802	10.0
463.30612	13.1
481.81726	2.9
503.33545	9.5
525.35889	12.3
529.35229	16.5
543.36725	51.6
561.37811	8.6
589.33435	3.1
593.34485	3.2
607.34222	8.3
623.42975	12.0
639.42737	3.5
641.44025	3.9
687.41296	9.1
705.41486	4.5
887.68640	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	888.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.4
67.05503	100.0
69.03422	11.5
69.07064	52.6
71.01334	2.9
71.04984	18.3
71.60419	4.9
73.02922	5.3
79.05491	77.1
81.03416	26.5
81.06576	4.7
81.07053	94.6
83.04972	14.9
83.08622	21.4
85.02908	8.3
85.06524	4.6
90.15647	2.4
91.05482	65.3
93.07039	71.1
95.04965	28.4
95.08604	41.3
97.02882	11.4
97.06532	30.8
97.10155	15.1
99.04456	2.3
103.05462	2.5
105.07027	57.1
107.04939	16.1
107.08589	51.4
109.06499	12.0
109.10157	33.6
111.08057	6.5
115.07566	2.5
117.07007	27.6
119.08577	38.4
121.06502	7.4
121.10139	22.6
123.08057	8.3
123.11726	8.3
125.09608	14.2
127.03914	6.3
128.06215	5.3
129.05539	2.8
129.07011	12.0
130.07790	2.3
131.08572	33.9
133.06516	3.8
133.10124	35.5
135.08081	8.4
135.11671	19.8
137.09602	5.3
141.07005	4.6
143.08557	14.6
145.06499	3.3
145.10126	29.7
147.08066	4.8
147.11705	15.8
149.09616	21.1
149.13261	14.2
151.11169	5.5
155.08568	8.9
157.10158	9.6
159.08131	3.9
159.11679	17.8
161.09654	3.8
161.13232	6.4
163.11143	14.6
169.10146	8.2
171.11737	8.3
173.04465	4.3
173.09637	2.9
173.11754	6.4
173.13269	8.2
175.11186	4.5
177.12793	5.3
179.14336	3.5
181.10120	2.7
183.11723	5.6
185.13255	4.8
187.14923	3.8
189.11174	6.8
189.12808	4.1
193.12260	3.1
195.11711	4.4
195.13843	4.5
197.13327	6.6
199.14879	3.3
210.51595	2.8
227.12794	15.9
229.14334	15.1
229.19604	3.7
239.18094	2.5
242.92784	2.5
255.15945	9.7
257.18997	13.7
267.15799	2.8
269.17462	19.4
273.18597	5.3
275.20010	41.6
287.12012	2.7
291.19568	10.7
293.21173	6.0
331.22610	4.1
349.23721	36.9
367.24942	3.9
409.25897	3.4
413.21411	4.3
418.00577	2.4
423.27509	14.7
431.27997	3.0
433.30658	2.7
445.29764	7.3
449.28802	10.0
463.30612	13.1
481.81726	2.9
503.33545	9.5
525.35889	12.3
529.35229	16.5
543.36725	51.6
561.37811	8.6
589.33435	3.1
593.34485	3.2
607.34222	8.3
623.42975	12.0
639.42737	3.5
641.44025	3.9
687.41296	9.1
705.41486	4.5
887.68640	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	888.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	2.0
67.05502	56.7
69.03423	1.8
69.07067	17.5
71.04973	3.2
71.33600	2.0
73.02904	4.4
79.05489	36.7
81.03394	3.3
81.07052	72.4
82.07398	1.6
83.04948	4.6
83.08617	13.1
85.02908	14.2
85.06540	3.2
91.03962	10.3
91.05473	26.2
93.07039	50.4
95.04939	8.2
95.08601	31.8
97.02875	8.2
97.06512	5.1
97.10152	2.6
99.04439	2.1
99.08102	1.6
105.07018	12.7
107.08591	25.6
109.06510	1.2
109.10156	12.3
111.08068	3.1
117.07013	9.8
119.08553	7.6
121.06487	1.8
121.10135	17.5
123.11697	6.0
125.09615	1.7
127.03904	3.3
127.34052	1.2
131.08563	11.8
133.10121	15.5
135.11685	13.0
137.13235	1.4
138.12439	1.4
139.11127	1.1
145.04950	2.8
145.10121	4.8
147.11671	5.1
149.13234	14.6
151.11169	1.3
157.10112	1.5
159.11667	10.3
161.13263	3.5
163.06027	3.6
163.11163	1.3
163.14818	2.2
173.13211	4.0
175.14697	1.3
177.12743	2.9
187.14824	1.6
195.13802	9.2
213.14880	1.5
223.13298	1.2
229.14420	1.8
243.21147	2.3
261.22244	12.4
267.15915	2.5
269.17462	75.8
270.17764	1.8
291.19507	2.7
317.24683	2.3
333.85876	1.3
335.25797	65.6
336.26260	2.5
437.34082	3.0
455.35104	1.2
511.37799	2.4
529.38867	100.0
530.39392	7.3
542.94080	1.4
547.39789	3.6
888.50262	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.6
67.05501	45.2
69.03417	2.7
69.07070	11.8
70.65858	1.6
70.66245	1.3
71.04990	3.1
73.02915	3.1
73.32632	0.6
76.45547	0.7
78.55556	0.6
79.05490	28.6
81.03404	2.2
81.07055	53.7
83.04973	2.8
83.08607	7.1
85.02901	11.7
85.06531	2.1
91.03957	6.6
91.05476	18.6
93.07040	32.9
95.04971	4.2
95.08604	24.6
95.09227	0.8
97.02876	5.5
97.06517	4.3
97.10152	2.0
99.04443	0.7
99.08070	1.1
105.07027	10.5
107.08585	20.2
107.09290	1.2
109.02847	0.8
109.06477	1.0
109.10155	12.1
111.08057	2.1
117.07020	6.1
119.08569	7.1
121.06520	1.1
121.10135	14.0
123.11674	3.8
127.03879	2.4
129.07001	0.8
131.08560	9.1
133.10126	11.0
135.08025	1.0
135.11684	9.5
137.09555	0.8
143.08569	0.9
145.04922	3.5
145.10120	4.7
147.04349	1.1
147.11702	3.7
149.09634	0.9
149.13232	8.8
151.11131	1.0
157.10136	1.2
159.11682	6.7
161.13266	3.0
163.06029	3.0
163.14912	1.2
173.13287	2.3
177.12715	1.7
184.98000	0.7
187.14810	1.4
195.13751	4.8
213.14868	1.3
229.14461	0.9
238.42851	0.6
243.21153	2.3
253.14339	1.0
254.14655	1.3
261.22095	7.0
267.15982	1.2
269.17462	43.0
270.17795	0.8
273.18359	0.7
299.23831	0.7
317.24634	1.7
335.25775	72.5
336.26117	1.9
378.70602	0.8
437.34381	2.6
455.35117	2.1
511.37866	1.1
529.38861	100.0
530.39160	5.2
547.39740	2.8
673.43518	1.1
691.43439	0.8
888.49036	2.0
889.49860	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	2.3
67.05503	64.2
67.05849	2.1
68.05809	0.6
69.03437	3.3
69.07066	17.0
71.04995	5.0
71.08593	1.3
71.59934	0.9
73.02907	4.6
76.27139	0.7
77.03883	0.7
79.05489	40.0
79.74895	0.6
80.05824	0.8
81.03417	3.1
81.07054	75.6
82.07361	0.7
83.04980	4.9
83.08620	10.2
85.02901	12.1
85.06502	2.5
91.03960	6.0
91.05476	21.3
93.07041	60.7
95.04974	5.8
95.08604	34.9
97.02890	7.2
97.06005	0.7
97.06529	8.0
97.10184	3.1
99.04420	0.9
99.08042	2.0
101.02320	0.8
103.03953	0.6
105.04448	1.3
105.07037	11.8
107.04928	0.8
107.08593	36.2
109.02828	1.1
109.06471	2.4
109.10158	12.0
111.08073	5.5
113.09618	0.9
117.06340	0.6
117.07009	7.9
119.08578	7.8
121.06467	1.4
121.10143	24.1
123.08035	1.4
123.11683	4.2
124.08768	0.6
125.09597	1.0
127.03860	2.8
129.06937	1.2
131.08569	11.0
133.10124	10.7
135.08008	1.6
135.11687	11.0
137.13205	1.1
139.11096	1.8
145.04933	3.0
145.10109	3.7
147.11729	4.8
149.09584	1.2
149.13249	27.2
151.11087	0.9
157.10080	1.0
159.11685	11.0
161.13239	2.2
163.05980	2.5
163.14774	2.0
167.14317	0.7
173.13214	2.8
177.12747	5.9
177.16299	0.7
187.14798	1.6
195.13794	9.2
213.14803	1.4
243.21086	3.2
261.22128	9.6
267.15900	3.3
269.17471	98.8
270.17841	2.7
304.92340	0.7
317.24771	2.7
332.14392	0.6
333.24252	0.7
335.25787	54.6
336.25949	1.2
378.36557	0.6
435.31076	1.0
437.34122	1.9
455.35294	1.1
469.20770	0.9
470.20752	1.0
511.37888	2.1
529.38879	100.0
530.39117	3.9
547.40186	3.4
592.92676	0.7
632.25732	1.3
660.35724	1.4
888.50037	26.9
889.50519	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	4.6
65.39488	1.4
66.77317	1.6
67.05499	100.0
67.29261	1.5
69.03425	11.9
69.07066	30.4
71.04993	8.5
72.08166	1.9
73.02908	4.8
79.05486	54.6
81.03408	21.6
81.07050	66.8
83.04967	15.7
83.08604	19.8
85.02887	13.5
85.06537	7.3
87.04473	4.0
91.05476	41.0
93.07039	49.4
95.04966	15.8
95.08040	2.6
95.08596	28.3
96.58714	1.4
97.02874	8.0
97.06524	13.0
97.10148	12.4
97.49123	1.4
99.04493	2.3
99.08078	3.9
100.89114	1.6
103.03957	1.7
105.07021	29.2
107.04944	9.5
107.08585	29.8
109.02850	2.3
109.06499	9.5
109.10149	53.5
111.04421	4.5
111.08076	8.2
115.05464	2.3
117.07005	15.5
119.08575	23.2
121.06490	3.8
121.10136	16.4
123.08073	7.2
123.11667	4.1
125.09608	14.7
127.03922	4.4
129.05466	4.1
129.06998	5.2
131.08542	18.0
131.22662	1.6
133.06465	2.8
133.10112	15.4
135.08052	4.9
135.11687	15.3
137.09589	4.9
142.07686	2.6
143.08614	2.2
145.06471	2.8
145.10114	13.7
147.08031	2.9
147.11661	8.9
149.09584	11.7
149.13257	10.0
151.11214	2.1
153.12656	2.2
155.08482	2.3
155.10681	5.0
157.10138	4.5
159.11713	10.0
161.13290	2.0
163.11188	11.0
165.12726	2.2
169.10094	1.9
173.04498	2.0
173.09602	2.8
173.11736	16.4
173.13286	4.4
175.11226	1.9
177.12730	4.4
179.14314	3.3
181.12164	2.4
182.46272	2.1
185.13234	1.8
189.11163	3.8
189.12778	1.9
191.10690	4.0
193.12309	3.3
195.13815	5.7
197.13275	2.2
199.13268	5.1
209.11700	4.7
211.13293	1.7
213.14789	2.1
227.12675	11.3
229.14319	37.9
239.17816	2.3
247.20532	1.8
253.14433	2.0
255.15935	10.4
257.19028	4.7
261.14764	2.7
265.14276	2.3
267.15848	7.0
269.17444	23.0
275.20038	23.7
283.15390	4.4
293.21161	2.2
301.16354	8.0
335.25699	2.4
349.23715	19.2
367.24658	4.4
399.23712	19.5
409.25656	9.3
423.27341	27.4
495.29742	3.8
503.33646	8.9
579.35120	4.6
593.36957	30.0
616.59491	1.7
673.42841	5.8
691.44312	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	888.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.6
67.05503	100.0
67.21436	1.3
68.83166	1.6
69.03425	11.7
69.07065	26.0
71.01347	2.2
71.04979	8.3
72.08147	1.8
73.02911	3.3
79.05489	55.6
81.03419	18.3
81.06571	3.4
81.07054	68.1
83.04973	16.9
83.08611	18.1
83.41107	1.3
85.02911	13.7
85.06541	3.5
86.51453	1.4
87.04463	2.8
91.05480	42.1
93.07040	44.9
95.04956	13.0
95.08599	28.2
97.02892	7.8
97.06522	13.9
97.10179	11.8
99.04460	3.3
99.08094	4.6
103.05432	2.1
105.07027	30.0
107.04940	7.0
107.08585	30.6
109.06525	7.8
109.10149	57.2
111.04446	2.1
111.08071	6.3
115.05456	3.3
117.07011	14.8
119.08571	22.8
121.06519	4.5
121.10146	17.2
123.04398	1.7
123.08067	4.9
125.09625	12.4
127.03912	3.9
129.05486	3.3
129.07024	5.1
131.08566	16.7
133.06413	2.7
133.10123	19.2
135.04405	1.4
135.08040	4.4
135.11705	14.2
137.09610	2.6
141.30760	1.5
143.08580	4.6
143.10678	2.3
145.06401	1.6
145.10103	14.4
147.08110	2.6
147.11697	9.2
149.09647	7.8
149.13280	9.9
151.11154	3.6
153.07343	1.4
153.12782	3.1
155.08519	1.9
155.10733	2.1
157.10085	2.0
159.11684	12.0
161.13196	3.4
163.11176	12.5
171.11639	2.8
173.11755	15.8
173.13170	3.0
175.11136	2.6
177.12724	4.1
179.14236	2.4
181.12259	2.9
185.13223	1.8
189.11275	3.8
191.10692	3.5
193.12263	3.1
195.13803	6.5
199.13304	5.4
203.14336	1.5
209.11668	3.3
215.14384	1.9
227.12807	7.3
229.14346	33.4
229.19464	1.9
239.17993	2.2
247.20523	1.7
255.15814	8.6
257.19022	5.7
259.20621	1.6
260.48123	1.4
265.14301	1.8
267.15906	4.7
269.17499	19.8
275.20038	18.5
283.15393	3.3
291.19589	2.0
301.16330	7.8
335.25858	1.9
349.23694	13.1
367.24844	2.5
389.18951	1.9
390.24033	2.0
399.23834	12.2
409.25754	6.8
423.27365	18.6
495.29559	3.6
502.41232	1.7
503.33789	8.1
529.38922	2.4
579.35291	3.5
593.36865	20.2
633.48621	1.7
673.42926	3.2
888.49799	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	887.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.3
69.03432	3.3
69.07071	0.8
69.60431	1.8
71.04989	0.7
71.08634	1.1
73.02919	3.1
79.05486	2.2
81.03413	2.8
81.07053	3.4
83.04976	0.7
83.08615	1.3
85.02905	5.9
85.10181	1.1
87.04475	0.5
91.03960	3.3
91.05479	2.0
93.07037	2.1
95.04963	1.2
95.08601	2.6
96.08978	0.2
97.02888	5.6
97.06541	0.5
97.10178	0.3
99.04466	0.9
101.02376	1.6
102.76039	0.2
103.03944	0.6
105.07037	1.2
107.08609	1.0
109.02883	1.2
109.10135	1.2
111.08082	0.4
115.03945	0.6
115.47369	0.2
117.07001	0.4
119.08607	1.0
119.38663	0.2
121.10151	1.0
123.11741	0.5
127.03913	2.2
129.06998	0.4
131.08595	0.7
133.10106	1.5
135.11723	0.6
145.05026	0.5
145.10167	0.5
147.11719	0.7
149.09665	0.3
149.13298	0.7
151.11263	0.2
154.32205	0.2
157.10168	0.5
159.11708	0.3
169.31161	0.2
175.11273	0.4
185.04292	0.9
193.12196	1.3
203.05382	0.7
211.13397	0.7
229.14452	0.3
231.09248	0.2
233.39227	0.2
243.08434	1.8
248.98878	0.2
251.12668	0.7
253.14377	0.6
259.08005	0.3
261.22186	0.2
267.09299	0.4
269.10562	0.6
269.17432	1.1
271.68958	0.2
285.10266	0.6
287.11755	0.9
302.72269	0.3
307.15045	0.5
313.27502	0.9
316.11798	0.5
324.11459	0.3
335.25671	1.6
347.09448	1.9
363.09122	0.3
365.10645	1.0
405.13687	5.3
452.23596	0.7
455.23001	2.0
455.73325	0.6
469.20441	7.9
497.30872	4.5
529.38959	3.1
631.25726	6.7
631.35626	0.4
659.36194	4.2
725.44403	2.2
887.49701	100.0
888.49957	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	886.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	47.3
69.03425	7.4
69.06715	1.6
69.07063	20.9
71.04967	4.1
73.02869	1.5
79.05482	23.1
81.03410	8.1
81.07049	29.8
83.04970	5.7
83.08617	10.9
85.02909	5.9
85.06518	2.6
87.04460	2.8
91.05476	15.2
93.07035	16.9
95.04941	7.9
95.08591	12.9
97.02876	8.1
97.06505	3.4
97.10167	13.7
105.03277	1.1
105.07016	12.5
107.04950	7.1
107.08586	12.9
109.06507	3.2
109.10141	32.5
111.08040	2.1
117.07024	5.4
119.08569	14.2
121.06496	3.9
121.10125	5.0
123.08050	3.4
125.09608	13.3
129.05466	3.0
129.06982	2.7
131.08574	9.5
133.06438	2.6
133.10127	8.9
135.08018	2.4
135.11656	3.4
137.09579	2.8
143.08522	2.2
145.10146	7.1
147.08017	6.9
147.11642	3.9
149.09651	3.3
149.13327	1.2
153.09151	1.9
153.12761	1.4
157.10077	2.4
159.07991	1.4
159.11707	1.5
161.09549	2.3
162.10406	1.6
163.11183	4.9
165.09039	1.9
171.11575	1.5
173.11717	9.7
175.11201	1.8
189.11226	3.6
191.10635	1.4
193.12183	2.3
199.13251	4.0
205.12119	1.4
209.11690	3.1
223.13260	14.4
225.79129	1.1
227.12698	7.6
229.14330	28.4
241.81668	1.5
249.14848	3.2
253.14288	2.8
255.17545	1.4
265.14426	1.8
267.15982	2.3
273.18436	13.3
283.15530	2.2
291.19522	100.0
301.16370	8.5
326.39969	1.2
347.22141	2.0
365.23209	33.0
373.50015	1.3
399.23764	11.0
507.32858	2.4
519.33093	26.8
573.33997	2.5
591.35193	5.7
636.44165	1.4
689.42365	11.5
698.58807	1.2
887.47479	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	887.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	8.0
68.05844	0.9
69.03422	4.1
69.07063	1.4
70.95914	0.6
71.04983	1.8
73.02921	3.1
77.12499	0.5
79.05492	5.5
81.03423	4.6
81.07057	8.4
82.07380	0.6
83.04996	1.5
83.08629	1.8
84.89109	0.5
85.02897	6.5
85.06562	0.8
87.04481	1.9
91.03949	2.6
91.05475	4.2
93.07045	5.9
95.04978	2.2
95.08596	2.8
96.08979	0.6
97.02892	6.4
97.06526	0.9
97.10149	0.9
99.04440	1.3
99.08089	0.6
101.02371	1.4
105.07012	3.3
107.04989	0.8
107.08578	2.9
108.08967	0.8
109.02886	1.2
109.06519	1.0
109.10159	3.6
111.08081	1.2
115.03950	1.0
117.07020	0.9
119.08600	2.0
121.10119	2.7
123.08077	1.0
127.03954	1.6
129.06967	1.3
131.08569	1.2
133.10165	1.4
135.11685	0.6
145.10135	0.8
147.11719	1.8
149.09665	1.3
149.13277	1.8
173.09523	0.6
173.11824	0.8
175.11209	1.1
185.04247	0.9
193.12256	1.1
195.13783	0.7
203.05292	0.8
229.14294	2.9
230.14696	1.4
243.08511	2.1
247.13287	0.8
267.16125	1.3
269.17395	4.1
270.17926	2.4
281.17795	0.7
283.15311	2.4
341.99664	0.7
347.09604	2.1
365.10626	1.0
405.13666	4.9
423.27426	5.7
424.27689	5.5
445.45230	0.6
459.01996	0.6
465.20901	6.9
469.20612	1.1
501.23059	8.0
627.26129	5.5
663.28162	7.1
711.28864	0.7
725.36987	1.8
851.46698	0.6
887.42395	100.0
888.42505	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	886.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.5
67.05502	57.8
67.67609	0.8
69.03429	3.7
69.07057	6.9
71.04992	47.6
71.58955	1.2
73.02911	2.8
74.14952	0.7
79.05489	19.5
81.03418	2.9
81.07053	100.0
83.04971	6.6
83.08607	7.7
85.02896	8.6
85.06536	8.0
87.04497	1.3
91.03958	5.2
91.05476	32.8
93.07040	22.6
95.04986	3.8
95.08605	11.0
97.02901	4.7
97.06519	7.5
97.10142	1.9
98.37058	0.8
99.04459	0.9
99.08081	1.9
103.05524	0.9
105.07029	18.5
107.04974	1.1
107.08586	16.7
109.02896	1.6
109.06531	3.5
109.10163	8.3
111.08096	3.7
117.06994	4.9
119.08558	2.2
121.10149	7.3
123.08057	0.7
123.10802	1.4
123.11700	23.0
125.09663	1.0
127.03913	3.0
127.07552	0.8
131.08563	6.2
133.10121	30.0
135.08034	1.8
135.11674	5.8
143.08586	0.8
143.10504	0.8
145.04947	2.4
145.10109	2.0
149.09610	1.3
149.13242	10.6
151.11163	16.8
159.11673	8.6
163.06001	0.9
165.12714	0.8
169.12167	1.3
171.11662	0.9
177.12726	4.5
183.13814	8.3
187.13271	4.5
195.13774	3.8
201.14787	1.3
225.14891	2.9
227.16389	1.0
243.15962	1.9
253.17908	1.1
257.17542	1.9
269.17401	5.2
283.19119	1.1
285.16910	2.0
301.20068	14.5
365.18747	0.8
385.89008	0.9
400.63177	0.9
425.28961	4.9
437.28915	5.7
451.30551	11.3
453.31348	0.8
463.30606	12.4
469.31619	60.4
470.32321	1.8
477.31458	1.8
483.33200	8.5
495.33151	83.4
496.33237	2.6
527.35785	75.5
528.36084	2.2
530.21539	0.8
581.32855	1.2
589.33594	1.1
607.34564	2.7
613.35901	1.3
639.37292	8.2
671.39636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36682	0.8
67.05502	1.9
69.03422	3.1
71.08627	1.3
73.02917	2.3
74.33022	0.9
79.05483	2.4
81.03400	1.6
81.07058	2.4
85.02898	4.8
85.10194	1.3
86.13137	0.8
91.03964	2.6
91.05501	2.2
92.00564	0.8
93.07057	1.3
95.04976	1.1
95.08614	1.5
97.02872	4.3
101.02415	1.8
105.07026	1.0
109.02854	1.0
127.03924	1.4
143.08577	0.8
171.11731	0.8
172.21251	0.9
243.08562	2.6
245.47903	0.8
247.13289	1.5
313.27505	1.3
347.09525	1.9
347.42340	0.9
365.10730	1.5
371.16357	0.9
405.13599	5.3
447.66406	0.8
465.20944	7.7
497.30893	5.1
515.42999	1.0
590.53467	0.9
627.26379	7.4
659.36633	4.5
881.27740	0.9
883.50183	100.0
884.50647	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	886.4637
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	0.7
67.05502	14.3
69.03423	2.5
69.07070	3.5
70.85614	0.6
71.04980	2.4
71.66570	0.3
73.02902	0.8
79.05491	15.8
79.05956	0.8
80.15021	0.3
81.03413	68.4
81.07053	15.8
81.07450	0.2
83.04977	8.2
83.08614	15.0
85.02901	9.6
85.06543	1.3
87.04487	0.4
91.03949	1.5
91.05475	19.8
93.07040	10.1
95.04965	24.1
95.08601	6.4
97.02887	3.5
97.06524	2.8
97.10158	5.1
99.04468	0.7
99.08132	0.6
103.05428	0.4
105.07026	14.4
107.04955	6.6
107.08588	6.6
109.06513	3.8
109.10138	3.1
111.04463	1.7
111.05102	0.3
111.08071	5.9
113.05983	1.1
115.05444	1.1
117.07025	2.1
119.04910	1.2
119.08576	12.8
121.06509	3.7
121.10126	6.8
123.04407	1.2
123.08045	2.1
123.11739	0.8
125.09626	2.9
127.03839	0.3
128.06216	0.5
129.07001	9.7
131.04912	0.9
131.08563	9.1
133.06485	3.4
133.10126	7.3
135.08055	1.2
135.11703	0.8
137.05980	0.8
137.09587	1.6
137.13278	0.4
141.06963	0.8
142.07747	2.1
143.08571	1.2
145.04903	0.8
145.06474	4.8
145.10109	2.7
147.04367	0.8
147.08031	3.6
147.11684	8.8
149.09613	5.1
153.09158	0.7
155.08580	0.8
157.06500	0.9
157.10126	10.3
159.08038	1.0
159.11717	0.5
161.06009	1.0
161.09634	0.8
163.06000	0.8
163.11140	1.4
165.12811	2.4
167.08530	0.5
169.10118	0.6
171.08049	1.3
171.11697	0.9
173.09634	0.7
173.11737	0.4
175.11189	9.3
180.96837	0.3
183.08022	0.5
183.11612	0.7
185.09538	0.7
185.13258	0.7
187.11104	0.8
189.11188	1.0
189.12711	0.8
193.12231	25.5
195.08017	0.4
195.11676	1.1
197.13225	0.6
203.14316	0.5
205.12173	0.7
211.11320	0.5
211.13272	11.7
211.15248	0.7
213.12720	0.8
215.14447	0.6
217.06444	0.3
217.12332	0.5
223.13222	0.8
227.12639	1.0
227.14563	0.7
229.14438	1.0
233.15395	1.1
235.11194	0.4
235.13194	0.5
237.12711	0.7
249.14925	1.8
255.13722	1.8
259.13351	1.0
267.15900	100.0
268.16263	1.1
273.14783	3.9
285.10135	0.4
285.16934	10.9
287.16486	0.6
299.16367	0.4
301.14209	0.9
309.16827	0.8
311.16321	0.6
321.22122	0.4
323.19025	0.5
339.23279	1.1
341.21234	1.5
349.21652	2.4
357.24139	0.8
367.22620	7.8
375.17899	0.6
385.23709	9.8
387.22952	0.4
403.24808	3.0
405.24240	0.8
415.24750	1.3
433.19827	0.6
433.25876	16.7
441.26266	6.8
459.27386	81.1
460.27740	2.3
477.28461	44.1
478.28665	0.8
491.30020	1.0
501.28381	1.8
509.30984	1.4
519.29535	2.9
543.29120	0.8
567.29340	0.4
585.30695	2.5
603.31567	1.4
621.32532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	8.8
68.11624	0.6
69.03418	2.5
69.07072	4.2
71.04991	1.9
71.08630	9.7
72.08140	1.5
73.02903	0.9
79.05486	6.9
81.03410	23.6
81.07053	11.7
83.04974	4.7
83.08622	11.7
85.02897	12.2
85.06561	0.8
85.10180	5.7
91.03947	3.2
91.05477	7.7
93.07040	4.6
95.04964	10.2
95.08608	9.6
95.09177	1.2
97.02865	3.6
97.06544	1.4
97.10158	3.0
99.08067	1.0
105.07037	6.1
107.04984	1.5
107.08570	2.4
109.06499	1.3
109.10151	5.1
111.04427	1.2
111.08053	3.4
113.06010	0.8
119.08580	6.1
121.06492	0.9
121.10139	3.0
123.08048	1.2
123.11688	1.7
125.09651	1.0
127.03912	1.0
129.07019	3.3
131.08569	3.3
133.06543	1.0
133.10127	3.8
135.11632	0.7
135.93620	0.7
137.13348	0.6
142.07759	0.9
147.08061	1.0
147.11690	4.5
149.09622	1.6
157.10114	4.3
163.05959	1.4
163.11197	1.0
165.12793	1.3
175.11168	6.3
193.12233	18.9
211.13274	26.5
211.15265	1.3
225.73848	0.7
229.28061	1.0
239.23743	1.0
245.50639	0.7
267.15869	10.1
285.16946	27.6
313.27347	32.9
314.27713	1.1
412.71661	0.7
412.76956	0.7
446.88419	0.7
448.74506	0.7
505.38809	7.9
523.39917	100.0
524.40411	1.6
551.50043	0.7
580.90942	0.6
671.09216	0.8
806.67657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	0.4
67.05483	0.4
68.99786	2.1
71.59431	0.3
72.36009	0.2
76.14646	0.2
77.03912	0.4
79.01849	3.9
81.03449	0.2
85.02880	0.3
91.05488	0.6
95.04974	0.6
97.02901	0.7
98.97527	0.3
105.03368	0.4
107.01304	1.0
107.04955	1.0
107.08575	0.5
109.02880	0.5
109.42259	0.2
111.00803	0.9
111.04452	0.7
115.05408	0.3
119.04945	0.8
121.02923	0.3
123.04422	30.9
124.04744	0.3
124.23829	0.2
124.76127	0.2
125.02343	2.7
127.03915	3.8
129.06967	0.4
131.04944	0.8
133.06450	0.4
135.04407	2.3
137.02348	1.1
139.03896	8.2
139.05467	0.3
141.01848	0.3
141.06995	0.7
143.03395	6.9
145.02846	0.4
145.06471	0.6
147.04422	3.1
149.02333	0.6
149.05966	0.6
149.09651	0.4
151.03899	11.5
153.01820	100.0
153.02776	3.9
154.02165	1.1
155.04924	0.6
157.06485	0.7
159.04440	0.9
161.02370	0.9
161.05991	1.6
163.03900	9.2
165.05487	0.9
167.03401	0.4
167.04915	0.3
169.06445	1.3
173.05962	2.1
175.03926	1.6
177.05486	1.0
179.03387	5.3
181.06471	0.7
183.04407	0.9
185.05951	1.3
187.03886	3.0
187.07471	0.3
189.05455	2.7
191.03378	1.4
191.14334	0.3
193.04941	2.2
195.04367	0.3
197.06009	2.0
201.05449	2.5
203.03380	2.9
203.07010	0.8
205.04935	0.5
207.02936	0.9
209.05981	0.8
209.15378	0.5
211.03885	0.4
213.05478	2.6
215.03429	0.8
215.07014	1.0
217.04884	1.7
225.05527	1.5
227.07063	0.7
229.04935	4.1
231.02863	0.3
231.06569	0.8
233.04427	0.3
237.05408	1.2
241.04898	2.1
242.05557	0.3
243.06557	1.4
245.04456	2.9
247.06000	7.0
247.08408	0.4
253.04900	1.9
254.05606	0.3
255.06447	2.6
257.04346	1.4
259.06012	13.2
260.06363	0.3
265.04999	1.4
267.06470	0.3
269.04385	0.5
271.05997	48.3
272.06326	1.0
273.04843	0.4
273.07404	1.9
275.05441	0.7
283.06006	10.3
284.06500	0.4
285.07672	0.3
287.05472	10.2
289.07022	1.8
291.05157	0.6
291.08658	1.0
295.05933	1.4
299.05508	3.2
301.07089	0.9
303.05099	1.1
303.08353	0.3
315.04996	0.8
331.04538	3.6
347.09076	0.3
391.08228	0.4
393.09683	14.0
394.09933	0.5
404.21655	0.3
409.09158	14.9
410.09436	0.3
411.10803	1.8
417.09784	0.6
421.08920	1.2
435.10358	0.4
441.07877	0.5
512.84668	0.2
543.12842	0.6
563.11768	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	882.5408
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03903	1.0
67.05496	19.8
69.03421	4.4
69.07059	8.7
70.01457	1.1
70.01855	0.7
71.04984	3.3
71.08623	19.6
73.02911	3.8
73.06531	0.5
79.05482	13.8
81.03407	44.5
81.07046	26.3
83.04970	11.1
83.08607	21.1
85.02893	27.7
85.03660	0.7
85.06542	1.8
85.10173	12.7
87.04431	0.8
89.05997	0.8
91.03951	7.1
91.05469	21.3
91.92809	0.3
93.06484	0.7
93.07028	10.3
95.04955	17.0
95.08594	18.2
95.37757	0.4
97.02299	0.4
97.02882	7.7
97.06517	2.8
97.10163	6.7
97.77287	0.4
99.04411	1.0
99.08044	1.2
99.11684	1.0
103.05359	0.5
103.07571	0.7
105.07018	14.4
107.04932	4.8
107.07945	0.4
107.08572	5.0
109.02856	1.0
109.06518	3.3
109.09470	0.6
109.10140	8.3
111.04436	2.2
111.07370	0.4
111.08069	6.2
111.11665	0.6
113.06026	2.1
115.03913	0.7
115.05412	1.3
117.06981	1.2
119.04832	0.4
119.08567	13.4
121.06480	1.0
121.09316	0.5
121.10127	6.3
123.08064	2.0
123.11671	4.3
125.09557	1.3
127.03910	2.7
127.07490	0.6
128.06207	0.5
129.06142	0.6
129.06987	7.9
131.08556	7.9
133.06454	2.3
133.10106	8.3
135.11659	0.7
135.78789	0.4
137.09525	1.2
137.13226	1.2
139.24216	0.4
142.07748	1.8
145.04912	3.0
145.10057	1.1
147.08041	2.4
147.11668	11.6
149.09610	4.5
151.14801	0.5
157.10110	9.5
157.21056	0.4
163.05988	3.2
163.11119	0.6
165.12727	2.5
165.16335	0.5
175.11166	10.4
193.12216	31.7
194.12469	0.4
211.13263	45.7
212.13535	0.7
239.23665	1.6
249.14729	0.9
257.24734	1.7
267.15884	16.0
271.13766	0.4
285.16925	65.1
286.17264	1.3
313.27319	68.5
314.27850	1.1
395.25641	0.4
447.23703	0.4
505.38834	14.5
523.39886	100.0
524.40326	3.7
628.43738	0.4
667.44104	0.7
705.89081	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	0.7
67.05504	12.2
69.03393	1.9
69.07068	7.6
69.26174	0.4
70.10873	2.2
71.04961	1.7
71.08630	15.1
72.08118	1.9
73.02919	2.3
79.05074	0.5
79.05487	7.6
81.03413	24.8
81.07053	16.2
83.04526	0.6
83.04974	5.2
83.08617	12.5
85.02898	14.6
85.06512	0.9
85.09727	0.5
85.10183	7.9
87.04456	1.1
89.05985	1.0
91.03954	4.4
91.05476	10.9
93.07046	7.0
95.04964	9.6
95.08598	12.3
97.02887	4.9
97.06495	1.7
97.10159	3.7
99.08028	0.7
99.11716	0.6
103.07573	0.6
105.07030	8.1
107.04960	2.7
107.08585	2.6
109.02888	0.5
109.06480	1.8
109.10155	5.3
111.04397	1.0
111.08092	3.6
113.05987	0.8
117.06980	0.9
119.08575	6.2
121.06470	0.7
121.10123	3.2
123.08052	0.6
123.11728	2.9
125.09615	0.6
127.03891	1.6
128.06238	0.5
129.07010	4.7
131.08575	3.8
133.06465	1.2
133.10118	5.2
137.09619	0.7
142.07787	0.6
145.04887	1.7
146.32317	0.5
147.07982	1.1
147.11679	5.7
148.09518	0.5
149.09608	2.7
157.10107	4.9
163.06012	2.4
165.12726	1.1
175.11185	6.2
193.12236	17.1
200.48387	0.5
211.13283	22.8
227.39328	0.5
239.23669	1.8
249.14879	0.5
257.24719	1.6
267.15909	12.2
285.16959	33.0
286.17349	0.8
291.19540	1.2
313.27353	66.7
314.27728	2.2
352.44754	0.5
485.75180	0.6
505.38873	17.1
506.39307	0.9
523.39923	100.0
524.40552	2.2
645.40125	0.5
667.44122	0.6
713.40491	0.8
749.75513	0.5
816.97321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.5
63.11543	0.6
67.05499	17.2
69.03394	2.0
69.07066	7.1
69.30605	6.9
71.04951	2.7
71.08630	20.0
73.02876	2.5
79.05492	16.0
81.03387	2.0
81.07054	22.3
81.07510	0.8
83.04953	2.0
83.08150	0.7
83.08618	12.3
85.02899	4.1
85.06514	1.5
85.09711	0.9
85.10177	12.4
89.05992	1.7
91.03928	2.5
91.05063	0.5
91.05470	5.1
93.07040	27.2
95.04969	4.4
95.08602	39.4
97.02919	4.3
97.06535	2.9
97.10162	3.7
99.04453	4.0
99.07996	0.7
99.11699	0.9
103.07565	1.4
105.07034	6.0
107.04953	6.8
107.08591	23.2
109.06478	1.4
109.10159	8.1
111.04421	0.8
111.08049	1.2
111.11698	0.9
117.07006	6.9
119.08578	8.3
121.06474	4.0
121.10134	11.3
123.11653	1.6
125.05964	2.7
127.03913	1.4
130.07735	1.4
133.10091	2.7
135.08031	2.2
135.11687	41.9
136.12109	0.8
137.13173	1.4
139.07509	1.6
143.08569	0.7
145.10115	23.8
148.70781	0.6
163.11176	55.2
164.11440	0.7
173.09575	1.3
181.12218	8.4
209.11751	1.1
227.12772	57.1
228.13197	1.5
231.69887	0.7
239.23645	1.4
257.24750	1.8
283.15384	91.9
283.46573	0.6
284.15768	1.2
313.27341	87.6
314.27817	2.0
521.38361	100.0
522.38904	3.8
779.02917	0.7
821.66620	0.7
829.11591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.8
67.05498	16.1
69.03415	1.0
69.07066	4.1
70.56153	1.7
71.04974	1.1
73.02921	0.5
73.06548	1.0
77.03901	0.6
79.05486	25.8
81.03410	30.8
81.07050	14.1
83.04981	5.0
83.08608	7.5
85.02898	1.8
85.06535	0.9
91.03953	0.7
91.05470	20.8
93.07030	20.4
95.04955	14.5
95.08595	6.8
97.02876	2.0
97.06533	1.8
97.10167	1.6
98.20712	0.5
100.98984	0.4
105.07019	15.3
107.04955	4.0
107.08584	6.7
109.06487	2.7
109.10143	1.6
111.04404	0.7
111.08052	3.4
113.06036	0.5
115.05501	0.6
117.06998	3.3
119.08561	10.7
119.09354	0.8
121.06502	1.8
121.10136	3.2
123.04416	0.8
123.08067	2.2
125.09583	0.7
127.07509	0.6
128.06261	0.7
129.06990	8.6
131.08531	3.0
131.97829	0.5
133.06490	1.3
133.10130	4.7
135.11647	0.9
137.09645	0.7
139.85320	0.5
142.07777	0.9
143.08542	3.1
145.10074	3.9
147.08044	2.2
147.11674	14.3
149.09648	1.6
153.01776	0.8
155.08643	0.4
157.10143	3.3
161.09615	1.8
161.13225	4.3
163.11105	1.1
170.00983	0.4
171.11681	7.8
175.11182	3.9
189.12750	2.3
193.12239	7.7
207.13762	7.0
249.14874	0.7
267.15878	29.2
269.17471	0.6
281.17447	29.7
296.45132	0.5
301.14224	0.5
306.85114	0.6
381.24445	0.6
421.25552	1.0
447.27060	0.9
455.27997	1.0
456.05420	0.5
473.28952	100.0
474.29315	2.4
491.29791	2.3
492.94135	0.6
515.29852	3.0
581.31006	1.3
617.31488	0.5
650.72046	0.5
653.75500	0.5
822.02960	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.0
67.05492	6.7
69.03436	3.2
69.07053	5.1
71.04999	1.0
71.60201	0.8
73.02911	2.9
75.75671	0.5
77.67946	0.6
79.05493	5.1
81.03411	3.1
81.07051	6.9
82.84276	0.5
82.84811	0.6
83.04982	1.3
83.08616	1.7
85.02892	4.8
85.07368	0.8
91.03964	1.7
91.05479	5.0
93.07030	3.6
95.04966	1.8
95.08586	2.9
97.02903	3.7
97.06539	1.1
97.10162	1.0
98.97576	0.6
99.04428	0.8
101.02325	0.8
103.03962	0.9
105.07021	3.9
107.05006	0.7
107.08588	2.8
109.02876	0.9
109.06566	0.8
109.10165	2.3
117.07046	1.4
119.08609	2.4
121.10139	1.3
125.09608	1.3
127.03949	2.0
129.06995	0.9
131.08571	1.6
133.10150	2.1
135.11749	0.9
143.30406	0.6
145.05035	0.6
145.06479	0.6
145.10156	1.9
147.11723	1.7
149.13210	0.8
159.11682	1.0
163.11215	0.6
164.06987	0.5
173.11742	1.1
185.13249	0.5
229.14282	1.4
243.08368	3.6
275.20096	0.7
281.17538	0.8
291.19745	0.7
333.20038	1.0
351.21210	2.1
389.23373	0.8
439.19424	0.8
520.33826	1.1
551.27979	6.0
555.36566	0.8
569.29260	7.7
781.43787	0.7
879.50665	100.0
880.50671	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	879.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	11.3
65.03921	8.2
67.05166	6.1
67.05505	87.1
69.03076	4.0
69.03423	46.4
69.07067	29.3
71.04974	15.0
71.18971	2.8
71.33573	3.0
71.59243	5.2
73.02902	9.3
79.05490	98.1
81.03413	100.0
81.07050	98.8
83.04964	25.5
83.08617	14.4
85.02901	30.1
85.06516	6.1
91.03952	3.1
91.05477	94.7
93.07035	96.3
93.07623	6.9
94.07325	4.3
95.04967	30.1
95.08609	56.0
97.02892	42.9
97.06528	11.9
97.10139	6.2
97.41290	3.7
99.04460	18.1
101.02380	6.0
105.04497	4.1
105.07025	76.5
107.04951	26.4
107.08584	42.1
109.02873	26.2
109.06525	11.5
109.10139	23.4
111.04427	7.9
111.08077	8.5
115.05452	5.5
117.07005	33.3
119.08593	40.9
121.06516	7.1
121.10149	24.6
123.08078	7.2
123.11715	3.7
125.09628	6.2
127.03915	32.8
128.06245	8.1
129.05484	9.8
129.06987	30.0
131.08556	34.3
133.06479	11.2
133.10132	31.7
135.08061	11.2
135.11726	9.0
137.09586	4.7
141.06914	7.3
143.08566	24.4
145.04939	4.1
145.06508	8.5
145.10136	36.2
147.04413	6.6
147.08063	8.1
147.11684	34.8
149.06004	4.1
149.09616	10.0
149.13243	11.6
151.11118	4.5
155.08542	8.2
157.10120	15.6
159.08073	4.9
159.11697	17.9
161.09555	10.5
161.13298	15.6
163.11194	7.8
165.06956	3.5
169.10153	10.5
171.08121	8.3
171.11665	30.4
172.59319	3.2
173.04443	43.1
173.09555	5.5
173.13257	9.1
177.12744	4.7
183.08067	4.0
183.11690	6.4
185.09702	3.8
185.13208	6.5
188.12889	4.2
189.09174	4.3
189.12752	7.2
195.11752	5.1
195.13715	3.8
207.13788	24.9
227.12755	4.4
229.14362	3.8
247.20615	6.4
257.18973	13.0
275.20020	37.3
281.17462	59.0
287.16443	6.1
291.19614	4.1
293.21179	8.4
321.24283	5.3
331.22687	3.6
333.20651	4.4
341.03821	3.7
349.23657	18.2
351.17920	3.4
428.18906	4.6
447.31161	6.1
475.30518	35.7
482.83337	3.4
493.27670	5.7
527.37616	6.2
537.35492	9.2
555.36841	58.1
573.37579	4.6
619.34991	16.9
635.39667	4.5
699.40582	12.3
717.41925	12.3
746.10809	4.1
781.40027	4.3
879.50641	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	878.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	4.0
65.03931	1.6
67.05505	30.8
69.03413	1.3
69.07066	12.2
69.29403	10.2
71.04971	1.3
71.08629	21.4
72.75852	0.9
73.02903	2.1
73.06539	2.3
77.03915	1.1
79.05492	43.1
81.03419	4.8
81.07056	30.2
83.04982	7.2
83.08616	11.3
85.02907	5.8
85.06532	1.7
85.10183	12.6
89.06024	1.2
91.03947	4.1
91.05481	32.7
93.07040	45.1
95.04969	12.2
95.08604	30.2
95.09045	0.5
97.02867	3.8
97.06522	3.2
97.10145	6.1
99.11715	1.2
103.07578	1.0
105.04567	1.6
105.07030	27.2
106.07347	1.0
107.04954	2.5
107.08585	11.3
109.06519	2.0
109.10148	8.7
111.08073	1.1
117.07011	4.6
119.08576	15.9
121.06484	2.8
121.10131	2.4
123.08052	4.5
123.11686	3.5
127.03886	1.3
127.07534	1.0
128.06209	1.4
129.07021	9.8
131.08592	2.0
133.10120	7.6
135.11726	2.0
137.13220	2.0
143.08554	7.0
145.10132	8.5
147.08009	2.0
147.11685	28.1
161.09627	2.7
161.13239	10.9
163.11185	0.9
171.11676	18.6
189.12750	6.7
207.13815	17.1
239.23627	1.7
257.24820	1.9
272.60269	1.1
281.14252	1.4
281.17471	50.5
313.27374	52.9
519.40436	100.0
520.40515	3.6
537.39484	1.0
554.42444	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.1
65.03937	0.6
67.05504	4.5
69.03427	1.7
69.07057	3.1
69.59526	0.5
71.05000	1.3
71.59018	1.0
71.59399	0.7
73.02915	2.0
79.05499	3.5
81.03411	1.6
81.07041	4.0
83.04968	1.4
83.08603	1.2
85.02899	3.3
91.03951	1.4
91.05479	2.7
93.07024	2.9
95.00491	0.6
95.04990	1.5
95.08634	2.4
97.02876	3.0
97.06548	1.3
99.04395	0.6
101.02390	0.9
105.07050	1.8
107.04942	0.8
107.08597	1.3
109.02852	0.7
109.06516	1.0
109.10184	1.8
110.48414	0.5
117.07060	1.2
118.58664	0.6
119.08621	1.6
121.10129	1.0
123.08168	0.8
125.09640	0.7
131.08611	0.7
133.10144	1.6
135.08078	0.8
135.11710	0.9
136.56384	0.6
137.02422	0.6
145.10130	0.8
243.08365	2.7
301.08890	0.7
331.67529	0.7
333.20471	1.1
349.19885	1.6
371.16721	0.7
405.22504	0.6
439.19580	1.4
549.26917	1.2
551.28735	3.8
567.27747	4.6
569.29578	1.0
666.43811	0.6
779.41034	1.3
794.60242	0.7
877.49066	100.0
878.48853	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	877.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.1
65.03937	0.6
67.05504	4.5
69.03427	1.7
69.07057	3.1
69.59526	0.5
71.05000	1.3
71.59018	1.0
71.59399	0.7
73.02915	2.0
79.05499	3.5
81.03411	1.6
81.07041	4.0
83.04968	1.4
83.08603	1.2
85.02899	3.3
91.03951	1.4
91.05479	2.7
93.07024	2.9
95.00491	0.6
95.04990	1.5
95.08634	2.4
97.02876	3.0
97.06548	1.3
99.04395	0.6
101.02390	0.9
105.07050	1.8
107.04942	0.8
107.08597	1.3
109.02852	0.7
109.06516	1.0
109.10184	1.8
110.48414	0.5
117.07060	1.2
118.58664	0.6
119.08621	1.6
121.10129	1.0
123.08168	0.8
125.09640	0.7
131.08611	0.7
133.10144	1.6
135.08078	0.8
135.11710	0.9
136.56384	0.6
137.02422	0.6
145.10130	0.8
243.08365	2.7
301.08890	0.7
331.67529	0.7
333.20471	1.1
349.19885	1.6
371.16721	0.7
405.22504	0.6
439.19580	1.4
549.26917	1.2
551.28735	3.8
567.27747	4.6
569.29578	1.0
666.43811	0.6
779.41034	1.3
794.60242	0.7
877.49066	100.0
878.48853	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	877.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.9
66.81155	0.4
67.05495	1.7
69.03419	1.1
69.07059	1.2
72.08154	0.6
73.02905	0.9
79.05482	1.6
81.03440	0.5
81.07048	1.5
85.02905	1.3
91.03943	1.0
91.05483	1.1
93.07035	1.5
95.04972	0.6
95.08575	0.6
97.02901	1.6
98.21590	0.9
105.07037	0.9
107.08598	0.8
109.10208	0.4
109.95204	0.3
127.03970	0.4
128.33159	0.3
129.05522	0.5
131.00079	0.5
131.08572	0.6
133.10196	0.4
135.11673	0.6
145.10127	0.6
149.01242	1.2
159.49893	0.4
161.13268	0.4
167.02307	0.5
169.14960	0.4
190.39978	0.4
210.31767	0.4
229.51706	0.4
243.08392	1.3
269.10477	2.0
287.11700	0.8
293.05453	0.6
301.08926	1.6
311.11624	0.6
331.15628	0.6
333.20438	0.9
349.16714	2.0
356.08105	0.4
367.18054	0.5
373.11130	0.5
385.18362	1.4
412.32480	0.4
413.17096	0.4
439.19382	0.8
453.20786	0.7
481.20404	0.8
487.18704	1.8
541.22473	2.7
551.28137	2.8
553.29639	0.5
567.25519	2.0
583.30524	0.7
585.25464	0.8
623.30212	1.2
625.32123	0.9
637.31873	0.6
693.38525	0.9
723.39368	1.0
749.40356	1.2
791.41821	7.7
859.48077	1.5
877.47296	100.0
878.47235	2.9
884.01349	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	875.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
62.03637	0.4
67.05497	1.6
69.03448	0.4
69.07074	0.6
71.30317	0.7
71.30663	0.6
72.08152	0.4
79.05487	1.2
81.07066	1.3
91.05439	1.1
93.07043	1.0
94.64072	0.5
95.04973	0.5
95.08617	0.7
105.07047	0.9
107.08634	0.6
119.08556	0.5
121.10262	0.5
133.10132	0.5
143.08592	0.4
167.79721	0.4
207.11790	0.4
220.18121	0.4
265.42307	0.5
266.17960	0.5
307.33139	0.4
490.16864	0.5
565.24231	1.2
567.26245	0.8
875.45490	100.0
876.45715	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	877.4696
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	0.5
67.05490	1.4
69.03413	0.9
69.07051	0.8
71.04970	0.7
71.60126	0.6
72.08147	0.5
73.02920	0.9
79.05470	1.8
81.03405	0.7
81.07047	1.4
83.08600	0.6
85.02892	1.4
91.03947	0.6
91.05459	1.1
92.12559	0.4
93.07024	1.4
94.32250	0.4
95.04983	0.4
95.08578	1.1
97.02876	1.1
105.07021	0.8
107.03196	0.4
107.04911	0.4
107.08588	0.6
109.10150	0.8
119.08560	0.7
127.03907	0.5
131.24271	0.5
135.07806	0.4
145.10130	0.6
149.01204	0.7
158.16927	0.5
185.22087	0.5
192.30995	0.4
243.08299	0.9
259.12610	0.5
269.10666	1.2
287.11609	0.8
293.05450	0.7
315.10361	0.6
349.16830	1.4
365.22906	0.5
367.17728	0.6
374.23575	0.5
487.18747	0.5
535.28912	0.7
551.28180	0.7
567.24884	1.4
583.30646	1.2
585.26135	0.5
679.73456	0.5
745.66125	0.5
791.42603	1.9
859.46869	0.7
877.47076	100.0
878.47577	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	874.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	4.9
62.47568	2.7
64.96429	1.7
65.03933	3.0
67.05499	100.0
67.92756	1.8
68.90845	1.9
69.03416	6.6
69.06716	3.1
69.07065	40.3
71.04984	9.6
72.08131	4.0
73.02886	2.7
79.05059	3.7
79.05489	61.3
81.03414	12.2
81.07051	98.8
83.04944	8.6
83.08611	20.3
85.02887	7.4
85.06527	5.4
91.03896	3.3
91.05471	49.2
93.06464	3.6
93.07036	64.0
95.04945	16.0
95.08042	3.4
95.08598	42.3
97.02859	9.3
97.06531	21.5
97.10159	13.7
99.04421	3.0
99.08056	5.4
99.51383	2.0
99.94032	1.8
105.07022	44.7
107.04945	14.5
107.08581	56.2
109.02832	2.7
109.06490	11.6
109.07135	2.2
109.10143	42.1
111.08062	8.6
115.05433	2.1
115.65867	1.8
117.07019	17.0
119.07749	1.6
119.08567	37.9
121.06487	6.3
121.09326	2.3
121.10131	26.6
123.08039	7.7
123.11694	7.8
125.09620	17.3
127.03905	2.8
127.07581	2.6
129.05545	2.6
129.06979	7.4
131.08546	22.7
133.10124	37.4
135.08040	7.7
135.11668	17.6
137.09570	5.4
139.11171	3.1
143.08548	6.1
145.06493	2.4
145.10114	25.2
147.08125	3.5
147.11659	21.5
149.09605	16.4
149.13242	21.0
151.11180	6.6
155.08522	5.7
157.10104	8.2
159.11681	19.2
160.60060	1.8
161.09566	2.6
161.13228	4.4
163.11160	11.1
165.09103	2.0
165.12715	2.3
169.10107	8.1
171.10280	2.2
171.11659	6.8
173.04507	2.6
173.11720	7.9
173.13242	8.8
175.11145	3.3
177.12733	5.4
179.14296	3.8
183.11639	4.5
185.13202	4.7
187.14728	2.2
189.11139	9.1
195.13736	9.3
197.13203	2.4
201.16380	2.4
209.13188	2.1
213.08015	2.2
227.12791	20.2
229.14282	18.9
229.19485	4.8
239.17897	6.0
245.13678	2.0
247.20473	4.3
255.15895	6.2
257.18945	10.5
259.20642	2.9
261.15244	1.7
267.15851	4.7
269.17444	36.8
273.18387	2.2
275.20035	64.8
285.10147	5.4
291.19556	3.5
293.21103	7.2
349.17044	3.6
349.23709	54.7
350.07037	2.0
365.23438	2.2
367.24771	14.7
409.25760	3.7
423.27420	18.5
445.30225	2.3
449.28830	16.6
463.30560	30.5
503.33743	22.0
521.34552	4.1
525.35663	7.1
527.36792	2.3
529.34741	6.6
543.36749	51.1
547.35809	2.4
561.38068	13.6
607.35150	3.1
623.42920	15.9
641.44189	13.2
875.45917	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	874.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	6.7
62.96355	0.9
65.03906	1.2
67.05500	42.9
69.03414	1.8
69.07057	14.2
71.01332	1.0
71.04980	3.0
71.59795	1.9
73.02908	2.4
79.05486	34.2
81.03419	1.6
81.07051	33.2
83.04980	11.6
83.08617	6.2
85.02884	7.7
85.06518	2.2
90.02917	0.7
91.03950	4.2
91.05471	16.7
93.04819	0.7
93.07037	44.1
95.04967	4.6
95.08596	26.4
96.65063	0.9
97.02886	3.7
97.06525	8.7
97.10149	5.1
99.08071	1.7
102.65608	0.8
105.07021	10.8
107.08587	28.2
109.06489	1.3
109.10146	13.3
111.08076	3.4
117.07001	5.2
119.08566	10.1
121.06487	1.7
121.10139	14.3
121.11012	1.0
123.08092	1.5
123.11709	3.6
125.09628	1.8
127.03912	2.1
129.06981	1.2
131.08562	5.3
133.10115	7.3
135.08134	1.0
135.11679	33.5
136.56544	0.7
137.13248	0.9
143.08563	0.8
145.04938	1.6
145.10088	8.4
147.11661	3.4
149.13248	4.4
153.12727	8.4
157.10132	1.1
159.11641	3.9
160.85754	0.8
161.13239	2.8
163.06020	2.4
163.11182	6.0
163.14804	1.6
173.13261	3.7
175.14824	1.2
181.12212	9.9
185.13329	1.2
187.14912	1.3
189.11281	1.4
192.26903	0.8
199.13257	1.4
227.12701	1.8
227.20036	1.0
243.21054	3.2
255.15897	55.4
256.16263	1.0
261.22116	9.6
273.22247	1.2
289.25110	0.8
317.24652	2.6
335.25781	66.4
336.26025	1.4
414.21875	0.9
423.32419	2.9
425.32794	0.8
441.33508	2.1
497.36566	1.0
515.37292	100.0
516.37366	3.1
533.38550	5.2
559.04297	0.9
611.67645	0.8
666.08026	0.9
669.48834	1.0
707.28168	0.9
789.38983	1.1
874.44238	4.9
875.45575	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	872.536
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	3.3
65.03921	4.3
67.05503	81.7
67.10674	1.2
69.03416	13.8
69.07064	43.4
71.05000	12.9
72.08149	1.7
73.02905	3.2
79.05490	76.8
81.03418	20.7
81.07053	100.0
83.04980	15.1
83.08615	18.4
85.02899	7.7
85.06537	5.6
87.44327	1.5
91.05476	59.4
92.54643	1.7
93.07039	67.7
95.04422	2.4
95.04970	22.4
95.08043	2.6
95.08606	37.0
97.02915	8.7
97.06527	42.9
97.10162	18.4
98.20723	3.0
99.04456	2.5
99.08089	5.4
103.05418	2.3
105.04515	1.7
105.07029	50.0
107.04951	16.9
107.08588	44.1
108.41122	1.7
109.02865	2.8
109.06519	17.3
109.10153	27.8
111.04436	6.1
111.08094	11.4
113.06032	3.5
115.05444	2.3
115.07558	8.3
116.06246	1.9
117.07008	23.3
119.04926	2.2
119.08582	36.0
121.06489	9.8
121.10132	22.2
123.04397	1.7
123.08063	13.3
123.11703	6.7
125.09633	17.9
127.03908	4.3
127.07576	1.5
128.06219	3.8
129.07039	13.6
131.08565	26.7
133.06468	6.1
133.10138	35.0
135.08052	12.9
135.11673	18.4
137.06010	1.4
137.09586	8.2
139.07516	2.3
139.11133	3.3
141.07027	3.7
142.07729	2.3
143.08549	15.2
145.04947	1.7
145.06473	3.8
145.10106	28.3
147.08054	9.1
147.11670	15.4
149.06039	1.9
149.09613	15.5
149.13234	11.7
151.11176	6.3
153.09102	3.6
153.12775	4.1
154.07765	2.2
155.08499	5.3
157.10156	12.3
159.08055	3.1
159.11681	19.1
161.09647	7.3
161.13264	4.6
163.11189	15.5
165.09106	1.6
165.12639	1.7
169.10074	5.4
171.07994	2.5
171.10233	3.4
171.11649	6.7
173.04526	3.4
173.09613	4.5
173.11823	2.6
173.13287	6.8
173.83258	1.7
175.11166	5.3
175.14777	1.5
177.12735	5.5
179.14374	1.8
181.10081	1.9
181.12332	3.7
183.11688	3.8
185.09567	2.9
185.13277	3.9
187.11115	2.9
187.14792	2.5
189.11275	11.2
189.12766	3.2
193.12271	2.6
193.91914	1.6
195.13747	6.3
197.13260	3.6
199.11113	1.7
199.14771	3.3
203.14223	2.0
205.12216	2.1
207.13704	1.8
213.12646	1.8
215.17900	2.0
217.15881	3.2
221.15390	1.9
223.13284	5.5
227.12756	19.2
227.17960	3.9
229.14258	9.2
229.19528	1.6
233.15393	3.9
239.18013	3.0
245.13617	2.8
245.18968	5.5
249.14639	2.3
253.14372	10.8
255.15573	8.7
257.18918	8.2
263.20044	1.9
267.15854	3.5
269.17490	37.2
273.18469	36.5
275.20053	32.3
283.15222	3.5
289.17844	1.7
291.19525	62.6
293.21213	2.9
309.20670	4.3
329.21130	2.6
347.22150	13.5
349.23685	22.7
365.23215	34.8
367.24857	5.7
383.24133	8.7
433.29013	1.6
439.26831	2.0
449.29324	3.0
463.30576	3.6
465.28888	2.2
477.46799	1.7
486.22589	2.7
501.31863	1.8
519.33240	20.5
541.35223	10.1
543.36371	5.6
545.34503	6.7
559.36346	38.3
563.35663	4.2
577.37280	13.3
620.75519	1.6
621.41083	4.3
639.42560	17.1
654.42035	1.7
657.43665	10.2
670.19305	1.6
675.44586	2.1
873.44788	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	872.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.0
65.03929	7.6
67.05499	100.0
69.03429	11.9
69.07063	65.4
71.04995	8.7
72.08154	7.5
73.02912	1.8
79.05486	71.5
81.03406	16.7
81.07050	85.1
82.07381	1.5
83.04968	13.1
83.08611	21.2
85.02898	9.9
85.06525	5.2
87.04469	1.6
91.05474	69.9
92.94820	1.2
93.07036	65.4
95.04963	22.2
95.08601	54.8
97.02876	8.8
97.06526	21.6
97.10173	18.1
99.04417	2.3
99.08064	4.1
103.05427	2.0
105.04530	1.3
105.07022	56.6
107.04942	15.7
107.08587	44.5
109.02898	2.0
109.06501	9.4
109.09445	2.6
109.10145	32.1
111.04429	3.4
111.08060	7.1
113.09629	2.4
115.05446	4.5
117.07004	22.2
119.08572	39.1
121.06485	7.3
121.10139	21.1
123.04377	1.9
123.08024	7.0
123.11710	5.1
125.09612	14.4
127.03884	5.3
128.06187	3.3
129.05447	4.1
129.07018	9.7
130.07823	1.6
131.08560	26.6
133.06430	3.7
133.10121	33.2
135.08026	8.7
135.11682	14.8
137.09596	14.9
139.11168	1.4
141.06979	4.2
142.07753	3.3
143.08549	9.2
145.06439	2.5
145.10107	22.4
147.08034	4.3
147.11659	21.2
149.09610	28.9
149.13220	9.7
151.11183	3.7
153.09073	2.5
155.08548	4.8
155.10609	2.0
157.10141	8.9
159.08015	1.7
159.11694	19.1
161.09607	3.2
161.13255	7.9
163.11174	13.6
163.14748	1.4
165.09085	2.4
165.12724	1.9
169.10161	4.7
170.05695	1.6
171.10258	3.0
171.11665	9.2
173.04398	2.6
173.09624	2.1
173.11705	7.1
173.13254	9.1
175.11194	4.1
175.14859	2.0
177.12764	6.2
179.10577	1.6
179.14291	7.7
181.10161	1.6
181.12065	1.5
183.11676	5.4
185.13225	2.8
187.11163	4.1
187.14816	2.8
189.11177	8.8
189.12714	2.8
193.12207	2.1
195.11694	2.6
195.13791	3.7
197.13188	3.6
201.12689	2.4
203.14194	1.7
205.12318	1.8
211.14845	1.9
213.12810	1.3
215.14258	1.7
221.15367	1.6
223.13080	2.7
227.12767	11.6
227.17799	2.1
229.14221	9.4
229.19542	4.4
230.95271	1.4
239.17873	4.2
243.15932	1.7
247.20535	3.3
253.14174	2.6
253.17990	3.0
255.15900	5.7
257.18976	10.3
259.20337	1.6
267.15872	2.7
269.17474	13.3
272.19995	2.2
273.18533	3.5
275.20050	42.7
287.20135	1.5
291.19531	7.7
293.21103	5.2
313.21585	1.9
321.24512	1.7
331.22739	2.3
333.13135	1.5
335.25845	1.4
349.19736	2.3
349.23734	40.6
365.22940	5.9
367.24728	2.8
409.26108	1.6
423.27371	2.6
445.29477	3.2
503.33646	2.5
511.34265	1.7
527.37067	3.9
529.35236	5.7
543.36584	13.1
623.42865	7.6
641.43335	2.0
657.42957	1.7
703.40796	6.4
767.72858	1.5
779.59967	1.6
851.75293	1.5
872.54962	2.8
873.44983	6.7
888.56451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	1.4
65.03923	2.9
67.05499	70.4
69.03418	10.6
69.07061	39.0
71.05003	6.5
73.02895	1.6
79.05486	57.1
81.03411	12.5
81.07050	80.0
82.48161	1.5
83.04970	12.3
83.08607	24.4
85.02898	6.1
85.06544	4.9
91.03987	1.5
91.04900	1.3
91.05473	39.6
93.07035	54.1
95.01305	1.4
95.04965	19.0
95.08598	31.5
97.02880	11.7
97.06523	19.5
97.10164	22.8
99.04447	1.9
99.08082	2.3
103.05412	2.0
105.04464	1.8
105.07015	34.9
107.04953	14.2
107.07852	2.1
107.08584	40.4
108.08932	1.7
109.02867	1.9
109.06508	11.2
109.10145	26.6
111.04435	7.5
111.08083	8.5
113.06007	1.9
115.05431	3.5
115.07521	1.6
117.06999	21.0
119.04906	1.5
119.08569	32.8
121.06515	8.5
121.10138	18.6
123.04442	2.9
123.08055	12.3
123.11710	2.2
125.09615	21.4
127.03885	2.6
127.07500	1.3
128.06200	2.4
129.05511	2.2
129.07014	7.7
130.78381	1.2
131.08551	21.5
133.06416	3.1
133.10121	19.8
135.08034	10.5
135.11699	12.2
137.09608	6.8
139.11215	1.9
141.07019	2.6
143.08513	9.6
145.06467	3.1
145.10095	19.5
147.08049	9.8
147.11687	11.6
149.09595	15.0
149.13214	9.4
151.11165	4.2
153.09125	4.0
153.12737	2.1
155.08578	3.3
157.10138	8.8
159.08054	3.0
159.11644	10.9
161.09544	5.9
161.13242	2.9
163.11140	13.3
165.09135	3.0
165.12720	2.8
167.08517	1.4
169.10118	3.0
171.10350	1.6
171.11736	5.3
173.04497	2.3
173.09641	2.1
173.11717	4.3
173.13240	3.8
175.11174	4.9
177.12746	4.1
179.14246	1.5
181.12276	2.6
183.11716	3.0
185.13200	2.5
187.11104	1.9
187.14816	1.7
189.09671	1.8
189.11203	9.7
189.12692	2.1
191.10568	2.8
193.12242	3.5
195.11584	1.6
195.13773	2.3
197.13210	2.0
199.11334	1.4
199.14822	2.0
205.12244	1.8
207.11752	1.5
209.13408	1.2
211.13210	1.5
211.14931	1.9
213.16451	1.6
223.13213	13.6
227.12752	25.1
227.18001	2.6
229.14227	11.6
231.13762	1.7
233.15210	1.3
239.17957	2.9
245.13863	1.9
245.18983	4.1
247.20576	1.3
249.14815	3.3
255.15656	2.4
257.18973	7.4
267.15771	3.3
269.17447	22.4
273.18536	27.6
275.20023	34.4
283.15250	2.0
291.19516	100.0
293.21088	2.7
309.20602	4.8
323.00824	1.4
331.22571	3.0
347.22131	9.9
349.23669	30.8
365.23169	53.4
367.24780	9.3
383.24237	6.8
436.41089	1.5
439.26846	2.9
461.28903	2.6
519.33130	28.7
541.35181	8.0
543.36633	4.0
545.34448	3.9
559.36176	43.6
560.36548	1.6
577.37299	7.2
621.41125	4.5
639.42511	33.6
657.43646	18.8
681.36963	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40594	2.1
62.67525	2.3
65.03929	4.5
67.05502	68.9
69.03421	7.7
69.07066	33.0
71.04983	8.6
74.74899	1.9
77.03902	2.3
79.05055	4.9
79.05490	68.3
81.03415	15.6
81.07054	100.0
83.04975	23.1
83.08128	3.2
83.08617	38.0
85.02898	9.9
85.06529	4.9
88.62729	2.2
91.05475	53.9
92.35413	2.1
93.06465	3.7
93.07036	57.1
95.04962	63.1
95.08598	31.8
97.02914	3.0
97.06541	17.2
97.10161	26.3
98.20710	5.3
99.04449	7.8
99.08115	6.0
103.05466	2.7
105.07025	42.6
105.17973	2.5
107.04972	21.1
107.08590	44.6
108.08889	2.1
109.02863	2.4
109.06503	19.3
109.10130	18.5
111.04418	18.3
111.05116	3.2
111.08057	15.4
117.07005	21.9
119.08574	40.3
121.06524	14.1
121.10149	32.6
123.04413	3.5
123.08060	19.1
123.11705	3.2
125.09637	23.9
128.06229	4.3
129.06999	12.3
131.08546	26.1
133.06467	4.1
133.10115	30.6
135.08046	11.8
135.11707	13.9
137.09598	6.7
139.11198	3.1
141.06996	3.3
143.08582	9.2
143.10616	2.6
145.06549	2.7
145.10124	33.3
147.08047	11.0
147.11678	15.3
149.09602	28.5
149.13254	6.3
151.11156	4.3
153.09068	2.9
153.12747	5.4
155.08566	2.9
157.10155	6.9
159.08006	2.9
159.11699	16.0
161.09578	10.8
161.13249	5.7
163.11163	32.4
165.09114	4.2
165.12709	4.9
169.10100	3.6
171.11684	6.8
173.09613	6.3
173.13263	4.5
175.11183	6.6
177.12746	6.2
181.12169	7.2
183.11751	3.8
185.13147	2.7
187.11154	4.1
187.14833	3.0
189.11230	21.7
189.12773	3.5
191.10638	5.2
193.12222	4.3
195.11720	3.1
197.13289	4.7
205.12103	3.7
217.15903	2.4
223.13309	26.3
227.12769	19.1
239.18037	3.3
245.19043	3.7
247.20514	2.9
255.17616	3.0
257.18979	8.1
269.17575	6.4
273.18481	33.0
275.20044	46.4
283.15396	5.4
291.19516	62.8
293.21152	27.4
307.83279	2.7
309.20630	5.5
331.22656	2.3
344.33514	2.6
347.22220	13.5
349.23770	29.8
365.23254	47.7
367.24789	47.5
383.24362	18.0
488.23322	2.8
519.33026	2.7
559.35754	3.0
621.41321	9.8
639.42340	32.3
657.33521	3.3
657.43573	36.7
675.44623	19.1
724.85767	2.8
746.06665	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	871.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.2
67.05488	4.1
69.03429	4.0
69.07067	0.9
69.55348	2.2
71.01373	0.4
71.04986	3.2
73.02902	4.0
79.05492	3.8
79.91872	0.3
80.04559	0.3
81.03402	2.2
81.07050	4.3
83.04977	0.6
83.08611	0.8
85.02901	6.8
85.06581	0.5
87.04477	0.8
91.03944	4.3
91.05479	3.4
92.05874	0.3
93.07035	3.7
95.04984	1.4
95.08621	1.5
97.02883	5.6
99.04458	0.8
101.02361	2.1
105.07014	2.8
107.08607	1.5
109.02891	1.1
109.10174	0.8
115.03899	0.4
117.07037	0.7
119.08604	0.8
121.10130	0.6
123.08030	0.4
123.11739	0.8
127.03905	2.1
128.82248	0.3
129.06964	0.7
131.08580	0.7
133.10120	1.8
135.11685	0.6
143.08551	0.5
145.04927	0.5
145.10129	0.9
147.11743	1.3
149.13289	0.5
151.11194	0.9
159.11653	0.7
161.13263	0.7
163.98221	0.3
171.11758	0.9
185.04271	0.7
185.50099	0.4
187.13327	0.7
189.12820	0.4
195.13850	0.5
207.13911	0.6
219.01910	0.4
243.08441	1.9
243.15700	0.4
247.13081	1.1
257.17697	1.0
267.15680	0.8
269.17639	0.4
281.17590	0.4
287.11688	0.5
303.15714	0.8
323.18277	0.5
339.58505	0.4
347.09448	2.5
349.16946	0.5
363.09235	0.6
365.10699	0.9
380.37592	0.4
405.13690	5.8
441.21307	0.6
444.20224	1.2
447.23178	0.7
453.21091	0.5
465.20905	7.6
485.23578	7.0
627.26251	6.2
647.28656	6.7
709.37787	2.1
871.42853	100.0
872.42950	4.0
876.73529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	55.6
69.03113	1.3
69.03419	9.4
69.07065	47.3
69.42773	1.8
69.43116	14.6
72.08157	2.5
73.02921	2.8
77.43884	1.8
79.05495	37.5
81.03420	12.8
81.07055	43.8
83.04533	1.5
83.04964	8.7
83.08635	9.9
85.02922	2.2
91.03962	1.9
91.05476	38.6
92.05888	1.7
93.07047	33.3
95.01340	1.5
95.04961	15.7
95.08604	32.9
97.02885	11.0
97.06535	14.4
97.10176	13.0
99.08080	3.4
103.05479	2.1
105.07030	28.2
107.04953	12.8
107.08596	21.5
108.71366	1.5
109.06518	5.8
109.10153	23.6
111.04454	2.4
111.08098	5.2
113.09609	1.6
115.05483	2.7
117.06999	11.1
119.08581	19.7
121.06509	6.5
121.10108	8.4
123.08067	5.7
125.09647	11.2
129.07014	7.2
131.08540	15.9
133.06502	5.5
133.10103	16.1
135.08060	6.3
135.11708	6.3
137.09595	11.8
141.06950	1.8
143.08571	4.7
145.06505	2.0
145.10127	11.4
147.08034	7.2
147.11687	7.1
149.09610	14.4
149.13297	1.9
150.87027	1.5
151.11168	1.5
153.09221	1.7
155.29472	1.8
157.08786	2.3
157.10168	4.4
159.11684	8.8
161.09656	2.9
161.13263	5.6
163.11188	5.6
165.09155	2.3
169.10149	3.2
171.11674	3.6
173.11742	4.0
173.13185	3.7
175.11250	3.9
177.12773	2.7
179.14352	3.2
187.11165	2.6
189.11238	5.8
189.12790	2.4
193.12289	1.9
195.13847	2.3
203.14311	1.6
205.12233	2.1
211.13297	2.6
223.13281	16.6
227.12776	6.7
229.14360	4.4
233.15089	1.8
239.17955	2.6
249.14877	3.2
257.19037	5.0
263.20117	1.7
269.17139	2.0
273.18405	15.3
275.20059	24.8
291.19540	100.0
331.22845	2.0
347.21838	1.6
349.23743	26.4
361.25766	1.9
365.23233	29.5
461.29092	3.2
485.90817	1.9
519.33167	7.4
543.36676	4.7
639.42603	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	2.0
65.03928	0.8
65.17237	0.4
67.05502	23.9
69.03413	1.7
69.06719	0.6
69.07063	7.6
71.04998	2.4
72.08141	0.6
73.02911	1.3
79.05491	17.0
81.03414	42.0
81.07052	32.5
81.07435	0.4
82.07386	0.6
83.04971	4.2
83.08133	0.9
83.08615	13.8
85.02905	3.5
85.06528	2.5
91.03944	1.9
91.05472	14.2
93.07040	24.4
95.04965	14.0
95.08599	8.7
97.02871	2.8
97.06528	5.0
97.10168	1.7
99.04477	0.7
99.08095	1.7
105.07023	7.6
105.98801	0.5
107.04964	2.9
107.07861	0.7
107.08589	13.4
107.09290	1.0
109.02836	0.5
109.06538	2.7
109.10143	2.5
111.04425	1.1
111.08074	6.2
113.09637	0.4
115.05446	1.3
117.07018	4.3
119.08575	7.2
121.06477	2.7
121.10137	10.0
123.04468	1.0
123.08064	1.3
123.11700	1.2
123.46882	0.4
125.09616	1.3
127.03882	0.9
129.06999	4.6
131.08574	6.6
133.06493	1.5
133.10118	5.5
135.08076	1.3
135.11699	4.0
139.11189	0.7
142.07794	1.0
145.04959	0.5
145.10124	1.3
147.04405	0.7
147.08052	1.8
147.11673	4.7
149.01297	0.5
149.09636	3.1
149.13251	12.8
151.11182	1.1
156.00061	0.4
157.10121	5.1
159.11655	5.3
163.05991	0.7
163.11192	1.0
165.12723	0.9
175.11174	5.5
177.12758	2.8
193.12248	12.4
195.13863	3.4
207.75230	0.4
211.13315	1.8
213.14897	0.5
215.84715	0.5
217.15802	0.6
235.12953	0.5
249.14859	1.4
267.15906	42.1
268.16248	0.8
269.17468	42.2
281.10721	0.5
285.16937	0.8
301.14053	0.5
309.16858	0.6
369.24435	0.6
387.25409	0.7
415.36029	0.4
417.26291	0.6
435.27512	5.2
443.28149	1.3
453.28409	0.5
461.28964	100.0
462.29306	3.6
479.30222	4.1
503.30127	3.6
511.32251	1.9
557.31140	0.6
569.31006	1.7
587.32086	1.4
605.33337	0.6
870.38062	1.1
871.37720	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4687
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	10.6
61.91651	0.8
65.03932	3.1
67.05503	71.1
68.05856	1.1
69.03420	6.5
69.07069	12.7
70.06579	1.1
71.04992	24.3
71.60668	1.7
73.02907	4.0
73.06548	1.0
78.39030	1.0
79.05053	1.8
79.05492	30.7
81.03416	48.3
81.07053	100.0
83.04979	15.1
83.08619	22.1
85.02417	1.9
85.02905	28.7
85.06531	12.2
87.04482	1.7
91.03961	8.6
91.05476	49.4
93.07039	31.7
95.04967	21.0
95.08601	17.7
95.09158	1.5
97.02885	10.3
97.06526	7.1
97.10185	5.5
99.08081	2.7
105.07025	27.1
107.04967	8.1
107.08586	17.4
109.02874	1.7
109.06538	6.9
109.10146	10.2
111.04470	3.0
111.08077	11.9
113.05988	2.7
115.05448	1.7
117.06999	5.2
119.08577	17.9
120.53150	1.0
121.06522	2.8
121.10125	14.1
123.08054	3.3
123.11699	16.8
125.09625	3.6
127.03918	4.1
129.05463	1.2
129.06999	9.5
131.08572	15.1
133.06493	3.3
133.10126	32.0
135.08044	1.7
135.11694	4.7
137.09604	2.4
142.07759	2.4
143.08553	1.0
145.04977	4.1
145.10136	2.3
147.04396	1.2
147.08055	3.8
147.11668	15.1
149.09605	5.7
149.13239	7.9
151.11165	10.4
157.10123	13.2
159.11726	6.5
163.06053	3.0
163.11180	1.9
165.12787	3.5
167.40599	1.0
169.12270	1.2
171.11673	1.4
173.04401	1.9
175.11182	14.1
177.12743	4.0
183.13791	4.0
187.13280	5.9
193.12239	34.8
195.13843	4.0
211.13284	31.4
225.14934	3.8
229.14218	1.1
243.15945	4.4
251.16415	1.5
253.18044	4.6
257.17480	2.2
267.15918	20.9
268.16263	1.3
269.17441	22.0
283.15433	1.6
285.10083	1.4
285.16946	16.7
301.20001	16.8
351.23227	1.1
357.53494	0.9
417.26447	3.1
435.27435	36.5
436.27774	1.7
443.27875	4.2
445.24231	1.2
453.28467	69.2
454.28845	2.2
461.28970	84.2
462.29309	3.0
467.29959	10.8
479.30017	91.7
480.30203	3.7
493.31784	5.1
511.32706	55.2
512.32806	1.4
580.00397	1.2
582.15906	1.0
623.33807	3.3
655.36963	5.7
871.38885	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	14.3
64.68323	1.0
65.03918	2.4
67.05498	46.0
69.03435	10.5
69.07059	12.2
71.01350	1.5
71.04984	8.9
71.60017	1.2
71.60534	1.4
73.02914	8.7
79.05484	45.8
81.03410	93.3
81.07046	50.0
82.04196	4.2
83.04974	23.8
83.08611	30.4
83.09102	1.7
84.02096	1.5
85.02896	40.5
85.06540	3.2
87.04444	1.3
91.03963	10.2
91.05475	45.7
93.07037	30.9
95.04964	41.4
95.08602	14.6
97.02888	17.5
97.06514	10.1
97.10155	15.7
98.07298	4.9
99.04433	1.9
99.08078	2.8
101.05960	1.4
103.05431	1.7
105.07018	30.4
107.04940	13.4
107.08587	17.5
108.05883	1.3
109.02869	1.8
109.06513	8.5
109.10134	16.2
111.04420	5.8
111.08082	20.0
113.05967	3.2
115.03860	1.9
115.05442	2.4
116.04708	10.7
117.06985	6.0
119.08566	28.1
121.06487	3.9
121.10126	15.1
123.08059	5.5
123.11726	3.0
125.09616	17.0
127.03922	4.9
127.11149	1.7
129.05486	25.8
129.06970	14.3
131.08543	20.7
133.06465	4.7
133.10118	17.7
135.08043	3.0
135.11688	8.8
137.09605	3.8
142.07787	2.9
143.07002	5.8
145.04927	3.6
145.10098	8.0
147.04370	3.0
147.08046	5.4
147.11682	19.6
149.09599	9.6
149.13354	1.2
151.11131	2.1
153.09074	1.4
153.12746	4.0
155.08537	2.5
157.08609	12.8
157.10124	21.8
157.11301	2.0
158.05739	2.3
163.06033	3.7
163.11224	10.7
165.12791	5.4
170.18523	1.3
171.06621	2.4
171.10136	4.2
173.09618	3.3
173.11739	7.0
173.13098	1.5
175.11174	22.7
181.12245	4.2
185.08096	1.9
185.11768	2.1
189.11205	8.3
191.10666	4.9
193.12227	82.8
199.09726	1.2
199.13260	18.1
209.11649	11.8
210.12619	1.5
211.13266	100.0
219.13835	1.2
227.12738	19.2
229.14363	4.9
247.13292	2.6
249.14998	1.8
255.15826	3.4
265.14185	1.6
267.15891	34.8
267.18576	2.5
272.74347	1.5
283.15350	16.5
285.16928	68.3
286.17383	1.3
301.16431	58.7
339.17950	3.1
408.94806	1.3
409.25793	8.1
421.25854	1.6
427.26953	7.5
439.26886	28.0
459.27347	5.5
459.83490	1.2
461.28751	2.2
475.26849	6.0
476.27908	2.6
477.28378	4.7
479.30237	1.6
493.27979	21.2
494.28586	6.6
511.28952	76.9
512.29187	2.4
554.42487	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
62.89103	0.6
65.03935	2.2
67.01868	1.0
67.05492	1.3
67.34361	0.6
68.99789	6.7
69.03408	0.8
71.20101	1.4
77.46209	0.6
79.05484	1.6
79.58223	0.5
81.03420	4.0
83.04964	0.9
85.02902	2.0
89.03911	1.6
91.05477	1.4
93.03406	0.6
95.04953	2.1
97.02905	1.2
98.97612	0.6
99.04436	1.3
103.05501	0.9
107.04955	5.2
108.58272	0.6
109.02856	4.4
111.00782	5.5
111.04433	6.5
117.03342	1.5
119.04924	1.9
121.02836	1.7
123.04418	57.5
124.04701	1.0
127.03904	100.0
131.04919	3.6
135.04402	55.3
136.04744	0.6
137.02356	3.9
137.05971	1.2
139.03886	46.1
141.06966	1.4
143.04915	0.9
145.02792	0.7
146.99596	0.8
147.04385	7.0
149.02327	6.9
149.05972	2.4
151.03883	12.9
153.01797	2.1
153.07072	0.9
155.04919	1.5
157.06494	1.3
159.04404	3.8
161.05972	4.0
163.03889	55.5
165.01877	0.6
165.05449	4.7
167.03389	5.9
169.04968	2.3
169.06487	2.0
173.02402	0.9
173.05995	5.2
175.03923	2.9
175.07585	1.0
177.04062	0.6
177.05473	7.8
179.03398	7.9
181.04997	0.9
181.06458	1.1
183.04465	1.8
185.05986	2.1
187.03853	7.0
187.07529	0.7
189.05463	4.0
191.03368	8.4
191.07005	0.7
193.05011	1.9
197.05959	4.1
198.98596	0.8
199.03905	0.7
201.05441	8.5
203.03387	11.5
203.07042	2.7
205.05023	2.7
207.02802	1.1
209.05949	0.6
213.05441	2.7
215.03462	2.0
215.06981	3.5
216.03938	0.6
217.04930	3.0
219.06494	1.1
223.02370	1.5
225.05499	2.6
227.03545	0.7
227.07060	0.7
229.04921	10.2
229.07013	1.0
231.02950	1.1
231.06560	1.8
233.04466	4.1
237.02847	0.8
237.05441	2.1
241.04967	2.2
243.03072	0.9
243.04158	0.7
243.06517	5.6
245.04440	51.5
246.04832	1.0
247.06003	42.8
253.04820	3.0
255.06412	2.9
257.04434	14.9
258.05222	1.8
259.06000	10.0
261.07544	1.9
263.05579	1.9
265.04996	1.3
269.04437	3.6
271.05988	24.6
273.04242	0.6
273.07718	1.8
274.04706	2.9
275.05447	18.7
279.06442	0.7
281.04617	1.6
283.05951	11.9
285.04025	1.4
285.07419	0.9
287.05450	18.7
289.07040	30.5
291.05655	1.1
291.08621	16.5
295.05930	3.2
297.03888	2.6
297.07214	0.8
299.05432	4.9
301.07031	12.2
303.08624	1.8
305.05215	1.2
307.06003	1.6
309.03925	2.2
309.07327	0.8
311.05435	2.3
313.06985	3.8
317.06827	0.8
319.06076	0.6
321.04114	1.0
323.05505	2.2
331.08078	1.6
335.05426	0.7
349.06784	0.7
351.04971	3.0
361.06693	1.1
363.08716	1.0
365.06476	1.6
367.08191	0.7
375.04868	0.7
377.06485	1.5
379.07748	3.2
381.10239	0.7
383.07578	2.9
389.06522	2.5
391.08179	2.1
393.05881	4.2
395.07529	1.2
397.09113	5.3
405.05771	3.6
407.07571	19.8
409.09122	23.2
410.09238	1.1
411.10739	3.9
415.07764	0.7
419.07581	4.2
421.09076	3.7
425.08652	7.6
427.10184	14.2
431.07858	1.1
433.09250	2.0
435.11200	1.0
437.08636	7.8
439.10129	1.8
449.08670	2.4
451.10297	4.1
453.11780	0.9
517.11218	2.7
525.08618	1.6
527.09790	3.7
534.99359	1.3
535.12817	1.0
541.11029	1.2
543.10248	2.0
545.10638	5.4
557.10687	1.2
559.12195	0.7
569.08881	0.6
571.12134	1.7
577.13293	1.2
579.14911	4.3
589.13361	0.8
679.14355	1.9
697.15161	3.9
715.16809	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.6
67.05503	1.4
68.99789	8.9
70.58488	1.7
79.05484	0.9
81.03403	4.5
83.04956	0.8
85.02905	0.9
89.03908	2.2
91.05469	0.9
93.03378	0.9
95.04959	2.8
96.16016	0.6
99.04433	1.1
103.05488	0.8
105.03366	1.7
107.04933	5.5
109.02883	4.1
111.00809	8.3
111.04421	6.9
112.73762	0.6
115.05413	0.8
117.03371	1.6
119.04930	2.0
121.02856	2.5
123.04422	59.3
127.03910	100.0
129.06975	0.9
131.04933	3.9
135.04411	55.7
136.06328	0.7
137.02312	4.8
137.05980	0.9
139.03896	46.1
141.07002	1.8
143.04892	1.1
145.02837	0.6
145.06476	2.0
147.04401	7.5
149.02324	7.7
149.05972	2.7
150.03035	0.5
151.03900	14.4
153.07025	1.1
155.04883	2.0
155.06093	0.8
157.06535	0.8
159.04399	5.6
161.02458	0.6
161.05965	6.0
163.03899	56.3
165.01833	1.5
165.05476	5.0
167.03372	5.7
169.04980	1.9
169.06519	2.0
173.05971	7.1
175.03906	3.1
177.05457	7.3
179.03404	7.7
181.04947	1.4
181.06451	1.2
183.04433	1.9
185.05975	2.0
187.03838	8.2
187.07480	1.3
189.05490	3.0
191.03381	10.9
191.07112	0.6
193.04948	2.3
197.05997	5.3
201.05464	9.3
203.03380	11.4
203.07040	2.6
205.04962	3.4
207.02759	0.9
207.06554	0.8
213.05441	3.6
214.06343	0.6
215.03342	3.1
215.06952	2.9
216.04073	0.6
217.04984	2.7
219.06480	0.7
223.02403	1.8
223.52460	0.6
225.05486	2.4
227.07066	1.4
229.04948	11.9
229.07005	1.0
231.02843	1.3
231.06503	2.4
233.04445	5.8
237.05495	1.7
241.04959	2.5
243.06540	7.4
245.04445	54.1
247.06009	45.2
248.06284	0.7
251.05392	1.1
253.04967	3.7
255.06560	2.5
257.04422	14.0
258.05231	1.4
259.06036	10.7
261.07581	2.6
263.05460	1.7
265.04910	1.4
267.06482	1.0
269.04495	4.3
269.08163	0.7
270.05093	0.7
271.06018	27.7
273.07611	2.4
274.04733	2.1
275.05484	17.5
279.06577	0.8
281.04495	2.3
283.05984	11.9
285.04028	2.0
285.07349	1.0
286.04648	0.7
287.05466	21.4
288.05704	0.8
289.07043	25.7
291.08630	17.3
293.07578	0.7
295.05963	3.2
297.03931	1.9
299.05533	5.6
301.07025	13.5
303.05267	0.8
303.08707	2.1
305.04395	0.7
305.08002	0.7
307.06158	1.0
309.03973	2.0
311.05588	2.1
313.07071	2.0
316.57275	0.6
317.07788	0.8
319.05759	0.7
323.05481	4.0
331.08185	1.3
335.05414	1.0
337.06979	0.7
351.04938	2.6
361.07059	1.8
363.04825	1.3
363.08792	1.2
365.06564	1.6
367.08054	0.9
377.06534	1.1
378.30341	0.6
379.08121	3.4
383.07733	3.4
389.06592	2.1
391.08267	2.1
393.05838	4.4
395.07755	1.9
396.08395	1.0
397.09155	6.4
401.06339	0.7
405.05966	4.7
407.07556	18.5
409.09149	25.7
410.09445	0.7
411.10635	3.9
417.06033	0.9
419.07840	4.0
421.09036	2.9
425.08612	7.1
427.10284	14.0
431.07507	1.1
433.09119	1.7
435.10837	1.2
437.08563	6.2
439.10199	2.2
449.08640	1.8
451.10184	4.5
453.12085	0.8
517.11450	1.3
527.09686	3.2
535.12189	1.7
541.11371	1.2
545.10742	5.1
559.12073	1.4
571.12567	1.8
577.13220	1.4
579.15167	4.8
589.12939	0.9
679.14429	1.3
697.15149	3.1
715.15570	1.4
880.08832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02374	0.5
65.03930	2.0
67.05512	1.2
68.99784	8.7
69.60925	4.4
73.32996	0.6
77.03923	0.7
79.05495	1.3
81.03416	4.4
83.04969	1.1
85.02885	1.5
89.03863	2.7
91.05454	0.8
93.03374	1.0
95.04942	2.3
99.04451	1.5
102.48520	0.5
103.05491	0.7
105.03375	1.2
107.04933	6.0
109.02861	4.1
111.00790	7.4
111.04437	7.6
115.05502	1.3
117.03355	1.9
119.04924	1.5
120.63380	0.5
121.02849	1.9
123.04417	59.8
127.03905	100.0
129.06996	1.1
131.04903	3.4
132.20387	0.5
133.06502	0.6
135.04407	56.9
137.02333	4.8
137.05972	1.6
139.03886	42.6
141.06975	1.1
143.04890	0.6
145.02879	0.7
145.06483	1.3
147.04382	8.5
149.02335	8.8
149.05952	2.5
151.03896	13.1
153.01840	1.2
153.05368	0.6
153.06940	0.9
155.03442	0.7
155.04895	2.1
157.06458	1.1
158.57611	0.5
159.04411	4.3
161.05971	5.1
163.03894	59.1
165.01775	1.2
165.05486	4.5
167.03395	5.6
169.04953	2.5
169.06479	2.1
171.04399	0.7
173.05968	5.2
175.03905	3.3
175.07620	0.7
177.01855	0.9
177.05426	8.0
177.64734	0.6
179.03357	7.9
180.03693	0.5
181.04889	1.7
181.06522	1.7
183.04376	2.0
185.05971	2.1
187.03854	7.5
187.05219	0.5
187.07465	0.7
189.01836	0.6
189.05394	3.4
190.02637	0.6
191.03369	10.3
191.07082	1.0
193.04935	2.0
197.05933	5.2
199.07593	0.6
200.04626	0.6
201.05446	10.9
203.03387	13.7
203.07030	2.5
205.04970	3.5
207.02873	1.0
207.06546	1.1
210.60959	0.5
211.03970	0.6
213.05481	3.1
215.03368	3.3
215.06927	3.4
217.04984	2.4
219.06526	1.3
223.02327	1.6
225.05313	2.8
227.03406	0.9
227.06995	1.2
229.04926	13.7
231.06549	2.3
233.04468	4.6
235.02235	0.6
237.05457	1.3
241.04892	3.3
243.02829	1.1
243.06464	6.8
244.03889	0.6
245.04433	67.3
247.05994	46.9
251.05408	1.4
253.04845	2.9
255.02763	0.7
255.06528	2.3
257.04428	17.8
257.07053	1.2
258.05103	1.0
259.06009	10.0
261.07632	2.3
263.05472	1.6
265.05035	1.9
267.06448	1.4
269.04404	5.6
270.05353	0.7
271.05988	26.5
272.06747	0.7
273.04120	1.0
273.07532	1.4
274.04703	3.8
275.05457	20.4
279.06485	0.7
281.04391	2.1
283.05972	11.9
285.03903	2.3
285.07339	1.1
287.05453	21.6
289.07037	27.4
291.05658	0.9
291.08643	12.9
293.04596	0.8
295.06030	2.4
297.04001	1.7
297.07364	0.8
299.05426	6.1
301.07059	10.5
303.05304	1.0
303.08585	1.5
307.06000	1.8
309.03973	2.4
309.07184	0.7
311.05472	2.4
311.08908	0.6
313.07040	2.0
316.61118	0.7
319.05942	0.6
321.07544	1.0
323.05621	2.7
327.05127	0.8
331.08041	1.7
333.07544	1.3
335.05399	1.2
339.08661	0.7
341.06445	0.9
345.07382	1.0
349.07007	0.9
351.05023	2.9
361.06995	1.0
363.08749	0.9
365.06555	2.1
367.08292	1.2
373.06885	0.7
377.06583	1.2
379.07916	4.2
383.07666	3.1
389.06595	2.7
391.08081	3.2
393.05875	4.6
395.07559	2.4
396.08328	0.9
397.09082	6.3
403.08105	0.9
405.05951	4.1
407.07608	21.5
409.03671	1.2
409.09116	23.7
411.10867	4.1
419.07513	5.0
421.08966	2.7
425.08521	8.8
427.10223	11.2
431.07733	1.4
433.09100	2.0
435.11163	0.9
437.08560	8.0
439.10153	1.5
449.08649	1.9
451.10208	3.5
517.11102	1.9
527.09778	3.1
535.11975	0.8
541.11133	1.9
545.10876	6.2
557.10608	1.4
559.12219	1.6
571.11646	1.2
577.13428	1.4
579.14917	3.6
679.14349	1.8
697.15192	3.5
699.16266	0.9
715.16138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05644	1.1
61.02924	6.5
65.03913	1.3
67.05504	37.2
67.05869	1.8
69.03420	1.5
69.07066	16.9
71.04979	3.7
71.08628	18.8
72.08191	1.2
73.02906	3.9
79.05489	17.5
81.03424	1.4
81.07056	46.0
83.04980	2.9
83.08613	13.7
85.02904	8.6
85.06531	3.2
85.10175	9.7
89.06016	1.3
91.03953	4.8
91.05472	9.7
93.07040	31.6
95.04956	2.8
95.08598	23.4
97.02889	4.8
97.06534	6.2
97.10175	4.6
98.21481	2.7
99.08063	1.4
102.38924	0.9
105.07043	3.0
107.08588	16.8
109.06528	1.4
109.10156	8.7
111.08092	6.0
111.11688	1.1
117.07040	4.0
121.10145	11.8
123.11710	2.7
127.03928	2.1
129.52963	0.9
131.08559	5.8
133.10127	4.3
135.08020	1.2
135.11671	5.8
135.12579	0.8
139.11197	1.2
139.34451	0.9
145.04948	1.8
147.04404	1.2
149.13252	22.5
159.11693	7.7
163.06027	1.5
167.14330	0.9
177.12735	3.4
180.40514	1.0
190.02850	1.0
195.13823	7.6
201.92694	0.8
239.23660	1.9
269.17471	92.2
270.17865	1.3
282.29736	0.8
313.27353	49.2
503.41153	0.8
505.58047	0.9
507.40436	100.0
508.40659	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	866.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.0
65.03944	0.9
67.05499	24.9
69.03408	1.8
69.07068	5.8
71.05003	8.8
73.02893	0.9
78.01172	0.5
79.05486	27.1
81.03419	3.2
81.07050	35.5
83.04979	4.8
83.08608	4.4
85.02891	3.1
85.06555	3.4
91.03956	1.4
91.05473	19.8
93.07036	22.7
93.07626	1.2
95.04959	7.7
95.08598	9.8
97.02882	2.3
97.06509	3.6
97.10153	0.8
105.04537	0.6
105.07029	12.9
107.04929	1.2
107.08583	9.1
109.06505	2.6
109.10136	3.7
111.08065	1.3
115.05473	0.5
117.07001	4.2
119.08577	8.3
119.09357	0.9
121.06527	1.1
121.10136	4.8
123.07975	1.1
123.11736	4.0
127.03909	0.8
127.07478	0.7
127.32300	0.5
129.06972	4.3
131.08517	2.8
133.06435	0.5
133.10112	8.8
135.08047	0.9
135.11674	1.9
140.26498	0.5
141.06940	0.7
143.08577	2.4
145.10120	3.8
147.08038	1.4
147.11671	9.9
149.13245	4.3
151.11159	2.8
159.11716	2.7
161.09618	1.0
161.13251	3.8
171.11693	7.2
177.12729	1.1
179.16966	0.5
183.13808	0.9
187.13354	1.8
189.12691	2.7
195.13757	0.6
207.13757	6.0
222.12209	0.5
225.14771	1.5
251.16417	1.0
269.17465	3.6
281.17444	8.4
301.20099	4.0
316.27853	0.6
403.28204	1.0
445.24115	0.9
449.28979	18.4
463.30634	2.3
475.30521	100.0
476.30988	2.1
507.33102	13.8
619.34448	1.2
642.18646	0.7
642.55133	0.6
651.37518	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	865.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	6.1
65.03934	6.5
67.05503	96.0
69.03429	37.3
69.07061	18.5
70.60211	3.5
71.01327	5.9
71.04994	7.9
71.59803	5.9
75.61230	3.9
79.05491	89.4
81.03413	49.4
81.07055	85.6
83.04977	22.0
83.08630	13.2
85.02902	30.2
87.04450	4.1
91.05476	74.5
93.07040	100.0
95.04973	33.9
95.08604	55.7
97.02897	33.3
97.06526	6.5
97.10208	5.4
99.04449	7.7
99.42586	4.2
101.02391	6.5
103.05436	4.3
105.07025	48.8
107.04971	12.8
107.08587	40.0
109.02856	8.6
109.06497	8.7
109.10160	24.3
117.07024	25.6
118.15910	3.9
119.08579	33.3
121.10138	29.4
121.72572	4.0
123.08068	5.6
123.11700	3.8
127.03910	21.6
128.06244	9.2
129.05504	6.1
129.06998	27.5
131.04884	4.8
131.08556	25.9
133.06485	5.1
133.10103	18.6
135.11710	10.8
139.04170	4.8
143.08542	10.7
145.04993	6.8
145.06445	6.9
145.10152	23.0
147.07999	9.5
147.11702	29.0
149.13277	9.2
157.10127	4.4
159.11795	8.8
161.09612	6.2
161.13261	16.9
167.08574	5.3
169.10136	8.3
171.08057	4.0
171.11719	15.7
173.04382	8.7
173.13203	8.9
181.10223	4.6
187.10953	5.1
189.12764	9.0
207.13828	19.5
259.16992	7.2
261.22153	7.9
269.15155	5.1
279.16101	5.5
281.17465	30.6
287.16476	10.0
314.28058	5.1
335.25824	98.7
425.21710	7.5
491.41992	5.3
541.38898	95.2
579.26678	4.3
594.08002	5.6
618.13971	4.2
621.41815	6.7
703.42230	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	863.512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	3.5
67.05507	4.8
69.03421	2.6
69.07071	2.8
71.04984	0.8
72.08163	2.1
73.02926	2.9
77.69272	0.4
79.05495	5.3
81.03429	1.7
81.07048	5.6
83.04980	0.8
83.08630	1.4
85.02899	4.0
91.03944	2.2
91.05477	4.5
93.07043	5.7
95.04990	1.2
95.08606	2.4
97.02881	3.9
97.06556	0.8
97.10180	0.5
99.04456	1.0
101.02377	1.4
105.07023	4.0
107.04964	0.8
107.08599	3.1
109.02890	1.0
109.06556	1.0
109.10175	1.8
117.07039	0.9
119.08585	2.5
121.10107	2.2
123.11661	0.5
125.09685	0.7
127.03899	0.9
129.06946	0.6
131.08553	1.0
133.10152	1.7
135.11699	1.0
137.09659	0.4
145.10188	0.5
147.11725	1.1
149.13263	0.8
153.01857	0.6
159.11696	0.8
161.13248	0.6
171.11723	0.5
173.13345	0.8
185.04234	0.8
201.03888	0.5
229.90880	0.5
243.08423	2.7
263.09613	0.5
301.09091	1.3
315.10861	0.7
333.19815	0.6
335.26056	0.4
345.70325	0.4
347.15915	0.6
351.21481	2.5
365.16431	0.9
449.25208	0.4
450.22141	0.5
465.21350	1.0
476.21088	0.5
476.72214	0.9
511.16077	1.0
535.28882	5.2
541.22217	0.6
569.29358	6.6
612.81506	0.7
641.31683	0.7
739.53009	0.6
863.51208	100.0
864.51410	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	861.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.2
67.05501	4.0
69.03427	2.5
69.07063	3.6
71.01368	0.4
71.04986	0.8
71.12110	0.6
73.02912	2.6
78.27454	0.2
79.05491	3.2
81.03419	1.9
81.07051	4.9
83.04970	1.1
83.08626	0.8
83.42428	0.2
84.24277	0.2
85.02894	3.4
85.06505	0.2
87.04430	0.3
91.03947	2.2
91.05470	3.4
91.05998	0.3
93.07041	3.1
95.04977	1.0
95.08593	2.4
97.02886	3.0
97.06543	0.7
97.10165	0.6
99.04475	0.6
101.02390	1.2
103.03979	0.3
105.07022	1.9
107.04946	0.4
107.08586	2.0
109.02890	0.7
109.06557	0.4
109.10176	0.5
117.07024	0.9
119.08553	1.2
121.10136	0.7
123.11681	0.4
125.09644	0.4
127.03933	0.9
129.07045	0.2
131.08530	1.2
133.10164	1.0
135.11716	1.0
140.95799	0.2
145.10118	0.7
147.11708	0.6
149.09599	0.4
151.36539	0.3
157.10130	0.3
159.11755	0.6
163.11200	0.3
171.11731	0.3
185.04248	0.6
203.05273	0.4
241.06830	0.3
243.08371	3.4
296.23633	0.2
301.08984	0.6
313.08981	0.3
315.10651	0.4
333.20358	3.3
389.23154	1.0
439.19159	1.3
453.20901	1.5
469.20419	0.4
551.28253	11.0
623.30133	0.6
763.42560	0.8
861.49579	100.0
862.49969	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	861.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	4.3
65.03966	0.5
67.05498	4.9
69.03429	2.8
69.07062	2.8
70.85091	0.9
71.01349	0.4
71.05006	0.7
72.37533	0.2
73.02923	2.5
79.05490	4.3
81.03413	1.9
81.07057	5.9
83.04979	0.9
83.08628	0.8
85.02901	3.8
87.04445	0.4
91.03943	1.9
91.05479	3.7
93.07039	3.8
95.04979	1.2
95.08598	2.2
97.02892	3.4
97.06545	0.4
97.10194	0.7
99.04454	0.9
101.02375	1.7
105.07030	2.3
107.04957	0.6
107.08575	1.8
109.02850	0.3
109.06508	0.6
109.10165	1.0
111.08052	0.4
115.03934	0.6
117.07047	0.9
119.08558	1.8
121.10167	1.1
123.08052	0.4
127.03958	0.7
131.08595	1.1
133.10153	1.2
135.11713	1.2
145.10130	0.8
147.11656	0.5
149.09683	0.5
149.13252	0.5
159.11705	0.4
162.21460	0.3
163.11186	0.3
173.13393	0.4
185.04269	0.7
196.37048	0.3
243.08429	2.8
271.14001	0.4
311.07904	0.3
313.08829	0.3
333.20358	3.6
371.17059	0.3
389.23080	0.9
439.19406	1.7
453.20786	2.4
469.20627	0.7
551.19647	0.6
551.28235	11.1
745.86371	0.4
749.41907	0.4
763.42236	0.9
861.49561	100.0
862.49963	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	861.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.87697	0.5
61.02934	0.8
67.05501	1.3
67.51154	0.5
69.03418	0.7
72.08181	1.2
73.02934	0.6
79.05524	0.7
81.07058	1.5
85.02889	1.1
91.05472	1.2
93.07040	1.0
95.08625	0.7
97.02882	0.9
98.21512	2.1
101.16089	0.6
107.08612	0.7
117.45393	0.5
189.70441	0.6
229.90781	0.6
243.08453	0.6
243.87054	0.6
269.10544	0.7
299.51300	0.6
333.17157	1.1
349.16885	0.7
415.94077	0.6
465.21573	0.9
500.57251	0.7
551.27069	1.9
567.24841	1.0
569.26245	0.7
726.86584	0.6
775.42462	5.3
843.49286	0.7
861.47662	100.0
862.47931	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	859.48
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	3.7
62.71656	0.4
65.03952	0.5
67.05498	6.9
69.03422	3.7
69.07066	3.4
69.36295	3.2
69.36720	1.7
71.01325	0.8
71.04975	0.9
72.08175	0.7
73.02923	3.0
79.05486	4.7
81.03410	2.3
81.07050	7.8
82.04588	0.5
83.04996	1.7
83.08624	1.5
85.02905	5.1
85.06523	0.6
91.03951	2.7
91.05484	4.4
93.07047	4.4
95.05025	1.1
95.08605	3.2
97.02881	4.4
97.06529	1.1
97.10172	0.6
99.04458	0.9
101.02385	1.3
105.07024	4.6
107.04957	1.2
107.08574	3.2
109.02900	1.0
109.06523	1.0
109.10159	2.0
111.08099	0.6
117.07054	0.7
119.08595	2.1
119.44846	0.5
121.06480	0.5
121.10143	1.3
123.11684	0.7
125.09650	0.5
127.03892	1.0
131.08536	1.1
133.10110	2.8
135.08066	0.8
135.11668	1.2
137.09685	0.5
145.10168	1.0
147.11726	1.2
149.09708	0.6
150.72861	0.5
151.11157	0.6
159.11664	0.9
161.13316	0.6
185.04218	0.9
243.08412	4.2
250.51025	0.6
259.07993	0.5
301.09094	0.6
331.18863	1.9
333.20361	2.0
339.19348	0.5
387.21384	0.5
439.19473	1.0
453.21021	1.0
549.26648	5.4
551.28265	8.3
560.86450	0.5
573.05621	0.5
761.41003	0.9
823.45874	0.6
841.46680	3.9
859.48004	100.0
860.48145	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	859.4807
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02920	4.2
65.03916	0.4
67.05501	4.9
69.03425	3.3
69.07069	2.3
71.01351	0.5
71.05004	0.7
72.08155	0.4
73.02914	3.2
74.52753	0.4
79.05488	4.2
81.03422	2.1
81.07056	5.9
83.04977	0.7
83.08609	0.9
85.02903	4.4
91.03946	2.6
91.05472	5.1
93.07035	3.8
95.04958	1.9
95.08604	3.4
97.02901	3.8
97.06519	1.0
98.20750	0.6
99.04480	0.6
101.02382	1.6
103.03908	0.4
105.04513	0.3
105.07027	3.0
107.04957	1.0
107.08558	2.1
107.80368	0.4
109.02900	0.9
109.06538	1.4
109.10169	1.5
116.19603	0.3
117.07027	1.1
119.08596	1.8
121.06521	0.6
123.08144	0.4
123.11734	0.4
127.03932	0.9
128.06226	0.5
131.08600	0.8
133.06511	0.4
133.10156	2.4
135.11719	0.9
143.08644	0.4
145.10126	0.9
147.11696	1.4
149.09592	0.4
149.13261	0.4
150.44481	0.4
151.11221	0.9
153.89864	0.4
159.11771	0.4
161.09637	0.5
169.10004	0.4
175.11183	0.8
185.04295	0.9
193.12187	1.0
203.05266	0.5
241.06949	0.4
243.08354	2.9
246.10439	0.3
273.18323	0.5
301.09027	0.5
303.19513	0.3
313.09042	0.5
313.17627	0.6
315.10443	0.7
331.18790	2.0
333.20313	1.7
355.12985	0.4
389.23035	0.6
429.67694	0.4
437.18350	0.4
439.19287	0.7
451.19470	1.5
453.20676	0.8
489.40112	0.4
531.25311	1.8
549.26630	3.2
551.28241	9.4
623.30463	1.1
761.40558	2.9
790.40631	0.9
841.47064	9.7
842.47241	0.7
859.47998	100.0
860.48541	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4803
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02922	3.5
64.51245	0.3
65.03919	0.4
67.05161	0.5
67.05499	5.5
68.54774	0.3
69.03423	3.5
69.07056	4.0
69.33607	2.8
71.01330	0.5
71.04981	0.6
72.08154	0.3
73.02908	2.6
78.29229	0.3
79.05489	4.8
79.05949	0.3
81.03404	2.4
81.07054	6.3
83.04977	1.1
83.08632	1.5
85.02900	3.2
85.06529	0.4
91.03944	2.0
91.05476	3.5
93.07038	3.6
95.04967	1.4
95.08606	2.4
97.02892	3.7
97.06519	0.7
97.10166	1.6
98.20715	0.4
99.04469	0.6
99.08115	0.3
101.02350	1.4
105.07025	2.7
107.04960	0.8
107.08584	2.3
109.02860	0.6
109.06545	0.8
109.10140	1.3
111.08077	0.6
117.07036	1.0
119.08569	2.0
121.06468	0.5
121.10143	1.0
123.08073	0.6
124.11646	0.2
125.09628	1.4
127.03879	0.6
129.07030	0.5
129.53806	0.3
131.08549	1.4
133.10106	1.5
135.08058	0.6
135.11687	1.0
137.09660	0.4
143.08546	0.3
145.10139	1.0
145.49686	0.3
147.08118	0.3
147.11702	0.7
149.09631	0.6
149.13254	0.4
151.11192	0.4
157.10159	0.5
159.11757	0.5
161.09663	0.3
161.13327	0.4
163.11159	0.3
175.11418	0.4
177.12822	0.4
185.04231	0.8
189.11223	0.3
193.12300	0.3
203.05305	0.4
223.13179	1.6
243.08389	3.5
269.17432	0.5
275.20190	0.3
291.19409	1.3
301.08987	0.8
313.09259	0.3
320.78000	0.3
331.18771	1.5
333.20239	1.8
334.44153	0.3
349.23880	0.3
368.25064	0.3
369.15384	0.4
387.21411	0.4
389.23120	0.6
437.95993	0.3
439.19513	1.2
450.29062	0.3
451.19586	0.3
453.20978	0.8
469.20132	0.5
549.26642	5.5
551.28223	7.9
568.67975	0.3
623.30444	0.5
638.12469	0.3
668.90198	0.3
697.42981	0.5
761.41089	0.6
841.45941	0.4
859.48010	100.0
860.48389	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	859.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01118	0.2
61.02926	3.2
65.03944	0.3
67.05164	0.4
67.05506	4.6
69.03429	2.7
69.07066	3.4
69.40921	2.2
71.01353	0.6
71.04998	0.7
72.08150	0.6
73.02919	3.1
76.02267	0.2
79.05495	4.6
81.03407	2.2
81.07056	6.0
83.04986	0.8
83.08623	1.9
85.02905	3.6
91.03957	2.1
91.05488	3.8
92.05811	0.2
93.07036	3.6
95.04993	1.7
95.08606	2.2
96.17908	0.2
97.02892	3.6
97.06547	0.6
97.10178	1.3
99.04482	0.7
99.08105	0.3
101.02394	1.3
105.07031	2.9
107.04977	0.6
107.08604	2.5
109.02856	0.7
109.06548	0.6
109.10140	1.9
111.08112	0.3
115.03973	0.2
117.07050	0.8
119.08566	1.6
121.06530	0.4
121.10167	1.0
123.08131	0.3
125.09669	0.8
127.03947	1.0
128.06206	0.2
129.07025	0.6
131.08627	1.1
133.10144	1.5
135.08055	0.3
135.11722	0.9
137.09645	0.4
143.08615	0.4
145.04988	0.3
145.10162	1.0
147.11746	0.5
149.13321	0.4
151.11206	0.4
159.11705	0.5
161.09607	0.2
162.47563	0.2
163.11107	0.4
185.04300	0.5
189.11310	0.5
195.13783	0.3
203.05247	0.6
223.13240	1.1
227.20114	0.5
228.20352	0.4
243.08435	4.5
269.17557	0.3
282.97989	0.3
291.19632	1.3
301.09045	0.4
301.17657	0.3
313.09451	0.3
331.18851	1.2
333.20428	1.0
335.26004	0.2
387.21445	0.3
389.23203	0.6
439.19571	0.8
453.21210	1.2
463.29874	0.3
469.20544	0.5
481.20856	0.2
517.38867	0.4
549.26746	5.6
551.28253	5.9
623.30396	0.3
761.40942	0.4
792.61713	0.4
841.47601	0.3
859.48077	100.0
860.48383	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	859.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	7.3
65.14720	0.6
67.05500	5.9
69.03427	4.3
69.07072	1.7
71.00094	0.9
71.00426	0.8
71.01360	1.0
71.04973	3.1
73.02909	5.8
79.05486	3.2
81.03420	2.6
81.07052	7.9
83.04975	0.8
83.08607	1.3
85.02898	8.4
85.06553	0.7
91.03944	4.8
91.05479	3.0
93.07034	5.3
95.04971	0.6
95.08611	1.2
97.02885	7.1
99.04457	1.3
101.02397	2.7
103.03959	1.1
105.07037	1.7
107.08595	2.6
109.02891	1.6
115.03983	0.8
117.07024	1.2
121.10140	1.4
123.11722	0.9
127.03917	3.8
131.08594	1.2
133.10141	2.1
135.11714	1.3
145.05075	0.7
149.13243	3.1
151.11215	0.7
159.11748	1.6
161.06084	0.6
161.20659	0.6
183.13692	0.6
185.04253	1.3
187.13429	0.9
195.13821	0.9
203.05339	1.5
225.14841	0.8
243.08380	3.6
267.06659	0.7
267.15839	1.7
269.17569	0.8
285.07849	0.7
323.18439	0.7
325.79071	0.6
347.09409	3.4
365.10803	1.5
383.07748	0.7
405.13647	6.8
442.94037	0.6
453.20886	10.2
454.21512	0.7
484.50656	0.6
485.23532	9.7
486.24017	0.9
615.25940	7.9
616.26703	0.7
647.29108	6.0
697.37860	2.8
787.37598	1.9
790.11597	0.7
859.42896	100.0
860.42926	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	859.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.7
65.03916	0.5
67.05520	2.3
69.03436	3.7
69.07059	0.9
70.75437	0.7
71.01369	0.5
71.04995	0.8
73.02924	4.6
75.73423	0.3
79.05500	2.0
81.03415	6.4
81.07047	2.5
83.04977	1.1
83.08627	1.6
85.02903	8.1
87.04480	0.7
91.03954	4.2
91.05480	3.2
93.07055	1.5
95.04960	2.2
95.08611	0.5
97.02895	7.5
97.06555	0.4
99.04472	0.9
101.02404	2.1
105.07012	2.3
107.04967	1.0
107.08633	0.6
109.02899	1.2
109.06532	0.7
111.08098	0.8
113.06004	0.6
119.04937	0.5
119.08560	2.1
119.09357	0.4
120.33435	0.3
121.10179	1.2
127.03909	1.8
129.07025	0.9
131.08595	1.1
133.06479	0.5
133.10152	1.4
147.04431	0.7
147.11719	1.7
157.10155	1.2
165.12747	0.4
175.11252	1.0
185.04312	0.7
193.12257	2.7
203.05396	1.0
211.13321	1.8
243.08577	1.7
251.12611	2.1
269.12326	0.8
271.08527	0.5
285.10144	1.0
285.17029	0.8
289.09372	0.8
307.15320	1.4
334.15140	0.4
347.09335	2.2
363.08914	0.4
365.10355	0.7
382.24924	0.4
403.12201	0.4
405.13684	5.4
420.39740	0.4
440.68234	0.7
469.20401	15.2
535.28790	0.5
537.12549	0.4
552.83838	0.4
631.25757	11.8
697.34326	2.4
859.39270	100.0
860.39972	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	857.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02948	3.0
67.05496	5.5
69.03439	2.9
69.07064	3.6
70.24729	0.6
71.86317	0.6
73.02914	2.7
79.05502	4.6
81.03432	2.0
81.07059	6.0
83.04991	1.3
83.08617	1.3
85.02902	3.5
91.03961	1.5
91.05472	4.6
93.07024	4.3
95.04996	1.0
95.08614	2.1
97.02898	3.5
97.06537	0.9
97.10182	1.5
99.04478	0.8
101.02398	1.4
105.07021	3.1
107.04956	1.1
107.08620	2.8
109.06509	1.0
109.10188	2.1
117.07048	1.2
119.08578	1.4
123.04411	0.7
125.09654	1.3
127.03942	1.1
129.07065	0.8
130.15657	0.5
131.08575	1.2
133.10130	3.3
135.11659	1.1
137.09700	0.7
145.10165	1.1
159.11659	1.3
201.03889	0.6
223.13396	1.2
229.89848	0.7
243.08464	4.5
272.20020	0.9
274.66199	0.7
291.19617	2.0
301.17770	0.7
331.18945	2.2
360.29016	1.1
387.21701	0.8
462.24933	0.7
549.26813	9.6
783.39966	0.8
857.46490	100.0
858.46594	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	857.465
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02922	2.3
65.03913	0.3
67.05502	5.4
69.03429	3.9
69.06714	0.5
69.07062	4.9
71.04985	0.4
71.08632	0.5
73.02914	3.0
79.05489	4.4
81.03417	2.8
81.07053	5.2
82.07389	0.8
83.04991	0.9
83.08599	1.9
85.02902	3.7
91.03941	1.9
91.05468	3.4
93.07031	3.2
95.04964	1.5
95.08591	2.4
95.09076	0.3
95.93143	0.3
97.02887	3.8
97.06529	0.5
97.10168	2.2
98.20782	0.7
99.04470	0.6
99.08115	0.3
101.02387	1.2
105.07025	2.2
107.04957	0.8
107.08596	3.0
109.02921	0.4
109.06569	0.6
109.10156	1.9
111.08089	0.3
117.07021	1.6
119.08572	2.1
120.08927	0.4
121.06511	0.3
121.10168	1.1
123.08070	0.8
125.09615	2.2
127.03971	0.8
129.07005	0.5
131.08577	1.5
133.06465	0.3
133.10130	1.9
134.10451	0.4
135.08041	0.8
135.11723	0.5
137.09610	0.5
141.06985	0.4
143.08537	0.7
145.10132	0.7
147.08057	0.8
147.11716	0.9
149.09613	0.5
149.13275	0.6
151.11237	0.3
153.09157	0.4
157.10178	0.5
159.11719	0.5
189.11304	0.6
203.05391	0.4
223.13261	2.7
243.08400	3.9
253.14481	0.3
254.14609	0.3
269.17484	0.4
270.17758	0.5
275.19968	0.4
278.54929	0.4
291.19501	3.5
292.19931	0.5
301.08975	0.8
301.17749	0.4
313.08920	0.4
331.18771	2.4
349.23785	0.4
366.23624	0.5
369.15463	0.5
385.18680	0.4
387.21307	1.4
417.52719	0.3
429.22519	0.4
493.44672	0.3
549.26642	12.2
550.27209	0.6
560.36511	0.7
621.29224	0.5
857.46484	100.0
858.46704	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	857.4651
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02930	3.4
65.03929	0.4
65.89487	0.5
67.05510	5.3
69.03432	3.5
69.07071	3.9
70.65870	1.0
70.66235	1.0
71.04990	0.6
73.02908	2.8
79.05489	4.5
79.78674	0.5
81.03422	1.9
81.07063	4.1
81.28989	0.5
83.04987	0.9
83.08623	1.1
85.02897	2.9
86.00495	0.4
91.03948	2.6
91.05470	3.9
93.07046	4.2
95.04971	2.1
95.08591	3.2
97.02882	3.8
97.06516	0.8
97.10183	1.3
99.04446	0.9
101.02382	1.4
105.07001	2.6
105.25765	0.5
107.04987	1.0
107.08607	2.7
109.06532	1.6
109.10163	2.5
117.06996	1.4
119.08580	1.7
121.10102	0.8
123.08081	0.7
125.09611	1.0
127.03905	0.7
128.61804	0.5
129.06995	0.7
131.08553	1.2
133.06525	0.6
133.10152	2.4
135.08031	1.2
145.06555	0.5
145.10110	0.7
147.11703	0.6
151.11179	0.6
161.09587	0.9
161.66161	0.5
168.90160	0.5
185.04276	0.9
193.12245	0.9
223.13370	1.6
243.08385	3.7
291.19650	1.6
301.09198	1.2
312.41431	0.6
313.17880	0.8
319.32401	0.6
331.18881	2.8
369.15363	0.6
372.89270	0.5
387.21536	1.0
441.27136	0.5
451.19305	0.8
531.26050	1.6
549.26660	15.2
621.28717	1.8
719.31952	0.6
759.39178	3.6
839.45386	11.8
857.46503	100.0
858.47119	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	856.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
60.49138	1.4
61.02914	3.5
64.53593	1.2
65.03938	3.4
66.00491	1.3
67.05498	64.3
69.03419	10.5
69.06720	2.6
69.07063	35.8
71.04978	7.5
72.66403	1.4
73.02872	2.0
79.05486	78.1
81.03407	12.0
81.07048	69.7
83.04976	12.2
83.08608	28.1
85.02882	5.5
85.06530	3.5
91.03934	1.6
91.05471	53.7
93.07036	51.3
95.04966	14.6
95.08594	34.9
97.02896	7.0
97.06533	16.7
97.10160	40.4
99.04472	2.3
99.08074	2.0
100.75417	1.4
101.06031	1.4
103.05439	1.5
105.04498	2.1
105.07023	54.1
107.04953	12.4
107.08582	67.9
109.02840	4.6
109.06506	9.3
109.10144	19.8
111.08064	6.1
113.05952	2.3
113.09633	2.1
117.07000	19.0
119.08569	31.3
121.06501	4.8
121.10129	18.0
123.08049	5.0
123.11675	6.3
125.09624	39.4
127.03883	5.3
128.06190	3.0
129.07002	8.1
130.07768	2.2
131.08554	23.4
133.06448	1.5
133.10117	31.8
135.08044	12.4
135.11693	14.6
137.09596	4.2
140.85455	1.3
141.07025	1.9
143.08536	10.8
145.10114	27.8
147.07994	2.0
147.11670	18.1
149.09605	16.9
149.13226	9.3
151.11177	3.2
153.09105	3.7
155.08539	4.3
157.10063	8.0
159.08032	3.0
159.11674	17.0
161.09586	3.3
161.13257	6.7
163.11169	11.1
165.12746	1.9
167.08542	2.0
169.10118	4.8
171.10210	3.2
171.11662	8.8
173.09686	1.9
173.13239	10.5
175.11162	2.0
175.14769	3.2
177.12753	4.9
179.14294	3.9
181.10065	2.2
181.12317	1.5
183.11691	6.0
185.13251	5.2
187.11215	2.3
187.14844	2.0
189.11201	26.3
189.12688	1.6
191.14211	1.9
192.52254	1.6
193.10106	1.6
195.12036	1.6
195.13799	4.7
197.13211	3.3
199.14792	3.2
201.16527	1.9
213.11066	1.7
213.16428	3.1
215.14297	1.9
215.17862	1.5
223.14787	2.1
227.12755	75.9
229.14240	2.6
229.19438	6.2
229.80531	1.8
239.17999	7.1
245.13802	8.9
247.20540	3.0
253.17776	2.1
255.15677	7.6
257.19000	20.8
259.20609	1.5
267.15881	3.7
269.10614	1.8
269.17386	26.5
273.18497	2.7
275.20029	100.0
291.19540	5.4
292.19946	1.9
293.21063	6.3
313.21606	2.7
315.14288	1.6
331.22595	7.5
347.16037	2.6
349.23703	92.2
365.23206	1.6
367.24756	6.0
381.27655	1.9
389.17880	3.8
397.22311	6.6
421.25833	2.4
425.25272	3.6
433.30505	2.2
439.26981	7.0
445.29514	2.7
449.29105	4.1
451.31854	1.7
463.30588	4.3
469.33499	2.5
501.31931	2.1
503.33319	4.5
511.34201	2.9
519.33173	20.5
525.35669	7.6
527.37256	3.7
529.35321	20.8
531.38025	1.9
541.34894	2.0
543.36768	59.2
544.36957	1.5
559.36053	2.5
560.36566	2.0
561.37067	6.4
583.31000	2.3
583.40405	1.8
605.41425	4.1
623.42920	48.7
641.44055	17.9
663.36652	3.8
687.41077	2.7
856.44409	5.2
857.45544	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	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.8
65.03931	4.8
67.05498	83.2
68.50067	1.1
69.03427	10.2
69.07060	36.5
70.84983	4.6
71.04978	6.0
73.02921	2.5
79.05485	77.0
80.06337	1.3
81.03410	15.1
81.07048	100.0
83.04980	15.2
83.08619	18.3
85.02882	5.4
85.06543	4.8
91.05470	62.7
93.07033	72.5
95.04956	22.3
95.08598	43.3
97.02901	6.4
97.06523	19.1
97.10144	10.9
99.04456	2.0
99.08088	3.4
103.05450	2.5
105.04539	2.1
105.07019	48.5
107.04949	12.7
107.07857	2.7
107.08586	46.1
109.02843	2.2
109.06503	11.4
109.10155	18.3
111.08059	7.4
113.09626	2.4
115.05482	3.8
117.07011	26.2
119.08562	35.6
121.06458	6.7
121.10145	19.9
123.04440	2.2
123.08071	5.5
123.11653	6.1
125.09615	7.5
127.03925	4.1
128.06233	2.2
129.05482	1.9
129.06975	9.7
131.08556	26.5
133.06474	3.0
133.10118	27.5
135.08043	9.0
135.11668	17.8
137.09601	5.3
137.13243	2.1
139.11174	3.0
141.06975	3.3
141.09142	1.3
142.07710	2.9
143.08562	6.9
144.09283	1.8
145.06462	3.3
145.10101	26.2
147.08031	2.7
147.11674	16.5
149.09596	16.9
149.13242	14.0
151.11157	3.9
155.08565	5.4
157.06491	1.8
157.10133	7.4
159.08014	1.6
159.11693	20.7
161.09622	1.7
161.13231	6.5
163.11174	12.8
163.14830	1.8
165.12801	1.9
167.08562	2.1
169.10147	5.4
171.10301	1.4
171.11626	8.0
173.04477	3.6
173.13229	9.7
175.11198	2.0
175.14769	1.3
177.12674	7.1
179.14284	4.2
181.10101	4.0
181.12277	1.9
183.11700	5.5
185.13254	3.4
187.11182	2.9
187.14804	2.5
189.11205	3.2
189.12787	1.8
195.11821	2.0
195.13795	7.1
197.13235	4.1
199.14893	1.5
201.12546	1.6
209.13258	2.0
211.14850	2.5
213.14719	1.8
213.16518	1.7
215.14336	1.5
219.13838	1.3
227.12726	10.3
229.19411	2.1
239.17993	4.9
247.20557	2.9
255.15910	15.6
257.19034	12.2
267.15817	3.1
269.17435	36.8
273.18521	1.9
275.20029	45.0
293.21069	3.9
331.22684	3.0
349.23703	38.7
350.24045	1.7
357.24075	1.2
367.24814	5.5
433.30429	2.7
435.27161	2.4
439.26871	1.9
444.76825	1.5
449.28915	21.0
451.32562	1.8
463.30658	21.3
494.31216	1.4
515.37115	1.8
525.35724	3.7
529.35382	8.6
543.36743	32.4
561.37683	6.2
623.42865	5.5
641.44092	3.7
857.45520	4.1
872.50940	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.541
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.5
65.03931	4.5
67.05504	75.6
69.03112	1.2
69.03433	11.5
69.07067	40.6
69.33177	9.4
70.08105	1.0
71.01353	1.6
71.04993	6.7
73.02900	2.2
76.23389	1.1
77.03940	1.0
79.05492	67.1
81.03419	14.1
81.07056	100.0
83.04980	15.4
83.08618	21.8
85.02894	5.7
85.03368	1.0
85.06550	6.0
91.05478	61.3
93.07043	74.1
95.04968	25.5
95.08607	45.7
97.02857	5.1
97.06530	20.2
97.10169	10.5
99.04456	1.7
99.08085	3.9
102.94761	1.2
103.03935	1.5
103.05450	2.4
105.04509	2.0
105.07028	49.3
107.04953	12.5
107.08594	43.0
109.02848	2.4
109.06523	10.7
109.10162	15.6
111.04459	3.0
111.08068	6.8
113.06061	1.2
113.09641	1.5
115.05417	1.4
116.06245	1.2
117.07019	22.4
119.08580	35.7
121.06509	7.7
121.10146	23.8
123.08058	7.1
123.11694	6.2
125.09615	7.2
127.03934	2.9
128.06241	1.8
129.07025	8.0
131.05011	1.3
131.08568	26.8
133.06488	3.7
133.10126	29.9
135.08052	7.1
135.11703	18.7
137.09608	4.8
139.11182	2.7
141.06961	3.4
142.07819	1.4
143.08580	8.3
144.09395	1.4
145.06500	1.7
145.10121	20.7
147.08034	2.9
147.11678	16.9
149.09618	18.4
149.13237	15.1
151.11179	4.9
153.09096	1.1
153.12790	1.3
155.08568	5.2
157.10120	6.9
159.08040	1.3
159.11684	18.3
161.09622	3.3
161.13231	5.9
163.11169	13.6
165.12724	4.1
167.08543	1.8
168.09418	1.3
169.10098	4.0
171.10341	1.4
171.11646	5.1
173.04434	2.4
173.09579	1.2
173.11844	1.8
173.13214	7.8
175.11163	3.8
175.14873	1.4
177.12703	5.1
179.14330	3.5
181.10143	1.9
181.12274	2.7
182.11049	1.2
183.11711	6.4
185.13240	4.1
187.11180	2.2
187.14873	1.6
189.11217	4.0
191.10542	1.3
191.14238	1.8
195.12059	1.7
195.13760	9.7
197.11607	1.1
197.13287	3.8
201.12743	2.2
201.16432	1.2
205.01164	1.0
205.10199	1.1
205.12247	2.1
207.13828	1.3
209.13190	1.3
211.14821	1.6
213.14827	1.2
213.16623	1.1
215.17940	2.0
215.64557	1.0
219.13881	1.1
219.17453	1.3
223.13205	5.3
225.12666	1.0
227.12773	9.7
229.14296	2.1
229.19482	3.3
233.15248	1.4
235.16890	1.2
239.18015	4.7
245.13768	1.7
245.40305	1.0
246.53206	1.2
247.20576	3.8
253.14288	2.0
255.15854	10.9
257.18994	13.6
267.15875	3.1
269.17468	40.7
273.18527	1.5
274.98297	1.1
275.20065	59.2
276.20343	1.5
281.52618	1.1
292.19919	1.8
293.21063	8.9
321.16959	1.1
321.24200	1.6
331.22696	3.8
349.23737	45.3
350.24084	2.0
357.24268	1.1
367.24786	22.2
371.16989	1.2
431.27963	1.3
433.31009	1.4
435.27344	2.4
447.30835	1.5
449.28955	20.3
451.31485	1.2
463.30594	24.4
469.33249	1.4
503.33475	1.6
519.32947	1.5
525.35529	5.0
529.35181	6.0
543.36841	32.9
544.37415	1.9
561.37671	4.7
607.34631	2.1
623.42688	7.8
641.43958	11.6
659.45148	7.9
797.51953	1.3
803.44312	1.2
857.45831	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	856.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	5.6
65.03927	5.4
67.05500	94.6
68.05830	5.2
69.03429	10.2
69.07065	47.0
70.07403	3.0
71.04987	8.5
72.08125	2.3
73.02901	2.7
79.05488	77.5
80.05825	3.4
81.03409	14.8
81.07052	100.0
82.03720	2.1
82.07397	4.3
83.04971	14.2
83.08614	20.1
85.02888	8.3
85.06547	6.0
91.03926	2.1
91.05475	83.7
92.05809	3.4
93.07040	71.9
94.07379	2.1
95.04958	18.9
95.08604	50.8
97.02894	4.8
97.06530	21.1
97.10169	10.3
99.04439	3.5
99.08083	5.0
103.05481	2.5
105.07024	73.2
106.07345	6.6
107.04964	12.2
107.08580	48.4
108.08914	3.1
109.06519	9.4
109.10153	34.3
110.10477	4.3
111.04411	2.7
111.08068	7.1
113.09621	2.2
115.05436	2.4
117.07009	31.7
118.10905	2.3
119.08569	45.5
120.08939	3.1
121.06501	8.3
121.10139	26.6
123.08052	6.5
123.11732	8.2
125.09622	7.9
127.03888	4.9
128.06201	3.7
129.05493	3.5
129.06981	13.7
130.07680	1.5
131.08565	34.4
133.06480	3.1
133.10115	47.5
134.10469	5.8
135.08043	7.4
135.11685	21.5
137.09601	7.2
139.11205	2.2
141.06996	4.7
142.07813	3.1
143.08553	16.3
145.04898	2.3
145.10123	29.8
147.08095	3.9
147.11684	23.4
149.09605	13.9
149.13258	13.1
151.11177	7.9
152.11501	2.7
155.08562	8.4
155.10667	1.8
157.10139	18.2
159.08040	3.3
159.11678	24.5
161.09625	3.7
161.13237	13.8
161.69739	1.8
163.11159	13.7
164.11571	1.8
165.09125	2.4
165.12787	3.0
167.29987	1.7
169.10152	11.3
169.12277	2.5
171.11678	15.1
173.04457	2.5
173.09586	2.8
173.11746	4.2
173.13251	13.8
175.11137	2.7
175.14822	5.6
177.12778	4.3
177.73204	1.7
179.14276	6.1
181.10114	4.4
183.11664	8.5
185.13200	8.1
187.11203	3.0
187.14832	4.8
189.11247	2.7
189.12769	2.5
193.10118	2.0
193.12267	2.3
195.11726	3.8
195.13753	4.5
197.13249	4.9
199.14859	4.8
203.17912	2.2
209.13287	4.1
211.14865	4.1
215.18095	2.2
221.13181	2.3
227.12805	6.8
229.14337	6.0
237.16389	2.4
239.17844	4.1
241.19490	6.4
253.14316	19.7
254.14697	11.7
255.15714	6.8
257.18954	7.1
258.19379	2.0
259.20477	14.2
259.41730	1.9
269.17322	14.2
273.18399	4.7
274.18912	2.0
275.20074	29.9
276.20291	4.2
291.19379	8.7
292.19968	3.6
293.21063	14.5
315.23236	3.3
318.36102	2.0
331.22638	2.5
333.24188	15.2
339.22900	1.8
349.23639	18.6
350.24097	4.8
365.23422	3.5
366.23492	3.7
367.24551	6.8
375.25342	1.9
421.30750	1.9
435.32819	3.4
439.32135	2.2
449.29004	2.2
451.31897	2.2
453.34030	1.8
463.30621	3.6
467.28955	2.1
503.33731	2.3
509.36038	1.9
513.35803	18.3
515.37439	2.3
527.37317	8.1
543.36761	4.7
546.35669	2.3
547.35645	3.5
559.35956	2.3
560.36450	4.8
561.37445	6.4
607.43640	11.3
625.44318	11.1
640.41797	2.1
641.43237	7.4
659.44354	3.5
764.57397	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	855.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.6
67.05502	9.2
68.05845	1.2
69.03423	4.9
69.07058	1.8
71.01344	0.9
71.04992	1.5
73.02906	5.2
79.05486	9.3
81.03425	6.6
81.07056	9.8
82.07395	0.8
83.04997	2.7
83.08625	2.3
85.02897	10.7
87.04447	0.5
91.03955	6.2
91.05476	7.2
92.34582	0.5
93.07040	8.3
94.07386	0.6
97.02889	8.1
97.06540	1.1
97.10174	0.8
98.21495	1.3
99.04447	1.5
101.02387	2.4
105.07040	4.4
107.04983	1.6
107.08589	3.7
108.08916	0.6
109.02898	1.6
109.06525	1.4
109.10170	1.5
111.04475	0.7
111.08085	1.1
111.10319	0.5
114.86828	0.6
115.03967	0.6
117.07051	1.3
119.08570	2.8
121.06491	0.9
121.10143	3.0
123.08099	0.8
123.11729	0.8
127.03944	2.3
129.07039	2.1
131.08563	2.0
133.06438	0.6
133.10132	2.2
135.08101	0.7
135.11687	1.1
136.12041	0.6
140.07962	0.5
143.08618	0.9
145.10103	0.8
147.11655	3.3
149.09625	0.8
149.13286	0.9
150.09985	0.6
157.10132	1.1
163.11227	1.0
171.11713	1.5
175.11241	1.3
185.04175	1.2
191.10684	0.6
193.12318	2.0
195.13882	0.8
199.13319	0.8
203.05450	0.7
207.13876	1.0
209.11768	0.7
211.13371	1.0
227.12914	1.0
243.08458	2.9
247.13159	0.8
251.12610	0.9
267.09219	1.7
267.16046	1.5
268.16440	0.7
269.12640	2.6
269.17484	3.1
270.17877	1.1
281.17538	1.1
282.18210	0.7
285.10098	3.1
285.17038	0.7
299.11661	0.6
301.16605	1.1
303.15750	1.2
322.11615	1.0
324.11655	1.3
331.12280	0.7
347.09280	3.3
355.16254	0.6
365.10641	1.4
405.13605	6.6
412.27805	0.8
413.69586	0.7
423.27359	1.3
424.27835	1.6
430.18524	0.7
436.18515	2.9
436.68790	2.9
437.19180	1.1
438.68246	0.8
465.20953	9.8
469.20438	5.3
477.28754	1.6
478.28961	3.4
495.29422	1.4
496.29910	3.3
622.32867	0.9
627.26233	7.1
631.25623	3.5
639.32916	0.8
640.33960	1.3
693.34296	2.8
855.39789	100.0
856.40137	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	855.3967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	10.7
65.03941	1.6
67.05500	18.0
68.05827	2.2
69.03428	5.3
69.07055	6.2
71.04993	2.5
73.02902	6.6
79.05489	13.0
80.05808	1.5
81.03412	8.8
81.07051	17.4
82.07387	1.8
83.04977	4.0
83.08625	6.0
85.02901	14.4
85.06551	1.3
87.04514	1.4
91.03945	6.7
91.05475	10.2
92.05849	1.5
93.07037	14.2
94.07398	1.8
95.08609	5.3
97.02881	10.9
97.06546	3.8
97.10179	2.5
99.04452	2.4
101.02388	3.2
105.07016	8.0
107.08591	4.9
108.08904	1.8
109.02912	2.3
109.06519	1.6
109.10162	5.0
111.08059	1.9
115.03970	1.1
117.07038	3.1
119.08595	4.4
121.06541	1.5
121.10066	2.5
123.04456	1.5
123.11641	1.4
125.09619	1.5
127.03915	3.5
129.05524	1.9
129.07031	3.5
130.04794	1.3
131.08583	2.7
133.10167	5.8
135.11687	2.6
138.63112	1.3
145.04988	1.7
145.10124	3.0
147.11710	3.5
149.09668	1.3
149.13280	1.8
157.10161	1.7
159.11713	2.3
163.11154	3.1
171.11664	2.0
177.12749	1.6
193.12292	3.1
195.13760	2.4
209.11766	1.6
228.26334	1.2
243.08546	2.5
247.13185	1.3
267.09094	3.2
267.16077	2.3
269.12421	3.8
269.17374	6.1
270.17914	5.1
281.17456	1.7
283.15482	2.1
285.10187	4.8
299.11566	1.1
301.16525	3.1
322.12064	1.4
335.61737	1.2
347.09732	2.3
365.10818	1.2
405.13434	6.1
411.27551	1.8
412.27603	2.2
423.27557	4.0
424.27789	5.9
429.69064	1.4
436.18646	5.1
436.68820	2.0
437.19022	1.3
463.30939	1.3
465.20917	10.0
469.20407	5.0
477.28448	4.5
478.28857	6.0
495.29617	5.1
496.30096	5.1
591.78839	1.3
610.59332	1.3
627.26355	8.0
631.26044	2.2
639.33716	1.3
640.34229	4.2
693.34454	2.2
855.39777	100.0
856.39532	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	854.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.0
65.03932	4.8
67.05499	75.1
69.03426	8.9
69.07060	30.1
71.05000	6.6
72.08085	0.9
73.02866	1.2
77.03910	1.4
79.05488	55.9
81.03417	15.4
81.07049	79.9
82.07353	1.2
83.04977	14.8
83.08604	10.6
85.02903	4.7
85.06534	4.8
91.05473	71.4
93.07036	58.3
95.04972	17.5
95.08597	29.9
95.09107	0.7
97.02881	3.6
97.06525	14.2
97.10156	3.7
97.84753	1.0
99.04424	2.2
99.08060	2.6
103.05441	3.0
105.04515	1.5
105.07022	58.9
107.04954	12.8
107.08585	44.4
109.02876	1.8
109.06503	11.4
109.10144	45.1
111.04449	1.9
111.08055	4.6
113.06034	1.5
115.05463	2.0
117.06996	16.1
119.08570	26.7
121.06489	10.9
121.10136	12.5
123.08059	6.7
123.11691	10.3
124.85289	0.9
125.09592	3.7
127.03912	2.1
127.07540	2.4
128.06221	2.0
129.05469	1.1
129.06976	6.6
131.08554	21.0
133.06474	3.4
133.10118	70.3
135.07050	1.5
135.08026	9.5
135.11690	12.9
137.05934	1.3
137.08661	1.2
137.09543	5.2
139.07555	1.5
139.11183	1.2
141.06992	2.1
142.07747	1.7
143.08536	6.6
145.06458	1.3
145.10109	12.5
147.07988	5.3
147.11682	10.5
149.09608	14.6
149.13272	6.6
151.11165	28.1
155.08528	3.0
157.10117	6.4
159.08043	2.0
159.10378	1.6
159.11673	13.2
161.09625	8.3
161.13226	4.1
163.07628	1.5
163.11165	8.0
165.09082	1.9
167.08664	0.9
167.10637	1.6
169.10077	2.9
169.12244	6.6
171.11748	4.8
173.04411	2.2
173.09596	1.8
173.13255	3.5
175.11177	3.4
175.14769	1.1
177.09119	2.9
177.12718	2.9
179.10658	3.3
179.14290	2.0
181.10045	1.9
181.12175	1.2
183.11646	2.4
185.13176	2.1
187.11070	2.6
187.14728	1.1
189.12718	3.3
193.12317	1.4
195.13800	3.2
197.13255	2.0
201.12663	1.5
201.16388	1.1
205.12202	1.2
207.13849	1.1
211.14816	1.6
213.16466	2.0
215.12726	3.9
215.17889	1.0
219.13719	1.2
223.31534	1.0
227.12704	4.3
227.17921	2.6
229.19528	1.8
239.17947	2.2
245.19005	4.4
247.20540	1.7
248.91467	1.2
249.14882	1.0
251.12798	2.2
251.16374	2.1
253.14331	100.0
254.14682	2.6
255.15518	4.6
257.18964	8.4
263.20020	2.3
267.15942	1.4
269.17422	15.5
271.15332	3.0
273.18488	24.7
275.20038	22.1
291.19519	24.4
293.21066	1.8
309.20584	2.8
329.21008	1.3
331.22607	1.1
347.22266	8.5
349.23700	16.2
357.08545	1.1
365.23245	23.4
367.24628	3.4
423.23489	1.3
447.27359	6.3
451.26959	3.3
463.26950	1.4
465.28412	8.1
509.32028	1.3
527.33545	4.2
541.35352	5.0
545.34692	17.7
559.36267	37.7
560.36700	2.1
621.41718	1.5
639.42334	12.6
640.42102	1.2
644.27795	1.1
654.60822	1.0
657.43567	5.4
703.39600	1.0
769.24402	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.4
65.03947	2.8
67.05500	54.2
69.03426	11.5
69.07065	37.6
71.04996	4.1
72.08139	1.7
73.02911	1.3
77.03926	0.6
79.05487	49.2
80.05825	0.9
81.02975	0.9
81.03415	10.2
81.07052	58.9
83.04976	9.7
83.08613	12.3
85.02902	3.1
85.06540	3.0
91.05475	38.9
93.07038	43.6
94.04184	0.8
94.74709	0.5
95.01328	1.1
95.04959	14.5
95.08597	24.1
97.02890	9.7
97.06528	9.7
97.10160	12.9
99.04450	1.2
99.08079	1.2
103.05399	1.0
105.03376	0.7
105.04469	1.0
105.07022	30.8
107.04946	9.9
107.08585	27.4
108.01093	0.5
108.05769	0.6
109.02894	1.8
109.06500	6.9
109.10146	16.3
111.04422	1.4
111.08067	5.7
113.06007	0.6
113.09625	0.8
115.05433	2.5
116.06192	0.7
117.07008	17.1
119.04948	1.7
119.08572	20.4
121.06498	6.1
121.10126	12.0
123.04414	1.2
123.08056	6.0
123.11694	3.5
123.65852	0.6
125.09620	11.3
127.03913	1.0
128.06221	1.7
129.07002	6.8
130.07777	1.0
131.08569	17.2
133.06497	4.2
133.10123	21.5
134.07253	1.5
135.08032	5.5
135.11684	11.4
137.09660	3.5
139.07487	0.9
139.11140	0.7
141.06993	1.8
142.07750	0.9
143.08549	5.6
143.89775	0.6
144.09277	0.8
145.06459	2.4
145.10117	12.8
147.08047	6.4
147.11674	8.9
149.09610	9.1
149.13257	9.4
150.58098	0.6
151.11192	5.5
153.09132	1.6
153.12755	0.7
155.08537	1.4
157.10121	5.2
159.08005	1.8
159.11687	8.6
161.09590	3.5
161.13229	2.2
163.11177	6.6
165.09116	1.8
167.08379	0.8
167.69859	0.5
169.10114	2.2
169.12198	0.9
171.08028	0.9
171.10240	1.4
171.11702	4.1
173.04491	1.4
173.09596	1.8
173.13263	2.7
175.11116	2.8
175.14847	0.8
177.12721	3.1
179.10675	0.8
179.14336	1.8
181.10091	0.7
181.12206	1.3
183.11676	1.8
185.13264	2.1
189.11163	4.3
189.12679	0.8
193.12318	1.3
195.11996	0.6
195.13776	4.3
197.13306	1.1
199.11206	0.9
199.13173	0.6
205.12215	2.1
213.14726	1.2
215.35521	0.5
217.15869	0.6
223.13268	19.5
227.12816	8.4
227.18015	1.1
229.19368	1.1
231.17464	1.0
233.15318	0.8
239.17932	1.6
245.14005	0.6
245.18970	2.4
247.20549	1.1
249.14764	3.5
251.16412	0.7
253.14366	8.9
255.15784	7.0
257.18997	5.0
263.20001	0.8
267.15869	2.1
269.17453	24.2
270.17761	0.7
271.15112	0.8
273.18478	17.9
275.20041	15.1
279.15738	0.6
291.19519	100.0
292.19894	2.2
293.17410	0.8
293.21051	1.2
297.17062	0.7
309.20624	1.2
331.22574	1.6
347.22150	3.7
349.23700	11.7
365.23224	39.2
366.23523	1.2
367.24704	2.5
413.21945	1.4
447.27420	0.8
461.28912	1.8
465.28204	0.9
479.30356	0.9
491.30417	0.8
541.34869	4.2
543.36426	0.7
545.34692	14.7
559.36285	60.3
560.36481	3.0
615.27765	0.7
621.41260	1.0
639.42548	14.1
657.43390	2.7
703.39954	1.0
854.45020	1.8
855.44910	1.5
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
60.81971	1.0
65.03938	1.5
67.05503	37.5
67.05868	1.9
69.03432	9.2
69.07068	31.9
69.07450	1.6
70.07410	0.9
70.72195	0.7
70.72614	2.9
71.04977	3.7
73.02908	1.4
73.26624	0.8
79.05491	33.3
81.03419	8.2
81.07054	43.2
83.04971	7.6
83.08141	1.0
83.08617	13.0
85.02908	2.8
85.06531	2.2
91.05479	29.3
93.07043	32.6
95.04966	11.6
95.08040	1.5
95.08601	18.1
97.02877	6.7
97.06525	9.3
97.10175	12.0
99.04454	1.2
99.08079	2.2
105.04508	1.0
105.07029	21.8
107.04391	0.9
107.04966	9.4
107.08591	23.0
109.02880	1.5
109.06561	4.6
109.10159	12.1
111.08083	3.9
115.05404	1.0
117.07009	11.4
119.04951	1.4
119.08573	18.3
121.06492	4.0
121.10133	9.2
123.08071	4.0
123.11678	2.3
125.09625	12.0
127.03940	1.8
128.06131	1.4
129.05431	1.2
129.07002	5.2
130.07668	1.0
131.08575	11.8
132.08760	0.9
133.06497	3.5
133.10121	13.4
135.08063	5.8
135.11673	7.2
137.09599	2.5
141.07010	1.2
143.08537	5.1
145.06549	1.7
145.10107	10.1
147.08029	6.0
147.11693	7.0
149.09610	7.1
149.13246	6.2
151.11183	2.4
155.08482	1.8
157.10120	4.6
159.08098	1.4
159.11722	8.5
161.09596	3.1
161.13240	3.0
162.10370	1.1
163.11165	4.9
165.09119	1.3
165.12964	1.0
169.10063	2.1
169.12271	1.7
171.08069	0.9
171.10277	1.0
171.11693	3.4
173.04453	1.4
173.09573	1.0
173.13274	2.6
175.11203	2.0
175.14671	1.0
177.12711	3.0
177.16553	0.8
179.14317	1.5
185.13219	1.7
187.11128	0.9
189.11209	5.6
189.12622	1.4
195.11998	1.0
195.13799	4.0
195.46045	1.0
197.13298	1.1
199.14830	1.0
205.12323	1.6
213.14783	1.1
223.13298	18.3
227.12729	11.1
239.17906	1.6
249.14844	2.3
253.14375	4.3
255.15677	7.2
257.18927	4.7
259.20563	1.0
264.85461	1.0
267.15817	2.9
269.17474	17.1
273.18478	15.1
275.20074	20.3
291.19528	100.0
292.19925	3.1
293.21057	0.9
309.20609	1.7
331.22681	2.0
347.21982	1.8
347.80322	0.9
349.23749	17.1
365.23212	38.9
366.23361	1.5
367.24670	1.9
461.28934	2.3
491.30194	1.2
523.34210	1.1
526.22595	1.2
541.34760	2.2
545.34631	13.4
559.36279	49.1
560.36029	4.7
621.41626	1.5
639.42505	21.9
640.42444	2.1
657.43127	2.8
880.09076	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.9
65.03923	3.4
67.05499	77.1
68.05854	1.4
69.03422	11.8
69.07063	35.5
69.36619	8.0
71.01347	1.1
71.04421	1.1
71.05016	6.2
72.08148	2.8
73.02924	1.4
79.05486	61.0
81.03409	12.3
81.07050	100.0
83.04966	12.1
83.08614	17.0
85.02892	2.8
85.06531	6.0
87.57742	1.0
91.05474	67.1
93.07035	58.8
95.04967	19.1
95.08597	35.3
97.02888	7.4
97.06519	13.8
97.10144	10.2
99.04444	2.0
99.08083	3.4
103.05476	2.9
105.04499	1.0
105.07023	56.2
107.04948	14.0
107.08585	46.9
109.02873	1.4
109.06508	17.8
109.10142	36.5
111.04430	1.9
111.08067	6.4
113.06004	1.8
113.09595	1.8
115.05463	3.9
116.06148	1.1
116.94024	1.0
117.07007	18.2
117.40741	1.0
119.04927	1.3
119.08577	31.7
121.06487	10.3
121.10126	18.1
123.04413	1.9
123.08073	9.8
123.11693	9.9
125.09624	9.4
127.03912	1.5
127.07548	2.2
128.06219	2.9
129.07001	9.4
130.07788	1.1
131.08556	23.5
133.06500	5.4
133.10121	53.4
135.08052	11.8
135.11655	11.1
137.09604	5.5
139.07538	1.4
140.70509	1.1
141.06998	2.1
143.08514	7.8
144.09348	1.2
145.06480	2.9
145.10103	20.3
147.08028	7.5
147.11679	16.7
149.09596	13.4
149.13231	8.8
151.07509	1.5
151.11179	19.7
151.31567	1.0
154.07820	1.2
155.08517	2.3
157.10156	6.6
159.08063	2.3
159.11658	12.2
161.09583	7.7
161.13258	4.5
163.11163	10.2
165.09045	1.3
165.12738	3.4
169.10103	4.1
169.12248	3.8
171.10403	0.9
171.11665	6.1
173.04427	1.2
173.09633	2.3
173.11896	1.7
173.13177	5.1
175.09898	1.0
175.11195	5.4
177.09036	1.5
177.12743	4.9
179.10602	1.7
179.14294	2.4
181.10124	1.3
183.11711	2.5
185.13243	2.6
187.11174	1.6
189.11165	2.9
189.12718	1.9
191.10649	1.2
193.12216	2.3
195.11795	1.3
195.13809	4.4
195.54277	1.1
197.13312	2.2
199.11209	1.4
201.12773	1.7
203.14255	1.1
205.12292	1.8
207.13896	1.6
215.12715	1.5
223.13206	12.0
227.12740	4.7
227.17915	1.1
228.07794	1.0
229.19516	2.9
232.40694	1.1
233.15271	1.7
239.17982	2.4
241.19464	1.2
245.18970	3.2
247.20602	2.5
249.14827	2.8
251.12740	2.4
253.14331	49.9
255.15900	3.7
257.18994	6.2
263.20056	3.4
267.15948	2.7
269.17377	10.8
271.15500	1.5
273.18457	25.3
275.16956	1.0
275.17810	0.8
275.20023	41.3
291.19513	65.6
293.21194	7.4
307.90955	0.9
309.20599	2.1
322.39420	1.1
329.21170	1.2
331.22449	2.0
347.22205	7.4
349.23694	22.8
365.23193	48.8
367.24762	18.8
383.24118	1.5
447.27509	2.0
451.27051	3.0
465.28406	6.6
519.32990	1.1
527.33624	1.3
541.35071	4.2
545.34882	8.1
559.36261	20.5
577.37207	1.4
604.21185	1.1
621.41412	1.9
639.42560	39.4
640.42468	1.2
657.43616	26.7
658.43695	1.3
854.46118	7.2
855.45752	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	6.6
65.03936	1.4
67.05500	50.5
68.05817	0.6
69.03426	2.4
69.07063	11.0
71.04989	13.4
73.02907	2.5
79.05489	21.8
81.03416	3.4
81.07051	75.2
82.07361	0.8
83.04979	4.9
83.08614	9.9
85.02895	8.7
85.06541	6.7
87.04475	0.9
91.03949	4.6
91.04887	0.6
91.05476	17.0
93.07037	32.3
94.07375	0.4
95.04974	4.4
95.08602	13.1
97.02877	3.7
97.06532	7.6
97.10154	2.8
99.04448	0.9
99.08063	2.4
103.03912	0.7
105.04498	0.6
105.07022	7.1
107.04964	1.1
107.08587	22.1
109.02856	0.8
109.06520	1.8
109.10149	10.5
109.89510	0.4
111.04451	0.5
111.08086	4.2
113.06016	0.5
113.09657	1.1
117.07008	5.4
119.08579	3.0
121.06513	1.3
121.10134	12.4
123.08040	1.1
123.11692	8.9
125.09605	2.4
127.03887	1.8
127.07564	0.6
129.05432	0.6
129.07007	0.6
131.08565	6.3
133.10123	13.6
135.08044	1.6
135.11691	6.5
139.11165	1.0
145.04939	2.2
145.10130	0.7
147.08031	0.5
147.11703	1.5
149.09601	0.9
149.13248	20.7
151.11169	5.0
153.12735	0.5
159.11671	9.2
163.06055	1.8
163.11198	0.6
165.12848	0.6
167.14331	0.5
169.12196	1.0
173.11728	1.8
177.12732	4.1
183.13867	1.2
187.13263	2.9
193.12231	0.5
195.13779	7.3
199.13316	0.6
201.14885	0.5
213.14824	1.3
225.14928	1.0
227.12988	0.5
229.14328	6.8
251.16423	0.6
257.17508	0.8
267.08841	0.5
267.15796	0.9
269.17459	18.0
301.16400	2.0
301.20108	4.8
393.26443	0.8
423.27408	5.4
437.28955	33.8
438.29190	1.2
445.29837	0.7
449.28674	0.6
451.30475	5.0
459.27713	0.5
463.30518	100.0
464.31091	2.7
495.33481	36.5
496.33490	1.3
513.30481	1.9
607.34814	1.4
639.37305	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	854.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	13.4
65.03925	3.0
65.72620	0.8
67.05498	80.0
69.03410	5.0
69.07062	14.9
71.01352	0.8
71.04985	17.6
71.22878	1.0
71.59821	1.0
71.60282	1.2
73.02905	6.1
78.09612	0.8
79.05483	30.5
81.03412	9.0
81.07048	100.0
82.07388	1.0
83.04971	8.6
83.08608	17.5
85.02418	1.4
85.02898	18.1
85.06537	7.4
87.04451	2.6
91.03950	7.6
91.05474	27.6
93.07034	41.2
95.04964	8.0
95.08591	20.3
95.09155	1.5
97.02883	12.0
97.06522	9.8
97.10154	9.5
99.04447	1.1
99.08064	1.8
105.07014	12.7
107.04955	2.6
107.08583	31.1
107.09284	2.0
109.06529	2.9
109.10142	27.4
111.04473	1.4
111.08092	5.0
117.07018	8.7
117.56436	0.9
119.08580	7.0
121.06519	2.9
121.10134	10.7
123.08009	1.5
123.11678	10.3
125.09603	5.5
127.03905	5.1
129.05467	3.2
129.07019	2.1
131.00102	0.9
131.08572	9.2
133.10114	20.1
135.08070	1.4
135.11678	12.0
137.09602	1.5
143.07106	1.0
143.08578	1.3
145.04883	5.2
145.10141	3.3
147.11690	3.4
149.01204	1.4
149.09645	1.5
149.13240	14.5
151.11171	7.5
153.12729	1.1
155.10693	1.1
159.11691	9.6
163.05998	4.0
163.11205	3.2
165.12802	1.9
167.14297	1.1
173.11745	7.8
175.11211	1.0
177.12743	4.0
183.13791	2.5
187.13289	1.9
193.12225	1.7
195.13794	12.7
199.13258	3.1
209.11743	2.6
211.13298	1.4
213.14848	2.8
225.14825	1.3
227.12845	4.0
229.14357	20.9
239.16423	1.2
257.13892	2.4
257.17224	1.2
267.15927	5.2
269.17444	42.5
270.17886	1.1
281.10870	1.2
283.15302	3.8
285.15472	1.9
295.18958	1.3
301.16473	8.4
301.20096	8.1
393.26355	1.9
411.27319	3.9
423.27365	21.5
424.27643	1.1
431.17838	1.0
431.28220	1.1
437.28958	39.5
445.29749	1.3
451.30521	5.1
463.30487	28.4
466.74362	1.2
477.28397	2.1
495.32916	61.7
513.30396	10.0
607.34650	2.7
639.36920	3.0
874.16016	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57746	1.0
61.02649	1.1
61.02927	14.6
61.80960	0.9
65.03925	3.9
67.05502	100.0
69.03424	6.5
69.07063	18.0
71.01350	2.4
71.04991	9.9
71.08624	1.0
73.02912	7.1
79.05489	43.4
81.03415	13.4
81.07053	84.9
82.91843	1.1
83.04974	11.1
83.08615	21.4
85.02903	28.5
85.06532	5.0
87.04451	3.8
91.03954	12.5
91.05475	31.7
93.06467	2.4
93.07042	43.3
95.04977	11.3
95.08599	24.3
97.02886	13.3
97.06520	8.9
97.10161	13.7
98.20673	1.9
99.04430	2.5
99.08076	2.0
103.03928	1.6
105.07023	14.7
107.04959	4.1
107.08588	31.3
107.42389	1.0
109.02879	2.5
109.06512	5.0
109.10154	44.2
111.04459	1.2
111.08060	5.4
111.91135	1.0
115.03934	1.3
117.07018	9.2
119.08563	11.4
121.06463	2.3
121.10143	14.1
123.08054	2.8
123.11681	6.2
125.09629	10.4
127.03931	5.7
129.05489	5.1
129.06987	2.7
131.08568	10.6
133.10110	16.8
135.08041	3.1
135.11691	9.7
136.34958	1.0
137.09583	3.4
143.06943	1.2
145.04939	4.1
145.10089	5.8
147.11647	4.2
149.09602	2.1
149.13252	14.6
151.11166	2.9
153.12689	2.5
155.10666	3.1
159.11685	10.4
163.06010	7.3
163.11143	8.4
165.12791	2.8
173.11752	10.9
175.11150	2.2
177.12749	5.0
181.12253	3.1
185.11784	1.6
191.10550	2.9
193.12222	5.3
195.13802	13.2
199.13254	4.7
209.11736	4.9
211.13174	2.1
213.14908	1.7
227.12758	5.5
229.14348	38.7
229.55470	1.4
239.16435	2.7
257.13837	5.5
267.15860	8.7
269.17462	55.4
283.15439	5.5
297.17050	2.0
301.16455	12.1
309.96378	1.1
393.26413	1.9
411.27463	8.0
423.27390	38.0
431.28000	1.3
437.29099	8.2
449.29263	1.5
463.30713	8.3
477.28473	3.3
481.30930	1.2
495.29016	73.6
496.29669	1.9
513.23444	1.9
513.30554	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
59.48876	1.6
61.02645	1.5
61.02928	20.4
65.03937	1.6
67.05502	100.0
69.03426	9.8
69.07070	18.8
71.01345	2.3
71.04987	9.8
71.59156	1.6
73.02917	10.3
79.05054	2.6
79.05493	40.8
81.03414	14.7
81.07053	82.8
83.04981	10.9
83.08618	21.0
85.02905	29.4
85.06530	5.4
87.04456	3.9
91.03968	14.7
91.05477	27.6
93.07042	41.3
94.67879	1.6
95.04981	13.0
95.08605	24.2
97.02892	15.5
97.06528	12.8
97.10172	16.1
99.04465	1.4
99.08115	3.3
103.03954	2.8
105.07032	15.1
107.04943	3.6
107.08591	32.1
109.06502	5.6
109.10151	51.4
111.04498	1.9
111.08059	9.2
115.05423	1.6
117.06996	8.2
118.46323	1.7
119.08588	13.4
121.06485	2.9
121.10139	12.9
123.08084	2.1
123.11684	5.4
125.09612	13.7
127.03898	7.0
129.05469	6.6
129.07007	3.1
131.08559	10.1
133.10136	12.5
135.08064	3.7
135.11700	10.9
137.09602	2.9
143.06976	1.4
143.08575	1.6
143.10725	2.3
145.04970	4.2
145.10133	5.6
147.11685	6.3
149.09663	2.3
149.13263	11.7
153.12798	2.5
155.10573	1.9
157.10081	2.7
159.11707	7.3
163.06003	5.2
163.11214	9.1
165.12775	4.3
173.09598	1.9
173.11752	16.6
177.12732	4.5
181.12244	3.2
185.11736	1.7
191.10666	2.9
193.12285	4.9
195.13762	14.6
199.13181	3.4
209.11716	7.1
211.13336	3.6
213.14749	1.8
227.12759	9.9
229.14320	43.8
239.16437	4.6
257.13950	1.9
267.15921	12.2
269.10471	1.8
269.17480	58.2
283.15494	8.3
285.16803	2.0
295.19019	2.3
299.46887	1.4
301.16507	17.0
313.16409	2.6
323.18280	3.0
339.22928	1.7
371.36310	1.6
393.26123	2.4
411.27429	4.7
423.27386	45.1
431.27905	5.2
437.28864	1.9
449.28549	2.7
463.30438	5.1
477.28354	6.4
495.29471	96.8
496.30051	3.1
513.30597	28.7
705.99896	1.8
755.02710	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	8.9
65.03918	1.7
67.05496	26.2
69.03420	6.3
69.03793	0.3
69.07057	7.5
71.01339	0.6
71.04984	5.9
71.60147	0.5
73.02542	0.4
73.02906	3.8
73.06550	0.3
77.03917	0.5
79.05483	29.4
81.03407	87.9
81.07046	33.3
82.03732	0.3
83.04971	20.4
83.08608	29.3
85.02895	41.3
85.06535	2.8
87.04447	0.7
88.17780	0.2
91.03944	6.9
91.05469	41.4
93.03419	0.4
93.07031	20.1
95.04956	36.2
95.08593	12.8
95.09217	0.5
96.04482	0.4
97.02881	9.0
97.06519	5.2
97.10153	4.8
99.04452	1.2
99.08087	1.6
101.02369	0.3
101.06020	0.7
103.03951	0.5
103.05483	0.7
105.07017	28.5
106.11485	0.2
107.04939	9.6
107.08585	9.4
107.09208	0.2
109.02876	1.1
109.06504	7.1
109.10143	4.0
111.04432	3.3
111.08063	13.5
113.06002	2.9
115.03924	0.3
115.05463	1.7
116.06208	0.4
117.07001	2.2
119.04922	1.4
119.08568	26.2
121.06504	2.6
121.10128	11.4
121.11014	0.5
123.04398	0.4
123.08045	3.3
123.11682	2.2
125.05974	0.7
125.09603	2.3
127.03876	2.4
127.07561	0.9
128.06203	1.1
129.06989	15.9
131.08557	15.5
133.06480	4.1
133.10114	15.1
135.08052	0.8
135.11688	0.9
137.05919	0.3
137.09598	2.9
137.13286	0.4
141.06963	0.6
142.07761	3.6
143.08488	0.5
145.04947	2.3
145.06532	0.6
145.10088	2.5
147.04465	0.3
147.08040	4.2
147.11668	21.4
149.09604	8.9
151.11157	0.8
155.08566	0.4
157.10109	19.7
159.11761	0.3
161.09624	0.3
163.06009	2.4
163.11148	1.6
165.12733	4.5
169.10114	0.3
171.11633	0.7
173.09642	0.3
175.11166	20.9
185.13239	0.3
189.11201	1.0
193.12218	62.5
194.12564	0.4
197.13446	0.3
199.11292	0.4
203.33289	0.3
211.13260	100.0
212.13652	0.9
227.12805	0.7
229.14322	0.7
231.13829	0.4
233.15370	0.5
249.14833	1.2
249.61908	0.3
267.15878	50.6
268.16235	0.8
273.14810	0.6
274.06378	0.3
285.16922	92.8
286.17401	0.9
313.16437	0.3
321.22101	0.3
339.23300	0.5
349.21588	1.1
357.24222	0.3
367.22714	3.5
385.23685	5.7
403.24664	1.9
411.20187	0.4
429.21405	0.5
433.25854	2.5
441.26367	2.3
459.27347	36.1
460.27527	0.6
477.28415	37.9
478.28439	0.7
495.29474	97.2
496.29663	1.4
560.22119	0.3
582.07813	0.3
585.30591	0.3
621.32843	0.7
639.33752	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	852.51
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	2.5
67.05498	48.0
69.03426	8.7
69.06716	2.0
69.07064	25.7
71.04984	4.6
71.59350	1.2
71.59784	1.7
72.06097	1.3
72.08138	7.0
79.05486	35.7
81.03419	10.2
81.07051	46.5
83.04980	8.2
83.08619	10.7
85.02887	2.1
85.06547	2.2
91.05474	43.2
91.33404	1.5
93.07038	32.9
95.04957	15.9
95.08594	19.0
97.02875	10.0
97.06517	4.7
97.10164	8.1
99.04458	1.4
105.07028	32.3
107.04955	11.3
107.08589	26.6
109.02859	2.2
109.06490	6.7
109.10147	25.5
111.04456	2.3
111.08092	4.2
113.06004	2.2
117.07011	10.0
119.04966	1.4
119.08582	15.4
121.06504	9.3
121.10155	8.9
123.08051	4.5
123.11699	5.6
125.09638	5.6
128.06210	2.1
129.07001	6.5
131.08565	12.8
133.06462	6.6
133.10129	39.7
135.08057	10.1
135.11694	4.4
137.06052	2.1
137.09592	4.1
142.07744	1.5
143.08569	5.4
145.06509	2.6
145.10101	9.8
147.08020	7.5
147.11684	5.9
149.09599	5.9
149.13269	2.4
151.11176	14.1
157.10100	4.1
159.11696	3.9
161.09627	5.9
163.11195	2.7
165.09164	2.5
169.12247	4.6
171.11726	4.5
173.09558	1.9
173.13271	2.0
175.11128	3.7
177.09160	2.0
179.10689	2.3
183.11722	1.8
183.63655	1.4
185.13351	1.7
189.11270	3.2
189.12787	2.6
193.12242	2.2
195.13782	1.6
205.12273	1.6
211.13152	1.9
214.75650	1.3
215.12820	1.8
223.13251	13.1
227.12857	3.7
227.17876	1.5
245.18987	4.1
249.14799	3.5
251.12723	2.0
253.14325	58.2
255.17601	2.3
263.20148	3.0
273.15448	2.2
273.18448	38.0
289.17850	2.0
291.19519	100.0
292.19742	2.6
302.99371	1.3
309.20493	3.1
347.22095	12.9
365.23190	42.0
543.33423	4.8
561.34216	14.7
637.40863	10.1
655.42041	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	852.51
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	0.7
67.05502	17.7
69.03426	7.1
69.07063	19.6
71.04949	1.4
72.08125	0.7
77.03889	0.4
79.05489	16.5
81.03410	4.2
81.07052	14.8
83.04982	3.1
83.08611	7.3
85.02878	0.4
85.06508	0.8
91.05476	12.6
93.07034	12.5
94.04147	0.6
94.20553	0.3
95.04961	6.0
95.08603	7.0
97.02880	7.6
97.06525	3.2
97.10162	9.6
99.04422	0.4
103.05395	0.8
105.03385	0.5
105.07024	9.2
107.04292	0.4
107.04950	5.5
107.08585	9.1
108.05680	0.4
109.02858	0.7
109.06508	2.6
109.09464	0.4
109.10139	5.4
111.04402	0.4
111.08020	1.4
115.05417	1.0
116.06187	0.4
117.07023	5.8
119.04899	1.6
119.08573	10.6
120.05702	0.4
121.06516	2.4
121.10134	3.6
123.04395	0.6
123.08050	2.9
123.11684	0.7
125.06056	0.3
125.08762	0.5
125.09619	7.3
127.03893	0.5
128.06190	0.9
129.06990	2.9
130.07759	0.7
131.04970	0.3
131.08548	5.7
132.05693	0.3
133.06474	3.3
133.10123	4.1
134.07271	0.7
135.08070	2.1
135.11720	2.4
136.38985	0.3
137.09634	2.0
141.06955	0.6
143.08563	2.6
145.06445	1.1
145.10115	5.1
147.08037	5.3
147.11668	2.4
149.09639	1.6
149.13249	1.9
149.14339	0.3
151.11075	0.5
153.09012	1.0
155.08522	0.5
157.10138	2.3
159.08008	0.8
159.11708	2.1
161.09607	2.3
161.13199	0.6
162.10342	0.8
163.11150	1.5
165.09013	1.1
168.10954	0.3
169.10112	0.6
169.12193	0.6
171.10220	0.7
171.11668	0.9
173.09557	1.0
173.13194	0.5
175.11182	2.7
177.12761	1.8
179.10524	0.5
181.10106	0.6
183.11694	0.4
185.09633	0.7
185.13190	0.8
187.11214	0.5
189.11230	3.7
189.12756	0.6
193.12270	0.7
195.11725	0.7
195.13725	1.3
199.14812	0.4
203.10658	0.3
205.12230	1.2
211.13205	0.7
213.14705	0.5
219.13864	0.5
221.11696	0.4
223.13261	16.4
227.12756	5.3
227.17912	0.9
233.15367	0.4
235.13187	0.4
245.19000	1.8
249.14830	3.3
255.17426	1.1
263.20059	0.5
267.15936	1.5
269.17429	0.4
273.18484	13.3
275.19928	0.5
283.15387	0.4
285.88913	0.3
289.17978	0.5
291.19519	100.0
292.19864	1.8
309.20605	0.6
312.90262	0.4
347.22192	3.2
349.23468	0.3
363.21832	0.4
365.23206	46.8
366.23526	1.1
535.32709	0.9
557.34344	1.7
573.34576	0.6
575.35455	1.7
587.35510	1.0
627.42047	0.4
637.40997	2.5
655.41992	43.2
656.42426	1.8
673.43097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	0.7
65.03916	2.6
67.05499	44.9
67.59220	0.6
69.03423	8.6
69.07063	23.8
71.04993	3.8
71.10266	0.6
72.08128	2.2
72.72799	0.5
77.03925	0.7
79.05487	30.7
81.03054	0.5
81.03417	6.8
81.07050	42.9
83.04976	7.7
83.08221	0.7
83.08617	8.7
85.02879	1.2
85.06535	3.8
88.71986	0.6
91.05473	39.3
93.07036	30.7
95.01334	0.8
95.04964	11.9
95.08599	15.5
97.02902	5.1
97.06514	5.0
97.10161	8.3
99.04436	1.3
103.05416	0.9
105.03398	0.8
105.07021	33.7
107.04945	10.7
107.08585	27.6
109.02863	1.0
109.06502	6.6
109.10143	32.7
111.04432	1.1
111.08057	2.2
111.95928	0.6
113.05986	1.3
115.05437	1.9
116.06207	1.0
117.07001	8.9
119.04927	1.5
119.08566	13.2
121.06491	8.4
121.10141	6.2
123.04420	1.4
123.08073	5.0
123.11678	4.5
125.09608	6.7
127.07529	1.4
128.06236	1.9
129.07001	3.7
130.07777	1.2
131.04921	0.8
131.08549	12.2
133.06499	4.4
133.10118	39.7
134.07234	0.9
135.08026	6.8
135.11682	3.7
136.91153	0.6
137.09613	3.3
141.06987	0.9
142.07654	0.7
143.08585	5.6
145.06454	1.5
145.10106	8.2
147.08008	7.0
147.11679	3.6
149.09589	4.3
149.13225	2.0
151.11165	20.7
153.09062	0.8
155.08496	0.8
157.10101	3.2
159.08051	1.5
159.11642	2.2
161.09613	5.3
161.13272	1.7
162.10358	0.6
163.11168	2.5
165.09102	1.8
165.12720	0.7
169.10109	1.4
169.12241	3.2
171.10341	0.7
171.11710	2.6
173.09590	1.2
173.13280	1.2
174.90596	0.6
175.11189	4.3
177.09149	1.6
177.12724	1.8
179.10672	2.1
181.10104	0.9
181.12334	0.6
185.13257	1.9
187.11241	0.7
189.11189	2.9
189.12770	1.6
193.12180	1.5
195.11702	0.7
195.13788	1.3
197.11609	0.8
199.11247	0.6
199.14786	0.8
203.14372	0.7
205.12230	1.7
213.12671	0.8
213.16196	0.8
215.12749	2.3
223.13287	12.7
227.12793	3.3
227.17877	1.6
231.13739	1.0
237.16371	1.1
245.18985	3.0
249.14804	3.2
251.12720	2.7
253.14333	89.5
254.14743	1.1
255.17453	2.9
263.20071	3.6
267.16058	0.7
271.15326	0.8
273.15472	1.3
273.18475	32.3
291.19519	100.0
292.19897	1.8
307.46295	0.7
309.20496	1.5
317.63791	0.6
329.21237	1.5
333.09430	0.7
347.22162	10.0
365.23199	42.3
423.23291	1.3
530.34338	0.6
543.33051	5.2
559.32550	1.5
561.34174	15.9
575.35486	1.2
594.94629	0.7
637.40985	8.6
655.41998	27.3
656.42395	1.4
852.50427	0.7
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
63.19846	1.8
63.21981	1.3
65.03925	2.9
67.05502	45.1
69.03410	3.6
69.07059	12.6
69.27440	6.7
69.27875	10.7
71.04973	4.5
72.08138	5.2
79.05492	27.5
81.03393	7.5
81.07056	50.4
83.04964	8.1
83.08607	6.5
85.02882	1.7
85.06532	6.2
91.05476	48.9
93.07047	30.7
95.04954	11.6
95.08601	17.7
97.02871	1.9
97.06517	4.6
99.04431	1.9
103.05462	2.7
105.07024	39.8
107.04971	8.8
107.08591	29.7
109.06507	7.6
109.10152	42.8
109.94320	1.4
111.08075	3.5
115.05451	1.6
117.07014	7.3
117.48967	1.7
119.04953	1.8
119.08569	9.1
120.38428	1.5
120.67928	1.5
121.06514	11.5
121.10124	7.0
123.08046	5.7
123.11704	6.3
125.09683	1.4
129.06964	3.8
129.90796	1.4
131.08553	13.3
133.06470	4.9
133.10124	60.3
135.08054	7.7
135.11655	5.0
137.09596	2.2
143.08513	4.6
143.98781	1.5
145.06416	2.0
145.10118	6.3
147.08032	2.6
147.11678	5.1
147.68130	1.5
149.09608	5.7
151.11182	32.1
157.10120	3.2
159.07979	2.1
159.11717	2.7
161.09578	7.7
163.07640	1.9
163.11139	2.0
169.10100	1.9
169.12201	4.2
171.11671	4.2
173.09625	2.1
175.11198	4.3
177.09145	2.9
187.11147	1.7
215.12819	5.2
238.81038	1.6
245.18994	3.4
251.12868	2.9
253.14351	100.0
255.17491	2.9
263.19968	4.3
271.15414	5.1
273.18463	37.5
289.17752	1.7
291.19550	22.8
302.96677	1.9
309.20621	2.0
347.22067	8.8
365.23230	28.5
421.25781	2.4
439.85391	1.5
449.25244	15.5
463.67670	1.7
523.97900	1.7
543.32806	5.4
561.34283	8.1
637.40973	3.2
655.41919	15.1
778.94476	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	852.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	4.3
67.05503	54.0
69.03426	6.7
69.07068	11.8
71.04975	5.8
72.08144	7.8
79.05498	34.5
81.03416	11.8
81.07059	53.7
83.04980	8.0
83.08625	5.5
85.06544	3.7
91.05480	53.5
93.07042	39.0
95.04964	12.0
95.08611	20.1
97.02896	3.3
97.06581	4.3
98.20765	4.4
105.06382	3.5
105.07037	44.9
107.04964	7.3
107.08591	31.6
108.17294	2.3
109.06512	9.2
109.10155	38.1
111.08081	4.3
112.91992	2.2
117.07015	9.9
119.08587	14.6
121.06499	14.2
121.10114	6.7
123.04377	2.4
123.08089	4.2
123.11665	6.3
129.06937	4.9
131.08582	15.1
133.06511	3.8
133.10124	49.1
135.08043	12.3
135.11652	5.2
141.06912	2.8
143.08559	5.5
145.06421	3.6
145.10115	8.8
147.08034	3.8
147.11658	4.9
149.09590	7.3
151.11169	31.5
157.10139	2.5
159.08049	2.7
159.11671	4.7
161.09633	10.1
161.13283	2.4
169.12279	5.0
171.11662	2.7
175.11230	3.5
177.09169	2.7
179.10735	3.5
181.08391	2.2
189.12753	2.2
215.12715	6.0
245.19058	6.4
253.14339	100.0
263.20035	4.9
271.15350	5.4
273.18488	44.6
273.21237	3.8
291.19589	30.7
299.51105	2.6
309.20554	3.2
329.21021	3.4
347.22156	10.1
365.23285	27.8
394.30392	2.4
432.09814	2.2
433.32327	2.4
449.25430	13.7
520.95245	2.8
525.32465	3.4
543.33038	8.6
561.34125	7.8
567.66663	2.3
655.42072	21.7
731.07446	2.5
852.48444	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	851.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.7
62.71415	0.2
65.03935	0.4
67.05505	4.2
69.03429	3.6
69.07051	1.1
71.01344	0.4
71.04990	0.4
73.02914	3.5
79.05486	5.1
81.03411	3.0
81.07058	4.1
83.04981	1.3
83.08588	0.5
85.02901	6.2
85.03417	0.3
87.04463	0.5
91.03957	3.5
91.05471	4.8
91.06004	0.4
93.07042	4.7
95.04948	1.7
95.08606	2.4
97.02885	5.9
97.06535	0.5
97.10175	0.5
99.04459	1.0
101.02390	1.8
105.07017	3.9
107.04975	0.5
107.08582	1.8
109.02899	1.3
109.06509	0.8
109.10143	0.8
111.04479	0.4
115.03918	0.8
117.07021	0.8
119.08581	2.2
121.06530	0.3
121.10151	0.8
123.08086	0.4
127.03924	1.7
129.06995	1.4
131.08569	0.5
133.10135	1.7
135.11728	0.7
143.08549	0.7
145.04887	0.3
145.10155	1.0
147.11679	2.9
161.09593	0.5
161.13300	1.0
171.11670	1.9
173.06671	0.3
181.10030	0.3
185.04250	0.9
189.12827	0.4
194.22057	0.3
203.05392	0.5
207.04984	0.3
207.13869	0.6
243.08347	1.9
247.13091	2.2
259.20590	0.3
265.12979	0.5
267.09149	0.6
281.17581	1.1
285.10126	1.3
286.10428	0.5
303.15518	1.4
307.14053	0.4
324.11624	0.5
347.09497	2.3
348.16928	0.3
363.09012	0.7
365.10870	0.7
378.56006	0.3
405.13626	5.1
436.19092	0.3
437.19931	0.3
462.72467	0.3
465.20917	14.4
466.21552	0.3
481.18918	0.3
492.34125	0.4
627.15790	0.6
627.26154	12.2
689.34613	2.1
731.37103	0.3
791.32196	0.3
851.40265	100.0
852.40405	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	850.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	1.0
59.68606	0.9
61.02924	7.1
65.03928	2.2
67.05499	44.1
69.03440	4.2
69.07066	12.1
71.04984	6.8
73.02901	2.9
73.06544	1.8
77.03896	1.1
79.05487	69.7
81.03413	53.8
81.07049	49.7
83.04976	20.9
83.08136	1.4
83.08614	21.7
85.02899	20.5
85.06535	3.5
87.04470	1.6
91.03939	3.7
91.05475	63.3
93.07037	63.9
95.04964	34.3
95.08601	27.1
97.02892	7.7
97.06509	5.7
97.10174	7.1
99.04482	0.9
99.08079	2.0
103.05473	1.3
105.04522	1.7
105.07020	44.2
107.04939	8.7
107.08595	18.2
109.06518	9.7
109.10147	5.0
111.04427	2.0
111.08083	6.8
113.06006	2.1
115.05471	1.7
117.07012	9.2
119.04914	1.2
119.08572	34.0
119.55495	1.1
121.06519	3.2
121.10136	9.9
123.04482	1.0
123.08076	6.7
123.11684	1.4
125.09593	2.0
127.03886	1.5
127.07569	1.9
128.06184	2.2
129.06987	24.5
129.07899	1.7
131.08575	8.5
133.06435	2.8
133.10118	16.8
135.08121	0.9
135.11664	2.6
137.09583	2.3
141.09091	1.3
142.07787	1.4
143.08549	7.1
145.10110	10.2
147.08075	4.2
147.10480	1.9
147.11673	39.5
148.11913	0.9
149.09610	3.6
156.09348	1.0
157.10118	10.8
159.11607	1.8
161.09630	3.7
161.13237	9.8
163.11153	2.6
165.12744	2.6
169.10193	0.9
169.25591	0.9
171.11684	23.6
175.11147	10.7
189.12706	8.4
193.12233	28.4
207.13794	25.5
210.26285	0.9
211.11287	1.8
211.13277	28.0
213.82892	0.8
214.16151	0.8
215.15787	0.8
229.83847	1.5
249.15025	1.4
267.15891	33.3
269.17590	1.0
281.17456	91.0
282.17676	1.6
285.16928	28.9
455.28088	1.5
473.28967	100.0
474.29358	2.0
491.30008	88.0
492.30331	1.9
635.33777	2.4
684.97229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	1.1
61.02915	3.7
65.03941	1.6
67.05502	28.3
69.03415	3.2
69.07062	6.3
71.04472	1.2
71.04997	3.7
72.08144	0.7
73.02899	1.7
73.06580	1.1
77.03922	1.2
79.05489	42.2
81.03413	40.4
81.07053	29.9
83.04976	13.9
83.08612	15.5
85.02905	14.1
85.06542	2.1
91.03941	2.2
91.05474	42.3
93.07039	37.9
95.04964	23.5
95.08602	14.6
97.02891	5.2
97.06512	3.7
97.10159	3.3
99.08072	1.4
105.07024	28.1
107.04952	6.5
107.08578	11.1
109.06525	5.2
109.10154	3.2
111.04425	1.5
111.08050	5.5
113.06030	2.1
117.07015	5.1
118.97988	0.8
119.08574	19.5
121.06516	2.2
121.10137	7.2
123.08045	3.8
123.11693	1.3
125.09617	0.7
127.03895	1.1
127.07543	1.4
128.06216	2.0
129.06992	12.8
131.08574	7.2
133.06468	2.7
133.10124	11.9
135.11694	1.1
137.09641	1.2
141.09106	0.7
142.07755	1.5
143.08554	4.3
145.10141	6.1
147.08029	2.5
147.11678	28.3
149.09627	4.6
157.10127	6.6
157.23610	0.7
161.09625	2.6
161.13261	5.7
163.05969	0.8
163.11171	0.8
165.12790	1.6
167.49094	0.7
171.11668	13.7
175.11183	9.0
189.12738	5.8
193.12233	23.1
193.87225	0.8
195.83424	0.7
207.13771	13.3
207.15652	0.8
211.13287	28.4
225.14755	1.2
227.04878	0.7
229.14388	0.9
249.14838	1.9
267.02139	0.7
267.08649	0.9
267.15891	30.8
281.17462	41.9
285.16949	27.3
403.57684	0.9
411.19785	0.8
445.29059	0.8
455.27487	0.9
473.28979	100.0
474.29236	3.4
491.30032	70.0
492.30127	1.4
631.19543	0.7
635.34265	2.0
752.59729	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	2.6
61.02923	12.5
65.03926	2.7
66.38087	0.8
67.05502	100.0
68.05812	1.0
69.03402	3.2
69.07060	8.4
70.58856	0.7
71.04981	4.0
71.08649	0.9
72.08134	2.3
73.02901	3.8
79.05058	1.4
79.05492	20.8
81.03420	2.1
81.07055	41.0
83.04969	1.2
83.08613	8.5
83.97774	0.9
85.02431	0.9
85.02902	13.1
85.06539	3.2
91.03942	8.2
91.05473	15.6
93.07046	26.3
95.04955	3.1
95.08606	31.8
97.02887	7.0
97.06534	0.9
97.10143	2.5
98.20705	1.8
99.04433	1.2
99.08084	1.8
105.07029	8.2
107.08589	16.9
109.06525	1.7
109.10154	72.3
111.08080	3.2
117.06998	3.9
119.08572	13.7
121.10134	14.3
123.11749	4.3
123.12455	0.9
125.09606	2.0
127.03900	3.3
131.08559	7.5
133.10126	6.0
135.11685	8.1
137.09602	3.3
137.13254	1.4
143.08521	1.0
145.04944	3.4
145.10149	4.1
147.11691	3.7
149.13255	6.0
151.14775	1.0
155.10681	3.8
159.11664	4.2
161.13251	2.5
163.06004	4.1
163.14806	3.3
173.11761	23.4
173.13242	3.8
175.14674	1.0
182.26369	0.7
187.14780	1.7
189.11198	1.4
205.21515	0.7
227.12813	5.0
229.14343	87.8
243.21103	6.3
261.22128	22.5
317.24792	5.0
335.25793	72.2
379.30020	1.5
397.31079	1.1
415.32175	2.0
416.25403	0.9
471.34525	2.4
489.35739	77.6
490.36154	1.2
507.36963	6.7
848.49963	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	848.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04982	2.6
61.02923	12.5
65.03926	2.7
66.38087	0.8
67.05502	100.0
68.05812	1.0
69.03402	3.2
69.07060	8.4
70.58856	0.7
71.04981	4.0
71.08649	0.9
72.08134	2.3
73.02901	3.8
79.05058	1.4
79.05492	20.8
81.03420	2.1
81.07055	41.0
83.04969	1.2
83.08613	8.5
83.97774	0.9
85.02431	0.9
85.02902	13.1
85.06539	3.2
91.03942	8.2
91.05473	15.6
93.07046	26.3
95.04955	3.1
95.08606	31.8
97.02887	7.0
97.06534	0.9
97.10143	2.5
98.20705	1.8
99.04433	1.2
99.08084	1.8
105.07029	8.2
107.08589	16.9
109.06525	1.7
109.10154	72.3
111.08080	3.2
117.06998	3.9
119.08572	13.7
121.10134	14.3
123.11749	4.3
123.12455	0.9
125.09606	2.0
127.03900	3.3
131.08559	7.5
133.10126	6.0
135.11685	8.1
137.09602	3.3
137.13254	1.4
143.08521	1.0
145.04944	3.4
145.10149	4.1
147.11691	3.7
149.13255	6.0
151.14775	1.0
155.10681	3.8
159.11664	4.2
161.13251	2.5
163.06004	4.1
163.14806	3.3
173.11761	23.4
173.13242	3.8
175.14674	1.0
182.26369	0.7
187.14780	1.7
189.11198	1.4
205.21515	0.7
227.12813	5.0
229.14343	87.8
243.21103	6.3
261.22128	22.5
317.24792	5.0
335.25793	72.2
379.30020	1.5
397.31079	1.1
415.32175	2.0
416.25403	0.9
471.34525	2.4
489.35739	77.6
490.36154	1.2
507.36963	6.7
848.49963	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02747	0.8
61.02922	5.2
67.05513	6.4
69.03435	3.1
69.07056	1.3
69.35320	2.1
69.35718	7.8
71.04995	1.1
71.35809	0.9
73.02924	5.0
75.41973	0.8
79.05492	4.1
80.47013	0.8
81.03434	1.7
81.06600	1.3
81.07038	6.2
85.02893	4.2
91.03947	3.3
91.05498	2.8
93.07021	4.4
95.05014	1.1
95.08621	3.4
97.02875	4.6
99.04488	1.3
101.02399	1.4
107.08578	1.3
109.10151	1.6
115.35593	0.9
119.08585	1.9
121.10195	1.8
127.03899	1.2
145.10162	0.9
147.11743	1.0
159.11711	1.1
168.29984	0.8
172.71814	1.0
243.08574	3.1
250.64023	1.0
281.09689	0.8
349.19769	2.5
519.29083	7.9
567.28046	2.2
591.31445	1.3
845.50140	100.0
846.50201	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	846.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	1.8
65.03917	2.1
67.05502	21.9
69.03424	0.6
69.07063	5.9
71.04971	1.3
73.02915	0.8
73.06545	0.8
79.05488	35.7
81.03412	4.4
81.07054	20.5
82.72825	0.4
83.04989	5.9
83.08622	3.4
83.65008	0.4
85.02894	2.0
85.06522	1.5
87.04435	0.4
91.03928	1.0
91.05476	29.3
93.07039	36.1
95.04966	12.0
95.08602	12.2
97.02869	1.4
97.06521	2.7
97.10152	1.7
98.21249	2.5
99.04413	0.4
103.98391	0.5
105.04515	0.7
105.07024	21.9
107.04915	3.2
107.08595	7.2
109.06512	3.4
109.10160	2.6
111.08087	1.2
115.05438	0.5
117.06995	4.7
119.08573	13.7
119.26292	0.4
121.06499	2.2
121.10178	1.6
123.08059	3.5
124.31232	0.4
127.03877	0.5
127.07516	0.6
128.06184	1.1
129.07004	11.1
129.38188	0.5
130.07747	0.5
131.08549	1.6
133.10124	5.8
135.11703	0.9
143.08545	4.7
145.06387	0.5
145.10114	6.1
147.08037	1.4
147.11676	20.4
159.11620	0.5
161.09653	2.3
161.13239	6.1
163.11200	0.7
169.10124	0.4
171.11673	12.9
189.12752	5.9
207.13791	15.2
225.14828	1.6
227.08646	0.6
263.16422	1.1
279.15793	0.7
281.17453	40.3
284.39340	0.5
448.96143	0.5
469.29410	1.4
487.30530	100.0
488.30957	2.1
567.33075	0.9
603.71960	0.5
631.34631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05012	0.3
61.02920	4.2
65.03913	0.3
66.54215	0.2
67.05499	4.4
69.03423	3.4
69.07062	2.3
71.01370	0.4
71.04974	0.6
72.08144	0.5
73.02912	3.9
76.08746	0.3
77.03928	0.3
77.06660	0.3
79.05483	5.8
79.05900	0.5
81.03410	2.3
81.07049	5.6
83.04996	0.7
83.08620	1.1
85.02893	4.6
85.06559	0.2
90.68405	0.2
91.03944	2.7
91.05470	5.2
93.07034	6.0
95.04964	1.4
95.08602	3.0
97.02885	4.5
97.06543	0.6
97.10182	0.3
99.04471	0.8
101.02372	1.7
103.03948	0.3
105.07023	3.3
107.04961	0.4
107.08570	3.0
109.02862	0.6
109.06502	0.5
109.10144	1.4
111.08109	0.3
115.03944	0.5
117.07015	1.3
119.08575	2.7
121.10124	1.7
123.08097	0.5
125.09618	0.4
127.03923	1.4
129.06995	0.8
131.08543	1.8
133.10120	2.3
135.08025	0.3
135.11646	1.4
143.08551	0.3
145.10133	0.9
147.11635	1.5
149.13271	0.5
159.11662	0.7
161.13251	0.7
173.13237	0.3
173.64481	0.2
185.04259	1.0
201.03825	0.5
203.05312	0.5
218.21313	0.2
241.06752	0.3
243.08380	4.0
253.12888	0.3
259.08023	0.3
259.20731	0.5
301.08997	2.2
313.08878	0.5
315.10516	0.7
327.10376	0.3
333.20337	2.9
341.12216	0.4
369.15381	0.3
371.16840	0.4
373.11169	0.6
373.23730	0.5
385.18787	0.5
389.23172	0.6
423.19904	0.4
439.19495	0.8
445.25763	0.4
453.21017	0.9
457.20416	0.3
465.21179	1.0
469.20450	0.4
535.28754	8.8
535.36688	0.5
541.22345	0.5
551.28162	6.2
552.28778	0.3
623.30383	1.6
637.31964	0.5
747.42407	0.4
775.41455	0.3
845.50104	100.0
846.50598	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	845.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02936	5.2
65.03922	0.7
67.05497	5.8
69.03426	3.6
69.07068	1.9
71.04994	0.9
71.59309	0.7
72.08150	1.8
73.02905	3.7
79.05491	5.9
81.03425	2.7
81.07060	5.3
83.05011	0.8
83.08597	1.0
85.02914	4.9
91.03944	2.0
91.05472	5.2
93.07037	4.9
95.04972	1.5
95.08603	2.7
95.27666	0.7
97.02922	3.8
97.10184	0.9
101.02376	1.7
105.06999	4.9
107.08579	3.6
109.02848	1.0
109.06510	0.8
109.10143	1.3
110.57291	0.7
117.07042	1.0
118.86125	0.7
119.08587	2.8
121.10165	1.7
122.12068	0.8
125.09645	1.0
127.03904	1.2
130.57190	0.7
131.08521	1.6
133.10146	1.9
135.11697	1.9
143.08588	1.1
147.11703	1.9
159.11688	1.1
161.13246	1.3
243.08418	4.0
298.95108	0.8
301.09000	1.7
315.10730	1.0
333.20419	2.0
369.15112	0.9
373.10980	0.8
419.37766	0.8
453.21109	0.8
465.20926	1.2
535.28644	6.1
537.63226	0.7
551.28052	7.5
623.29956	1.3
775.40771	0.8
845.50153	100.0
846.50787	4.3
863.97107	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05524	0.9
70.16243	1.4
70.16640	1.4
80.63301	0.6
81.07066	1.4
85.02903	0.8
87.11826	0.6
91.05477	1.0
93.07052	0.8
95.08608	1.0
103.61649	0.6
107.08538	0.6
121.10159	0.8
146.14485	0.6
163.83888	0.6
333.17435	0.8
463.23666	0.7
515.10260	0.7
542.73383	0.9
551.26691	2.2
646.20782	0.7
759.42847	1.5
845.48157	100.0
846.48511	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	845.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89637	1.4
79.08185	1.1
80.83511	1.3
98.21497	3.3
258.50162	1.5
493.73953	1.3
845.48059	100.0
846.47839	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	845.501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.6
65.27812	0.4
67.05503	3.4
69.03431	2.5
69.07053	2.1
71.05011	0.7
73.02910	2.5
79.05490	3.6
81.03421	1.6
81.07050	5.4
83.04955	0.5
83.08626	0.6
85.02905	3.6
91.03972	1.9
91.05473	3.1
93.07028	4.5
95.04942	1.2
95.08587	2.7
97.02872	3.1
98.20688	0.8
99.04482	0.7
101.02378	1.9
105.07032	2.8
107.08588	2.4
109.02892	0.6
109.06487	0.5
109.10158	1.2
117.07038	1.3
119.08585	2.9
121.10133	1.3
123.08078	0.5
127.03923	1.6
131.08586	1.0
133.10155	2.1
135.11687	1.1
145.10147	1.0
147.11719	1.6
157.04733	0.5
159.11693	0.6
161.13277	0.5
175.14886	0.5
185.04198	0.9
234.34947	0.5
243.08371	2.9
275.20224	0.7
301.08997	1.2
313.09216	0.5
315.10306	1.1
326.31293	0.5
333.20374	3.1
371.16467	0.5
373.11053	0.8
389.22961	0.6
423.20245	1.2
425.21872	0.6
445.24921	0.5
481.20761	0.5
483.21536	1.1
488.07605	0.5
535.28833	5.3
536.29102	0.6
551.28137	8.2
552.28729	0.8
607.31024	0.6
623.30920	0.5
645.65851	0.5
799.43817	0.5
844.48981	0.7
845.50073	100.0
846.50543	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	843.4851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.7
67.05501	8.8
67.05828	0.8
68.05833	0.5
69.03428	2.7
69.07063	3.6
69.86037	0.4
71.04996	0.9
72.08162	0.9
73.02918	2.9
79.05489	7.9
81.03432	1.9
81.07049	7.8
83.04987	0.8
83.08633	2.0
85.02889	3.3
85.06558	0.4
91.03963	1.7
91.05476	6.2
93.07037	8.6
94.07417	0.6
95.04971	1.5
95.08621	5.1
96.08939	0.5
97.02885	4.0
97.06539	0.9
97.10213	1.4
98.21523	1.0
99.04472	1.0
101.02394	1.1
105.07025	4.6
107.04965	0.8
107.08577	3.5
109.02867	0.7
109.06528	0.5
109.10148	2.2
110.10508	0.4
111.08072	0.6
117.07023	1.8
119.08591	3.0
120.90603	0.4
121.10152	2.5
122.10489	0.4
123.08048	0.5
123.11738	0.8
123.78703	0.4
125.09637	1.0
127.03899	0.5
127.07396	0.4
127.97763	0.4
129.07059	0.8
131.08566	2.5
131.21832	0.4
133.10149	2.6
133.25677	0.5
135.08092	0.6
135.11729	1.6
137.09616	0.5
143.08560	0.8
145.10153	1.5
147.11708	1.1
149.09627	0.7
149.13287	1.0
159.11723	0.9
160.11929	0.4
161.13263	0.9
169.14572	0.4
171.11737	0.6
185.04243	1.1
189.11330	0.6
223.13341	0.8
229.14342	1.0
241.06900	0.6
243.08369	4.4
243.10307	0.4
261.22256	0.6
269.17624	0.6
275.20099	1.2
291.19641	1.3
301.09030	1.6
315.19296	0.5
317.21078	0.5
327.10437	0.5
331.18643	2.5
335.25729	3.1
336.26080	2.7
350.24042	0.5
368.25168	0.5
369.15305	0.6
373.11197	0.5
453.20901	0.5
465.21332	0.8
529.39050	1.3
530.39014	2.3
533.27026	1.0
535.28802	6.3
539.20709	0.5
549.26678	3.9
551.28571	1.0
609.45135	0.9
610.45544	1.7
621.28845	0.9
628.46228	0.7
736.01361	0.5
843.48547	100.0
844.48639	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	843.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	4.9
65.03924	0.5
67.05510	4.0
69.03432	3.2
69.07071	1.6
71.01348	0.7
71.04974	0.5
72.08180	0.7
73.02916	3.6
79.05495	4.7
81.03418	3.1
81.07061	5.2
83.05008	0.9
83.08643	1.2
85.02893	3.9
91.03965	2.2
91.05478	5.1
93.07043	5.5
95.04961	1.4
95.08602	3.5
97.02889	4.5
97.06541	0.8
99.04484	0.9
101.02405	1.7
105.07021	4.4
107.08601	3.0
109.06538	1.0
109.10197	2.1
117.07066	1.2
119.08607	2.2
121.10169	1.4
127.03931	1.6
129.05522	0.8
129.06998	0.6
131.08546	1.2
133.10101	2.9
135.08101	0.6
135.11719	0.6
143.08508	0.8
145.10191	0.8
147.11720	1.2
151.11229	0.6
157.10117	0.6
171.11667	0.7
171.83919	0.5
173.13274	0.6
175.11229	0.7
175.14928	0.8
185.04274	1.2
193.12502	0.7
243.08412	3.6
259.20782	0.6
273.18469	0.6
294.85989	0.5
301.09079	1.9
313.09146	0.6
313.17819	1.5
315.10394	1.2
317.21030	0.5
331.18793	3.6
336.93823	0.6
355.13800	0.8
357.15335	0.9
373.11014	0.7
451.19464	1.5
465.21057	0.6
531.25977	2.2
535.28784	9.8
549.26563	3.5
607.31140	0.7
745.41119	2.2
825.47626	11.0
843.48572	100.0
844.49146	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	843.4856
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	3.5
66.34393	0.3
67.05502	4.8
69.03427	2.8
69.07071	1.3
71.04993	0.8
72.08154	0.8
73.02911	2.9
79.05495	3.9
80.17315	0.4
81.03426	1.2
81.07047	3.4
83.04991	0.6
83.08598	0.5
85.02896	3.7
85.06535	1.0
91.03960	2.2
91.05475	4.3
93.07034	4.7
95.04968	3.0
95.08618	2.0
97.02873	2.7
97.06582	0.4
98.69035	0.4
99.04478	0.5
101.02389	1.6
105.07021	3.3
107.04945	0.4
107.08583	2.2
108.84168	0.4
109.06520	1.9
109.10156	0.9
113.05999	2.8
117.07034	0.9
119.08572	2.6
121.06536	0.4
121.10159	1.5
127.03873	0.5
129.07025	0.6
131.08595	1.2
133.10068	1.9
135.08139	0.8
135.11731	1.2
143.08618	0.6
145.10129	0.9
147.11699	1.1
149.13239	0.7
157.10126	0.5
159.11696	0.7
161.13226	0.7
165.42188	0.4
167.74001	0.4
185.04228	1.0
205.35196	0.4
241.06973	0.6
243.08405	3.3
257.05896	0.4
259.07813	0.5
291.19403	0.5
301.09018	0.8
315.10519	0.5
331.18689	5.1
334.27762	0.4
349.18527	0.5
371.17068	0.5
373.23618	0.5
387.21487	1.0
465.21066	0.9
495.21817	0.8
535.28784	6.3
549.26788	9.2
621.29230	1.4
843.48541	100.0
844.48816	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	843.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	6.8
67.05509	4.8
69.03419	5.0
69.07072	1.3
69.45202	5.4
71.01353	0.9
71.04972	0.8
73.02906	4.9
75.04448	0.6
79.05492	2.0
81.03413	5.9
81.07055	4.6
83.04985	1.6
83.08618	1.6
85.02900	9.8
91.03944	4.9
91.05478	3.5
93.07040	4.2
95.04984	2.0
95.08611	1.8
97.02883	7.7
97.06499	1.4
99.04430	1.4
101.02397	2.4
103.03951	1.0
105.07022	3.1
106.35833	0.6
107.04989	0.8
107.08594	2.0
109.02820	0.9
109.10162	0.7
111.08087	1.3
117.07000	0.9
119.08590	1.9
121.10137	1.3
127.03915	2.6
129.07002	1.1
131.08594	1.1
133.10127	1.5
135.11661	0.9
137.07080	0.6
145.04977	1.3
145.10182	0.9
147.11717	0.9
149.09608	1.1
149.13306	1.2
157.10085	0.9
161.44720	0.6
170.99480	0.7
175.11177	1.3
185.04266	1.4
193.12292	2.0
195.13910	0.7
211.13374	1.1
235.13115	1.4
243.08401	3.3
251.11566	0.6
251.46980	0.6
269.12549	1.1
271.14035	0.8
286.63544	0.7
307.15280	0.7
347.09521	3.2
365.10516	1.5
398.60999	0.6
405.13718	6.8
441.69019	0.6
453.20969	7.6
469.20532	10.9
615.26099	5.5
631.25781	7.3
681.34448	3.2
715.41687	0.7
843.39783	100.0
844.39960	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	843.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
61.84092	0.3
71.59790	0.5
71.67451	0.4
71.95242	0.6
74.97634	0.5
84.96037	2.8
91.05457	1.8
97.96774	1.3
98.97541	1.2
101.02563	0.4
115.97813	1.3
116.98582	1.1
119.04944	2.8
121.79176	0.3
123.04385	0.4
128.98587	0.6
133.98846	0.8
134.99675	0.6
146.99652	0.6
147.04407	11.9
148.04716	0.8
175.00519	0.5
181.01677	0.6
183.03215	1.2
187.02753	0.5
193.01727	12.3
195.03276	1.8
197.01259	2.0
201.04355	2.7
203.00229	2.9
203.02240	1.5
205.01726	2.4
206.99763	0.7
207.03371	0.5
209.01192	1.3
211.02783	23.7
212.03209	0.4
213.04375	4.9
215.02240	0.6
221.01193	8.8
221.03249	0.7
222.01891	1.3
223.02794	4.9
229.03822	1.6
231.05667	0.6
234.04324	1.3
234.60298	0.4
239.02261	68.5
240.02594	0.6
241.03801	1.8
244.02707	0.7
245.01228	0.9
249.00470	0.4
249.05876	0.6
251.02296	3.9
253.05508	0.6
257.03326	81.7
258.03638	1.4
259.03824	0.7
262.03940	3.5
263.02252	2.6
267.06924	12.0
269.03293	7.7
271.06265	0.5
275.04367	1.8
280.05014	2.5
285.07993	7.5
287.04263	3.2
299.05899	1.7
303.09430	0.5
308.09711	0.6
311.05865	8.1
317.06998	0.5
321.04312	3.7
325.03827	3.6
329.06952	21.5
339.05411	28.9
340.05673	0.7
341.06982	1.1
343.04913	27.9
347.08130	1.6
351.05350	2.5
352.08560	1.7
353.07141	0.6
355.04803	0.7
357.06448	26.5
358.06866	0.7
361.05908	3.5
362.06937	0.9
365.03210	3.2
366.06494	1.9
367.04922	1.5
369.06454	13.1
373.06030	1.2
379.04880	9.9
380.08038	1.5
383.04382	35.8
384.04556	0.8
385.05939	12.0
387.07407	4.5
392.07999	0.9
397.05954	28.8
401.05444	19.7
403.07089	3.4
406.06076	3.5
408.07477	1.8
415.06741	2.4
420.07712	2.5
424.07025	0.8
425.08139	0.5
441.04868	13.5
459.05981	100.0
460.06430	2.1
477.06989	1.7
482.07452	4.6
500.08652	0.8
531.09149	0.6
677.13556	0.8
697.09979	0.5
753.14435	1.9
767.13263	2.7
767.25708	0.4
825.13660	1.0
843.14532	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	842.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82458	2.8
61.02911	8.1
62.47897	2.7
65.03934	5.7
66.38462	2.6
66.59996	2.6
67.05497	100.0
67.35244	2.4
69.03429	7.6
69.07054	29.5
71.04990	3.5
71.08624	6.4
71.59740	3.5
72.08150	4.5
79.05482	65.7
81.03417	7.5
81.07050	90.1
83.04965	7.6
83.08604	25.2
85.02901	9.2
85.10191	3.3
91.03971	4.7
91.05474	46.5
93.07033	63.9
95.04975	11.1
95.08602	53.6
97.02885	6.7
97.06524	9.0
97.10156	21.3
105.07042	34.8
107.04967	5.2
107.08583	43.2
109.06476	3.9
109.10148	49.3
111.08045	5.6
117.07016	14.5
119.08580	28.7
121.06475	4.1
121.10131	27.6
123.08071	4.0
123.11705	7.2
125.09614	20.2
129.07001	4.2
131.08536	19.8
133.10118	21.2
135.11670	15.5
137.09561	3.7
143.08612	5.0
145.10129	16.3
147.11678	16.6
149.09619	6.2
149.13278	9.7
151.11201	3.1
155.08586	2.9
159.11681	9.7
161.13248	5.6
163.11125	4.8
171.11740	4.7
173.11746	7.3
173.13321	8.0
177.12839	4.2
187.15007	4.3
189.11244	14.6
227.12779	34.4
229.14267	23.5
243.08392	3.3
243.21095	4.5
245.13843	29.8
259.20651	6.2
261.22174	12.6
269.17432	11.6
275.20093	25.9
313.27319	21.0
333.24347	4.9
335.25778	94.2
349.23633	17.3
367.24783	13.0
380.22287	3.1
483.36618	19.3
489.35684	30.5
527.37183	6.0
529.38739	30.7
609.44867	39.3
627.46106	14.4
842.47278	3.9
843.48700	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05002	2.6
59.71293	1.9
63.24030	1.8
65.03923	2.9
67.05505	77.6
69.03429	7.0
69.07060	28.2
69.35986	3.6
69.36395	17.2
71.04987	5.5
72.08157	2.6
79.05494	62.8
81.03413	7.9
81.07056	100.0
82.84966	1.8
83.04984	10.9
83.08613	19.8
85.02906	6.6
85.06527	5.5
90.15347	2.1
91.05480	38.8
93.07043	65.3
95.04963	23.9
95.08601	49.3
97.02900	3.4
97.06517	15.6
97.10162	30.4
99.08056	2.4
105.07038	32.2
107.04954	10.5
107.08590	36.3
107.09297	3.2
109.06525	10.3
109.10146	22.9
109.40077	1.8
111.04457	13.6
111.08092	6.8
117.07036	17.0
119.08577	26.8
121.06512	9.9
121.10140	22.5
123.04435	1.9
123.08068	24.7
123.11738	4.7
125.09632	25.6
129.06990	6.7
130.07817	2.2
131.08574	21.6
133.06511	4.1
133.10115	18.9
135.08076	8.7
135.11713	16.0
137.09645	6.2
139.11194	2.5
141.06984	2.6
143.08580	6.3
144.17778	1.8
145.06537	3.4
145.10110	18.6
147.08046	12.8
147.11655	9.4
149.09647	7.2
149.13275	7.8
151.07507	2.0
151.11072	2.4
153.09082	5.3
153.12732	5.5
155.08562	3.4
157.10127	5.8
159.11713	7.8
161.09636	5.0
161.13326	3.8
163.11186	15.0
165.09116	5.7
171.10271	2.7
171.11664	4.7
173.09590	3.0
173.13234	6.4
175.11215	6.1
177.12791	3.8
181.12228	8.3
185.13300	2.4
188.69234	2.3
189.11217	23.4
191.10735	6.6
193.12221	3.0
223.13292	4.2
227.12791	18.6
227.17874	2.3
245.19083	4.4
255.17413	3.5
259.20663	2.5
261.22195	7.6
273.18478	35.2
283.15439	2.8
289.18228	3.1
291.19522	81.0
309.20508	15.5
335.25797	91.6
347.22238	7.3
365.23230	36.2
383.24255	25.7
597.44965	2.2
607.43951	4.5
625.44653	41.4
643.45624	39.5
761.53735	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	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.3
67.05502	54.4
69.03429	4.0
69.07058	17.1
69.40425	2.4
69.40832	7.5
71.04984	3.4
72.08166	1.5
73.06526	1.2
79.05490	48.0
81.03425	7.7
81.07053	77.6
83.04977	9.0
83.08616	12.1
85.02906	3.7
85.06561	1.6
86.41010	1.1
91.05474	24.8
93.07040	44.7
95.04967	16.0
95.08606	35.1
97.06527	7.5
97.10164	17.0
99.04427	1.5
99.08077	2.4
105.07024	21.6
107.04981	7.0
107.08589	26.2
109.06498	6.7
109.10148	16.7
111.04436	9.4
111.08081	6.1
114.68921	1.1
117.07029	11.8
117.26985	1.1
119.08573	19.3
121.06499	4.2
121.10132	17.9
123.08060	14.6
123.11694	3.4
125.05988	1.3
125.09614	13.4
128.06190	1.5
129.07011	4.6
131.08556	12.5
133.06517	3.4
133.10126	13.5
135.08008	5.7
135.11690	14.6
137.09631	4.3
139.11174	1.9
143.08568	4.1
145.10117	12.1
147.08051	6.6
147.11679	6.1
149.09625	5.7
149.13240	5.4
151.11191	1.7
153.09100	2.3
153.12711	3.1
155.08566	3.0
157.10139	5.3
159.08160	1.2
159.11691	5.8
161.09654	6.2
161.13284	3.4
163.11188	11.3
165.09148	3.5
169.10146	2.0
171.08058	1.3
171.10246	1.7
171.11751	3.7
173.13266	4.8
175.11241	3.4
175.14902	2.1
177.12825	1.7
179.82188	1.1
181.12242	3.8
185.13268	2.3
189.11234	13.6
189.12749	2.3
191.10707	2.7
193.12262	3.6
209.11681	1.5
223.13210	3.0
227.12729	12.1
227.18059	1.5
245.18869	2.7
255.17314	3.4
259.20596	1.4
261.22116	5.6
273.18515	24.6
275.20108	2.8
283.15057	2.8
291.19525	47.7
293.20932	1.6
309.20569	8.0
317.24921	1.5
333.23990	1.9
335.25778	100.0
347.22183	4.6
349.23862	1.3
365.23233	26.3
383.24249	14.0
471.03320	1.3
505.34903	1.6
551.40497	1.8
607.43732	2.8
625.44550	34.8
643.35608	2.0
643.45673	31.0
784.35168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96759	2.8
61.97250	2.9
65.03912	6.8
67.05171	5.9
67.05501	91.5
69.03420	5.9
69.06760	3.4
69.07062	34.0
71.01334	3.4
71.04981	6.2
71.59685	3.7
72.08135	4.4
72.99937	2.6
79.05483	81.1
81.03393	9.0
81.07051	92.5
83.04972	10.5
83.08608	20.4
85.02869	3.4
85.06539	6.9
91.05473	87.5
93.07035	86.1
95.04947	32.7
95.08607	56.9
97.02867	7.2
97.06514	10.2
97.10132	8.4
97.70307	2.9
103.05372	3.3
105.07026	100.0
107.04961	6.4
107.08589	63.3
109.06506	6.7
109.10126	22.6
111.04465	3.1
111.08075	5.3
113.09664	3.3
115.05443	5.8
117.06998	37.6
119.07776	5.9
119.08572	69.3
121.06481	4.2
121.10129	38.8
123.08066	8.6
123.11703	9.0
125.09626	8.2
128.06184	7.3
129.07019	19.8
130.07829	3.2
131.08559	46.2
133.10120	52.0
135.08047	7.5
135.11682	29.7
137.09563	3.7
141.06961	5.9
142.07784	3.6
143.08548	20.4
145.06483	3.7
145.10089	43.8
147.08075	4.2
147.11684	44.5
149.09576	17.7
149.13260	10.5
151.11160	5.0
155.08517	10.3
157.10168	17.7
159.11688	35.6
161.09624	3.5
161.13232	22.5
163.11151	11.6
165.12769	4.4
169.10109	13.8
171.11668	19.7
173.13261	16.1
175.11273	3.6
175.14795	9.9
177.12785	4.3
181.10075	7.2
183.11717	11.4
185.13341	14.4
187.14717	6.8
189.11223	4.7
189.12770	3.9
193.10036	3.5
195.11705	9.2
197.13281	8.5
199.14824	11.0
201.16336	3.8
205.12204	5.3
207.11530	3.7
209.13327	4.6
211.14941	5.5
213.16365	4.0
223.13200	6.9
227.12660	3.5
241.19583	19.5
255.15866	9.4
257.19037	7.7
259.20593	60.1
269.17438	13.1
275.20084	45.4
276.81543	4.0
293.21140	6.5
309.18457	3.3
315.23196	11.1
333.24191	68.7
335.25720	5.0
349.23911	17.4
359.33743	3.4
365.28308	3.5
367.24762	13.3
374.81851	3.1
422.03860	3.2
427.43906	3.5
435.32187	5.9
499.34277	3.7
513.35626	23.4
527.37384	31.1
545.37939	6.1
607.43451	33.7
625.44635	57.0
840.46326	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	4.0
65.03928	4.4
67.05503	90.5
69.03429	10.0
69.07063	39.4
69.39093	20.7
71.04977	6.9
78.44717	2.2
79.05490	88.2
79.22928	2.0
80.00936	1.9
81.03417	13.5
81.07056	100.0
83.04971	12.1
83.08614	21.8
85.02902	6.0
85.06534	5.0
91.03973	2.4
91.05477	92.6
93.07041	85.7
95.04954	16.3
95.08602	66.1
97.02898	7.5
97.06505	13.0
97.10165	8.2
98.20703	4.0
103.05426	2.7
105.07026	84.7
107.04935	9.0
107.08591	49.4
109.02849	2.6
109.06507	7.6
109.10149	20.7
111.08057	7.7
115.05442	3.4
117.07014	37.5
119.08577	59.5
121.06494	5.0
121.10131	33.1
123.08080	6.0
123.11709	5.5
125.09597	7.4
127.03851	2.6
128.06216	8.4
129.05481	3.8
129.07007	24.9
130.07758	5.1
131.08554	42.1
133.06448	3.3
133.10126	52.4
135.07994	6.8
135.11684	31.6
137.09604	2.8
141.06970	6.6
142.07780	3.6
143.08531	22.6
145.06439	4.2
145.10135	40.4
147.08023	2.7
147.11684	35.9
149.09607	10.9
149.13255	15.6
151.11186	4.4
155.08563	9.4
156.09262	2.6
157.10143	23.8
159.11662	30.0
161.09663	3.3
161.13245	21.5
163.11189	11.1
163.14795	3.1
165.12758	2.9
167.08588	5.1
169.10121	14.5
171.11700	17.8
173.04269	2.1
173.09561	2.4
173.13219	16.6
175.11276	2.9
175.14778	7.9
177.09067	2.3
177.12735	4.9
179.14400	2.9
181.10080	8.1
183.11693	11.6
185.13235	15.1
187.14789	7.3
189.12743	3.0
195.11693	8.9
195.13776	5.0
197.13245	11.7
199.14793	6.6
201.16313	3.1
207.11723	5.3
209.13266	5.6
211.14838	5.4
213.12762	2.4
213.16460	4.2
219.11780	2.6
219.13799	2.2
221.13228	4.9
223.14743	3.9
225.16411	3.5
231.17470	2.9
231.20911	3.3
232.10178	2.0
235.14799	3.6
239.18005	4.0
241.19560	14.7
255.15875	14.8
257.18954	6.0
259.20538	42.2
269.17401	18.2
275.20117	21.0
277.21649	2.9
297.22180	3.6
313.21585	3.1
315.23160	7.2
333.24231	50.3
335.25769	2.5
338.26074	2.1
347.22137	3.1
349.23654	13.2
354.19171	2.5
367.25058	3.5
403.29404	2.7
421.31104	4.2
433.30566	3.4
435.32382	6.4
453.33820	3.4
469.32568	2.7
471.34677	3.0
501.35779	2.8
509.36404	6.3
513.35645	25.8
515.37775	6.6
525.35706	3.2
527.37323	46.1
531.36975	4.0
533.40167	4.7
545.38123	8.0
607.43646	32.5
625.44653	25.2
769.48462	2.4
778.96869	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	840.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	1.6
65.03931	3.2
67.05499	61.9
69.03410	3.9
69.06718	2.8
69.07066	30.6
69.07423	1.5
71.04978	4.2
72.08152	4.3
79.05486	59.1
80.05837	1.7
81.03361	2.9
81.07050	100.0
83.04972	8.1
83.08618	15.1
85.02892	2.0
85.06531	5.3
91.05470	59.2
92.91566	1.7
93.07037	57.4
95.04961	11.6
95.08042	2.9
95.08600	35.5
97.02869	3.3
97.06508	7.8
97.10144	5.5
98.21503	4.2
99.08099	2.7
103.05376	1.7
105.07021	62.2
106.07358	1.8
107.04932	8.2
107.08585	30.9
109.02911	1.9
109.06498	21.1
109.10143	17.2
111.08052	5.2
117.07012	17.9
119.08569	51.0
121.06484	4.8
121.10136	27.6
123.08066	7.7
123.11664	8.8
125.09599	4.3
129.06972	9.4
131.08548	27.4
133.06451	1.8
133.10123	42.3
135.08055	4.8
135.11682	17.1
137.09615	6.0
141.06935	2.9
142.07820	3.1
143.08578	8.8
145.10101	26.1
147.08087	2.9
147.11673	41.2
149.09596	8.7
149.13254	11.8
151.11153	2.5
155.08536	3.0
157.10130	10.7
159.11679	17.6
161.09618	3.4
161.13206	17.6
163.11154	8.6
163.14859	3.2
165.12749	4.7
169.10103	4.5
171.11673	12.1
173.09645	2.3
173.13258	10.7
175.11137	3.9
175.14844	6.2
177.12689	3.2
179.14372	3.5
183.11708	4.2
185.13246	5.9
187.14796	5.3
193.12155	3.1
197.04283	1.8
199.14810	5.7
201.12706	2.6
213.16344	2.1
215.17921	2.3
228.09967	1.8
229.19455	3.0
231.21037	5.3
239.18167	2.5
241.19534	20.4
247.20586	4.6
257.18933	10.6
259.20538	53.5
267.15646	2.2
272.60983	1.8
275.20038	48.9
276.20413	3.7
277.21542	3.5
291.19562	3.5
293.21103	17.8
315.23126	7.0
333.24200	86.8
334.24374	2.5
335.25711	6.7
349.23669	11.5
351.25412	8.0
365.23361	3.6
367.24768	45.9
462.66528	2.0
501.35577	2.4
515.38855	1.9
527.37085	2.2
533.39612	6.2
537.49072	2.0
544.36920	2.6
545.37445	3.4
551.40540	5.3
607.43579	17.4
625.44525	45.0
643.45172	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	839.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87560	0.3
61.02924	6.1
66.98289	0.3
67.05498	4.9
69.03422	3.6
69.07070	1.3
69.26608	1.5
69.27032	2.1
71.01344	0.7
71.04987	0.7
73.02909	3.9
76.70332	0.3
79.05494	3.7
81.03411	2.2
81.07053	5.6
81.07516	0.4
83.04981	0.9
83.08620	1.1
85.02901	5.9
87.04466	0.5
91.03956	3.5
91.05476	3.7
93.07029	5.1
95.04978	1.3
95.08602	2.1
97.02883	5.4
97.06522	0.5
98.87109	0.3
99.04456	1.0
101.02361	2.1
105.07007	1.7
107.04900	0.3
107.08585	2.3
109.02872	1.3
109.06448	0.4
109.10131	0.4
111.08084	0.4
115.03942	0.4
117.07015	0.6
119.08578	1.1
121.10136	0.8
127.03935	2.0
128.45465	0.3
129.06984	0.7
131.08528	0.8
133.10132	1.1
143.08565	0.4
145.04999	0.4
145.10120	0.7
147.11714	1.3
149.13229	2.0
153.48073	0.3
159.11751	0.5
161.09624	0.3
161.13239	0.5
171.11728	1.6
177.12926	0.3
185.04253	0.8
189.12808	0.4
195.13942	0.5
196.14194	0.3
203.05341	0.9
207.13841	0.7
211.87740	0.3
234.85304	0.3
235.13135	1.0
243.08429	2.1
247.13217	1.3
265.12936	0.6
269.10956	0.3
269.17535	0.5
271.13901	0.7
281.17593	0.9
282.01529	0.4
283.14160	0.5
291.15958	0.5
291.19797	0.4
303.15729	1.0
347.09393	2.2
363.08994	0.6
365.10648	0.9
405.13678	5.8
428.19019	0.7
428.69254	0.4
430.68814	0.8
453.20886	9.0
465.20956	7.9
471.20706	0.3
533.75214	0.4
615.26044	7.6
627.26215	6.2
677.34998	2.5
811.54993	0.5
839.40259	100.0
840.40466	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	838.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29916	1.5
61.02911	2.2
65.03936	3.4
67.05502	82.1
69.03414	6.1
69.07062	27.7
71.04980	6.7
72.08158	2.3
79.05492	64.4
81.03416	8.6
81.06571	4.2
81.07053	81.4
83.04971	10.7
83.08607	13.1
85.02895	2.8
85.06524	6.2
87.04514	2.1
90.01122	1.8
91.05478	98.3
93.06465	4.2
93.07043	76.1
93.57241	1.6
95.04967	18.4
95.08608	44.1
97.06522	7.9
97.10149	5.8
98.21561	3.0
99.08097	2.9
103.05473	2.3
105.04487	2.2
105.07027	100.0
107.04954	10.4
107.08590	48.6
109.06511	9.6
109.10151	56.8
109.10909	2.2
111.04435	2.5
111.08057	5.3
113.05995	3.7
115.05410	3.0
117.07012	19.8
119.08578	52.2
121.06518	6.5
121.10130	21.0
123.04459	1.8
123.08051	5.8
123.11720	13.7
125.09689	2.8
127.07548	4.0
128.06207	5.4
129.06995	12.8
130.07788	3.0
131.08554	32.5
133.06432	3.4
133.10127	91.9
135.08037	7.2
135.11693	14.9
137.09566	3.0
141.06937	3.9
142.07840	2.1
143.08566	14.1
144.09291	1.8
145.10109	27.8
147.08020	4.6
147.11691	33.1
149.09602	6.4
149.13235	8.7
151.11183	30.5
155.08514	5.7
157.10149	14.5
159.11694	17.8
161.09572	7.0
161.13266	20.5
163.11244	3.3
165.12775	2.2
167.08603	3.0
169.10120	4.9
169.12285	4.5
171.11679	17.3
173.13287	10.2
175.11191	4.5
175.14803	6.1
177.12753	2.2
179.10631	1.8
181.10120	2.7
183.11554	2.2
185.13245	11.1
187.14780	5.4
195.11757	2.3
197.13232	2.4
199.14766	5.9
209.13324	2.2
211.14832	2.3
213.16397	2.1
215.12874	3.8
225.16585	2.0
227.17845	2.2
229.16014	2.3
231.21140	5.1
241.19551	18.8
245.19052	3.2
253.14339	76.1
257.18958	5.3
259.20569	51.4
261.18573	2.2
263.20123	4.1
271.15482	3.0
273.18558	15.0
275.20081	6.5
291.19666	14.9
315.23291	7.4
333.24222	50.0
335.25842	2.3
347.22192	4.2
349.23846	2.4
353.28391	2.8
363.21643	2.8
365.23260	27.7
409.30975	3.8
437.30450	5.7
455.31342	3.6
501.35959	4.4
504.37891	2.7
511.34232	13.1
513.37170	3.0
529.35223	20.6
531.38605	4.5
549.39191	4.3
605.41882	6.5
623.43005	39.7
641.43726	6.8
746.12842	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	838.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
63.46970	2.4
65.03931	5.4
67.05500	80.6
69.03407	10.4
69.07059	59.4
71.04986	6.3
71.08619	2.8
71.59415	5.0
72.08152	88.8
79.05489	69.9
81.03424	15.6
81.07051	90.4
81.21389	2.5
83.04976	13.8
83.08611	18.7
85.06539	4.1
87.04454	8.6
91.05473	91.3
93.07034	73.7
95.01334	9.2
95.04958	23.6
95.08599	54.5
97.02867	5.4
97.06522	29.2
97.10161	15.3
97.10676	2.7
99.08091	5.6
103.88003	2.9
105.07027	100.0
107.04950	20.9
107.08579	46.4
109.06519	12.1
109.10167	23.1
115.05399	3.2
117.07016	30.8
119.08575	61.6
121.06487	7.5
121.10128	20.6
123.08060	9.8
123.11696	4.3
125.09642	16.1
128.06198	4.5
129.07005	13.3
131.08553	38.6
133.06485	4.0
133.10120	68.4
135.08067	9.7
135.11687	14.9
137.09624	5.2
141.06975	4.2
143.08522	12.5
145.06494	4.1
145.10117	32.0
147.08076	4.0
147.11678	29.3
149.09584	11.6
149.13260	10.7
149.44589	3.1
151.11134	4.6
155.08591	7.9
157.10098	10.7
159.11664	22.7
161.09625	4.6
161.13235	17.0
163.11125	5.8
165.09041	4.9
169.10120	7.5
171.11667	10.8
171.35497	2.7
173.13239	12.7
175.14799	5.9
177.12749	4.7
179.14301	9.9
183.11705	7.5
185.13258	5.1
187.11127	4.8
187.14919	4.3
189.11143	4.5
195.13771	3.9
197.13329	4.5
199.14780	3.1
210.07494	2.6
223.13274	6.1
227.12794	8.7
229.14235	3.8
229.19611	3.1
239.17876	3.5
241.19560	9.5
247.20609	3.7
253.14413	3.3
257.18961	12.0
259.20609	17.9
269.17514	11.0
273.18384	7.3
275.20038	86.4
284.80527	2.7
291.19507	58.6
293.21063	6.4
315.23077	5.6
333.24203	15.4
349.23724	49.2
349.27591	4.8
365.23199	18.9
367.24918	2.8
441.17834	3.1
525.35919	3.8
529.35236	19.3
543.36835	95.6
544.37219	4.4
605.41730	3.7
623.42981	48.4
641.44342	9.2
820.50305	9.7
838.50958	6.4
839.44562	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37368	1.8
61.02906	2.0
65.03941	4.3
67.05501	83.2
69.03426	11.1
69.06713	3.5
69.07066	50.6
69.66810	1.6
71.04980	7.2
71.08591	2.4
72.08144	12.2
77.03936	2.8
79.05488	74.6
81.03411	11.8
81.07052	78.9
83.04986	11.5
83.08608	21.6
85.02936	3.0
85.06520	3.0
87.04440	5.5
91.05474	87.8
93.07037	73.8
93.07625	3.8
95.01325	2.8
95.04958	21.7
95.08601	48.4
97.02866	11.7
97.06515	15.3
97.10157	23.7
103.05490	3.1
105.07024	90.0
107.04964	11.6
107.08585	44.1
108.58833	2.0
109.06517	10.1
109.10150	21.8
111.04440	2.0
111.08105	5.5
115.05474	4.8
116.06183	1.8
117.07011	31.1
119.08575	69.4
121.06517	7.1
121.10132	23.8
123.08076	7.9
123.11703	4.9
125.09628	14.5
128.06204	4.0
129.06998	20.0
130.07806	2.0
131.08560	38.3
133.06502	5.1
133.10118	54.2
133.11073	3.5
135.08069	9.5
135.11690	18.6
137.09624	5.9
141.06955	5.2
142.07761	2.7
143.08542	13.8
145.06503	2.9
145.10118	31.0
147.08044	7.3
147.11681	35.7
149.09608	8.6
149.13261	9.7
151.11180	2.2
153.09016	2.4
155.08556	6.6
157.10114	17.9
159.11696	25.0
161.09656	5.0
161.13248	20.2
163.11154	3.7
163.14905	2.1
165.09088	2.3
167.08551	2.9
169.10117	8.2
171.11697	14.2
173.13242	10.3
175.11217	5.3
175.14856	9.5
177.12769	3.2
179.14253	4.2
181.10089	3.1
183.11691	4.6
185.13326	9.2
187.11197	3.3
187.14856	4.9
189.11195	11.4
191.14368	1.9
193.10307	1.8
193.12242	3.3
195.11816	3.5
195.13832	2.9
197.13266	4.0
199.14870	6.1
205.12201	2.3
207.14040	2.0
209.13205	2.8
211.14841	2.8
213.16400	5.2
223.13182	19.8
225.16316	2.4
227.12677	9.4
229.19424	2.5
231.20900	3.6
235.14890	2.4
239.17981	4.6
241.19495	17.3
244.25142	2.1
247.20628	2.5
249.14783	3.3
257.18991	5.3
259.20569	43.8
273.18500	11.6
275.20068	39.2
291.19498	100.0
299.23410	2.3
301.21658	1.8
309.36353	2.1
315.23160	10.3
331.22858	2.8
333.24225	49.0
343.22873	2.0
349.23779	25.6
365.23199	35.0
367.24609	6.2
379.29892	5.4
402.18094	2.1
411.29501	1.9
513.36267	2.3
525.35620	12.7
529.35254	5.3
531.38092	3.1
543.36853	25.5
549.39587	2.7
605.41748	7.6
610.86218	2.2
623.42981	71.4
624.43256	3.7
641.44196	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	5.2
65.03936	3.7
67.05502	85.6
67.05868	4.2
69.03432	9.1
69.07068	15.8
71.04985	7.2
71.59064	2.7
76.37199	2.5
77.10912	2.6
79.05490	34.5
81.03413	100.0
81.07051	45.8
83.04980	15.6
83.08622	31.6
85.02908	9.7
85.06549	3.7
91.03934	2.6
91.05460	31.2
93.07043	30.9
95.04977	30.6
95.08604	19.3
97.02873	5.3
97.06541	8.0
97.10142	15.1
105.07035	22.2
107.04958	15.5
107.08594	15.9
109.02844	3.7
109.06522	11.0
109.10159	54.0
111.04445	5.3
111.08080	10.5
117.07004	8.0
119.08557	17.8
121.06478	5.1
121.10146	10.2
123.08088	3.9
125.09634	11.5
129.05473	3.8
129.06993	11.6
131.08568	12.4
133.06442	4.0
133.10133	10.8
135.08038	4.0
135.11736	5.2
137.06026	2.9
137.09618	5.3
142.07805	3.6
143.08578	5.1
145.06493	3.0
145.10129	10.3
147.04440	5.2
147.08055	4.7
147.11685	9.0
149.02339	3.5
149.05960	2.9
149.09607	7.4
153.12750	5.9
157.10149	9.2
161.09653	2.9
163.11188	11.4
173.09804	3.0
173.11754	13.8
175.11180	10.7
177.12781	3.9
181.12234	3.9
189.11185	6.4
191.10658	3.3
193.12231	28.5
199.13341	3.7
205.12297	2.7
209.11745	7.9
211.13326	8.2
219.13881	5.9
227.12755	16.5
229.14352	35.4
249.14964	5.5
259.13278	4.9
267.15909	78.5
273.18527	4.9
283.15344	9.8
301.16544	5.5
309.16669	3.2
367.22925	3.9
383.22281	6.5
385.23672	4.9
399.23688	13.5
401.23236	8.5
403.72668	2.8
421.25836	21.6
454.96625	2.8
458.26663	11.9
459.27274	6.9
475.26898	10.1
476.27670	11.4
493.27933	10.8
511.29462	3.2
511.59714	2.8
518.32477	4.7
577.13306	2.7
591.35138	8.7
692.18829	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	838.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	7.3
61.68430	0.4
65.03928	2.0
67.05502	41.2
68.05833	0.5
69.03426	3.9
69.06713	1.0
69.07066	13.7
69.07449	0.7
70.15112	2.2
70.70903	0.5
71.01331	0.7
71.04989	5.0
73.02911	3.5
74.34359	0.5
77.03942	0.5
79.05489	33.1
81.03413	47.1
81.07051	55.0
83.04977	11.5
83.08611	21.7
85.02901	21.0
85.06531	3.4
87.04480	0.5
88.10197	0.5
91.03953	5.3
91.05476	27.5
91.19952	0.4
93.07040	37.2
95.04967	18.8
95.08598	13.0
97.02885	6.6
97.06525	7.3
97.10159	3.8
98.20757	0.6
99.04474	1.0
99.08084	3.0
105.07024	17.0
107.04948	5.0
107.08591	20.5
109.06486	4.6
109.10146	3.9
111.04454	1.6
111.08076	11.0
113.06020	1.7
115.05463	1.9
117.07005	4.5
117.13274	0.5
119.04958	0.6
119.08573	14.4
121.06528	2.1
121.10133	15.3
123.08067	2.1
123.11687	2.7
125.05971	0.6
125.09663	1.5
125.90719	0.5
127.03907	2.5
129.07004	7.1
131.08565	12.7
133.06512	1.7
133.10127	12.3
135.08022	1.2
135.11668	4.5
137.09624	1.4
139.07574	0.6
139.11177	1.1
142.07797	1.7
145.04976	1.5
145.10123	1.3
147.08028	2.6
147.11684	11.0
149.09596	5.0
149.13249	16.7
151.11113	0.7
157.10139	10.5
159.11700	6.9
163.06044	1.7
163.11140	0.9
165.12767	2.0
175.11177	10.6
177.12735	3.1
193.12233	29.4
194.12531	0.8
195.13806	6.2
211.13278	38.0
213.14816	0.7
249.14780	1.0
267.15897	29.6
268.16525	0.8
269.17462	57.4
270.17865	1.1
285.16943	29.9
435.27524	2.6
443.27643	1.2
461.28967	76.2
462.29437	2.9
479.30023	100.0
480.30255	3.3
525.71344	0.6
621.59698	0.8
623.34381	2.6
649.78943	0.6
658.30756	0.7
795.13147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.4838
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	2.3
65.03944	5.1
67.05504	52.3
69.03433	8.0
69.07066	16.3
71.04983	4.8
71.59165	1.2
71.59538	1.6
72.08142	3.0
72.65747	1.3
73.02917	1.7
78.17403	1.3
79.05495	33.2
81.03415	18.1
81.03851	2.0
81.07062	32.2
83.04984	6.8
83.08631	8.2
85.02903	5.4
85.06535	8.9
91.04019	1.5
91.05477	27.7
93.07037	25.0
95.04967	43.5
95.05555	2.8
95.08614	17.2
97.02885	6.1
97.06518	8.0
97.10188	8.9
99.04475	1.9
105.07024	24.1
107.04962	13.2
107.08588	20.7
108.38248	1.2
109.02880	3.8
109.06519	36.8
109.10150	8.6
111.04423	2.2
111.08085	3.3
113.05997	18.8
115.05434	2.5
116.55409	1.5
117.07002	14.9
119.04986	2.4
119.08562	15.2
121.06477	6.8
121.10126	7.6
123.04417	3.2
123.08053	4.6
123.11729	3.9
124.71142	1.3
125.09637	7.9
127.03883	3.4
128.06195	1.9
129.06985	9.2
131.08562	17.4
133.06482	5.1
133.10104	11.4
135.07024	1.1
135.08044	30.8
135.11682	8.1
137.05991	2.3
137.09650	2.9
139.03864	7.4
141.06970	2.3
142.07759	1.8
143.08531	7.7
145.06508	2.6
145.10110	10.2
147.08049	7.6
147.11691	6.7
149.09599	6.7
149.13242	3.2
153.22981	1.3
155.08601	2.2
157.10095	8.1
159.08075	4.8
159.11696	7.9
161.09601	8.6
161.13257	1.9
163.03841	1.4
163.11147	4.6
165.09065	2.3
169.10121	2.8
171.08131	1.6
171.10283	1.7
171.11722	4.1
173.09590	1.8
173.13245	2.4
175.11140	3.5
177.12750	2.6
180.98494	1.4
181.10226	1.4
183.11720	2.6
185.09645	1.8
185.13203	2.2
187.11192	2.5
189.11186	3.8
189.12741	1.9
193.12260	5.7
195.11687	1.4
195.13788	2.9
199.14798	1.8
201.12718	1.5
211.13344	3.6
217.15863	9.3
219.99847	1.4
223.13327	4.6
227.12839	5.7
237.16592	1.4
243.15901	1.9
245.19110	3.1
249.14850	2.6
255.17560	3.2
267.15863	7.5
273.18469	32.0
274.18707	2.1
275.20020	2.8
279.15976	2.7
285.10092	1.7
291.19528	100.0
292.19852	2.6
309.20468	2.5
335.25644	1.7
347.22232	12.5
349.23700	2.0
357.76233	1.7
365.23209	28.1
389.23035	1.6
527.28644	1.5
539.33252	2.2
557.34613	10.6
575.35736	3.3
637.40875	14.1
649.35651	2.0
655.42047	25.8
666.11206	1.8
673.42383	1.7
719.38525	2.1
817.46753	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	834.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.6
65.03925	1.2
67.05498	21.9
68.05814	0.2
69.03413	0.7
69.07061	7.1
70.12517	0.8
71.04983	1.4
73.02907	0.9
73.06551	0.6
77.03915	0.3
79.05483	23.9
81.03410	2.6
81.07048	24.6
83.04972	3.9
83.08609	5.1
85.02888	2.1
85.06538	1.8
87.04453	0.3
91.03949	1.4
91.05472	16.5
93.07032	29.7
94.07363	0.2
95.04353	0.3
95.04956	6.5
95.08595	9.1
97.02876	1.5
97.06516	3.6
97.10139	1.3
98.20774	0.3
99.04395	0.3
99.08082	0.8
103.05421	0.2
105.04513	0.5
105.07017	10.2
107.04942	1.8
107.08579	11.7
109.06516	2.0
109.10155	1.7
111.08070	2.4
113.05975	0.2
113.09612	0.2
115.05427	0.5
116.58193	0.2
117.07004	4.0
118.77054	0.2
119.08569	6.2
121.06496	1.3
121.10126	5.7
121.11009	0.3
123.08048	1.6
123.11654	0.5
125.09550	0.4
127.03886	0.5
127.07536	0.6
128.06209	0.7
129.06989	4.8
130.07779	0.3
131.08554	3.0
133.06503	0.3
133.10112	4.8
135.08067	0.7
135.11678	2.1
139.07512	0.3
139.11195	0.5
141.09055	0.2
142.07748	0.2
143.08537	2.5
145.04951	0.5
145.10100	2.8
147.08035	0.8
147.11673	10.5
149.09663	0.4
149.13245	7.9
151.11192	0.3
156.09348	0.3
157.10226	0.2
159.11673	3.7
161.09644	1.1
161.13234	3.2
163.06006	0.4
163.11154	0.6
171.11674	6.9
177.12750	1.7
179.14299	0.3
189.12717	2.8
195.13754	2.0
207.13770	7.6
213.14809	0.2
225.14819	0.5
263.16382	0.2
269.17453	21.8
281.17441	19.1
282.17972	0.3
288.92831	0.3
341.76129	0.2
413.21677	0.2
457.29562	0.8
475.30490	100.0
476.30710	1.8
598.11493	0.2
619.34698	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	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	7.6
61.87082	0.7
67.05504	7.7
69.03425	4.9
69.07069	2.2
69.90458	0.7
71.04972	0.7
71.51267	1.0
71.51602	1.0
72.08151	1.1
72.80576	0.7
73.02918	5.3
79.05489	5.7
81.03422	2.0
81.07063	9.3
83.08632	1.5
85.02908	6.6
91.03931	3.9
91.05489	3.1
93.07057	5.8
95.08078	1.0
95.08590	5.0
97.02898	6.0
97.06557	1.2
101.02385	2.9
104.00467	0.7
105.07040	1.8
107.08604	2.4
109.02900	0.9
109.10190	1.3
113.78282	0.6
117.06982	0.8
119.08530	1.6
121.10139	2.3
127.03915	2.1
131.08577	1.2
133.10130	0.8
135.11697	1.7
145.05066	0.7
145.10194	1.5
147.11763	0.7
149.13333	0.7
159.11751	1.1
185.04173	0.9
243.08530	3.1
259.56726	0.7
315.01324	0.7
333.20319	5.6
335.26123	0.8
373.73093	0.8
519.29364	10.1
551.28223	3.5
591.30835	0.8
829.50677	100.0
830.50824	8.1
859.75403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49688	1.7
60.47797	1.7
61.02920	4.7
67.05511	5.8
69.03427	4.5
70.19013	9.3
72.08167	4.4
72.99814	1.8
73.02916	3.8
79.05485	3.5
81.03403	5.3
81.07056	8.1
85.02898	4.4
91.03944	3.9
91.05479	4.9
93.07064	5.0
95.04936	2.7
95.08586	4.2
97.02906	3.5
98.21516	2.4
105.07025	2.8
107.08616	3.4
109.10154	2.6
137.70447	1.7
139.25653	2.0
144.15976	2.3
158.83408	2.0
199.15977	2.4
238.55347	2.7
243.08371	2.4
333.20581	5.9
519.29248	5.8
551.28510	3.5
829.50562	100.0
830.50751	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	829.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
60.44828	0.4
61.02922	6.1
67.05501	6.3
69.03419	4.3
69.07069	1.4
69.36637	0.7
69.37045	3.6
71.01347	0.6
71.04970	0.6
72.08141	2.1
73.02911	4.8
79.05486	4.6
81.03416	1.9
81.07057	5.6
83.04983	0.6
83.08616	0.5
85.02897	6.7
87.04456	0.6
91.03944	3.7
91.05463	3.0
93.07041	4.4
95.04978	1.0
95.08598	5.1
97.02881	5.3
97.06546	0.6
99.04449	0.7
101.02357	2.3
105.07019	2.4
107.05011	0.5
107.08606	3.0
109.02898	0.8
109.10172	1.9
117.07024	1.0
118.92458	0.5
119.08640	1.5
121.10143	2.2
123.11684	0.4
127.03894	1.4
131.08572	0.5
133.10104	1.0
135.11696	1.0
138.28462	0.4
145.10129	0.8
148.10905	0.4
149.13272	0.9
159.11670	0.5
166.41028	0.4
181.50037	0.4
185.04236	1.0
203.05243	0.4
243.08401	2.3
333.20380	3.6
335.25882	0.8
439.19272	0.5
453.21039	0.7
519.29218	8.0
520.30005	0.7
551.28320	3.0
606.00397	0.5
622.94244	0.5
731.43274	1.3
829.50610	100.0
830.50812	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	829.485
Annotation	Unknow
Peak:m/z	Relative Intensity
60.06070	6.4
70.81854	14.1
72.02328	5.8
102.57945	7.5
109.72705	6.6
176.21979	8.3
193.92842	7.5
237.35403	6.1
241.89957	7.1
275.29922	7.5
829.48792	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	829.5065
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	5.5
65.03941	0.5
67.05501	5.6
69.03424	2.8
69.07063	2.0
71.05006	0.8
71.08626	0.7
72.08156	2.6
73.02908	3.7
79.05492	7.1
81.03432	1.8
81.07042	5.1
83.04974	0.5
83.08614	1.1
85.02900	5.8
85.03362	0.5
91.03954	3.2
91.05479	6.0
93.07034	7.6
95.04952	1.4
95.08609	3.7
97.02897	5.0
97.06530	0.6
99.04481	1.1
101.02388	1.9
103.03941	0.6
104.82713	0.4
105.07029	4.8
107.08582	3.4
109.02865	1.0
109.10175	1.4
117.07056	1.7
118.29515	0.4
119.08574	3.7
121.10136	2.1
123.04406	0.5
126.77570	0.4
127.03915	1.3
129.05508	1.0
129.07021	0.8
131.08592	1.8
133.10156	2.3
135.11723	1.0
143.08601	0.6
145.04993	0.5
145.10153	1.2
147.11636	2.0
149.13210	0.8
157.10141	0.7
159.11716	0.8
161.13266	0.6
171.11728	0.8
173.13229	0.8
185.04268	1.3
203.05298	0.5
229.36729	0.4
241.06885	0.8
243.08423	3.6
259.20636	1.3
285.10287	0.5
301.08841	2.4
313.27420	0.6
315.10556	1.5
317.20877	1.5
355.13992	0.5
373.11169	0.5
373.23529	0.5
385.18475	0.8
397.18857	0.5
429.17444	0.5
441.18677	0.4
456.06079	0.5
465.21030	1.8
525.23199	1.6
535.28790	15.5
542.39636	0.6
607.31128	1.6
621.32214	0.7
759.43164	0.8
829.50659	100.0
830.50909	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	827.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.7
67.05491	5.8
69.03415	4.4
69.07050	1.1
73.02914	4.3
73.94972	0.7
79.05479	4.3
81.03436	1.8
81.07047	4.1
82.52603	0.6
85.02889	5.2
86.75330	0.7
91.03968	3.2
91.05489	3.1
93.07029	3.8
95.04990	1.6
95.08587	4.2
95.30066	0.7
97.02881	4.0
101.02360	1.9
105.07043	1.9
107.04966	0.8
107.08620	1.9
109.02879	0.7
109.06544	0.8
109.10169	1.1
113.06038	1.9
117.07018	0.9
119.08584	1.7
121.10194	0.9
127.03960	1.7
127.07680	0.6
129.80658	0.7
131.08580	1.6
133.10168	0.8
135.08121	0.7
145.31616	0.7
243.08435	2.9
295.71521	0.8
331.18765	6.2
519.29199	8.3
549.26587	3.7
635.82068	0.7
827.49091	100.0
828.49554	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	829.4552
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	0.7
61.02923	5.5
65.03951	1.0
67.05508	6.6
69.03426	3.7
69.07080	2.7
71.05012	1.4
71.60337	0.7
71.60728	0.8
73.02914	3.8
79.05490	6.3
81.03421	5.6
81.07060	8.1
83.05019	1.4
83.08641	2.3
85.02906	5.8
85.91109	0.6
87.04499	0.9
91.03963	3.1
91.05471	5.0
93.07031	4.8
95.05009	2.8
95.08643	2.4
97.02895	5.3
97.06537	1.2
97.10159	1.5
99.04477	1.3
101.02438	1.6
103.05484	0.9
105.07033	4.6
107.04958	1.4
107.08635	2.7
109.02879	0.7
109.06545	1.5
109.10202	2.7
111.08152	0.9
117.07012	0.6
119.08620	2.6
121.10198	2.3
123.11761	0.9
125.09677	1.3
127.03955	1.9
127.24538	0.9
129.07028	0.9
131.08643	1.6
133.10194	2.0
135.08032	0.9
135.11746	1.2
143.08633	0.7
147.11769	2.4
149.09715	2.3
157.10211	1.4
175.11241	1.4
187.80530	0.7
192.16762	0.6
193.12331	2.6
237.91393	0.8
243.08424	4.8
267.16089	1.4
269.17648	0.9
275.20169	0.9
283.15256	4.5
285.10291	1.2
291.19986	0.9
295.15363	0.7
339.17877	0.9
351.21640	1.8
439.19934	0.8
469.20804	1.7
501.23096	13.0
569.29346	9.5
667.40625	0.8
739.39221	1.9
811.40735	0.8
829.45782	100.0
830.45990	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	827.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74187	0.5
59.78720	0.5
61.02929	4.0
67.05495	3.8
69.03435	2.7
69.07068	2.3
71.04929	0.7
72.08152	0.7
73.02908	2.7
77.65163	0.5
79.05475	4.7
81.03423	1.1
81.07053	4.6
83.04975	0.9
83.08624	0.9
85.02890	3.5
91.03976	2.1
91.05486	4.8
93.07033	4.4
95.04978	1.4
95.08618	2.5
97.02914	3.2
97.06528	0.8
99.04497	0.8
101.02386	2.0
105.07025	4.4
106.84536	0.5
107.04951	0.8
107.08575	2.9
109.02905	1.0
109.10175	1.0
115.03940	0.7
117.07041	0.9
118.57117	0.5
119.08581	2.6
121.10188	1.2
124.94793	0.4
127.03931	0.8
131.08582	1.2
133.10110	2.5
135.11691	1.1
145.10179	1.1
147.11720	0.9
149.13249	0.6
159.11613	1.0
177.12808	0.6
185.04243	1.0
229.14403	0.8
243.08432	2.9
301.09091	1.7
315.19208	4.2
317.20978	0.5
341.12210	0.7
355.13721	0.6
371.22070	0.7
373.11273	0.7
465.21240	1.2
468.37531	0.7
495.22342	0.7
533.27155	8.9
535.28821	8.2
573.71405	0.5
605.29089	1.4
827.49078	100.0
828.49280	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	827.491
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	3.9
67.05499	4.8
68.05618	0.6
69.03436	2.5
69.07080	2.1
71.04980	0.9
72.08144	0.9
73.02926	3.3
79.05482	4.3
81.03418	1.6
81.07059	5.2
83.08627	0.7
85.02900	5.4
91.03963	2.4
91.05504	2.3
93.07037	4.4
95.04963	1.0
95.08614	2.5
97.02887	4.2
97.10182	0.7
98.20687	1.1
99.04451	0.9
101.02392	1.8
101.04506	0.6
105.07064	1.2
105.12922	0.5
107.08604	2.6
109.02834	0.6
109.10194	2.3
117.07106	0.7
119.08627	0.5
121.10120	1.4
123.07949	0.5
127.03930	2.0
135.11728	0.7
145.10271	0.6
185.04227	0.9
243.08492	1.6
254.08434	0.6
320.01816	0.6
331.18689	1.2
335.26138	0.8
336.25873	0.6
342.57462	0.7
408.41690	0.6
450.09225	0.6
519.29303	8.6
549.26678	3.1
746.28900	0.8
781.70300	0.8
827.49109	100.0
828.49493	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	827.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92976	1.7
61.02932	5.0
67.05505	11.8
68.64137	1.8
69.03439	5.3
69.07075	2.9
71.05017	2.5
71.31781	4.1
71.77869	1.8
73.02915	6.2
79.05502	7.4
81.03426	3.9
81.07056	12.1
82.07356	2.1
85.02915	6.7
91.03960	5.7
91.05488	8.2
93.07038	5.5
95.04956	1.9
95.08620	8.0
97.02890	6.6
100.95631	1.8
101.02400	2.3
105.07026	4.4
107.08612	4.9
109.10157	3.5
119.08598	3.8
121.10123	2.5
127.03750	1.8
135.11684	3.5
147.11737	3.0
196.59584	2.1
201.89793	2.5
203.80356	2.4
230.25967	2.4
331.18817	6.3
337.27582	3.5
519.29077	10.6
632.48840	2.4
721.47290	2.8
729.42383	4.1
809.47430	11.1
827.49060	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	827.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	0.9
61.02927	4.7
62.69073	0.6
67.05495	5.2
69.03422	3.6
69.07067	2.5
71.01369	0.9
71.04990	2.3
71.60729	0.5
73.02911	3.6
75.26093	0.5
79.05495	4.9
81.03410	4.9
81.07055	7.2
83.04986	1.6
83.08630	1.5
85.02905	5.2
87.04469	0.7
91.03945	2.6
91.05492	5.2
93.07029	4.4
95.04993	2.3
95.08605	2.7
97.02888	5.4
97.06557	1.5
97.10188	1.4
99.04475	0.5
101.02398	1.2
105.07008	2.6
107.04987	1.0
107.08598	3.5
108.18087	0.6
109.02853	1.1
109.06527	1.7
109.10169	1.1
111.04438	0.7
111.08120	0.9
112.23591	0.5
115.03941	0.6
118.89206	0.6
119.08619	2.6
121.10142	3.2
123.04447	0.9
123.08071	0.6
125.09637	1.2
127.03948	1.5
129.05501	0.7
129.07025	1.4
131.08606	2.2
133.10155	2.0
135.08145	0.6
135.11699	0.7
145.10095	0.7
147.08162	0.6
147.11746	1.7
149.09663	2.2
151.11176	0.6
157.10179	1.8
161.09624	0.6
163.11290	0.8
165.12883	0.7
170.94154	0.6
171.11612	0.6
175.11209	1.2
181.12230	0.7
183.82808	0.5
185.04231	0.6
193.12331	1.8
203.05276	0.8
243.08316	3.9
254.65279	0.6
267.09238	0.9
267.16061	1.0
283.08969	0.6
283.15140	3.2
285.10162	0.6
291.19681	0.9
301.08984	0.9
339.18066	0.7
349.20013	2.8
405.22842	1.1
451.20126	0.7
453.21133	2.1
469.20621	1.2
499.21323	0.6
501.23160	13.6
567.27679	7.6
573.25214	1.5
615.26685	1.0
711.34662	0.7
827.43823	100.0
828.43988	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	827.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	7.8
66.59252	1.0
67.05499	9.7
69.03436	3.7
69.07078	3.0
70.64312	0.9
71.04987	2.7
71.59325	1.0
72.08168	1.3
73.02917	5.3
79.05486	5.8
81.03410	6.5
81.07049	6.7
83.04985	2.1
83.08615	1.2
85.02901	10.3
87.04482	1.7
91.03962	5.9
91.05481	4.4
93.07049	5.3
95.04987	3.4
95.08630	3.3
97.02888	7.9
97.06561	2.1
97.10181	2.0
97.30334	0.8
99.04473	1.9
101.02409	2.3
103.03935	1.6
105.07013	5.2
107.04951	1.0
107.08604	3.1
109.02920	1.2
109.06542	1.2
109.10141	5.2
111.08133	1.5
117.07066	1.6
119.08614	2.7
121.10163	2.6
123.04471	1.0
127.03957	3.8
129.05516	1.4
131.08617	2.4
133.10173	1.7
135.08020	1.1
135.11743	1.3
137.09677	0.9
138.84697	0.9
147.11710	2.6
149.09689	1.3
173.11803	2.1
173.87093	0.9
175.11206	1.8
185.04247	2.4
193.12332	2.2
201.03763	1.1
211.13243	1.0
223.13295	1.2
243.08322	5.9
267.09158	3.2
267.16046	1.2
277.62204	1.0
283.15140	11.3
285.10239	3.7
287.11667	1.6
301.08905	12.7
309.16663	1.5
315.10632	2.9
323.18427	2.1
327.10712	1.5
333.20102	1.2
339.17892	1.7
349.16913	2.0
367.17993	3.0
373.10989	4.9
381.18805	6.6
385.18326	8.8
391.95493	0.9
399.20297	3.2
413.17786	8.6
427.19153	7.2
429.17401	1.8
439.19382	2.8
448.74112	1.1
465.28397	2.7
469.20709	2.3
473.21692	1.2
481.20483	7.0
483.21692	1.3
485.17108	2.2
499.21729	3.5
501.23132	25.3
511.28873	1.7
517.22571	1.3
529.22473	14.3
545.21948	1.1
551.28290	2.7
567.25098	1.2
573.25311	8.5
583.31195	1.4
587.26843	1.6
601.28735	3.1
613.32025	1.7
615.30042	1.7
625.32196	1.1
629.31549	1.3
643.33136	2.7
657.30096	1.6
673.33716	5.5
699.35596	7.7
723.39130	39.2
724.39716	1.3
741.36530	36.3
742.36969	1.1
809.42480	3.6
827.43506	100.0
828.43402	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	827.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	7.0
67.05499	8.0
69.03423	5.4
69.07082	2.1
71.01344	0.6
71.04980	1.5
73.02908	5.1
74.93200	0.4
79.05490	4.1
81.03415	3.7
81.07049	9.0
83.04967	1.3
83.08625	1.5
85.02905	8.1
85.06541	0.6
87.04454	0.6
91.03950	5.1
91.05489	2.5
93.07036	6.3
95.04948	1.8
95.08609	2.0
97.02880	7.2
97.06531	2.1
98.20686	0.7
99.04450	1.7
101.02376	2.7
103.03931	0.6
105.07034	1.5
107.04996	0.7
107.08596	3.7
109.02855	1.2
109.06479	0.6
109.10153	1.1
111.08075	0.7
115.03934	0.7
117.07021	0.9
119.08585	0.9
121.10157	2.0
127.03915	2.5
131.08560	1.1
133.10146	1.4
135.11658	0.9
149.13235	4.3
159.11682	2.2
177.12810	1.0
179.18823	0.4
185.04276	1.2
195.13925	0.8
203.05280	0.9
215.11267	1.1
229.33449	0.7
233.12375	0.5
235.13045	2.4
243.08389	2.3
253.95804	0.5
269.17633	1.6
271.13931	2.1
275.19968	0.8
286.45486	0.5
291.15680	1.4
347.09467	2.5
365.10513	0.8
370.06018	0.4
405.13675	5.5
453.20938	21.0
532.97101	0.5
615.26160	14.5
615.36176	0.9
616.26770	0.6
643.78369	0.4
651.19989	0.6
665.34930	3.4
685.46613	0.5
827.40283	100.0
828.40369	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	826.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04993	4.1
61.02685	0.9
61.02925	10.7
62.83871	0.9
67.05502	55.5
69.03419	1.8
69.07066	6.3
70.19842	3.8
71.04992	2.4
71.08626	14.4
72.08179	1.6
73.02911	3.5
79.05482	1.9
81.07051	15.0
83.08629	8.3
85.02891	10.7
85.06542	2.3
85.10179	10.1
91.03949	7.3
91.05476	4.2
93.07036	2.9
95.08597	14.9
97.02889	5.8
97.10196	1.9
109.10148	61.9
111.08043	2.4
119.08575	4.0
123.11724	1.5
127.03904	3.3
137.09628	2.2
145.04953	3.8
155.10675	3.5
163.06050	4.6
173.11723	17.0
229.14336	100.0
230.14719	1.7
239.23721	1.1
257.24619	1.4
313.27347	79.7
332.00311	1.2
332.39203	1.1
362.34753	1.1
467.37323	59.2
506.03214	1.1
826.47302	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	827.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04977	0.4
61.02923	9.5
67.05503	6.9
69.03424	4.9
69.07072	2.6
71.01343	0.7
71.04984	1.5
71.60699	0.8
73.02910	6.2
79.05485	5.3
81.03409	5.1
81.07059	7.6
83.04987	1.5
83.08604	1.2
85.02900	9.3
85.06552	0.6
87.04446	0.7
91.03951	5.5
91.05475	4.8
93.07034	6.0
95.04950	2.5
95.08610	3.1
95.09128	0.5
97.02891	8.1
97.06541	1.5
97.10181	0.7
99.04474	1.2
101.02384	2.0
103.03935	0.8
105.07021	2.1
107.08578	3.3
109.02894	1.3
109.06485	1.1
109.10152	1.2
111.08099	1.0
115.03961	0.5
117.07008	1.3
117.35411	0.4
119.08597	1.7
121.06522	0.6
121.10130	2.3
123.04434	0.4
123.08096	1.0
125.09611	0.6
127.03941	4.0
131.08569	1.7
133.06361	0.5
133.10133	1.9
135.04411	0.5
135.08025	0.6
135.11696	1.2
145.04964	0.9
145.10136	0.5
147.04390	0.5
147.08081	0.4
147.11716	1.3
149.09630	1.2
149.13222	2.4
156.07298	0.5
157.10182	0.7
159.11758	1.0
163.11133	0.7
175.11229	0.6
179.84703	0.5
185.04289	1.1
189.11246	0.7
189.85971	0.5
193.12280	0.4
195.13857	1.2
203.05289	1.4
235.13155	1.7
243.08386	3.3
259.07819	0.6
267.15970	0.6
269.17590	1.9
283.15216	1.4
285.10229	0.7
291.15836	0.7
291.19501	0.6
347.09512	3.9
349.20114	1.0
363.08862	0.6
365.10608	1.6
405.13672	5.5
405.22269	0.8
424.18558	1.0
453.20944	17.9
454.21280	0.6
469.20441	0.6
478.20639	0.5
501.23032	4.6
567.27728	2.8
615.26184	16.7
616.27026	0.9
665.35297	3.6
809.38220	0.7
827.41058	100.0
828.40869	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	824.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60767	2.5
61.02927	3.5
65.03934	3.1
67.05505	56.6
69.03455	2.9
69.07065	19.0
79.05494	49.9
81.07050	44.2
83.08639	12.7
85.02918	2.6
91.05479	51.9
93.07037	45.3
95.04971	6.2
95.08598	36.1
97.10158	5.7
105.07023	48.4
107.08596	26.5
109.06503	4.0
109.10177	12.3
115.05495	3.7
117.07028	24.6
119.08579	39.9
121.10141	18.6
128.06232	5.3
129.07018	16.9
131.08560	31.1
133.10139	27.5
135.11705	11.5
137.13248	3.5
141.06972	5.3
142.07791	4.0
143.08551	18.4
145.10120	29.1
147.11661	17.5
149.13261	6.1
155.08592	7.0
157.10150	16.8
159.11714	23.1
161.13257	7.9
167.08594	4.5
169.10156	16.1
171.11633	12.5
171.30797	2.5
173.13277	10.9
175.14839	4.8
181.10085	6.3
183.11665	14.2
185.13274	10.9
187.14848	3.7
193.10173	3.1
195.11685	6.2
197.13263	9.2
199.14795	7.7
201.16379	3.0
207.11711	4.6
209.13240	8.2
211.14841	7.0
213.16531	4.2
221.13344	3.2
223.14865	4.3
225.16397	4.8
235.14929	2.8
237.16542	3.8
239.17931	3.4
249.16357	4.1
251.17868	3.0
257.19019	6.1
259.20657	3.8
328.60248	2.5
333.24323	7.6
335.25610	3.1
396.60953	3.1
517.40533	13.5
521.35602	2.7
535.41687	5.2
539.37085	2.9
550.39630	3.2
587.87415	3.2
591.44342	5.4
609.45105	100.0
610.45148	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	824.5512
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	3.2
65.03937	4.0
67.05501	80.5
69.03426	7.9
69.07064	27.9
71.04980	5.6
72.08146	3.0
73.02905	2.1
79.05489	60.1
79.05954	2.9
81.03433	8.1
81.07051	85.9
81.29858	1.3
83.04979	9.0
83.08617	12.3
85.02890	3.9
85.06534	5.0
91.05470	48.6
93.07036	70.3
95.04968	11.4
95.08603	52.4
97.02872	4.9
97.06504	11.2
97.10155	4.6
98.20788	4.3
99.08068	2.8
105.04484	1.7
105.07024	33.3
107.04962	5.4
107.08582	42.7
109.06497	6.0
109.10137	19.8
111.08083	4.5
117.07024	14.9
119.08582	27.3
121.06502	3.9
121.10128	27.6
121.12051	1.4
123.08051	4.9
123.11718	6.9
125.09646	2.9
127.03924	2.5
128.06175	1.6
129.06990	6.2
131.08562	23.0
133.10121	18.6
135.08043	3.9
135.11673	20.2
137.09628	1.7
143.08546	4.6
145.10095	17.9
147.11665	14.3
149.09590	9.4
149.13260	15.1
155.08546	2.4
157.10141	4.3
159.11670	12.5
161.13200	7.3
163.11177	4.1
163.14821	2.6
165.12773	1.8
169.10101	2.8
171.11659	4.8
173.04387	3.1
173.13173	7.3
175.11171	2.0
175.14732	1.8
177.12743	5.1
183.11638	1.8
185.13315	3.3
187.14857	2.4
189.11256	1.6
189.16374	1.8
195.13762	5.9
197.13171	1.7
199.14670	1.7
201.16306	1.7
215.17809	1.5
217.15932	2.8
219.17422	2.0
227.12802	1.7
229.14233	2.1
229.19547	2.3
238.47757	1.4
239.17973	4.2
243.21082	2.7
255.15909	9.0
257.18967	4.9
261.22076	12.4
269.17465	28.1
269.20157	2.8
275.20026	24.3
293.20917	1.6
317.24878	1.7
335.25754	100.0
336.26205	1.6
349.23709	19.4
367.24792	4.3
413.21512	2.4
433.57205	1.5
489.35657	3.3
515.37201	17.1
529.38861	62.7
530.39282	2.7
543.40668	2.1
569.41711	8.0
609.45007	23.5
627.45782	6.4
825.46509	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	824.551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	3.0
61.15973	1.1
65.03925	2.2
67.05502	59.7
69.03435	2.1
69.06717	1.8
69.07065	23.4
71.04990	2.6
71.59150	1.5
74.73096	0.9
76.94667	0.9
77.20630	1.0
78.93872	0.9
79.05489	49.6
81.03422	4.3
81.07053	100.0
82.07375	1.0
83.04988	5.2
83.08613	15.2
83.65371	0.9
85.02914	2.1
85.06536	2.5
91.05476	31.7
93.07042	46.3
95.04969	10.3
95.08601	40.3
97.02927	1.2
97.06518	8.1
97.10162	2.3
99.08068	4.0
105.07025	31.4
106.59657	0.9
107.04968	7.5
107.08591	24.9
109.06519	18.1
109.10146	15.5
109.12447	0.8
111.08076	4.2
116.06125	0.9
117.07025	9.2
119.08575	21.9
121.06499	3.5
121.10133	20.3
123.08062	6.7
123.11702	9.4
125.09608	1.5
129.06982	1.9
131.08553	17.4
133.06528	1.3
133.10121	16.9
133.84508	1.0
135.08076	4.4
135.11685	9.5
137.09587	3.4
137.13222	1.3
141.06985	1.1
143.08539	3.2
145.10101	11.5
147.08040	2.1
147.10512	1.2
147.11684	20.6
149.09608	7.6
149.13261	9.0
151.11143	3.1
156.21907	1.0
157.10124	4.1
159.11671	10.1
161.09621	1.1
161.13237	5.2
163.11198	5.6
163.14798	3.4
165.12703	5.1
169.10112	2.0
171.11639	1.4
173.09584	1.0
173.13257	5.0
175.11217	3.2
175.14813	2.1
177.12788	1.8
179.14311	1.4
183.11731	1.9
187.11066	1.2
187.14793	2.1
191.14310	0.9
193.12263	1.9
201.12843	0.9
201.16458	1.0
229.19476	2.0
243.21164	1.9
247.20584	2.8
257.18985	5.7
259.20535	1.1
261.22162	5.5
269.17767	1.1
275.20056	41.9
277.21625	1.3
293.21124	13.1
317.24469	1.2
327.70572	1.2
335.25781	87.3
336.25900	2.0
349.23697	20.7
367.24777	35.7
518.69849	1.1
529.38763	1.3
553.42615	2.3
609.45111	39.2
610.45178	1.6
627.46149	48.1
628.45880	1.8
824.50934	3.3
828.04529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04979	3.1
61.02912	6.9
65.03928	4.8
67.05502	84.8
69.03423	8.3
69.07061	24.2
71.01340	1.8
71.04981	11.3
71.59488	3.0
71.70572	1.8
73.02885	2.1
75.82685	1.7
79.05491	53.7
81.03416	82.2
81.07052	67.1
83.04975	15.2
83.08611	30.6
85.02898	5.3
85.06532	6.0
91.03921	2.5
91.05479	49.6
93.07041	49.5
95.04958	37.0
95.08598	30.3
95.09172	3.3
96.26493	2.2
97.02879	8.5
97.06525	13.8
97.10153	18.5
99.08113	2.9
105.07032	40.0
107.04971	14.0
107.08590	36.6
109.02869	2.8
109.06531	11.7
109.10147	45.0
111.04435	3.8
111.08075	12.3
115.05401	3.1
117.07010	13.3
119.04900	2.7
119.08570	36.4
121.06520	9.2
121.10145	17.1
123.08050	8.8
123.11704	4.9
125.09624	14.6
129.05501	2.5
129.06993	16.6
130.07735	2.2
131.08559	28.2
133.06479	8.5
133.10133	28.7
135.08055	8.0
135.11693	16.7
137.09610	6.2
139.11159	2.6
141.07063	2.2
142.07751	2.6
143.08569	8.1
145.06488	4.4
145.10106	13.2
147.08070	6.6
147.11685	20.6
149.09599	15.8
149.13237	5.6
151.11156	5.1
155.08536	2.2
157.10141	16.6
159.11667	9.7
161.09549	4.9
161.13297	3.2
163.11143	10.3
165.12773	4.8
169.10168	2.2
171.11746	4.0
173.09691	2.2
173.11713	9.9
173.13116	2.8
175.11189	15.5
177.12653	3.3
181.12260	3.5
183.11699	4.1
185.13193	2.8
189.11195	7.4
193.12242	25.7
197.13219	3.2
210.14391	2.0
211.13260	6.5
213.12733	2.1
217.15886	2.5
227.12833	10.1
229.14339	33.5
249.14655	2.2
255.15747	11.5
267.15894	100.0
269.17471	9.5
273.18591	4.1
275.20096	18.1
285.10211	4.3
285.16824	4.7
291.19522	2.7
293.21118	4.4
311.19974	2.3
317.15872	2.7
349.23737	18.4
367.24796	21.3
369.24463	2.7
387.25443	2.8
403.24777	3.9
405.26318	2.7
421.25861	54.9
443.28003	12.6
447.27487	19.0
449.30054	3.4
459.27283	4.2
461.29010	59.3
465.28433	59.5
467.31531	4.1
479.29959	2.6
493.31567	24.8
501.31754	3.5
541.35260	57.8
542.35571	2.2
547.29730	2.0
559.36230	50.6
573.37390	3.7
591.35706	5.5
836.43304	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	824.427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55853	1.7
61.02931	6.8
65.03925	2.0
67.05172	2.4
67.05502	36.2
69.03435	3.4
69.07080	8.1
69.52128	10.4
71.01347	3.5
71.04985	5.6
73.02899	3.5
79.05057	2.2
79.05489	34.3
81.03411	44.8
81.07053	23.2
83.04977	14.5
83.08617	17.2
85.02896	16.2
85.06540	3.9
91.03941	4.6
91.05478	24.2
91.67358	1.7
93.07038	38.8
95.04958	19.0
95.08608	7.7
97.02901	5.0
97.06542	7.3
97.10144	11.1
99.08121	2.4
105.07014	14.7
107.04950	5.3
107.08593	22.0
109.06513	2.5
109.10151	5.5
111.04421	2.4
111.08091	7.5
113.06057	1.9
117.06989	4.8
119.08595	12.8
121.06460	1.7
121.10142	10.5
123.08044	2.9
123.11744	1.8
125.09601	3.9
127.03905	2.4
129.06950	5.1
131.08589	7.7
133.10117	9.6
135.07996	2.2
135.11681	39.9
137.09650	2.2
145.10085	7.8
147.04398	2.7
147.08047	3.1
147.11667	9.6
149.09593	4.2
153.12747	1.6
157.10103	8.0
163.06076	1.6
163.11177	5.6
165.12762	1.7
173.09607	1.6
175.11192	9.6
175.62706	1.6
181.12170	8.0
193.12216	22.0
209.11610	2.3
211.13274	26.8
255.15894	85.1
267.15921	22.7
273.18280	1.7
285.10205	2.2
285.16953	21.2
291.19385	2.7
447.27414	42.9
465.28452	100.0
466.28479	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.3
57.07043	3.6
62.37971	3.2
67.05508	48.3
69.07077	27.0
69.46036	20.4
69.46447	8.6
71.04984	3.5
72.08154	100.0
74.37687	3.2
79.05488	46.9
80.61265	3.6
81.03442	7.8
81.07057	63.2
83.04965	6.7
83.08610	5.8
91.05476	58.0
91.06004	4.5
93.07040	52.4
94.25652	3.2
95.01336	7.7
95.04961	11.7
95.08600	43.6
97.06526	18.8
97.10167	3.3
105.07024	93.0
107.04941	11.4
107.08588	26.0
109.06487	4.5
109.10139	9.6
111.08083	3.7
117.06992	20.1
119.08569	42.1
121.10152	12.3
123.04456	3.3
123.08059	5.2
123.11790	3.1
129.06956	4.7
131.08578	29.8
133.10124	50.6
135.08052	5.7
135.11700	12.8
143.08601	7.2
145.10112	26.5
147.11671	29.3
149.09636	5.4
149.13275	5.4
151.11101	4.5
155.08556	3.9
157.10094	5.9
159.11697	14.3
161.13210	16.1
171.11725	8.1
173.13261	8.3
175.14734	8.4
179.14294	9.5
185.13205	4.5
187.14879	6.9
189.12744	4.4
199.14799	4.0
241.19490	16.0
257.19000	5.7
259.20578	23.0
275.20050	62.7
276.32434	3.7
277.21646	3.9
277.38620	4.1
293.20944	5.6
315.23212	9.7
333.24225	58.4
349.23703	53.8
360.89740	3.4
479.72855	3.6
480.61710	4.0
607.43530	85.2
608.43811	5.5
625.44427	15.5
786.49976	4.9
804.50592	10.4
822.51349	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	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	10.4
61.02913	4.3
65.03926	4.5
66.14088	2.7
67.05502	97.6
69.03436	5.6
69.07064	23.3
70.28365	2.6
71.04977	4.6
71.17378	4.1
71.17706	2.9
72.08140	11.1
74.50274	2.2
79.05053	4.4
79.05489	62.5
81.03403	3.8
81.07056	100.0
83.04957	15.6
83.08608	8.2
85.06526	6.7
85.19836	2.5
91.05480	63.5
93.07041	66.5
95.04974	14.6
95.08602	49.7
97.06512	6.4
97.10202	3.3
105.07030	46.5
107.04934	4.8
107.08591	56.5
109.06512	10.5
109.10149	68.5
111.08070	3.7
117.07001	9.8
119.08587	19.3
121.06492	7.2
121.10139	21.8
123.08080	6.4
123.11687	9.9
129.07004	4.1
131.08563	17.4
133.06462	3.4
133.10126	70.7
135.08025	7.5
135.11670	12.3
137.09604	4.2
143.08594	4.4
145.10114	13.3
147.11673	8.8
149.09589	7.0
149.13213	3.9
151.11198	30.9
157.10185	3.9
159.11661	4.5
161.09589	7.1
161.13214	6.0
169.12239	7.6
173.13271	4.2
175.14871	3.7
215.12672	3.9
245.19011	5.6
253.14337	93.5
255.17453	3.4
261.22116	10.2
273.18451	24.6
291.19626	21.1
327.86453	2.6
335.25781	81.8
335.29825	4.5
347.22070	6.1
365.23294	30.9
468.17221	3.1
495.76178	2.5
513.35706	4.6
518.03253	2.8
531.36877	33.5
607.43341	7.5
625.44635	63.8
625.65100	2.5
645.20587	3.4
822.49243	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	822.5351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	9.4
57.07056	1.6
59.04965	1.8
61.02929	1.4
65.03924	3.1
67.05497	57.1
69.03423	10.2
69.07062	31.9
71.04980	3.0
71.59148	1.2
72.08147	3.5
79.05482	41.9
81.03410	5.5
81.07048	50.4
83.04976	4.0
83.08610	11.3
83.09055	1.3
83.73162	0.8
85.02879	1.7
85.06530	2.3
91.05473	28.3
93.07032	42.9
95.01318	0.9
95.04960	11.5
95.08595	36.5
97.02876	10.0
97.06529	4.7
97.10154	13.5
99.08089	0.8
105.07019	19.7
107.04948	6.0
107.08583	23.9
109.02863	0.8
109.06495	2.8
109.10143	15.9
111.04426	1.0
111.08071	3.1
112.18742	0.7
115.05409	0.9
117.06993	8.6
119.04964	1.7
119.08566	18.0
121.06504	3.4
121.10138	16.0
123.08083	3.9
123.11707	3.1
125.09599	7.6
127.11209	0.7
129.07001	3.7
131.08549	12.8
133.06517	3.3
133.10112	10.9
135.08011	2.9
135.11693	8.0
137.09578	2.4
139.11133	0.7
143.08546	3.1
145.10101	9.2
147.08025	6.4
147.11649	6.7
149.09590	2.6
149.13261	5.0
151.11122	0.8
153.09030	1.3
155.08507	1.2
157.10139	2.9
159.08122	0.8
159.11685	4.8
161.09586	2.4
161.13254	2.9
162.10355	0.9
163.11218	0.8
163.14812	1.7
171.11578	1.1
173.13249	2.9
175.11127	1.7
175.14815	1.0
177.12720	2.1
183.11525	0.8
187.14848	1.5
189.11200	4.0
193.12292	1.1
195.13826	0.9
205.12209	2.2
211.13167	1.0
223.13271	19.6
227.12755	2.8
243.21178	1.6
245.18973	1.1
249.14838	2.4
261.22144	8.9
261.42984	0.8
273.18457	11.3
291.19507	100.0
292.19922	2.1
317.24707	2.8
335.25754	83.1
336.26160	2.3
341.25183	0.7
347.22021	1.7
365.23172	42.8
527.36841	0.8
545.38153	4.2
607.43384	1.4
625.44525	79.2
626.44507	3.0
643.55554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	16.7
59.84433	1.3
60.30507	1.4
61.02906	5.8
65.03928	2.9
67.05500	62.7
69.03406	6.1
69.07063	26.2
71.04986	7.7
71.59607	2.0
73.02876	2.2
79.05487	50.6
81.02925	2.1
81.03413	73.1
81.07050	89.5
83.04971	16.2
83.08131	2.4
83.08616	32.6
85.02893	8.3
85.06522	4.0
90.04156	1.5
91.03931	3.9
91.05473	42.6
93.07037	48.6
95.04961	35.3
95.08594	25.3
97.02883	7.3
97.06516	19.8
97.10160	20.2
99.04424	3.0
99.08078	2.9
102.38017	1.3
105.06376	2.3
105.07028	31.5
107.04942	13.8
107.08590	36.6
109.02904	1.9
109.06503	14.0
109.10152	15.3
111.04433	14.8
111.08073	11.7
115.05452	3.3
117.07010	16.8
119.04918	2.4
119.08578	27.1
121.06484	9.5
121.10126	22.5
123.04424	2.7
123.08069	18.6
123.11724	2.9
125.09635	20.0
127.03926	1.8
128.06227	1.5
129.05452	1.8
129.06995	11.1
131.08562	22.0
133.06476	6.9
133.10117	21.2
135.04439	1.7
135.08098	6.7
135.11673	12.0
137.09601	7.1
139.07526	1.5
139.11133	1.8
141.07036	2.0
142.07767	4.1
143.08522	7.8
145.06471	2.6
145.10118	15.2
147.08040	9.1
147.11671	10.4
149.09596	11.2
149.13248	9.0
151.11147	3.9
153.09108	3.6
153.12784	3.8
155.08556	3.3
157.10095	15.1
159.08041	3.1
159.11690	10.8
159.86581	1.4
161.09616	8.3
161.13193	2.1
163.06039	1.6
163.11163	15.6
165.09128	3.1
165.12704	1.7
169.10106	2.0
171.10175	2.2
171.11684	4.6
173.09618	4.3
173.13170	2.4
175.11163	12.1
177.12743	4.6
181.10101	3.0
181.12181	5.4
183.11595	2.3
185.09686	2.5
185.13235	2.6
189.11205	18.0
189.12708	2.4
191.10641	3.6
193.12238	20.1
195.11765	1.7
195.13757	6.5
199.11238	1.6
199.14778	3.2
205.12276	1.5
209.11653	1.6
211.13249	4.2
213.12735	1.5
217.15819	2.2
219.13747	5.9
223.13226	3.6
227.12755	12.6
229.14243	3.8
245.18982	2.8
249.14781	3.5
251.16519	2.4
255.17569	1.9
267.15891	87.1
269.17426	24.8
273.18475	23.9
274.18796	1.3
283.15353	4.1
289.17807	1.8
291.19513	46.1
297.18542	2.6
309.20593	8.1
313.21475	2.6
317.21121	1.7
329.20950	4.0
347.21994	9.9
353.24646	2.1
365.23230	27.1
383.24268	19.7
407.24493	1.7
421.25894	2.0
427.28442	1.9
433.25446	1.8
437.25259	2.1
445.29535	17.7
447.28412	8.8
459.27182	4.2
461.28824	5.0
463.30521	100.0
464.30569	2.2
465.29965	5.8
477.28091	1.9
483.30713	7.6
521.32709	2.2
529.34961	1.8
539.33618	23.7
557.34741	94.4
558.34882	2.4
575.35724	62.1
589.35852	2.2
599.35553	1.8
607.34875	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	822.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	17.1
59.04991	7.7
61.02905	3.7
62.20826	1.4
62.80709	1.5
63.80869	1.4
65.03940	5.4
65.12865	1.6
65.88255	1.4
67.05502	100.0
69.03426	13.1
69.07064	40.8
71.01327	1.9
71.04993	12.5
73.02898	1.5
76.02634	1.5
78.61105	1.5
78.71558	1.5
79.05489	62.2
81.03416	77.5
81.07052	76.3
83.04972	14.1
83.08612	27.5
85.02898	8.2
85.06535	8.3
87.04443	3.8
91.05476	63.5
93.07040	50.6
95.04962	37.8
95.08593	37.5
97.02882	9.2
97.06534	14.6
97.10168	14.2
99.04462	4.0
99.08115	2.6
103.05474	2.8
105.04536	1.6
105.07027	36.7
107.04953	19.0
107.08588	30.1
109.02876	3.7
109.06530	9.7
109.10147	49.9
111.04406	4.4
111.08075	12.8
115.05438	2.3
117.07021	17.0
119.08574	35.6
121.06516	6.6
121.10130	23.1
122.30647	1.5
123.04399	4.0
123.08063	5.3
123.11723	6.5
125.09625	15.5
127.03915	2.9
128.06210	2.7
129.06992	15.6
131.08571	25.7
133.06499	6.3
133.10114	22.3
135.08041	4.5
135.11691	11.4
137.09619	15.7
142.07768	3.5
143.08537	5.1
144.09294	1.7
145.06500	3.9
145.10117	17.1
147.08011	4.5
147.11674	16.9
149.09596	21.4
149.13292	3.5
151.07567	1.7
151.11150	3.8
153.09059	1.7
154.96140	1.5
155.08601	4.7
155.10635	4.2
157.10118	16.0
159.08038	1.9
159.11656	8.5
161.09634	2.8
161.13271	5.6
163.11143	13.2
165.12766	2.8
167.10797	1.9
169.10094	2.9
171.07954	2.5
171.11639	3.9
173.11777	18.6
173.13223	4.1
175.11174	12.0
177.12788	3.3
179.10562	2.1
179.14270	4.0
181.12262	2.3
183.11708	4.3
183.63420	1.7
185.13268	4.0
187.11159	2.3
187.13342	2.3
189.09550	1.4
189.11230	5.1
189.12755	2.2
191.10674	3.1
193.12234	35.6
195.11824	2.8
195.13805	2.8
197.13258	2.2
199.13257	4.0
199.14990	1.9
205.12212	2.4
207.13712	2.1
211.13197	7.4
213.12894	2.5
219.13808	1.7
223.13184	3.7
225.14838	6.2
227.12740	14.5
229.12088	2.5
229.14337	47.2
229.19547	1.6
231.13838	2.7
239.17946	2.1
241.14423	2.0
243.15948	3.2
249.14775	2.2
253.14313	2.7
255.15997	5.6
257.19016	4.5
267.15909	86.2
269.17490	5.0
273.14816	3.0
273.18478	6.0
275.20010	24.7
283.20554	1.9
291.19577	7.4
293.12164	1.9
293.21066	4.5
301.14133	2.0
310.14352	1.7
315.17935	3.4
329.21170	5.4
337.21335	1.9
349.23792	23.4
355.22665	2.8
363.21680	2.4
365.23080	3.8
373.03760	1.8
403.24802	3.5
409.25800	2.0
421.25845	36.2
423.27350	5.6
429.26208	4.5
435.27322	8.0
445.29297	4.5
447.27399	26.6
455.30096	2.2
461.28995	3.8
463.30853	3.3
489.28381	1.9
495.33054	2.2
503.33600	3.1
509.31113	2.1
523.33716	2.2
541.35284	37.0
543.36383	2.9
557.34808	3.0
559.36273	11.4
654.74774	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.0
57.07066	1.0
61.02927	5.7
64.09133	0.4
65.03941	1.1
66.04708	0.4
67.05501	25.5
69.03412	1.0
69.07064	8.3
70.08900	1.4
71.04990	2.5
71.08604	0.4
72.31277	0.3
73.02913	2.3
79.05491	15.7
79.05959	0.8
81.03418	3.7
81.07053	34.7
83.04974	3.0
83.08615	8.3
85.02899	5.9
85.06528	2.1
91.03957	3.4
91.05061	0.3
91.05477	11.5
93.07038	24.6
95.04975	3.5
95.08599	10.1
95.09158	0.7
97.02870	3.8
97.06524	4.8
97.10174	1.1
98.20655	0.4
99.04468	0.4
99.08075	1.2
103.18372	0.4
105.07020	6.0
107.04981	0.8
107.08585	14.0
109.06509	1.4
109.10153	2.6
111.08083	3.2
117.07007	6.0
119.08566	3.6
121.06503	1.4
121.10130	7.5
123.08052	0.9
123.11672	2.0
125.09631	1.2
127.03928	1.5
129.07002	2.0
131.08562	7.0
133.10132	7.1
135.08055	1.8
135.11682	4.4
137.09697	0.4
141.06953	0.5
143.08553	1.2
145.04985	1.5
145.10100	2.0
147.11691	1.6
149.09627	1.1
149.13252	11.4
151.11192	1.2
155.08560	1.1
157.10138	1.4
159.11662	6.1
163.06062	1.2
163.11221	0.7
165.12799	0.5
167.14331	0.7
169.10106	0.9
171.11690	0.8
175.11159	0.8
177.12752	2.7
183.11618	0.4
185.13281	0.8
193.12216	0.6
195.11870	0.9
195.13779	6.0
197.13237	0.5
213.14758	0.8
216.38678	0.4
227.12822	0.6
251.16438	1.5
267.15991	1.7
269.17453	20.9
273.18460	0.5
291.19489	1.2
335.23660	0.6
343.26398	0.6
353.24768	1.6
368.76730	0.4
371.25916	1.5
389.26926	0.9
413.21655	1.0
445.29468	13.9
446.29645	0.5
463.30524	100.0
464.30844	3.5
481.31638	0.9
547.33276	0.4
557.34644	2.1
571.32916	0.6
575.35938	1.2
607.34772	5.8
715.52570	0.4
737.29114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03177	0.5
57.03435	5.7
57.07072	1.1
61.02921	3.6
65.03947	1.3
67.05500	28.7
69.03430	0.7
69.07066	10.4
71.01352	0.6
71.04984	2.7
71.08626	0.6
72.34272	0.3
73.02905	1.6
79.05487	16.4
81.03419	1.8
81.07050	38.5
82.01566	0.3
82.07389	0.3
83.04982	3.4
83.08611	7.5
85.02900	3.9
85.06540	2.4
87.04419	0.3
91.03952	2.4
91.05471	8.9
93.07036	29.7
94.07362	0.3
95.04964	3.0
95.08597	9.2
97.02875	2.1
97.06519	6.7
97.10161	0.6
97.38067	0.2
98.20692	0.5
99.04500	0.3
99.08080	1.7
105.07024	3.5
107.04961	0.3
107.08585	15.4
108.08958	0.4
109.06492	1.7
109.10139	2.0
111.08069	3.5
111.11730	0.5
113.09634	0.6
115.05413	0.3
117.07006	4.8
119.08571	1.5
121.06522	1.0
121.10132	10.3
122.10546	0.3
123.08039	0.4
123.11712	1.0
125.09597	0.7
127.03924	1.0
127.07497	0.4
129.06993	0.4
131.08557	4.5
133.10112	3.8
135.08046	0.9
135.11688	4.6
139.11185	1.1
144.09351	0.3
145.04979	0.8
145.10114	0.5
147.11713	0.7
149.09572	0.5
149.13245	18.8
151.11168	0.6
157.10182	0.4
159.11685	8.6
163.03619	0.3
163.06032	0.9
167.14302	0.7
168.79366	0.3
177.12724	3.2
195.13815	5.2
213.14919	0.7
267.15820	0.4
269.17450	45.1
269.51312	0.3
270.17853	0.5
413.21619	0.3
431.96695	0.3
444.20187	0.9
445.29431	0.5
463.30511	100.0
464.30786	2.6
481.10950	0.3
607.34790	0.8
636.68591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03183	0.4
57.03439	4.5
57.07064	0.7
60.25863	0.4
61.02933	3.6
61.92485	0.4
65.03938	0.6
67.05503	26.9
68.05849	0.5
69.03417	1.9
69.07069	7.1
71.01345	0.4
71.04992	3.1
72.08149	0.7
73.02902	1.7
73.03265	0.4
75.75800	0.4
79.05492	17.5
81.03415	5.9
81.07055	35.1
83.04977	3.0
83.08620	7.8
83.09109	0.7
83.47904	0.4
85.02901	6.4
85.06541	2.4
91.03969	2.6
91.05480	13.4
93.07041	23.9
95.04976	5.0
95.08603	10.4
95.09176	0.4
97.02895	3.5
97.06524	5.3
97.10168	1.4
99.04461	0.5
99.08103	1.5
103.05467	0.5
105.04527	0.5
105.07024	7.9
107.04965	1.8
107.08590	15.3
107.21708	0.4
109.02862	0.4
109.06535	2.6
109.10151	4.0
111.04414	0.6
111.08057	3.6
115.05452	0.4
117.07011	5.4
119.08571	4.5
121.06508	2.1
121.10143	8.0
123.04359	0.6
123.08059	1.1
123.11703	2.0
125.09653	1.1
127.03936	1.2
128.06190	0.5
129.06989	2.0
131.08575	8.0
133.06505	1.0
133.10133	8.4
135.08058	1.4
135.11682	4.7
137.09641	0.5
141.07001	0.9
143.08545	2.0
145.04950	1.0
145.10138	3.0
147.08038	0.8
147.11687	1.6
149.09584	0.9
149.13263	11.1
151.11192	1.1
155.08600	0.9
157.10168	1.6
159.08128	0.5
159.11693	6.4
161.09641	0.8
161.13232	0.7
163.06047	0.9
163.11148	1.2
167.08525	0.9
169.10181	1.1
171.08078	0.5
171.11687	1.3
173.04462	0.9
173.13214	0.7
175.11264	0.9
177.12720	2.9
185.13219	0.7
193.12236	1.4
195.13800	6.5
197.13307	0.7
199.14879	0.8
211.13266	0.9
213.14790	0.6
223.14845	0.4
227.12755	0.6
229.14325	1.0
233.15340	0.6
251.16426	1.7
267.15851	2.4
269.17471	20.6
273.18512	0.8
283.15457	0.5
285.10190	0.5
285.16946	0.5
291.19727	0.5
306.10315	0.4
325.25708	0.5
335.23743	0.6
337.97595	0.5
343.26596	1.0
347.22485	0.4
353.24817	1.8
371.25885	1.7
389.26746	1.1
413.21716	1.0
427.28384	0.5
445.29486	16.6
446.29300	0.6
447.27536	1.2
461.29068	1.1
463.30554	100.0
464.30878	1.7
465.64758	0.5
481.31839	1.9
487.30557	0.9
539.33838	0.8
557.34760	2.2
571.32507	0.5
575.36005	0.7
589.33020	0.9
607.34796	10.2
734.66339	0.5
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
57.03148	0.3
57.03435	5.5
57.07066	1.2
59.04981	0.5
59.62852	0.3
61.02921	5.6
65.03928	0.9
65.98167	0.2
67.05500	32.2
68.05827	0.5
69.03426	1.4
69.07063	10.6
71.01354	0.5
71.04990	3.1
71.96825	0.3
73.02925	2.3
79.05488	18.1
81.03403	3.1
81.07050	44.7
82.07394	0.5
83.04982	3.5
83.08615	8.3
85.02899	6.1
85.06532	2.4
87.04465	0.7
91.03954	3.2
91.05473	12.3
93.07034	29.6
95.04961	4.3
95.08601	10.9
96.04470	0.3
97.02888	3.5
97.06515	5.4
97.10168	1.4
97.84224	0.3
99.04456	0.5
99.08080	1.4
105.04507	0.6
105.07018	4.6
107.04942	0.8
107.08585	18.8
109.02894	0.5
109.06534	1.6
109.10157	2.6
111.08076	4.1
113.06013	0.3
113.09623	0.4
115.07568	0.3
117.07007	5.1
119.08574	1.9
119.22412	0.3
121.06506	1.2
121.10135	8.8
123.11677	1.9
125.09645	1.0
127.03912	1.5
127.07572	0.4
129.06978	0.4
131.08557	5.2
133.10114	6.3
135.08070	1.1
135.11678	5.0
139.11198	0.7
143.08551	0.3
145.04973	1.1
145.10091	0.7
147.11699	1.0
149.09612	1.0
149.13248	14.8
150.23392	0.3
151.11183	1.0
153.09085	0.4
157.10133	0.5
159.11678	6.9
160.11975	0.3
163.06032	1.3
177.12714	2.9
189.11157	0.4
195.13785	7.2
213.14871	1.3
227.12878	1.0
229.14322	0.7
237.93593	0.3
251.16446	1.0
267.15768	0.7
269.17453	35.6
270.17853	0.8
275.20108	0.6
281.10687	0.7
287.11743	0.5
316.11853	0.4
335.27710	0.3
349.23700	0.4
374.54980	0.3
413.21829	0.8
428.18680	3.1
428.69366	0.7
445.29471	1.0
463.30508	100.0
464.30774	3.5
478.21082	0.4
503.33643	0.7
536.80621	0.3
575.35040	0.5
607.34784	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	822.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.3
57.07043	0.9
59.04995	1.1
61.02679	0.6
61.02924	7.0
65.03927	1.7
67.05500	36.4
68.05815	0.7
69.03409	2.6
69.06725	0.6
69.07066	11.0
70.00515	0.6
71.04992	3.6
71.59753	0.9
71.60136	0.7
73.02911	3.4
73.06518	0.7
79.05486	23.3
81.03410	6.4
81.07050	47.3
82.07375	0.7
83.04974	4.8
83.08614	11.3
85.02896	7.8
85.06545	3.7
87.04484	0.7
91.03967	5.0
91.05476	17.4
92.05787	0.8
93.07038	31.6
95.04972	5.7
95.08605	10.5
97.02877	4.6
97.06527	6.4
97.10166	2.3
98.21070	0.7
99.04439	1.3
105.07034	6.9
107.04926	1.7
107.08584	19.6
109.02898	1.4
109.06519	2.2
109.10149	6.1
111.08075	3.8
111.77705	0.6
115.05484	0.9
117.07003	5.8
118.00180	0.6
119.08567	3.5
121.06513	2.5
121.10135	7.5
123.08035	0.9
123.11746	3.2
125.09649	1.0
127.03921	2.3
129.07031	1.2
131.08578	6.3
133.10138	9.9
135.08055	2.3
135.11690	6.0
137.09583	1.1
143.08548	1.2
145.04956	1.9
145.06538	0.7
145.10104	0.7
147.11650	2.9
149.09642	1.2
149.12164	0.9
149.13264	8.6
151.11128	1.4
159.11697	6.3
163.06024	2.0
163.11206	1.0
167.91666	0.6
175.11224	0.9
177.12726	2.6
193.12227	1.4
195.13795	7.9
213.14899	1.5
225.14902	0.8
227.12842	1.2
229.14311	2.6
251.16373	2.8
267.09058	1.2
267.15894	1.9
269.17450	38.5
270.17868	0.9
275.20062	1.4
281.10663	2.5
281.17261	0.6
281.37906	0.7
285.17001	0.8
299.11688	1.2
316.11853	0.7
322.11716	4.5
349.23633	1.2
413.21713	1.1
428.18765	8.5
428.68787	2.1
445.29449	3.4
463.30533	100.0
464.30807	3.6
503.33643	0.7
559.36078	0.8
607.34277	3.2
612.51819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	15.7
61.02906	8.7
64.85939	3.2
65.03922	9.2
67.05502	91.4
69.03426	12.5
69.07066	36.1
71.04985	6.7
71.60124	4.7
73.02903	3.3
79.05058	5.5
79.05493	75.2
81.03415	15.1
81.07055	100.0
82.07383	3.3
83.04967	15.7
83.08609	17.1
85.02895	13.4
85.06535	4.8
91.03938	3.7
91.05474	66.3
93.06468	4.6
93.07037	68.8
95.04967	24.1
95.08611	51.5
97.02888	12.3
97.06526	27.0
97.10156	13.3
105.07025	58.6
107.04961	15.1
107.08587	45.0
109.02844	3.6
109.06502	15.5
109.10154	27.0
111.04482	5.8
111.08053	5.7
117.06993	24.2
119.08570	45.3
121.06534	7.9
121.10147	25.2
123.08037	10.5
123.11731	8.8
124.06842	3.3
125.09612	13.5
126.96553	3.0
127.03905	4.1
129.06976	9.7
130.07913	3.1
131.08554	30.6
133.10118	37.5
134.10361	2.9
135.08049	8.5
135.11717	17.9
137.09619	7.1
137.13319	2.7
141.06999	3.2
142.07729	4.4
143.08548	11.1
145.10118	22.7
145.23596	3.2
147.11673	21.1
149.09612	21.6
149.13261	14.5
151.11211	8.2
155.08543	5.4
157.10133	8.6
159.11711	19.7
161.09618	4.9
161.13266	6.4
163.11160	9.0
171.11681	8.4
173.11868	4.1
173.13254	8.7
175.11220	3.2
177.12735	4.8
179.14212	5.1
183.11534	3.0
187.11229	4.9
189.11195	9.1
189.12703	3.7
193.12222	3.7
195.13763	4.3
227.12785	19.1
229.14371	4.7
239.17912	4.3
245.13452	3.3
247.20566	4.3
253.14362	9.2
257.18976	12.5
266.39941	3.4
269.17398	23.5
273.18463	7.3
275.20047	77.9
276.20453	5.6
291.19482	8.4
293.21082	11.5
331.22729	3.4
349.23691	60.3
350.23697	3.6
365.23560	6.0
367.24762	11.9
403.34488	3.2
517.36261	3.1
543.36847	38.5
561.37610	6.2
623.42456	13.3
641.44342	16.9
659.45026	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	15.4
61.02913	10.2
62.35580	2.9
65.03946	6.6
67.05502	100.0
69.03419	11.9
69.07066	36.9
71.01321	4.0
71.04973	11.6
71.60334	5.8
73.02910	3.6
79.05487	84.8
81.03399	16.1
81.07052	90.4
82.07385	4.0
83.04971	18.6
83.08627	24.9
85.02902	12.1
91.03930	6.8
91.05472	65.7
93.07037	69.8
95.04943	23.2
95.08596	48.8
97.02883	12.0
97.06515	35.8
97.10161	18.1
99.08092	6.0
105.06371	5.6
105.07022	64.2
107.04964	19.0
107.08585	53.1
109.02897	4.3
109.06505	12.8
109.10143	25.5
109.25022	3.3
111.08058	8.8
117.07003	27.6
119.08571	41.9
121.06483	6.0
121.10114	24.8
123.08049	12.3
123.11707	9.7
125.09620	17.4
127.03916	3.6
128.06215	5.1
129.06996	10.5
131.08574	28.0
133.06448	4.2
133.10136	39.8
135.08073	9.5
135.11664	9.9
137.09604	10.3
139.11128	3.1
141.07008	3.7
143.08540	9.5
145.10129	26.7
147.08026	7.4
147.11681	23.5
149.09596	21.2
149.13275	8.9
151.11156	6.2
155.08511	7.5
157.10120	12.0
159.11732	21.2
161.09605	6.7
161.13203	7.3
163.11209	15.4
169.10120	4.1
171.10310	3.5
171.11671	12.4
173.09679	3.4
173.11745	4.6
173.13255	9.9
175.11148	3.9
177.12704	6.6
181.10081	3.2
183.11711	6.7
185.13312	4.4
187.11159	5.8
187.14806	4.8
189.11200	12.2
191.10847	4.0
195.11737	3.4
197.13177	5.9
199.14790	3.9
211.14764	4.3
213.16389	4.7
227.12775	30.3
229.14391	6.8
245.13892	3.6
247.20607	4.8
257.18964	15.9
269.17413	27.0
273.18512	4.8
275.20053	76.6
275.23108	5.1
277.21600	4.2
291.19440	7.3
293.21146	6.6
331.22684	3.8
333.24197	3.6
349.23727	52.4
365.23154	5.8
367.24545	9.8
376.03113	3.2
391.30103	3.1
434.90366	3.4
447.31503	3.6
519.33063	4.0
529.35260	8.6
543.36835	29.8
623.42999	17.7
641.43787	20.2
659.44922	8.2
688.40802	3.4
757.31354	3.7
821.39734	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	821.415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	20.8
57.07075	1.1
59.05007	1.1
61.02921	78.3
63.48368	0.9
65.03942	1.8
67.05498	31.7
69.03421	27.2
69.07063	8.7
69.99927	4.2
71.01349	3.0
71.04646	1.0
71.04984	5.8
73.02911	23.0
75.04472	1.7
79.05484	20.6
80.05803	0.9
81.03411	24.4
81.07050	34.7
83.04990	4.3
83.08607	4.0
85.02895	100.0
85.06514	1.1
87.04462	2.8
91.03946	62.7
91.05467	16.4
93.07040	25.9
95.04967	5.5
95.08598	23.9
97.02883	78.7
97.06525	2.3
97.10145	2.0
99.04454	13.9
99.08086	1.3
101.02355	5.2
103.03941	10.3
105.07027	12.4
107.04969	1.8
107.08581	15.4
109.02876	13.4
109.06523	3.7
109.10149	11.9
111.04437	4.2
115.03912	7.4
117.05477	3.7
117.06988	5.3
119.08573	10.6
121.06525	2.1
121.10130	15.4
123.04419	1.0
123.08048	1.3
123.11693	5.8
125.09638	1.4
127.03904	38.4
129.05490	5.9
129.06973	1.2
131.08539	8.5
133.10118	7.9
135.08083	1.8
135.11656	9.5
137.09705	1.4
137.13275	1.1
139.11087	0.9
143.08569	1.9
145.04948	31.0
145.10114	9.1
147.11670	7.9
149.09641	2.0
149.13242	6.1
151.11171	1.2
155.08557	1.2
157.10109	1.8
159.06502	2.2
159.11716	7.3
161.13280	4.9
163.05995	18.7
163.11246	1.8
163.14807	4.1
169.10153	1.2
171.06540	2.5
171.11746	2.4
173.11966	1.1
173.13251	4.8
175.14812	2.5
177.12729	1.3
177.16391	1.4
183.06519	10.2
185.13287	2.3
187.11192	1.4
187.14780	3.3
193.10060	0.9
197.13277	1.3
199.14853	1.5
201.07558	7.2
201.12608	0.9
201.16374	1.1
219.08612	1.8
241.06854	1.3
241.19632	1.0
243.21046	5.4
259.20575	3.2
261.22131	16.8
273.22107	1.6
276.20618	1.0
277.21561	1.6
279.23129	1.8
285.22046	2.4
303.23236	3.9
315.23172	1.7
327.23221	2.9
335.25760	56.8
341.24808	2.2
345.24139	2.5
346.58170	1.1
351.23251	2.9
353.26852	2.2
363.25162	2.8
369.24258	3.8
375.25073	1.3
377.26788	2.6
387.25171	1.8
389.26797	1.2
401.26816	1.2
405.26334	1.6
419.27850	1.9
431.28320	1.1
435.90320	1.0
443.27948	5.3
461.29050	4.2
479.29956	8.5
497.31006	4.2
726.72504	1.0
821.40289	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	11.1
61.02919	5.4
65.03922	7.0
67.05500	89.9
69.03429	27.5
69.07064	38.5
71.04984	9.1
71.11276	2.5
71.60117	4.3
72.08147	3.0
79.05486	72.7
81.03413	42.4
81.07053	100.0
83.04974	21.6
83.08603	21.8
85.02906	9.2
85.06526	4.8
91.05474	76.8
91.06778	2.7
93.07032	66.1
95.04968	37.2
95.08595	43.0
97.02877	17.6
97.06535	23.6
97.10153	19.2
99.04417	6.7
99.08079	4.8
105.07020	58.4
107.04944	24.0
107.08579	44.6
109.02853	7.9
109.06538	16.2
109.10155	32.7
110.10538	2.8
111.04424	7.0
111.08076	6.4
113.05989	3.9
115.05450	4.8
117.07005	29.3
119.08567	49.3
120.34930	3.0
121.06485	11.2
121.10130	27.2
123.04380	4.8
123.08054	17.1
123.11691	6.7
125.09624	21.6
127.03900	9.5
129.05487	4.5
129.06999	17.6
131.08571	31.4
133.06482	6.0
133.10133	47.9
135.08020	17.1
135.11688	12.6
137.09622	8.2
141.06981	3.6
143.08525	14.6
145.06497	6.5
145.10110	28.7
145.51215	2.9
147.08051	10.6
147.11687	20.6
149.09602	19.8
149.13231	11.0
151.11160	11.5
153.09138	3.1
155.08545	3.5
157.10117	12.0
159.08032	6.1
159.11668	18.9
161.09613	10.8
161.13249	7.0
163.11197	10.8
165.09169	3.9
165.12534	3.5
167.10625	3.1
169.10074	7.2
171.08046	3.0
171.11664	10.7
173.04407	9.7
173.13243	5.3
175.11133	7.8
177.09180	3.3
177.12726	4.8
179.10837	3.0
181.10097	3.9
183.11691	6.6
185.09550	3.7
185.13252	4.9
187.11174	3.0
189.11230	8.0
193.12335	5.9
197.13341	3.7
201.12860	4.1
216.26300	2.6
223.13164	13.8
227.12712	18.6
229.19521	5.2
245.18922	6.2
247.20566	3.5
249.14804	4.5
253.14209	15.4
257.19101	4.9
267.15921	10.9
273.18518	28.3
275.20029	53.7
291.16138	4.5
291.19479	84.6
291.22864	4.3
293.20874	5.8
347.22150	10.1
349.23651	29.9
365.23212	39.0
367.24838	3.1
384.26199	3.1
541.34998	10.0
559.36395	18.8
611.42285	3.6
621.41418	7.0
623.34302	3.1
639.42438	35.6
657.42999	8.4
703.39764	6.4
801.46698	5.8
819.48181	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	819.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	16.5
61.02924	7.5
65.03931	4.9
67.05504	84.1
69.03433	24.6
69.07067	40.9
70.28764	2.7
70.85113	5.4
70.85487	5.2
71.01337	3.2
71.04970	11.1
73.02905	3.0
79.05491	79.9
81.03422	38.7
81.07056	90.5
83.04969	12.6
83.08621	24.3
84.55499	3.3
85.02908	12.7
85.06503	6.4
91.05478	70.9
93.07040	53.9
95.01366	2.5
95.04972	33.7
95.08608	46.2
97.02905	18.7
97.06529	24.5
97.10173	16.5
99.04452	5.6
99.08136	4.7
103.05441	4.5
105.07025	68.2
107.04952	24.0
107.08594	49.4
109.02876	6.9
109.06512	24.6
109.10154	22.1
111.04445	6.5
111.08077	6.8
113.06013	5.6
115.05482	5.8
117.07016	28.7
119.04899	3.5
119.07782	4.1
119.08581	51.6
121.06503	10.3
121.10143	23.2
123.04455	3.1
123.08070	13.8
123.11703	6.4
125.06074	3.2
125.09619	22.9
127.03910	10.9
128.06216	5.7
129.07002	19.8
130.69879	2.8
131.04950	2.9
131.08563	32.1
133.06506	6.6
133.10124	34.8
135.08038	17.7
135.11667	15.0
137.06065	3.5
137.09618	8.2
139.07532	3.2
141.06955	4.6
143.08554	15.8
145.06474	3.7
145.10110	28.3
147.08055	13.0
147.11679	21.2
149.09630	15.9
149.13216	8.5
151.07581	3.0
151.11163	7.0
153.09149	2.8
155.08557	6.5
157.10126	12.2
159.08028	6.2
159.11699	18.2
161.09610	9.1
161.13293	8.2
163.11195	10.6
165.09042	5.1
169.10165	9.5
171.11690	11.5
173.04477	7.4
173.09619	5.4
173.11845	3.8
173.13243	9.3
175.11133	6.8
175.14801	4.1
177.12752	4.3
179.14322	5.4
181.12259	3.3
183.11671	6.7
185.13272	7.3
187.11118	3.9
187.14722	3.8
189.11238	19.6
189.12654	3.3
193.12210	3.7
195.13744	4.0
197.13210	5.8
201.12839	3.5
205.12209	4.5
211.13269	6.3
215.57495	2.8
217.15939	4.9
223.13225	8.6
227.12778	25.0
229.14294	3.0
229.19373	3.9
245.13734	5.3
245.19121	4.1
249.14798	4.0
253.14288	5.2
255.17615	4.2
257.19165	12.5
259.20587	6.6
267.15927	5.1
269.17545	3.1
273.18494	36.7
275.20068	76.4
291.19534	100.0
293.21130	7.6
309.20477	3.0
330.26346	2.6
331.22531	4.6
333.24454	5.8
347.22189	10.1
349.23743	39.9
363.21738	5.0
365.23218	33.7
490.17792	3.1
529.36340	3.6
541.35199	10.2
543.36957	3.4
545.34424	3.9
559.36072	13.5
621.41418	12.5
639.42529	43.3
657.43079	15.1
801.47186	5.4
819.47888	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	23.2
57.07066	3.2
58.06576	1.7
64.19128	1.6
65.03924	7.0
67.05502	83.6
69.03419	12.5
69.07053	15.6
71.04990	7.6
71.59251	3.0
73.02892	1.8
79.05490	52.0
80.05855	1.8
81.03411	18.8
81.07054	64.2
82.07385	1.9
83.04988	9.6
83.08617	10.4
85.02901	8.1
85.06550	14.4
91.05474	53.1
93.07047	47.7
95.04970	67.7
95.08602	29.1
97.02886	8.1
97.06522	11.5
97.10173	6.4
99.04458	5.2
99.15401	1.8
105.07030	45.3
107.04969	17.3
107.08598	35.2
109.02857	4.3
109.06523	60.5
109.10149	12.7
111.04475	2.4
111.08072	8.5
113.05993	32.9
115.05439	3.4
117.07024	21.7
119.08584	26.1
121.06480	13.1
121.10159	15.3
123.04455	3.1
123.08066	6.6
123.11710	3.3
125.09612	4.3
127.03923	6.5
128.06212	4.5
129.06992	10.7
130.07675	3.1
131.08569	31.3
133.06503	6.2
133.10135	22.8
135.08061	51.9
135.11688	12.3
137.09605	3.5
141.07016	5.1
142.07808	2.4
143.08553	11.6
145.06482	2.1
145.10126	22.3
147.02153	1.8
147.08018	9.0
147.11682	13.8
149.09576	9.6
149.13272	7.8
151.11191	3.7
155.08505	3.3
157.10146	10.9
159.08040	4.0
159.11674	15.6
161.09615	10.0
161.13179	3.8
163.11136	9.8
169.10129	4.7
171.08092	1.9
171.11708	7.2
173.04477	6.3
173.09683	3.8
173.13277	4.8
175.11182	5.2
177.12727	4.7
179.14273	3.8
183.11685	5.9
185.09598	2.0
185.13333	3.8
187.11203	5.6
187.14900	2.2
189.11221	2.2
189.12798	2.6
191.14293	3.3
193.12213	2.7
195.11763	3.1
195.13824	4.1
197.13335	2.3
199.14783	4.0
201.12694	4.4
217.15883	9.3
227.12727	2.9
227.17867	2.0
229.14198	2.1
229.19572	1.7
237.16534	1.7
245.19041	4.6
247.20685	2.5
257.19098	5.4
269.17487	3.8
273.18463	49.1
274.18814	2.0
275.20071	33.4
279.15906	3.1
291.19540	100.0
292.19870	3.2
293.21109	3.8
308.59875	2.1
329.21246	2.6
331.22647	2.1
339.18097	2.2
347.22110	14.9
349.23697	21.4
365.23257	22.3
366.24216	2.1
413.21741	10.0
437.62692	2.0
541.35382	12.5
543.37134	2.0
559.36353	27.8
621.41553	10.3
633.90753	2.0
639.42657	25.4
657.43628	5.4
703.40735	10.8
783.45392	3.1
801.47296	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	815.3
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	5.0
64.71191	0.2
69.81910	0.4
69.82320	1.0
71.60461	0.3
80.19406	0.2
80.50770	0.2
84.95984	0.5
92.05974	0.2
98.21478	0.3
98.97574	4.1
110.97563	0.6
116.98621	3.2
123.04395	0.3
128.98598	1.1
134.99641	1.5
139.00598	0.7
139.03960	0.3
143.00114	0.2
145.01727	0.4
146.99580	0.9
151.00645	0.4
157.01743	1.7
158.99681	0.5
159.03207	0.6
161.01250	0.4
169.01717	0.5
170.99597	0.6
175.02821	0.4
175.04146	0.3
177.00673	0.9
181.01720	0.3
183.03358	0.3
185.01181	0.3
187.02718	0.9
189.00638	0.5
193.05377	3.3
195.03323	0.2
197.04892	0.6
199.02759	0.4
203.03700	0.7
205.05336	3.1
207.03407	1.4
209.04799	0.7
211.06418	7.5
212.31549	0.2
219.01738	2.7
221.04826	3.2
221.86821	0.3
223.06409	28.5
224.06645	0.4
225.04359	2.0
227.05995	0.3
229.07410	1.0
237.02774	7.7
239.05879	1.4
241.07468	14.9
242.07793	0.3
243.05331	0.4
246.08064	0.8
247.06395	7.8
251.05893	0.8
253.07433	0.6
255.03790	0.8
264.09045	0.3
265.07452	13.0
271.08499	0.7
277.07401	1.0
279.08905	0.7
283.08496	11.8
283.11713	0.3
284.08734	0.3
288.08951	0.3
289.07056	0.5
291.08701	0.3
293.06949	0.8
297.06586	0.3
301.09793	1.1
307.08517	2.6
309.10040	0.3
315.07584	0.3
325.09592	0.9
337.09457	0.8
349.09650	1.0
367.10626	33.9
368.11002	1.0
385.11612	2.4
413.15057	0.8
427.12747	100.0
428.13019	1.6
445.13632	0.3
456.97855	0.2
815.29962	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.6
57.07077	2.2
57.53608	1.6
58.85788	1.7
59.05000	1.6
61.02914	3.3
65.03935	4.6
67.05502	52.5
68.05840	1.8
69.03426	23.0
69.07065	30.1
69.68285	10.1
71.04988	8.5
71.08627	1.7
72.08154	35.9
73.02901	2.3
73.08493	1.9
74.73022	1.8
79.05490	55.1
79.05966	2.6
81.03416	41.7
81.07053	47.4
81.07518	3.3
83.04981	11.7
83.08609	18.1
85.02901	12.3
85.06556	2.7
90.59817	1.3
91.05477	41.0
93.07036	41.8
95.04956	24.6
95.08596	30.0
97.02881	16.7
97.06515	7.3
97.10165	26.5
99.04446	3.7
99.08078	2.2
101.02363	1.5
103.05470	2.1
105.07024	34.6
107.04956	20.0
107.08586	28.9
109.02879	9.1
109.06498	8.7
109.10154	17.1
111.04460	4.8
111.08092	7.4
115.05463	4.5
117.07022	16.9
118.07359	1.7
119.04950	2.6
119.07761	2.6
119.08581	28.8
120.05721	1.9
121.06491	8.0
121.10131	14.9
123.04435	3.1
123.08076	10.5
123.11690	3.6
125.09624	28.5
127.03899	9.6
128.06223	3.6
129.05490	1.8
129.07004	9.8
130.07825	2.0
131.04912	2.4
131.08559	19.4
133.06496	9.0
133.10117	12.1
135.08051	10.6
135.11699	8.6
137.09641	5.8
139.03926	4.0
141.06978	4.2
141.09100	1.7
143.08571	11.6
145.06487	6.0
145.10081	15.6
146.07231	1.8
147.04395	2.3
147.08049	16.1
147.11717	5.8
149.09564	7.7
149.13289	3.9
151.11189	4.0
153.09137	3.0
155.08601	2.8
157.10123	7.3
159.08083	3.6
159.11681	7.1
161.09602	7.2
161.13261	3.5
163.03935	4.8
163.11195	6.5
165.09114	4.4
165.12724	1.8
169.10155	5.2
170.05795	6.5
171.10281	2.9
171.11699	6.7
173.04486	12.4
173.09653	2.6
173.13275	2.4
175.07516	1.4
175.11168	10.1
177.12694	2.4
181.10133	3.3
183.08054	2.1
183.11665	3.0
185.13257	2.1
187.11201	2.9
189.11229	14.2
189.12733	2.7
191.10582	1.4
193.12262	5.7
195.11742	3.2
195.13683	1.4
197.09636	2.0
199.11234	2.2
201.12741	2.0
203.10654	1.8
205.12306	2.4
209.13237	1.9
211.11176	1.7
211.13234	3.4
223.13254	16.0
225.11227	3.4
227.12744	25.0
227.17891	1.6
241.04947	3.3
245.13832	1.6
245.18996	4.4
249.14786	3.6
255.17503	4.7
257.18903	1.8
261.18604	2.0
262.15570	1.8
263.20108	1.8
267.15915	2.8
273.15784	2.9
273.18494	35.4
275.20151	3.2
281.01172	1.7
289.17615	2.2
291.19516	100.0
315.19580	4.0
335.25821	4.9
344.98975	1.4
347.21930	10.4
365.23248	27.3
366.23581	1.9
389.22696	1.7
417.22653	2.1
435.23883	6.0
463.17337	1.6
465.19034	7.8
509.27264	3.1
514.39502	1.7
529.38788	2.5
530.38995	6.1
535.32660	3.1
539.22382	2.7
557.34723	4.2
573.34357	2.5
594.45758	2.0
597.37909	2.2
611.46295	2.2
612.46820	12.8
619.39551	2.0
627.42603	2.8
630.48126	3.9
637.40924	16.1
655.41992	30.5
719.39679	3.2
781.44641	2.4
799.45972	12.9
800.79224	1.9
817.47229	42.5
818.47864	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	813.4902
Annotation	Glabrin C
Peak:m/z	Relative Intensity
70.77000	17.2
90.34245	6.8
111.26889	6.9
122.82958	7.0
126.65830	8.0
144.86935	8.8
151.09749	15.0
158.59933	7.7
182.45724	7.6
783.93091	7.9
813.48950	100.0
814.48712	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	813.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.9
61.02930	4.9
67.05499	7.8
69.03432	1.9
69.07060	2.4
70.61465	2.0
71.59547	2.5
72.08184	2.4
73.02921	2.9
79.05497	4.4
81.07056	4.0
85.02934	4.8
91.05498	2.4
93.07061	5.9
95.08583	3.8
96.74973	1.6
97.02917	6.9
101.02412	2.8
105.07057	4.0
107.08634	2.1
119.08662	2.8
127.03881	1.9
131.08575	2.0
133.10124	2.3
243.08539	3.1
301.08972	2.4
334.16705	1.8
434.48117	1.8
519.29175	13.0
535.28906	3.5
667.64752	2.0
813.51233	100.0
814.51898	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	814.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	1.3
57.07064	1.0
63.98639	0.8
67.05495	27.1
69.03408	1.6
69.07063	10.8
70.06582	4.5
71.04980	2.0
71.08610	3.5
71.59770	1.3
72.08146	100.0
79.05485	22.9
81.03420	2.2
81.07043	21.2
83.04960	2.9
83.08619	5.0
83.20945	1.0
90.09177	1.2
91.05466	20.6
93.06461	1.8
93.07027	21.7
95.04967	5.9
95.08596	15.0
97.06504	2.2
97.10150	4.2
99.08064	1.4
105.06315	0.6
105.07012	16.5
107.04929	1.7
107.08589	12.3
109.06463	1.3
109.09553	0.9
109.10155	8.6
110.85596	1.0
117.06976	5.3
119.08574	11.4
121.10140	6.9
123.11692	1.9
125.09622	3.1
128.06090	1.1
129.06981	2.9
131.08568	6.6
133.10117	9.2
135.07991	0.9
135.11664	5.3
139.03908	1.2
141.06955	1.1
143.08582	1.7
145.10104	3.8
147.11687	6.1
149.13228	2.8
151.11140	1.7
159.11717	4.8
161.13254	2.3
163.11136	1.8
170.05766	23.5
171.11620	1.3
173.11761	1.5
173.13196	2.0
179.14278	1.6
185.13206	1.1
193.12154	1.0
227.12735	2.0
227.20291	1.3
229.14330	1.5
241.19414	1.0
259.20517	3.5
275.20053	4.8
277.21582	3.0
315.23120	3.6
317.24271	1.3
333.24115	1.3
335.25784	3.5
349.23495	1.6
351.25089	1.4
489.35724	8.2
511.37503	1.1
527.37292	7.6
529.38831	10.7
591.43915	2.0
609.45062	33.2
610.45319	1.1
611.60443	1.0
627.46014	17.9
645.46783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	1.8
57.03433	9.9
59.04991	3.0
61.02915	5.7
65.03931	5.5
67.05499	61.8
68.96964	1.5
69.03421	32.5
69.07060	12.1
69.46000	3.5
69.46407	11.0
71.04986	29.5
73.02911	4.0
73.06563	1.6
79.05486	59.5
81.03416	64.7
81.07051	100.0
83.04975	19.4
83.08612	9.9
83.29285	1.6
83.90813	1.6
85.02900	18.0
85.06538	7.8
91.03945	4.0
91.05471	60.5
92.05801	1.5
93.07036	56.2
93.07621	2.9
95.04964	25.2
95.08600	30.8
97.02892	29.1
97.06524	12.7
97.10183	2.4
98.20900	5.4
98.28735	1.6
99.04428	8.2
99.08083	2.4
103.03968	1.4
103.05447	1.8
105.04546	1.7
105.07020	44.9
107.04956	14.0
107.08572	24.2
109.02865	17.3
109.06518	10.0
109.10146	11.3
111.04431	7.2
111.08061	3.7
115.05450	1.8
117.07014	16.8
119.08571	20.9
121.06492	5.5
121.10129	9.6
123.04406	4.9
123.08052	7.6
123.11678	9.1
125.09620	1.5
127.03914	17.1
128.06175	3.7
129.05476	3.8
129.06978	15.8
131.08546	16.5
133.06499	4.3
133.10098	23.5
135.08066	1.9
135.11717	5.1
137.09576	1.9
141.05473	1.7
141.06972	4.0
143.08542	11.2
145.06467	6.1
145.10107	9.5
147.08038	4.8
147.11688	22.3
149.09625	3.3
149.13222	6.3
151.11186	4.3
155.08540	3.1
155.88719	1.7
157.06476	2.1
157.10109	3.2
159.08116	3.8
159.11655	9.2
161.09602	4.2
161.13203	8.4
163.03943	2.7
165.12744	2.5
167.08604	2.1
169.10081	3.8
171.08034	2.8
171.11668	15.6
173.04474	21.1
173.05869	3.5
173.13222	5.0
175.11171	3.1
175.14822	2.5
177.12675	3.1
179.14320	1.8
181.10104	2.0
183.11638	1.7
185.13232	2.2
187.07497	1.6
187.13297	7.4
189.05527	2.0
189.12723	6.8
191.14261	2.7
193.12299	3.3
195.13841	2.5
201.14729	1.9
203.14334	2.2
207.13783	15.7
213.05478	1.7
213.12843	2.0
225.14810	8.3
229.14229	2.4
243.15950	7.1
257.17529	2.7
265.17947	3.0
267.15805	2.2
269.17496	6.4
275.20074	3.1
279.15988	3.1
281.17517	12.7
287.16354	8.4
299.18649	3.7
301.20135	2.6
315.15665	2.6
339.17926	2.5
349.16513	1.7
351.17902	2.1
389.19785	2.6
407.20560	3.2
413.21872	2.5
425.21564	4.3
428.18869	2.1
431.27808	2.6
433.29343	4.8
445.24194	2.9
447.31271	2.3
449.28983	46.4
450.29160	2.4
463.30331	6.6
475.30576	33.3
507.32941	5.6
529.31488	2.9
575.32233	2.7
593.32965	10.3
601.33630	3.7
619.34833	11.7
633.37012	2.4
651.37970	7.8
723.39545	10.4
781.40448	2.0
795.39838	2.8
813.43530	25.0
814.44971	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	811.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.8
59.04978	0.9
61.02921	5.0
67.05498	4.8
69.03429	3.9
69.07057	2.9
70.23687	1.8
71.04980	1.7
73.02922	3.7
79.05487	4.7
81.03414	5.2
81.07053	6.8
83.04984	1.1
83.08635	1.2
84.94749	0.4
85.02900	4.6
85.06543	0.9
87.04492	1.3
91.03962	2.8
91.05482	4.8
93.07039	4.0
95.04967	2.4
95.08619	3.0
97.02904	3.7
97.06534	1.5
97.10122	0.4
99.04460	0.9
101.02393	2.1
103.03958	0.4
105.07031	3.3
107.04951	0.6
107.08584	2.7
109.02865	1.0
109.06498	0.8
109.10175	1.2
110.10199	0.5
111.04485	0.5
111.08079	0.8
117.07025	0.6
119.08587	3.0
121.10130	2.0
123.11685	0.4
127.03909	1.6
129.06985	1.0
131.08585	1.9
133.10164	1.3
145.10126	0.7
147.11697	2.1
149.02367	0.6
149.09639	2.3
157.10187	1.3
171.11705	0.5
175.11235	1.3
185.04138	0.4
193.12315	1.5
197.15282	0.4
203.05302	0.8
225.14877	0.8
243.08446	4.0
267.16034	0.7
269.12448	0.9
275.20190	0.5
283.15143	3.6
301.09076	0.6
333.20416	1.9
339.17841	1.2
434.18884	0.6
439.19269	1.0
441.21478	0.6
453.21112	1.0
469.20419	1.2
470.52490	0.5
501.23044	15.5
502.23761	0.5
551.28235	7.2
573.24805	0.5
649.38757	0.6
654.73517	0.4
721.37573	0.7
811.44427	100.0
812.44800	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	811.4218
Annotation	Vinblastine
Peak:m/z	Relative Intensity
56.96566	1.6
67.05496	3.6
69.07063	1.1
71.60207	2.2
72.08157	3.9
79.05492	2.9
81.07059	3.7
83.08630	1.0
85.02915	1.2
91.05476	2.9
93.07029	2.7
95.08620	1.8
105.07037	2.5
107.08604	1.3
109.10194	1.5
119.08591	1.2
125.35050	1.1
131.00215	1.3
133.10051	1.4
149.01260	1.8
167.11766	1.0
267.09167	3.1
273.04041	2.4
285.10150	2.8
315.10684	1.3
333.17514	1.5
351.18631	1.9
473.20010	1.2
485.17191	3.5
559.63110	1.1
577.25122	1.2
641.31421	2.3
765.39191	3.0
811.42377	100.0
812.42340	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	809.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	1.1
57.03429	2.3
59.04988	0.8
59.05847	0.3
61.02927	4.4
67.05506	5.3
69.03430	4.0
69.07066	3.4
71.04992	1.8
71.60453	0.5
73.02914	4.0
76.78797	0.4
79.05493	4.7
81.03421	4.7
81.07049	5.2
83.04990	1.0
83.08633	1.5
85.02908	4.9
87.04465	0.7
89.89157	0.4
91.03951	2.1
91.05479	3.5
93.07044	3.6
95.04974	1.7
95.08593	2.1
97.02893	4.5
97.06524	1.0
97.10199	1.2
98.71456	0.4
99.04479	0.6
101.02387	2.0
105.07021	2.8
107.04922	0.7
107.08588	2.0
109.02902	1.2
109.06552	0.7
109.10170	1.4
111.04466	0.4
111.08086	0.5
117.07006	1.1
119.08605	1.6
121.06555	0.5
121.10178	2.1
125.09649	0.9
127.03914	1.5
129.07014	1.0
131.08589	1.8
133.10176	1.7
145.04933	0.6
145.10132	0.5
147.08078	0.4
147.11728	1.7
149.09616	2.5
151.11293	0.4
157.10143	1.0
159.11740	0.7
163.11256	0.5
175.11279	1.2
185.04285	0.5
193.12328	1.6
203.05487	0.5
211.13370	0.4
223.13321	1.4
233.21228	0.4
243.08429	4.8
267.15982	0.7
269.10703	1.6
269.17508	0.5
275.20099	0.5
283.15106	3.3
285.10129	0.7
287.11823	0.7
291.19653	1.8
316.11771	1.8
331.18869	1.2
339.18008	1.8
365.15448	1.0
367.18143	1.2
390.19736	0.7
422.18982	1.1
430.19312	0.5
469.20584	0.8
471.22543	2.2
471.72498	0.7
499.20490	0.4
501.23105	13.2
505.14496	0.5
549.26672	6.6
562.38171	0.5
809.42871	100.0
810.43451	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	809.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.0
59.04979	0.9
61.02925	5.2
67.05510	4.8
69.03429	3.4
69.07067	2.0
71.04985	3.0
73.02916	3.3
79.05486	3.7
81.03410	5.2
81.07058	6.0
83.04979	1.7
83.08620	1.6
85.02899	5.5
85.06529	1.0
87.04474	0.9
91.03944	3.1
91.05484	5.6
93.07050	3.7
94.27568	0.4
95.04984	2.9
95.08595	3.3
97.02886	4.2
97.06505	1.3
101.02399	2.1
105.07036	3.3
107.04951	1.4
107.08558	2.5
109.02876	1.3
109.06511	1.2
109.10157	1.1
111.08054	0.9
115.03941	0.8
117.06951	0.6
119.08585	2.2
121.06487	0.5
121.10159	2.5
127.03934	1.8
129.06966	0.8
131.08528	2.4
133.10094	3.6
135.08105	0.5
135.11702	0.9
143.08560	0.5
145.10219	0.6
147.11638	2.2
149.09607	3.1
151.11136	0.7
157.10133	1.6
165.12807	0.8
175.11281	1.4
185.04256	0.8
189.00613	0.6
193.12253	3.0
225.14908	0.9
243.08389	3.6
267.15851	0.7
283.15170	2.9
313.17822	1.0
315.87469	0.5
331.18802	2.3
339.18097	1.2
357.15512	0.6
368.74652	0.5
411.34421	0.5
451.19363	2.4
469.20361	0.5
501.23041	16.1
531.25745	1.7
549.26758	2.4
573.25104	2.0
582.36084	0.5
639.29846	0.9
711.35706	2.4
740.36670	0.6
791.42035	10.3
809.42773	100.0
810.42792	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	808.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	13.1
67.05487	86.2
69.07055	22.6
71.04972	7.3
72.08129	22.8
79.05482	76.7
81.07047	99.7
83.08605	10.0
91.05481	67.6
93.07037	100.0
95.04959	16.7
95.08598	95.8
98.21547	12.9
98.41480	7.7
105.07011	75.9
107.08571	34.8
109.06535	8.1
109.10131	31.8
117.07000	23.3
119.08596	45.3
121.10155	41.9
129.06989	9.5
131.08530	28.3
132.97339	8.2
133.10110	47.5
135.11664	29.8
143.08589	12.3
145.10115	23.9
147.11653	30.5
149.13258	14.5
156.42262	6.9
157.10124	15.6
159.11673	21.6
161.13228	22.3
171.11618	15.9
173.13223	19.5
175.14877	12.6
181.42914	7.7
185.13252	9.5
186.59729	7.5
201.26955	7.4
229.36514	8.3
241.19522	21.3
257.18802	12.3
259.20578	61.2
302.18686	9.5
333.24118	44.7
335.25702	88.2
611.46606	63.5
783.37085	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	807.128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	41.1
61.89972	0.6
62.18913	0.5
62.19886	0.5
70.84024	1.4
74.97601	9.8
76.31000	0.5
78.82098	0.5
84.96026	7.6
86.97576	1.5
92.98642	1.3
97.96768	0.8
98.97569	1.0
102.97060	1.6
103.69259	0.5
114.97134	1.4
115.97871	0.9
116.98579	1.1
120.98149	0.6
132.98070	5.1
147.01227	1.0
150.99139	31.2
165.02170	0.8
168.00948	0.7
169.00209	22.6
169.01675	1.4
170.99673	0.8
174.00728	1.1
175.00740	1.8
181.01691	2.0
183.03299	3.6
185.01247	1.6
187.02788	1.2
192.01910	0.7
193.01726	41.6
195.04959	1.2
197.01205	1.2
198.99059	0.6
199.02663	0.6
201.04353	5.3
203.02310	3.0
205.01797	0.9
208.99667	3.5
211.02769	100.0
213.00723	1.6
218.99611	1.2
219.05434	0.6
221.03123	0.7
222.99197	2.8
223.02716	4.3
223.04634	1.0
225.04219	1.0
227.02399	3.4
229.03822	7.7
233.01425	0.8
234.04372	2.8
237.00587	2.9
239.02255	1.2
241.00111	0.9
241.03900	4.5
245.03310	8.7
251.02272	8.8
255.01735	24.2
257.03271	1.7
267.01743	2.1
269.03299	15.5
273.02811	10.0
285.02948	2.8
287.04315	4.1
295.01178	15.1
297.03073	0.8
299.05957	0.6
309.02838	3.1
311.06061	1.5
313.02277	45.6
317.06924	1.9
327.04041	2.2
329.07001	1.6
331.03351	16.2
336.03940	3.2
339.05539	0.8
355.04904	0.6
357.06461	3.0
371.02844	23.8
375.07248	1.0
385.06003	0.9
389.03815	4.8
399.03775	7.6
401.05167	0.8
403.07233	1.0
412.05426	1.1
413.05423	9.2
417.04919	14.0
427.06934	1.1
431.06512	4.5
435.05884	4.7
440.06430	0.8
475.05405	19.6
489.07019	6.0
493.06531	9.0
507.09247	0.6
519.10034	0.7
533.06116	0.7
535.07428	0.5
551.07117	27.2
709.63702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.3
57.03429	21.9
57.07072	3.6
59.04999	3.3
61.02916	6.5
65.03932	4.6
67.05499	98.9
68.05807	2.4
69.03409	16.4
69.07065	36.1
71.01325	2.3
71.04987	18.3
71.60288	2.6
71.60738	3.5
73.02900	4.2
74.02761	2.4
79.05491	83.2
79.86652	2.5
81.03416	71.3
81.06571	4.9
81.07053	100.0
83.04978	28.8
83.08610	41.8
83.09050	4.1
85.02895	28.6
85.06542	8.4
87.04475	2.6
88.54263	2.2
91.03927	3.1
91.05474	78.6
93.07034	64.2
95.04962	51.1
95.08595	38.2
97.02895	14.8
97.06520	28.7
97.10166	19.4
99.08073	4.7
103.05511	3.0
105.07019	58.4
107.04934	21.0
107.08593	41.0
109.02869	3.9
109.06518	20.5
109.10147	38.8
111.04440	11.7
111.08089	20.5
113.06016	4.1
115.05450	4.9
116.04702	3.4
117.06999	20.8
119.04964	3.3
119.08566	41.9
121.06511	7.2
121.10132	26.7
123.04403	4.6
123.08061	15.9
123.11720	5.9
125.09619	14.7
127.03926	4.6
128.06168	2.7
129.05478	9.3
129.07001	20.3
131.04875	3.0
131.08566	36.0
133.06448	6.3
133.10118	33.0
135.08075	9.1
135.11676	11.4
137.09592	11.0
139.11258	2.6
141.06966	3.3
142.07753	3.8
143.08566	9.2
145.06477	5.3
145.10117	19.1
147.08044	8.6
147.11674	25.5
149.09601	17.8
149.13289	10.5
149.42531	2.4
151.11160	3.8
153.09142	3.6
155.08542	5.7
157.08856	3.3
157.10135	21.8
159.07982	2.6
159.11710	9.9
161.09612	6.5
163.11198	10.4
165.09106	4.4
165.12778	5.8
171.10146	3.4
171.11702	5.8
173.09576	3.6
173.11784	7.2
175.11160	20.1
177.12764	6.1
181.12192	3.6
183.11612	2.1
185.13297	3.6
187.11238	2.6
189.11198	11.6
191.10585	2.6
193.12227	44.8
193.13853	4.4
195.13850	4.4
197.13165	2.7
211.13254	51.6
211.15221	2.9
227.12723	17.2
227.17874	2.7
229.14302	15.2
257.19064	7.4
267.15912	33.6
269.17505	13.5
271.17203	3.3
272.20026	2.6
273.18451	13.2
275.19986	16.5
283.15375	6.0
285.10004	3.0
285.16946	45.9
289.18088	4.6
291.19473	19.9
293.21048	3.0
299.14902	4.8
301.16388	14.1
322.12305	2.6
347.22189	4.9
349.23703	14.9
365.23151	10.1
369.23828	2.6
399.23730	2.8
413.21774	5.7
421.25974	6.3
439.26874	34.3
443.28006	5.6
447.27408	4.9
461.28845	31.7
471.46793	2.4
479.29996	80.1
480.30057	2.8
493.27878	4.0
541.34991	11.0
557.34949	3.7
559.36090	16.5
573.33759	6.0
574.35767	3.4
575.35632	5.1
587.32343	2.9
591.36133	7.9
605.33270	4.4
609.36115	7.6
623.34418	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	806.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	19.3
57.07077	1.9
59.04980	1.9
61.02920	3.2
65.03944	2.9
65.57618	1.6
67.05502	75.4
69.03424	10.4
69.06712	2.8
69.07064	36.9
71.01361	1.7
71.04993	10.8
79.05489	66.0
81.03414	100.0
81.07052	80.5
83.04974	17.2
83.08622	33.9
85.02900	6.3
85.06541	5.9
91.05477	62.1
93.07039	60.8
95.04367	3.0
95.04966	43.0
95.08598	30.6
97.02892	5.5
97.06528	19.3
97.10164	23.1
98.20746	2.5
99.04494	1.7
99.08096	4.7
103.05449	1.7
105.07024	53.0
107.04963	16.3
107.07866	2.4
107.08586	45.5
109.02849	1.9
109.06510	12.7
109.10147	22.7
111.04443	3.5
111.08061	12.0
115.05508	3.4
116.39682	1.6
117.07010	20.5
118.95085	1.7
119.04920	2.8
119.08585	39.9
121.06500	12.3
121.10128	20.4
123.04430	2.4
123.08078	7.6
123.11708	5.2
125.09624	19.7
127.03916	2.1
128.06194	3.5
129.06984	20.4
131.08569	36.7
133.06506	6.4
133.10130	30.3
135.08061	6.7
135.11691	15.7
137.09636	7.5
141.07024	3.8
142.07741	4.7
143.08556	10.2
144.05582	1.9
145.06499	4.5
145.10112	18.4
147.08041	7.8
147.11687	19.0
149.09616	16.1
149.13246	7.8
151.11188	4.9
153.09142	4.0
155.08569	5.1
157.10117	19.4
159.08084	3.4
159.11658	13.2
161.09657	4.1
161.13280	4.7
163.11163	12.5
165.12790	4.2
167.08568	2.1
169.10159	5.2
171.07974	2.2
171.11702	7.1
173.04495	2.1
173.09608	3.8
173.11893	2.6
173.13272	5.8
173.47728	1.7
175.11198	13.4
175.14832	1.8
177.12750	5.7
181.12227	2.9
183.11693	4.3
185.09663	1.9
185.13243	5.0
187.11217	3.1
187.14880	2.5
189.11230	8.5
189.12794	2.5
191.10670	2.0
191.14136	1.8
193.12238	27.0
195.11726	1.8
195.13812	4.0
197.13269	3.2
199.11147	1.9
199.14839	2.3
201.12775	1.9
203.14346	3.3
207.13733	1.8
209.11658	2.3
211.13239	3.4
217.15915	2.8
223.13240	2.2
225.12842	2.6
225.14859	2.4
227.12762	18.2
229.14375	4.8
245.13840	3.9
249.14929	5.5
253.14444	3.6
255.15944	17.5
257.15866	1.5
257.18921	7.4
267.15897	91.6
269.17487	29.5
273.18564	2.2
273.44928	1.8
275.20087	31.9
285.16968	2.5
285.89844	1.5
291.19586	6.9
293.21167	3.7
297.22021	1.9
299.19998	1.8
301.14069	2.6
313.21628	1.9
331.22623	1.9
340.41202	1.5
349.23764	28.2
351.22797	1.6
367.24762	6.4
369.24265	5.8
387.25327	4.6
403.24954	2.9
421.25864	6.3
435.27493	4.2
437.25308	3.7
443.27847	10.2
447.27399	34.2
448.27765	1.7
449.30121	5.6
459.27271	4.0
461.28964	86.6
462.29410	3.3
467.31665	4.8
475.30316	2.4
477.28043	3.3
479.30118	2.7
485.33109	2.4
493.31610	13.8
501.32019	2.4
523.34082	4.6
539.31696	1.8
541.35211	72.5
542.35699	3.8
559.36230	25.4
569.30487	3.0
582.58789	1.6
583.36713	2.2
591.37909	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	806.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	12.9
57.07073	4.7
59.04989	8.6
61.02909	6.1
65.03941	5.0
67.05503	100.0
68.05829	2.4
69.03424	7.7
69.07066	36.1
70.23846	6.2
71.04991	33.4
73.02910	3.7
79.05121	1.2
79.05489	49.5
81.03419	13.2
81.07056	96.6
83.04990	10.3
83.08610	10.7
85.02901	5.7
85.06538	6.0
87.04456	7.9
89.06030	3.3
91.05482	52.7
93.07040	47.7
95.04971	14.1
95.08607	41.0
97.02885	6.0
97.06521	14.1
97.10169	8.8
99.04433	5.5
103.05459	3.1
105.07018	38.0
107.04946	8.2
107.08603	27.3
109.02917	3.5
109.06490	7.1
109.10162	36.0
111.08070	4.5
117.07001	13.1
119.08575	29.1
121.06498	5.0
121.10149	18.5
123.08091	6.8
123.11713	12.7
123.97629	2.1
125.09641	6.9
127.03926	3.4
129.05484	2.9
129.06999	6.6
131.08554	18.9
133.08611	3.8
133.10130	34.9
135.08034	3.9
135.11713	11.8
137.09590	9.4
143.08592	5.8
145.10126	11.4
147.08101	3.3
147.11684	14.2
149.09604	16.2
149.13258	6.7
151.11189	8.1
155.10623	3.7
157.10120	6.0
159.11717	12.1
161.09685	2.3
161.13242	3.9
163.11179	5.3
169.10159	2.8
169.12259	2.3
171.11650	7.0
173.11736	6.7
173.13258	5.6
175.11172	4.7
177.12764	3.7
183.11792	3.1
183.13815	6.6
185.13213	3.1
187.13290	7.2
189.11317	2.3
189.12807	2.5
193.12379	2.9
199.15103	2.4
199.16956	8.6
225.14897	4.3
227.12738	6.1
229.14406	14.1
241.19438	2.2
243.15927	3.9
257.17215	2.2
259.20590	3.0
267.15915	7.6
269.17438	8.0
273.18591	2.4
275.20108	14.7
285.17029	4.4
291.19547	5.5
301.20081	13.3
333.24261	4.5
343.78378	1.9
349.23740	12.5
353.23224	2.4
367.24835	2.6
373.54840	2.6
397.25620	12.6
403.28342	2.4
411.27448	6.5
423.27274	2.3
455.29736	9.4
517.35223	25.8
531.36401	2.3
533.34595	6.0
543.36670	11.8
559.35510	2.4
575.39740	10.5
807.40259	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	806.452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03179	2.1
57.03434	24.4
57.07077	2.3
58.37460	1.2
59.04983	4.6
61.02917	6.8
65.03925	4.0
67.05501	100.0
69.03431	7.1
69.07063	20.0
69.71343	1.0
71.01342	1.9
71.04986	10.9
71.59116	2.0
71.59486	1.5
72.08163	2.3
73.02903	3.1
79.05488	45.3
81.03413	75.7
81.06570	2.9
81.07053	59.8
82.03725	2.2
83.04975	23.4
83.08612	33.2
85.02422	2.6
85.02901	36.3
85.06550	6.1
87.04446	3.7
91.03919	1.9
91.05476	50.0
93.07039	36.3
95.04961	35.8
95.08600	20.2
97.02885	10.1
97.06510	10.5
97.10167	18.5
99.04474	2.5
99.08081	2.8
99.80917	1.2
104.47073	1.2
105.07023	33.7
105.55028	1.1
107.04943	12.3
107.08585	20.6
109.02846	1.1
109.06534	8.3
109.10148	73.6
110.10509	1.4
111.04432	5.5
111.08075	14.4
113.05994	2.0
115.05476	1.7
117.07001	5.2
119.04992	1.3
119.08574	28.5
120.08805	1.2
121.06475	3.9
121.10148	14.7
123.08068	6.2
123.11663	3.4
125.09599	15.4
127.03842	1.6
127.07629	1.2
128.06206	1.6
129.05452	5.1
129.06992	15.1
131.08560	19.4
133.06473	4.6
133.10126	21.2
134.10442	1.5
135.08069	2.3
135.11668	5.4
137.09636	5.9
142.07764	3.4
142.29996	1.3
143.10649	2.1
145.06442	1.5
145.10120	8.6
147.08034	4.3
147.11681	18.5
149.09596	9.2
151.11156	2.1
153.12706	3.1
155.08562	1.6
155.10654	3.1
157.10112	18.4
163.11154	9.9
165.12755	2.9
173.09521	1.7
173.11726	21.0
175.11192	18.9
181.12189	4.3
183.11639	1.3
188.39613	1.3
189.11285	1.4
191.10683	3.3
192.10947	1.2
193.09549	1.5
193.12230	60.9
199.13289	8.2
209.11732	6.7
211.13275	79.8
227.12762	8.1
229.14349	49.9
249.14880	1.9
250.60561	1.4
253.14421	3.8
265.14374	1.4
267.15857	29.4
268.16153	1.4
269.17416	2.1
273.18555	1.8
283.15494	5.7
285.16937	52.8
291.19376	2.1
301.16446	13.1
365.22900	1.8
399.23767	17.7
409.25760	3.5
421.25531	12.4
427.26694	2.7
439.26904	36.5
461.28537	1.9
463.73169	1.4
472.72607	1.4
475.26895	2.4
493.27863	5.0
511.28976	8.6
529.29773	1.5
541.35156	1.7
543.36566	1.8
558.34534	1.7
559.35486	4.9
591.34729	1.6
609.36316	33.9
633.97083	1.3
807.40930	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99218	1.3
57.03436	24.4
57.07059	3.2
59.05005	2.0
61.02912	3.9
65.03936	3.3
65.48476	1.3
67.05499	87.6
69.03432	10.2
69.07066	29.4
70.27988	1.5
70.28327	5.8
71.01340	4.4
71.04987	12.1
73.02911	4.9
77.03947	1.3
79.05491	70.4
81.03413	66.8
81.07053	100.0
83.04530	2.5
83.04980	23.7
83.08617	33.5
85.02896	26.2
85.06531	7.0
87.04469	2.6
88.55295	1.3
91.03957	1.8
91.05474	67.7
91.27528	1.4
93.07040	55.5
93.07625	2.8
95.01271	1.7
95.04962	43.5
95.05552	2.8
95.08606	29.9
97.02892	14.9
97.06524	19.3
97.10169	25.5
98.07345	2.3
99.04483	3.1
99.08066	3.2
103.05486	2.1
104.22929	1.3
105.04543	2.0
105.07027	50.1
106.07767	1.5
107.04947	19.0
107.08586	39.1
107.09283	3.0
109.02850	1.3
109.06519	19.1
109.10152	32.4
111.04436	7.7
111.08082	17.7
113.05967	3.4
115.05494	3.7
115.07594	1.5
116.04713	6.2
117.07020	19.1
119.08582	41.0
121.06499	12.3
121.10131	23.0
121.10913	2.2
122.07343	1.5
123.04465	4.9
123.08063	15.6
123.11722	5.4
125.06022	1.5
125.09629	23.6
127.03886	2.3
127.11194	1.8
128.06227	3.2
129.05498	15.1
129.06976	16.9
131.04967	2.4
131.08557	29.7
133.06483	8.5
133.10121	30.2
135.08051	11.5
135.11674	13.5
137.09613	10.4
139.07556	2.7
139.11192	3.3
142.07780	4.3
143.07016	3.1
143.08559	8.1
145.06506	3.8
145.10104	18.9
147.08046	12.5
147.11681	23.4
149.09602	16.4
149.13258	5.7
151.07439	1.4
151.11189	3.3
153.09108	8.6
153.12732	2.9
155.08549	2.9
155.10646	1.8
157.08624	5.4
157.10143	21.4
159.08064	3.3
159.11641	9.8
161.09583	6.5
161.13280	3.1
163.07593	2.6
163.11180	14.1
165.09122	3.6
165.12790	4.8
169.10175	2.2
171.08047	2.0
171.10172	4.2
171.11702	4.6
173.09647	3.6
173.11754	8.5
173.13208	2.9
175.11186	19.5
175.12582	2.6
177.12747	5.6
181.12206	4.3
183.11662	1.6
185.13223	2.5
187.11206	2.7
187.14830	2.0
189.11185	15.5
189.12712	2.4
191.10735	3.8
193.12234	48.5
195.13815	2.8
199.11487	1.6
199.13286	5.2
200.14113	2.3
205.12292	1.5
209.11761	3.9
211.13275	60.6
217.15927	2.0
223.13231	2.9
227.12740	22.7
227.17889	2.6
229.14316	13.5
231.13980	1.5
233.88315	1.3
235.13246	1.6
239.18007	1.4
245.18988	3.0
249.14743	1.7
257.18976	3.7
267.15891	33.8
269.17407	8.1
270.86853	1.4
273.18506	20.4
275.20050	15.9
281.17426	1.7
283.15433	6.7
283.18436	1.3
284.16351	1.4
285.16931	41.1
285.61670	1.6
289.18060	4.4
290.18719	1.8
291.19507	36.1
299.15036	2.0
301.16452	22.6
307.19131	2.2
309.20621	3.5
329.21283	1.3
347.22083	7.5
349.23669	7.4
363.21634	2.2
365.23190	13.6
381.22495	3.3
383.24283	6.0
399.23688	11.3
413.21567	3.3
421.25809	3.5
437.24963	1.5
439.26981	22.5
443.27667	2.9
447.27249	2.8
461.29044	26.4
479.30017	57.4
505.27548	1.5
539.33832	2.0
541.35413	8.2
557.34583	8.5
559.36230	14.8
573.34283	4.0
574.34497	2.4
575.35834	8.0
591.34839	17.3
605.33502	2.5
609.36395	22.7
623.34155	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	805.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	22.5
57.07074	2.3
65.03918	7.3
67.05502	91.0
69.03436	2.7
69.07062	12.5
69.89713	5.5
69.90123	3.7
71.04979	4.1
77.78797	1.6
79.05057	2.8
79.05492	52.9
79.05961	2.9
81.03414	3.6
81.06572	3.1
81.07055	63.6
81.93640	1.5
83.04960	5.4
83.08605	10.3
85.06521	11.4
91.05473	37.1
93.07034	48.5
95.04964	62.8
95.08596	40.3
97.06540	6.9
105.04561	1.8
105.07021	28.2
107.04946	11.0
107.08595	31.4
109.06509	58.1
109.10140	11.1
111.08064	3.5
113.06005	25.3
115.05479	2.9
117.07014	15.0
118.99778	1.8
119.08550	19.9
121.06496	10.1
121.10116	16.1
123.08054	5.8
123.11728	3.1
125.09605	2.8
128.06224	2.2
129.07002	6.2
131.08571	20.3
133.06447	3.1
133.10126	13.3
135.08038	40.7
135.11685	14.5
137.05977	2.6
137.09555	2.9
143.08556	8.0
145.10091	12.6
147.08037	7.6
147.11679	7.3
149.09607	5.0
149.13274	4.7
157.10100	5.9
159.08089	2.9
159.11685	7.5
161.09639	7.8
161.13261	3.7
163.11169	5.1
163.33980	2.0
171.11714	5.5
173.13223	4.3
174.71965	1.7
175.11192	2.7
177.12746	3.6
179.14214	2.1
183.11682	2.2
187.14822	2.4
199.14799	3.4
217.15854	11.8
223.13365	1.9
227.12732	1.8
233.15384	3.5
237.16342	2.6
255.17526	4.0
273.18481	36.0
275.20041	2.3
277.21851	3.1
291.19531	100.0
309.20428	2.9
335.25772	87.5
336.26221	3.4
347.22256	10.7
351.25369	2.3
365.23322	14.0
480.31009	1.9
567.40515	3.4
607.43579	12.8
625.44635	72.3
626.44220	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	805.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53877	2.1
57.03439	20.7
58.11109	2.0
61.97123	2.1
64.91776	1.9
65.03927	3.9
67.05502	70.0
69.03413	2.9
69.07071	12.3
69.27576	21.1
71.04984	4.2
79.05491	45.2
81.03412	2.7
81.07053	51.5
83.04955	4.4
83.08615	5.9
85.06553	11.4
91.05475	33.9
93.07047	43.1
95.04962	58.3
95.08601	32.7
97.06525	6.6
97.10120	2.5
98.20750	3.4
103.05462	2.4
105.07019	24.4
107.04953	9.7
107.08596	25.9
109.06513	60.8
109.10159	12.5
111.08049	5.3
113.06007	27.0
115.05445	2.8
116.09383	1.9
117.07018	16.1
119.08577	13.2
121.06491	6.1
121.10159	12.5
123.08047	2.8
123.11709	3.0
128.06161	2.2
129.07018	6.4
131.08575	16.2
133.06528	2.7
133.10147	14.1
135.08054	39.2
135.11661	9.4
137.06049	2.2
137.09599	3.1
140.68843	2.0
141.07036	2.1
142.07726	2.1
143.08554	6.7
145.10115	9.5
147.08049	6.9
147.11641	3.9
149.09642	5.7
149.13228	3.5
157.10107	5.0
159.07996	2.2
159.11694	8.3
161.09636	7.1
161.13292	4.0
163.11209	2.5
171.07877	2.2
171.11769	2.9
172.12517	2.0
173.09618	3.7
173.13245	4.2
175.11246	3.3
177.12703	3.2
187.11072	2.1
199.10992	2.2
199.14659	3.0
201.12823	2.4
217.15910	11.2
233.45596	1.8
255.17372	3.1
261.22076	2.9
273.18475	38.0
291.19531	100.0
335.25806	77.4
347.22150	12.7
365.23181	13.6
484.80139	2.5
490.19305	2.3
607.43628	12.4
625.44617	62.5
626.45306	3.0
814.03650	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	805.509
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82732	2.0
57.03436	20.8
57.07060	3.6
65.03935	5.6
67.05501	70.1
69.03421	4.5
69.07064	12.3
71.08633	3.3
71.59959	2.1
79.05486	35.1
81.03419	4.1
81.07054	46.3
82.38343	1.9
83.04990	3.4
83.08606	8.9
85.06541	9.8
86.06785	1.9
86.64374	2.0
91.05478	34.6
93.07041	36.7
95.04965	48.2
95.08598	32.9
97.06525	7.6
97.10151	3.0
103.77678	2.2
105.07044	21.5
107.04958	8.9
107.08585	24.3
109.06520	57.5
109.10160	11.9
111.08075	2.3
113.05996	27.4
115.05418	3.6
117.07013	15.4
119.08576	14.8
121.06491	4.4
121.10163	12.7
123.08055	2.5
123.11696	2.4
129.06981	8.1
131.08554	18.7
133.06502	4.9
133.10141	11.2
135.08055	39.4
135.11685	11.8
143.08545	7.1
145.10056	11.6
147.08006	5.2
147.11711	4.0
149.09602	5.1
149.13278	4.6
157.10205	6.3
159.11676	6.6
161.09604	8.0
161.13240	2.9
163.11171	2.7
171.11664	5.0
173.13234	3.5
175.11169	3.7
177.12773	3.2
185.13292	3.7
199.14900	2.7
205.12366	2.2
217.15820	15.3
219.13770	2.8
233.15384	3.2
255.17188	2.9
273.18469	36.4
275.20120	5.1
275.23355	2.1
279.15939	3.4
283.01929	4.9
291.19531	100.0
291.53244	2.2
292.19943	2.6
309.20529	4.7
335.25739	44.5
347.22208	5.7
365.23215	15.8
416.27475	2.6
545.38141	5.4
607.43555	17.8
625.44635	59.4
732.26501	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	805.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81806	0.7
69.03429	1.1
69.46596	5.9
69.60702	0.6
85.02897	1.9
97.02915	1.3
119.01931	1.1
120.95473	1.1
127.03913	1.2
131.01909	1.2
138.53600	0.6
138.96428	1.1
143.01848	1.0
145.03476	0.8
156.97493	3.1
161.02934	1.5
173.02937	2.0
174.98537	8.0
180.97423	6.0
185.02948	2.3
186.38454	0.7
197.03044	1.2
198.98534	100.0
199.98686	1.5
201.00018	1.1
203.04070	1.0
210.98537	3.5
213.00136	2.1
215.04083	0.9
216.99593	50.2
217.99911	1.5
222.00070	2.6
222.98480	1.7
225.00018	1.5
225.42278	0.7
228.99611	10.9
234.98444	3.6
240.01294	0.9
240.99599	14.0
245.05055	5.4
247.00616	3.0
252.99628	2.9
259.00687	10.8
263.06082	1.5
277.01685	4.1
283.00601	9.3
289.08209	0.9
292.01190	1.0
301.01660	28.4
301.51907	0.8
319.02740	11.7
333.05536	0.8
342.04218	1.3
373.03867	1.1
382.04230	2.1
463.06970	60.0
464.07120	1.9
481.08063	3.2
596.12939	0.7
619.97247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	10.2
57.07059	1.0
59.04992	0.6
65.03941	1.2
67.05501	28.5
69.03426	9.5
69.07064	21.8
71.04990	3.1
79.05488	25.6
79.07610	0.7
81.03413	60.1
81.06569	1.3
81.07050	24.8
83.04974	5.5
83.08612	16.4
85.02890	2.0
85.06522	1.7
91.05474	27.7
93.07037	18.1
95.04964	22.6
95.08599	11.2
97.02882	10.0
97.06535	4.7
97.10164	11.7
99.04469	0.7
105.07024	21.4
107.04945	11.6
107.08588	14.5
109.06502	5.0
109.10145	9.1
111.04429	2.0
111.08081	5.2
111.17338	0.6
115.05423	1.0
117.07004	7.0
119.04948	2.2
119.08575	16.4
121.06471	4.9
121.10141	8.9
123.04399	1.3
123.08076	4.7
123.11739	1.3
125.09608	9.5
128.06210	1.0
129.07004	10.8
131.08562	13.2
133.06508	5.1
133.10127	8.8
134.07280	1.0
135.08044	3.7
135.11667	2.5
137.09627	3.6
142.07813	1.8
142.14926	0.7
143.08553	3.7
145.06468	1.8
145.10117	5.8
147.08026	7.3
147.11716	6.9
149.09610	6.2
149.13254	1.9
151.11163	2.5
153.09087	1.6
153.12732	0.8
155.08580	1.0
157.10121	8.4
159.08055	1.2
159.11702	3.0
161.09647	2.4
162.10394	1.0
163.11212	2.5
165.09084	1.1
165.12729	1.2
169.10098	0.7
169.12248	0.8
171.10262	0.7
171.11688	1.6
173.13287	0.9
175.11201	6.7
177.12753	1.5
185.13216	1.3
187.11230	1.4
187.13004	0.9
189.11232	3.9
189.12727	0.8
191.10629	0.7
193.12227	12.1
193.13828	1.0
195.13808	1.1
199.11203	0.7
205.12273	1.9
211.13307	2.7
213.12749	0.7
219.13774	3.4
221.80840	0.8
223.13283	14.6
227.12712	6.4
227.17862	1.1
231.17340	0.8
233.15248	1.0
245.19057	1.1
249.14856	4.3
253.14296	4.5
267.15894	73.9
268.16187	1.0
273.18506	9.9
291.19519	72.5
292.19916	1.2
301.14343	1.4
313.21658	2.5
315.19604	1.2
333.88315	0.7
346.66479	0.7
347.22168	2.1
365.23199	44.5
366.23633	1.4
367.22644	1.2
385.23749	1.1
389.23090	1.4
414.94785	0.7
437.25266	0.8
441.66467	0.7
445.25739	5.3
447.29144	1.1
459.27542	4.9
463.26862	1.7
465.30023	1.9
477.28583	3.8
483.31070	1.9
531.32776	1.0
539.33557	7.0
549.33844	1.0
557.34705	100.0
558.35138	3.3
575.35883	2.7
599.36206	0.9
607.38373	1.1
793.72437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	8.2
57.07087	1.5
61.02928	1.5
65.03935	3.6
67.05504	53.6
69.03421	5.2
69.07066	15.3
71.04993	5.5
71.12250	2.1
73.02911	1.5
79.05490	36.5
81.03418	64.3
81.07055	50.7
82.07404	1.7
83.01332	1.1
83.04984	12.5
83.08620	15.5
85.02913	3.3
85.06560	4.5
91.05479	51.1
93.07040	31.0
95.04965	25.7
95.05550	1.6
95.08605	20.4
97.02903	4.1
97.06521	6.4
97.10185	3.1
99.04442	1.8
104.45692	0.9
105.07024	42.2
107.04949	11.6
107.08592	31.0
109.06507	9.4
109.10152	39.7
111.04435	2.8
111.08089	7.3
113.06007	2.0
113.09619	1.1
115.05460	2.8
117.06992	7.4
119.04956	1.8
119.08582	20.8
121.06508	8.2
121.10115	9.1
123.04440	2.5
123.08081	3.8
123.11692	7.7
125.09632	3.7
127.07576	2.6
128.06203	1.5
129.06989	8.8
131.05014	1.0
131.08571	15.7
133.06499	5.9
133.10127	54.5
134.10445	1.4
135.08095	5.1
135.11652	4.9
137.09569	2.3
139.07622	1.3
139.69405	1.0
141.06943	1.2
142.07765	1.5
143.08543	5.4
145.06471	1.9
145.10132	6.6
147.08023	5.1
147.11685	9.0
149.09618	7.3
151.11171	22.3
153.12698	0.9
157.10126	10.2
159.08102	1.8
159.11710	5.6
161.03770	0.8
161.09637	6.4
161.13280	1.7
163.11186	4.9
165.09085	1.3
165.12827	1.5
169.10149	1.8
169.12256	4.0
171.11720	2.8
173.09654	2.1
173.11760	1.1
175.11169	10.2
177.09171	1.2
177.12738	1.9
179.10692	3.6
185.13283	2.6
187.11255	1.6
189.12785	1.8
193.12227	19.2
205.12279	2.2
209.13364	0.9
215.12729	2.1
223.13194	1.4
227.12869	3.8
227.17989	1.4
229.14412	2.1
245.19095	3.9
249.14890	2.2
251.12865	2.0
253.14343	100.0
254.14633	1.9
263.20078	3.6
267.15909	66.5
268.16409	1.3
273.18494	15.1
275.20026	1.5
283.15591	1.9
287.20084	8.4
291.19537	24.0
292.19846	1.1
309.20645	3.3
343.22775	1.6
347.22150	6.5
349.23834	1.5
365.23199	30.4
371.22110	3.1
389.23190	3.4
403.24667	1.6
421.25909	1.7
445.25861	20.2
447.29010	1.8
461.25439	2.9
463.26874	25.9
465.30093	5.2
475.27011	1.2
483.30811	3.1
539.33673	18.3
540.33771	1.4
557.34741	83.0
558.34869	3.5
575.35620	4.1
607.36340	1.2
624.43372	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	803.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	21.6
58.06589	5.6
60.74969	3.5
61.02924	15.1
65.03938	6.1
67.05501	100.0
69.03437	24.0
69.07067	42.5
70.15293	18.6
71.04973	11.4
73.02895	4.9
76.93464	4.2
79.05489	78.3
81.03419	35.2
81.07053	80.1
81.67284	4.3
82.43163	3.7
83.04964	13.1
83.08619	42.9
85.02914	20.7
85.06522	7.7
91.03964	5.5
91.05477	88.3
93.07040	72.9
95.04957	19.2
95.08610	65.0
97.02885	17.6
97.06531	14.9
97.10162	32.8
99.08071	5.0
105.07020	63.9
107.04941	15.7
107.08595	44.5
109.06522	12.8
109.10163	32.8
111.08080	10.9
115.05442	6.3
117.06465	3.3
117.07043	33.5
119.08577	66.0
121.06512	13.4
121.10136	30.2
123.08061	16.0
123.11729	8.4
125.09599	33.3
127.03890	8.6
128.06201	6.3
129.07004	28.5
131.08566	49.5
133.06461	5.8
133.10110	35.8
135.08058	14.7
135.11693	19.8
137.09622	8.6
141.06918	8.2
142.07716	5.0
143.08563	20.4
145.10124	38.9
147.08102	4.8
147.11678	28.4
149.09645	14.2
149.13274	5.2
151.11174	4.1
155.08559	13.5
157.10132	27.1
159.08040	4.7
159.11726	31.2
161.09610	5.8
161.13286	19.0
163.11131	6.2
167.08566	7.6
169.10123	16.5
171.10352	4.7
171.11597	20.0
173.09685	6.3
173.13263	17.2
175.11234	5.0
175.14856	5.1
177.12741	5.9
179.14227	4.4
181.10120	8.7
183.10138	4.8
183.11665	16.4
185.13271	18.5
187.14793	6.2
189.11183	15.9
189.12724	4.6
193.10243	5.7
193.12254	10.8
195.11676	11.4
197.13229	11.1
199.14862	7.6
207.11700	7.3
209.13206	8.0
211.13205	6.3
211.14972	4.9
213.16379	5.4
221.13293	4.2
225.16393	6.9
227.12737	20.6
239.17964	6.9
241.19536	10.8
245.19073	4.3
257.19034	11.0
259.20621	17.2
267.15973	10.5
273.18472	10.1
275.20108	34.3
289.17944	5.7
291.19467	34.6
293.21564	4.1
301.21729	6.2
333.24136	17.1
335.25833	14.7
349.23868	8.6
365.23175	14.2
379.30496	5.8
451.32263	5.8
513.35815	7.6
525.35504	10.1
529.35278	8.7
531.38428	4.8
543.36694	15.8
549.39252	9.0
605.41931	19.3
623.43060	82.2
635.34186	4.8
641.43842	33.5
674.77350	4.1
690.74115	4.9
780.22058	4.4
785.48584	6.8
803.48492	7.8
834.87543	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	20.1
57.07058	2.7
59.04988	1.8
61.02903	7.0
65.03915	7.3
67.05498	96.1
69.03419	10.1
69.07059	24.2
71.04969	7.4
73.02903	3.1
77.32884	1.7
79.05486	62.3
81.03413	16.4
81.07047	69.0
83.04983	9.6
83.08592	10.3
85.02876	8.1
85.06537	13.5
91.03985	2.5
91.05468	72.6
93.07039	62.7
95.01299	2.3
95.04353	3.6
95.04961	65.0
95.08040	3.3
95.08598	40.9
97.02862	7.4
97.06525	11.2
97.10156	4.7
99.04430	2.2
99.08101	2.1
103.05462	3.8
105.07024	65.7
107.04945	20.8
107.08588	32.9
109.02853	3.7
109.06503	56.7
109.10139	18.7
111.08016	4.8
113.05997	40.6
115.05418	5.0
116.06200	2.6
117.06211	2.7
117.07007	32.1
117.75727	2.2
119.07774	3.7
119.08564	44.3
121.06505	10.1
121.10117	19.9
123.08030	10.7
123.11659	4.7
125.09615	4.4
127.03912	2.3
128.06212	4.8
129.06996	15.9
131.08549	46.8
133.06483	6.2
133.10133	34.0
135.08041	35.0
135.11685	20.5
135.32654	2.0
137.09593	5.3
140.81042	1.8
141.06949	7.8
142.07759	3.7
143.08545	18.7
144.09233	2.3
145.06477	8.8
145.10118	31.4
147.08031	7.4
147.11684	21.1
149.09581	9.9
149.13231	8.2
151.11172	2.4
155.08540	6.1
157.10123	17.7
158.97075	2.4
159.08035	7.0
159.11674	28.9
161.09610	9.3
161.13248	11.6
162.66368	2.1
163.11133	5.5
165.06941	2.1
167.08479	6.4
169.10097	11.6
171.11653	16.4
173.09547	3.6
173.13219	13.7
175.11061	4.1
175.14810	7.3
177.12744	7.6
179.14287	2.6
181.10069	5.7
183.11678	8.5
185.13242	7.6
187.11127	9.0
187.14809	5.5
189.12637	3.4
191.14316	2.6
193.09995	2.3
195.11647	4.6
195.13715	2.2
197.13235	5.7
199.14777	8.6
201.12636	2.5
201.16357	5.1
205.12190	2.3
207.11708	2.3
209.13261	4.7
211.14825	3.2
215.14198	2.3
215.17871	3.0
217.15874	9.1
221.15340	2.1
223.14922	3.0
225.16512	2.3
229.19608	2.4
231.21121	2.7
239.17906	4.5
241.14314	4.2
241.19556	11.5
245.18973	2.4
255.17540	3.1
257.19012	5.5
259.20554	16.9
273.18500	24.2
275.19992	8.5
279.15872	22.5
291.19507	61.9
313.21252	2.8
315.23126	6.6
327.26791	6.2
333.24280	34.1
347.22107	7.9
349.23587	3.9
365.23230	14.8
393.28116	2.5
501.36142	2.4
527.33618	3.1
531.38171	4.2
543.37134	4.1
555.37341	2.3
565.38770	2.7
595.43292	4.4
605.41833	20.9
623.42944	100.0
641.43933	35.5
785.48114	2.7
803.47864	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	803.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	24.8
61.02914	8.3
62.38260	5.0
65.03937	5.6
67.05499	88.0
67.18343	4.7
68.88058	5.3
68.88441	5.7
69.03055	4.9
69.03419	23.8
69.07056	32.3
71.04977	13.0
71.59919	8.9
79.05489	69.6
81.03401	17.0
81.07049	100.0
83.04968	19.5
83.08633	25.7
85.02903	15.4
85.06541	8.2
91.05484	79.6
93.07051	66.5
95.04980	26.9
95.08594	52.9
97.02879	23.3
97.06539	12.2
97.10184	9.2
99.04438	7.7
103.05455	5.5
105.07019	61.4
107.04971	20.4
107.08595	36.9
109.02857	7.9
109.06507	16.3
109.10134	36.5
111.04391	6.6
111.08101	11.4
115.05461	7.2
117.07018	32.0
119.08573	47.9
121.06483	9.7
121.10138	19.6
123.08086	16.0
123.11687	5.6
125.09584	11.5
128.06119	7.3
129.05461	5.8
129.06989	20.8
131.08568	47.3
133.06543	9.5
133.10115	54.8
135.08086	12.3
135.11671	14.8
137.09586	9.4
141.06987	7.2
143.08559	25.9
145.10095	43.7
147.08014	7.8
147.11667	17.8
149.09631	10.8
151.11185	10.3
155.08556	14.5
157.10129	28.9
159.11716	26.1
161.09680	10.7
161.13240	12.4
167.08586	6.8
169.10153	17.8
171.08089	5.2
171.11685	21.9
173.09665	17.7
173.13271	17.1
181.10124	9.9
183.11682	20.3
185.13251	16.3
187.14752	6.3
189.12831	7.8
193.10101	7.4
195.11609	10.3
197.13275	16.0
199.14764	6.7
209.13271	8.5
211.11057	6.9
211.14772	9.2
221.13242	10.2
223.14835	6.5
225.12691	5.7
225.16336	5.4
239.18127	5.6
241.19537	6.0
243.20462	5.4
244.56982	5.6
253.14391	16.1
259.20602	7.7
264.16013	5.4
271.17026	10.1
271.20313	6.3
273.18567	14.6
275.20099	9.2
289.18024	12.0
291.19620	12.7
297.22229	6.1
333.24106	10.6
335.25793	21.2
365.23157	7.3
409.30783	8.4
483.34561	8.3
487.34274	41.3
501.36032	28.3
503.37442	6.4
511.34171	12.1
513.36670	7.3
525.35504	11.8
529.35101	8.4
531.37128	8.3
543.36877	8.4
549.39038	8.5
605.41803	18.9
623.43103	68.2
641.44421	29.9
678.47827	5.6
707.44647	6.3
785.47803	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	803.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	14.5
57.03681	2.9
57.07069	3.3
60.27719	2.0
61.02906	5.5
65.03931	5.6
66.40753	1.6
67.05502	85.1
69.03423	22.0
69.06710	3.2
69.07065	40.6
69.92205	9.0
71.01336	1.7
71.04997	12.0
71.08636	2.1
72.08132	2.1
73.02898	2.2
73.06580	1.8
77.03901	1.8
79.05488	82.9
81.02966	3.3
81.03416	35.6
81.07055	100.0
83.04523	2.9
83.04974	21.4
83.08619	19.4
85.02907	13.0
85.06533	6.1
91.05482	69.0
93.06464	3.9
93.07038	66.7
95.04956	22.8
95.08602	51.5
97.02899	12.9
97.06510	23.9
97.10168	11.6
99.04455	6.1
99.08076	4.9
103.03928	2.2
103.05444	5.1
105.07028	69.6
107.04955	17.1
107.08593	43.7
109.02869	8.3
109.06504	18.3
109.10147	25.3
111.04431	4.3
111.08090	7.2
112.33866	2.1
115.05431	3.6
116.06162	1.8
117.07011	30.3
119.08578	52.9
119.90115	1.9
121.06507	9.7
121.10144	27.3
123.04462	2.3
123.08041	9.0
123.11706	10.0
125.09612	12.5
127.03880	13.0
128.06192	4.9
129.05496	3.7
129.06987	12.7
130.07758	2.6
131.08563	39.1
133.06427	4.6
133.10130	39.5
135.08081	11.4
135.11696	14.4
137.09602	8.0
139.11226	2.1
141.06976	7.4
142.07805	5.8
143.08519	13.0
145.06467	4.7
145.10124	33.5
147.08044	7.3
147.11674	22.9
149.09612	24.1
149.13246	8.4
151.11168	6.1
155.08521	9.7
155.49808	2.1
157.10120	13.5
159.08136	3.5
159.11684	24.9
161.09631	6.3
161.13293	9.9
163.11174	12.8
165.12756	5.5
167.08582	4.0
168.09213	2.2
169.10152	11.9
171.07986	2.1
171.10313	2.3
171.11626	10.9
173.04451	15.1
173.09615	5.4
173.11868	3.1
173.13248	14.3
175.11203	5.9
177.12811	3.6
179.10646	2.8
179.14232	2.3
181.08601	1.9
181.10109	4.6
183.11678	9.2
185.09538	2.6
185.13280	5.4
187.11160	6.4
187.14845	4.2
189.11266	4.3
189.12773	2.7
195.11714	5.4
195.13783	3.5
197.13297	4.9
199.11322	2.4
201.12708	2.8
205.12335	2.1
207.13756	2.3
209.13220	3.3
211.14882	3.2
213.12820	2.5
215.14351	3.1
223.14938	2.8
225.12868	2.3
227.12727	8.2
229.14331	7.2
229.19550	5.4
239.14352	2.4
239.17934	3.4
247.20544	7.2
257.18982	17.8
259.20569	4.3
267.15891	3.6
269.17429	7.8
273.18484	5.3
275.20065	84.5
277.21667	2.4
287.19843	2.7
291.19421	3.8
293.17984	2.0
293.20975	10.6
299.19986	2.3
313.21347	2.1
331.22589	4.3
333.24130	2.0
337.21036	2.3
339.23062	2.1
349.23712	45.8
351.25452	2.0
353.25351	2.0
367.24521	4.2
397.21832	2.1
413.21594	2.6
525.35492	3.2
529.35248	4.4
531.38214	2.1
543.36896	22.8
549.03705	1.9
549.38947	2.0
561.38013	2.3
595.43207	3.4
605.41058	4.9
605.49969	2.6
623.42981	24.7
641.44141	21.7
652.76617	2.0
687.40881	4.5
705.41595	6.1
767.46552	4.2
777.48138	1.9
779.37482	2.2
785.47778	5.5
803.47699	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	801.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	4.1
57.03435	19.6
57.07079	4.2
61.02925	4.0
61.68893	2.6
63.29779	2.9
65.03938	7.7
67.05499	100.0
69.03427	24.4
69.07063	27.5
71.04983	9.7
71.59814	3.6
71.70905	3.0
73.02876	3.0
76.65689	3.2
78.31885	3.2
79.05487	83.5
81.03412	67.5
81.07047	95.2
83.04967	22.0
83.08604	15.3
85.02890	13.8
85.06536	8.8
91.03965	2.8
91.05475	97.5
92.97788	3.0
93.07036	74.7
95.04948	34.4
95.08598	56.3
97.02888	21.2
97.06501	13.8
97.10166	6.5
99.04443	9.6
99.08076	4.2
103.05455	5.3
105.07021	75.9
107.04930	23.5
107.08584	53.2
109.02863	13.1
109.04670	3.1
109.06515	22.8
109.10144	34.2
111.04419	7.8
111.08084	8.4
113.05978	3.1
115.05403	6.8
117.07004	31.9
119.08572	47.3
121.06480	14.3
121.10146	22.6
123.04377	5.3
123.08065	13.4
123.11727	6.9
125.09546	6.9
127.03873	11.1
127.57261	2.8
128.06178	3.7
129.06996	17.4
131.04900	3.7
131.08562	42.3
133.06468	15.9
133.10107	54.8
135.04448	4.4
135.08063	16.5
135.11656	18.8
137.09604	9.7
141.06940	8.6
142.07809	5.2
143.08502	20.7
145.04871	3.4
145.06458	11.3
145.10115	30.0
147.08037	7.1
147.11693	20.0
149.09633	17.8
149.13223	6.2
151.11160	18.1
155.08533	9.2
157.10109	14.6
159.08035	8.8
159.11679	29.2
161.09592	10.5
161.13274	7.0
163.11125	7.9
165.12726	5.0
167.08536	7.1
169.10098	9.6
171.11679	17.5
173.04462	23.4
173.09634	6.8
173.13254	10.5
175.11134	6.0
177.09206	4.9
177.12726	4.7
181.10153	4.3
182.02338	2.9
183.11682	7.4
185.09610	5.2
185.13242	11.5
187.11148	7.9
187.14804	4.3
189.12759	6.1
193.10222	4.0
195.11737	7.5
195.13661	5.5
197.13301	4.6
199.11267	4.5
199.14893	5.3
209.13271	6.4
211.14758	5.9
213.12743	5.3
245.19057	4.7
247.20634	3.3
251.12582	3.3
253.14287	15.2
257.18939	9.2
259.20447	3.8
273.18423	20.6
275.19983	33.2
279.15796	6.8
287.38513	3.6
289.18100	6.3
291.19482	25.9
325.25208	4.4
333.24274	3.7
343.26172	4.6
347.05243	2.9
347.22131	15.1
349.23669	10.1
365.23154	9.1
413.27826	3.2
491.35779	4.7
501.51508	3.8
547.36841	5.8
565.38477	17.2
583.40637	5.0
603.40491	6.6
621.41492	73.0
639.42615	37.4
642.21185	4.1
685.86053	3.5
703.40173	6.9
706.85620	3.2
747.45074	4.2
783.46405	6.2
801.47064	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	801.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03010	2.6
57.03434	18.0
57.07054	4.1
58.06585	11.3
60.06898	2.9
61.02920	4.3
61.31612	2.9
61.70763	3.2
63.23840	2.8
64.96599	2.7
65.03918	9.2
67.05503	93.7
69.03427	37.9
69.07069	47.1
71.04974	12.9
71.08620	2.8
71.60133	5.2
78.42892	2.4
79.05492	84.6
80.42575	2.5
81.03417	75.0
81.07058	100.0
82.07372	5.2
83.04966	15.5
83.08614	27.1
85.02903	18.2
85.06522	4.1
91.05476	79.2
93.06467	4.0
93.07043	73.4
95.01308	4.1
95.04963	32.7
95.08045	4.1
95.08604	52.4
97.02881	24.3
97.06528	17.7
97.10152	24.1
99.04445	9.7
105.04475	3.3
105.06380	4.8
105.07029	69.9
107.04958	24.8
107.08588	48.2
109.02884	14.4
109.06509	17.6
109.10150	27.7
111.04422	9.0
111.08075	6.8
115.05457	6.8
116.06263	2.8
117.07017	36.1
119.04942	3.0
119.08572	47.9
121.06493	15.0
121.10156	23.7
123.04399	4.0
123.08052	11.1
123.11713	6.0
125.09619	18.9
127.03941	16.8
128.06215	5.8
129.06992	21.0
131.08572	40.2
133.06490	14.1
133.10126	46.5
135.08064	15.4
135.11690	15.2
137.09618	7.1
141.06935	6.1
143.08617	17.5
144.09236	3.6
145.06458	7.8
145.10124	33.5
146.68857	2.9
147.08049	14.6
147.11685	19.9
149.05896	2.9
149.09610	15.7
149.13246	10.9
150.85661	2.7
151.11185	9.2
152.41391	2.9
153.09137	3.6
155.08549	8.2
157.10130	10.0
159.08069	8.8
159.11725	19.5
161.09621	10.2
161.13210	4.6
163.11182	13.0
165.09113	4.5
167.08534	6.1
169.10095	11.5
171.10313	3.7
171.11703	12.0
173.04457	35.8
173.09514	3.2
173.11780	3.7
173.13263	11.1
175.11197	14.9
175.14925	3.3
175.55698	2.8
177.12798	4.6
179.14354	3.3
181.10168	4.9
182.10927	3.9
183.11676	7.3
185.09555	3.2
185.13249	4.1
187.11064	4.4
189.11180	7.4
191.14305	3.5
195.13727	3.5
197.13290	5.4
207.58582	3.0
209.13463	3.8
211.13281	3.4
217.12320	3.1
223.13269	8.1
227.12715	15.1
227.17969	5.5
229.19514	4.1
239.17978	4.7
245.18866	3.7
247.20673	5.1
253.14287	6.7
255.17474	4.2
255.47339	3.3
257.19034	10.0
260.15610	3.6
269.17157	3.6
273.18512	32.3
275.20071	47.4
291.19513	70.9
293.21170	5.2
331.22586	4.7
347.22250	13.2
349.23813	17.9
365.23407	21.5
413.21295	3.8
417.22589	3.7
435.23117	3.0
493.27914	4.1
499.46014	3.1
541.35065	6.3
559.36273	5.6
610.45319	7.4
611.42834	4.8
621.40961	12.3
639.42749	33.8
685.38989	5.2
703.40289	10.1
765.45667	4.1
783.46100	11.2
801.47864	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93024	2.4
57.03440	13.8
57.07067	3.1
58.06601	21.2
65.03930	6.9
67.05502	94.3
69.03424	39.1
69.06718	3.3
69.07069	46.2
71.04986	11.4
71.08611	3.1
73.02905	5.1
73.24903	2.7
78.56651	2.9
79.05491	94.3
79.68953	2.3
81.03416	70.1
81.07054	100.0
81.60124	2.8
83.04977	20.8
83.08609	22.8
85.02900	16.9
85.06519	8.1
85.20199	2.8
91.05474	82.4
93.07039	70.8
94.07388	2.7
95.01360	3.1
95.04964	29.2
95.08044	4.6
95.08607	47.1
97.02882	28.1
97.06510	17.8
97.10166	27.5
99.04442	8.2
99.08090	3.5
103.05465	4.3
105.07030	74.8
106.07330	4.9
107.04951	22.8
107.08582	51.6
109.02863	11.4
109.06505	17.0
109.10134	26.4
111.04448	6.5
111.08070	6.7
113.05976	2.9
115.05469	7.9
117.07011	33.6
119.08574	55.2
119.16003	2.6
121.06497	9.3
121.10146	21.2
123.04457	4.3
123.08077	14.3
123.11703	4.1
124.90542	2.6
125.05964	3.0
125.09624	20.9
127.03907	17.6
128.06235	7.3
129.06996	20.3
130.07753	3.4
130.85036	3.4
131.04958	3.1
131.08554	38.0
133.06473	9.2
133.10114	32.5
134.10417	2.8
135.08032	11.9
135.11700	13.0
137.09586	8.5
139.11128	3.4
141.06949	8.1
142.07771	5.7
143.08537	18.9
145.06468	6.2
145.10123	27.0
147.08058	8.3
147.11688	24.3
149.09639	13.3
149.13251	8.6
151.11174	7.5
153.09079	5.6
155.08568	13.4
156.09274	2.8
157.06410	4.6
157.10123	13.9
159.08057	8.5
159.11707	19.7
161.09612	11.1
161.13232	7.4
163.11188	11.8
165.09178	3.3
165.12697	3.1
167.08534	4.3
169.10118	8.7
171.10400	2.7
171.11717	11.2
173.04498	24.8
173.09641	6.5
173.13264	8.0
175.11212	10.5
177.12685	6.3
181.10097	5.2
183.11696	7.7
185.13245	5.7
187.11198	4.9
187.14830	5.0
189.11200	14.5
189.12674	3.3
193.12207	4.0
195.11737	3.8
197.09633	3.0
197.13272	7.5
199.11137	3.5
205.12257	3.1
211.14911	3.9
213.12616	3.4
215.17828	2.6
219.13817	3.6
223.11307	3.8
223.13313	12.2
227.12744	14.7
229.19458	3.3
239.17905	6.0
241.02602	2.8
243.35939	2.6
247.20569	3.6
249.14798	3.8
255.17363	4.6
257.18942	9.1
273.18445	29.2
275.20059	59.1
291.19528	80.0
293.21133	4.9
298.01950	3.2
323.20187	2.9
331.22424	4.8
347.22064	9.9
349.23663	16.0
355.22577	2.9
365.23465	18.7
383.21985	4.3
475.26007	3.6
490.35565	3.0
508.36203	2.9
541.35138	5.7
559.36377	3.7
610.45538	12.9
611.42578	7.1
621.41614	13.3
628.45923	5.4
639.42407	37.2
649.35596	3.2
703.40344	5.5
765.44934	5.8
783.46063	10.0
801.47583	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	5.1
57.03429	10.1
59.05016	2.7
61.02918	8.3
65.03944	4.9
67.05166	4.0
67.05508	63.8
69.03432	25.3
69.07076	14.8
71.04992	30.0
71.58814	2.5
71.59250	3.3
72.08158	4.0
73.02917	5.6
79.05495	39.1
81.02975	4.9
81.03421	57.4
81.06580	4.9
81.07059	100.0
83.04990	18.1
83.08624	9.8
85.02905	18.1
85.06548	8.5
87.04485	2.5
91.03952	3.8
91.05479	37.4
93.07043	45.0
95.04967	16.1
95.08610	23.9
97.02887	30.8
97.06523	11.8
99.04448	9.0
99.08089	3.2
105.07030	23.5
107.04948	5.7
107.08600	29.5
108.15903	2.1
109.02888	16.0
109.06531	4.6
109.10164	9.8
111.04442	8.6
111.08105	6.6
111.97773	2.2
117.07038	12.5
119.08585	11.2
121.06482	6.2
121.10156	14.0
123.04409	2.7
123.11731	9.2
127.03922	17.4
129.05478	7.4
129.06990	5.0
131.08589	13.9
132.04083	2.3
133.10127	19.0
135.08104	4.0
135.11703	7.8
139.03960	2.5
145.05052	2.3
145.10103	6.6
147.08101	3.5
147.11668	14.6
149.09581	3.0
149.13254	16.0
151.11246	4.5
157.10135	6.7
159.11726	8.4
163.11125	2.4
165.12721	6.1
171.13843	3.2
173.04433	13.0
175.11177	6.7
177.12708	5.2
180.80406	2.2
183.11642	2.2
183.13817	3.1
187.13339	7.1
193.12289	7.6
195.13771	11.5
197.09404	2.5
201.15010	2.4
211.13242	4.2
227.16629	2.4
229.49236	2.4
230.35725	2.3
243.15913	6.2
253.18028	7.1
267.09158	5.2
267.15906	8.0
269.10461	4.0
269.17358	16.0
285.09973	10.8
285.16983	3.0
286.10693	3.2
287.11630	3.7
299.18469	4.1
339.18015	4.4
369.19327	4.1
377.19659	4.5
395.20798	5.3
413.21643	5.9
421.29401	5.1
430.18423	2.9
430.69119	4.1
435.31561	2.6
437.29010	18.2
451.30215	3.2
462.22260	2.6
463.30542	18.9
479.72394	3.4
480.23065	6.3
480.73062	3.5
495.32825	7.3
547.61597	2.3
581.33380	5.1
589.33197	3.6
607.34760	16.4
610.01416	2.5
636.95422	2.9
639.37189	7.0
797.23358	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	2.8
57.03432	12.8
61.02923	4.1
62.45778	1.6
65.03933	2.9
67.05499	28.5
67.05833	3.1
69.03418	23.5
69.07063	7.0
69.48921	4.7
69.49335	10.2
71.04998	8.5
73.02912	4.3
77.03923	2.3
77.44051	1.8
79.05491	29.6
81.03414	100.0
81.07055	34.1
83.04978	25.1
83.08619	26.0
85.02898	25.0
85.06553	3.1
91.03947	3.1
91.05471	40.2
93.07050	26.5
95.04966	30.1
95.08051	2.1
95.08573	10.2
97.02876	32.2
97.06516	7.7
97.10162	5.7
99.04456	9.1
99.08079	2.2
101.02400	3.7
105.07036	26.8
107.04949	10.4
107.08604	9.9
109.02866	22.0
109.06532	5.5
109.10155	5.5
111.04450	9.8
111.08070	11.7
115.05476	3.0
117.07017	6.0
119.08579	22.1
121.06535	5.2
121.10123	11.8
123.04462	2.9
123.08080	2.9
123.11745	2.8
125.09641	5.2
127.03909	20.9
129.05487	4.4
129.06998	12.1
130.56738	1.6
131.08551	14.8
133.06496	4.3
133.10112	12.8
135.08043	2.5
135.11699	2.1
137.05981	3.0
142.07831	1.9
145.06519	2.4
145.10126	5.5
147.04387	2.5
147.08064	6.0
147.11687	22.7
149.05905	2.4
149.09622	5.1
149.13397	1.9
153.12737	2.9
155.08548	3.0
157.10115	17.0
159.11635	2.5
161.05995	2.1
163.11229	5.3
165.12738	6.6
169.10207	2.0
173.04420	8.9
173.09717	2.0
175.11195	16.4
181.12317	2.7
183.06599	2.3
189.11295	2.8
191.10696	3.8
193.12241	45.9
211.13280	69.9
212.13638	2.6
227.12793	7.8
229.14423	4.9
235.13304	2.6
249.14836	2.9
253.07169	2.5
267.08981	7.2
267.15887	32.4
283.15482	2.1
285.10110	18.6
285.16983	29.0
286.10501	5.8
301.14377	5.8
319.15335	5.0
324.11407	6.1
324.61743	5.2
337.16397	5.7
355.17627	9.9
359.22040	2.3
375.17752	3.1
385.23929	3.8
393.18958	5.4
411.20114	6.4
429.21295	9.2
438.18283	12.0
438.68546	12.5
439.19141	2.2
459.27350	17.1
477.28378	21.4
495.29355	12.6
501.28525	2.6
585.30432	4.3
603.31616	4.8
621.32782	14.3
639.33710	16.2
648.92664	2.1
743.96716	1.9
783.37250	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	800.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.2
57.03428	2.5
57.05794	0.7
57.07067	2.9
65.03095	0.7
65.03930	2.1
67.05503	40.1
69.03446	0.7
69.07066	14.3
70.06593	3.4
71.04987	1.1
71.08621	4.0
71.36831	1.1
71.37166	1.2
72.08151	100.0
73.08520	0.9
79.05488	19.0
79.05952	0.9
80.06269	1.0
81.03426	2.7
81.07054	39.6
83.05003	3.7
83.08611	8.5
84.77032	0.8
85.02916	1.2
85.06538	2.2
90.09202	0.9
91.05474	12.3
93.07038	21.0
95.04965	5.5
95.08602	24.6
97.02816	0.7
97.06542	3.4
97.10162	3.1
99.08092	2.9
105.07016	9.4
105.07568	0.8
107.08594	11.6
107.75082	0.7
108.92464	0.6
109.06558	1.0
109.10146	7.8
111.08076	2.6
111.78844	0.7
117.06966	3.6
117.97144	0.7
119.08566	6.3
121.06500	1.2
121.10141	6.8
123.08005	1.3
123.11724	3.1
125.09621	1.3
129.06992	1.4
131.08603	3.5
133.10098	5.6
135.11693	6.2
139.11180	1.4
145.10104	1.9
147.11702	2.9
149.09636	2.1
149.13286	3.7
150.58968	0.7
151.11143	4.0
157.10234	1.7
159.11751	3.2
161.13339	2.5
163.11223	2.8
163.14851	0.9
165.12846	1.0
170.05769	25.7
171.11707	0.9
174.51672	0.8
175.14845	1.1
179.14383	1.3
183.98178	0.8
189.11244	0.7
195.13860	1.5
223.13402	1.1
233.08392	0.7
233.15462	0.8
251.16460	3.0
255.15948	1.1
257.19031	0.9
263.23758	2.4
269.17578	3.4
275.20029	4.1
277.21576	5.9
293.21088	1.3
311.25793	8.7
337.27249	5.3
349.23804	3.2
351.25494	2.4
404.48361	0.8
411.77072	0.8
491.37219	3.4
494.18567	0.8
505.38623	6.3
510.91025	1.0
517.39502	1.0
531.40411	42.6
532.40875	2.5
533.41754	1.1
585.45172	2.0
595.47455	2.9
613.48248	24.8
614.48779	1.8
630.03015	0.9
631.49310	23.6
714.31042	0.9
761.57642	0.9
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
57.03431	1.3
61.02921	5.7
65.03943	0.6
67.05496	6.5
69.03423	4.0
69.07060	1.1
69.11843	0.5
71.04996	0.9
71.58305	0.9
73.02908	4.6
79.05493	4.6
81.03425	2.0
81.07047	6.4
83.08685	0.6
85.02898	7.1
91.03951	3.5
91.05495	1.9
93.07030	4.1
95.04939	0.7
95.08609	4.3
97.02879	6.1
99.04445	1.0
101.02381	1.6
105.07045	1.2
107.08593	2.8
109.10197	0.9
121.10150	2.3
127.03929	1.4
133.10107	0.7
135.11740	0.8
142.96385	0.6
149.13345	0.6
187.14746	0.5
243.08388	1.8
279.48608	0.7
454.25909	0.5
519.29285	16.3
797.51672	100.0
798.51569	2.9
808.65552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13638	0.2
61.16448	0.2
64.44850	0.3
67.42445	0.2
69.97695	1.0
70.06593	0.3
77.00890	0.3
81.03365	0.3
85.02876	0.3
95.01903	0.3
98.20743	0.3
98.97547	0.4
101.00851	0.3
105.07006	0.4
109.02858	0.3
119.01914	1.7
123.04403	0.8
131.08501	0.5
135.04388	0.4
137.02937	0.3
137.05972	0.3
139.03897	0.4
143.01915	1.9
143.02977	0.2
143.03339	0.2
145.10030	0.5
147.04344	0.2
153.01784	0.5
161.02937	3.9
163.03883	0.6
171.05081	0.5
173.02925	0.6
173.06519	0.3
179.07014	0.4
181.07053	0.3
183.05107	0.3
185.06543	0.4
187.04683	0.3
189.07561	0.7
191.07019	0.4
195.08606	1.5
199.08163	0.8
205.07085	0.9
205.10730	0.5
207.08641	6.9
207.10617	0.3
209.06615	0.6
213.06032	0.4
213.09599	0.3
219.08488	0.3
221.10333	0.4
223.08125	0.9
223.11772	1.4
225.09726	3.5
231.08629	3.1
232.02458	0.3
237.09659	0.8
239.07661	0.5
241.12839	0.7
247.11769	0.9
249.09706	18.5
250.10013	0.5
255.10793	3.1
261.09723	0.5
263.11380	0.5
265.09525	0.3
265.12823	1.3
267.10764	40.4
268.10992	0.9
272.11215	0.7
273.09637	0.5
285.11819	8.4
290.12354	1.0
291.10748	12.5
292.10989	0.4
309.11816	20.1
310.12247	0.4
321.11884	1.1
332.13403	1.0
333.11609	0.4
351.12894	3.6
358.12854	0.7
367.10779	0.3
411.14972	100.0
412.15219	2.1
427.12628	0.7
750.24664	0.3
800.21484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	0.6
57.03426	2.6
59.04984	0.6
61.02929	5.5
67.05498	7.3
69.03422	4.3
69.07061	3.0
69.31181	5.5
71.04988	1.0
73.02905	4.1
79.05490	4.4
81.03416	6.9
81.07056	6.1
83.04973	1.7
83.08621	1.9
85.02903	6.8
91.03948	4.0
91.05473	6.7
93.07045	3.9
95.04970	3.2
95.08588	3.0
97.02895	5.7
97.06537	0.9
97.10175	1.7
99.04478	1.2
101.02392	3.0
101.41273	0.5
105.07028	3.1
107.04956	1.4
107.08575	4.0
109.02894	1.2
109.06551	0.9
109.10191	2.0
111.08051	1.0
115.04023	0.7
117.06979	0.8
119.08597	3.0
121.10156	2.4
123.04404	1.5
125.09661	0.8
127.03946	1.7
129.07019	1.2
131.08565	1.3
133.10132	1.9
145.10097	0.9
146.20050	0.6
147.04445	1.2
147.11731	1.4
149.01294	0.8
149.09679	0.9
149.13277	1.0
157.10194	1.7
166.05278	0.5
173.11819	0.6
175.11319	0.7
178.33917	0.6
185.04308	0.7
193.12347	2.0
203.05276	0.7
211.13362	1.1
241.07312	0.7
243.08383	3.4
251.12593	2.0
267.08975	0.9
267.16074	0.9
285.10324	0.7
307.15237	0.9
324.34653	0.6
351.21417	2.7
407.23901	0.7
469.20450	10.3
569.29456	8.2
797.42896	100.0
798.43317	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	797.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	13.4
61.02919	8.8
65.03924	5.4
67.05502	55.2
69.03426	31.7
69.07066	12.6
71.04987	9.9
71.59245	2.3
73.02908	5.8
77.03920	2.3
79.03983	1.8
79.05059	3.4
79.05494	60.1
81.03414	100.0
81.07053	53.3
83.04984	24.2
83.08611	20.3
85.02483	2.6
85.02911	25.5
85.06545	4.7
91.03976	2.9
91.05478	62.8
92.28508	2.2
93.07040	56.1
95.04968	39.2
95.08606	23.5
95.61531	2.2
95.81970	1.9
97.02885	31.4
97.06501	9.7
97.10182	6.8
99.04445	12.1
103.05457	2.5
105.04555	2.5
105.07029	47.1
107.04948	14.2
107.08595	22.6
109.02867	21.3
109.06498	10.5
109.10156	7.8
111.04469	10.1
111.08085	8.6
115.05453	5.3
117.07006	12.6
119.04953	3.4
119.08577	30.6
121.02828	2.3
121.06528	6.6
121.10108	9.8
123.04459	5.2
123.08059	6.6
125.09622	4.2
127.03918	26.5
128.06204	5.8
129.05495	4.0
129.07010	24.8
130.07770	1.9
131.04935	6.7
131.08549	18.1
133.06502	5.5
133.10112	11.9
135.07986	4.9
135.11703	6.9
137.05942	3.0
137.09648	4.1
141.06967	4.5
142.07765	4.0
143.08543	12.6
145.04955	4.0
145.06468	4.6
145.10138	12.1
147.04382	2.9
147.08031	5.9
147.11676	31.6
149.05977	2.2
149.09558	4.1
149.13249	2.4
153.07034	2.4
153.12775	3.4
155.08601	4.5
157.06450	3.2
157.10147	14.1
159.08057	5.8
159.11740	3.0
161.05952	3.9
161.09680	3.3
161.13251	6.7
163.11195	8.2
165.12724	4.6
167.08572	3.8
169.10121	3.7
171.07991	3.5
171.11719	17.5
173.04491	11.2
173.09506	2.5
175.07553	2.2
175.11176	10.4
177.12804	3.0
181.12196	3.2
183.08015	2.3
185.09618	3.8
185.13333	2.9
189.12775	7.0
191.14235	2.9
192.30653	2.0
193.12225	26.6
197.09506	2.0
207.13834	18.6
211.13266	36.7
225.14896	6.1
227.12666	5.4
229.14215	2.9
259.16913	3.3
265.18130	2.1
267.09076	3.4
267.15900	16.5
269.15314	6.4
273.14893	3.5
279.15805	2.2
281.17496	36.7
283.15417	6.0
285.10141	4.2
285.17010	11.3
287.16446	5.8
299.11920	2.3
301.14359	2.2
309.17014	2.7
322.11661	2.5
337.16418	3.3
411.19888	2.8
423.68066	2.6
425.21738	7.2
429.21259	6.0
436.18719	4.7
436.68710	2.4
437.18625	3.6
445.29648	2.5
455.27856	2.1
469.20380	2.7
473.29013	36.0
491.29990	21.3
515.32666	2.0
553.31158	3.6
569.29553	3.4
581.30652	4.4
591.85968	2.5
599.31915	3.9
617.32648	5.8
635.34344	19.2
779.38513	3.5
797.42810	28.6
817.13678	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	795.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.4
61.02925	5.2
62.18850	0.6
67.05499	6.4
69.03429	2.3
69.07081	1.8
69.43137	5.6
70.04015	0.6
71.05006	1.0
72.08149	2.0
73.02912	3.7
74.73531	0.7
79.05495	3.0
81.03407	1.5
81.07058	4.9
85.02901	4.7
91.03963	3.2
91.05479	1.8
93.07039	3.2
95.08617	3.8
97.02881	3.5
97.06552	0.9
97.10163	0.5
98.21603	0.7
99.04482	0.8
101.02380	1.8
105.07019	0.8
107.08601	2.0
109.02880	0.9
109.10152	5.4
117.07012	0.6
119.08601	1.3
121.10139	1.3
127.03870	1.6
131.08556	1.4
133.10124	0.8
143.10547	0.6
173.11761	1.9
185.04262	1.0
186.82066	0.6
195.10016	0.9
229.14406	0.8
235.08057	0.6
243.08328	1.5
301.09311	0.7
309.19589	0.7
335.25830	0.7
400.70081	0.6
413.17886	7.6
519.29108	7.7
527.34406	0.7
556.33148	0.7
569.72955	0.8
627.45502	0.9
691.40228	100.0
692.40411	4.1
795.44299	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	795.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.5
57.03440	2.5
61.02924	4.7
67.05505	5.6
69.03436	4.0
69.07066	2.5
69.87744	2.3
71.05001	3.2
72.08184	0.5
73.02908	3.9
79.05485	3.6
79.16048	0.4
81.03418	2.5
81.07050	7.7
83.04975	0.6
83.08611	1.1
85.02902	4.2
85.06564	0.7
87.04494	0.5
88.14204	0.4
91.03946	3.0
91.05482	4.6
93.07034	4.3
95.04960	1.3
95.08596	2.4
97.02895	4.1
97.06524	0.9
97.10180	0.6
99.04453	0.8
101.02383	1.6
105.07033	2.7
107.08602	2.8
109.02847	1.5
109.06535	0.6
109.10167	0.9
117.07087	1.1
119.08587	1.3
121.10111	0.8
123.11739	1.2
127.03942	1.5
131.08591	1.5
133.10167	2.2
135.11726	1.5
147.11746	0.6
149.13390	0.6
151.11218	0.8
159.11678	0.5
183.13847	0.8
185.04269	1.0
187.13336	0.7
188.39915	0.4
243.08331	3.5
257.17627	0.6
267.15799	1.5
269.17429	0.5
279.09048	0.4
333.20453	1.9
439.19513	0.6
441.20874	0.5
453.20963	2.0
485.23666	8.1
534.26733	0.4
551.28448	6.0
633.39368	0.6
697.37842	1.0
709.34003	0.8
795.44965	100.0
796.44971	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	795.4493
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96580	0.6
57.03438	2.4
59.60008	0.3
61.02927	4.8
67.05498	5.0
69.03426	3.3
69.07069	1.8
71.01360	0.5
71.04990	1.6
72.08161	0.5
73.02921	4.2
79.05483	4.9
81.03423	3.6
81.07053	4.9
83.04986	0.9
83.08627	1.5
85.02890	4.8
85.06516	0.5
87.04475	0.4
91.03958	3.2
91.05476	5.5
91.06005	0.5
93.07037	5.6
95.04976	1.4
95.08599	2.9
97.02880	4.7
97.06552	1.1
97.10194	0.4
98.20713	0.9
99.04464	1.1
101.02362	1.6
103.03951	0.9
105.07033	4.5
107.04985	0.3
107.08594	3.2
109.02855	0.9
109.06544	0.4
109.10168	1.2
111.08131	0.7
115.03902	0.7
116.22803	0.3
117.07037	0.5
119.08569	3.0
121.10138	1.8
123.08036	0.5
123.11717	0.4
127.03934	1.6
129.05530	0.5
129.07047	0.7
131.08539	2.4
133.10144	2.1
135.11737	1.2
145.04964	0.6
145.10153	0.8
147.11703	1.6
149.09650	1.3
149.13370	0.5
151.11150	0.4
157.10191	0.6
159.11789	0.6
175.11179	0.8
185.04265	1.0
193.12273	1.0
203.05312	0.5
220.33400	0.3
225.14957	0.5
243.08411	3.5
251.70018	0.3
253.14284	0.4
255.09200	0.5
259.20670	0.4
267.15863	1.2
283.15149	5.0
291.19125	0.4
301.09045	1.6
309.11087	0.6
313.08981	0.5
315.10696	0.6
333.20633	0.5
333.24335	0.4
339.17911	0.8
373.11340	0.6
381.19052	0.5
421.75867	0.4
427.19687	0.5
439.18771	0.4
441.21121	0.7
447.21881	0.4
448.22025	0.5
453.21509	0.7
465.21167	1.1
469.21088	0.5
485.17807	0.5
485.23657	1.6
501.23068	9.8
535.28711	6.8
551.28223	1.3
573.25385	1.5
680.79156	0.4
705.38605	0.9
742.97235	0.4
795.45074	100.0
796.45502	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	795.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
61.02927	4.7
67.05510	6.1
69.03421	3.7
69.07085	2.4
69.27052	5.7
71.01349	0.5
71.04985	3.7
72.08166	0.8
73.02912	3.3
79.05489	2.9
81.03426	2.0
81.07051	8.7
82.73534	0.4
83.08628	1.5
85.02894	4.4
91.03946	2.9
91.05479	4.2
93.07041	4.0
95.04962	1.1
95.08588	2.6
97.02892	3.8
97.06552	1.3
98.18301	0.4
99.04475	1.0
101.02395	1.8
103.03999	0.6
105.07040	2.7
107.08591	2.6
109.02897	0.8
109.06528	1.2
109.10173	1.1
111.08134	0.5
117.07038	1.0
118.25617	0.5
119.08601	1.8
120.35828	0.5
121.10166	1.3
123.11747	1.5
127.03949	1.4
131.08575	1.2
133.10164	3.3
145.04953	0.7
147.11761	1.2
149.13260	0.7
151.11218	1.2
159.11711	1.3
163.03951	0.7
175.99774	0.5
185.04311	0.7
187.13350	0.5
189.82501	0.5
203.05385	0.6
243.08401	3.1
257.17618	0.7
267.15872	1.5
333.20346	3.2
348.68353	0.5
423.20145	0.7
469.90878	0.5
485.23538	9.8
551.28326	7.0
557.26190	0.7
709.32037	0.6
795.44977	100.0
796.45288	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	795.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.0
61.02916	1.3
62.49524	0.6
67.05504	4.0
67.96983	0.7
68.69842	0.6
69.03429	1.1
69.07061	0.8
69.48080	5.7
72.08136	1.1
72.97238	0.7
73.02905	1.2
79.05467	1.7
81.03399	1.3
81.07052	3.0
85.02908	2.6
91.03968	0.8
91.05491	1.6
93.07030	1.7
95.08617	2.6
97.02910	1.6
98.21610	0.6
104.10001	0.8
105.07045	1.3
107.08614	1.1
109.02845	0.7
109.10151	2.0
119.08558	1.0
121.10136	0.8
131.08551	0.7
139.03864	0.8
194.24844	0.7
195.10037	0.8
201.16431	0.7
243.08357	0.7
265.66464	0.6
267.09189	0.8
285.10083	1.0
413.18030	1.2
485.16992	1.0
505.90350	0.7
519.29456	3.0
691.40240	34.9
728.45172	0.8
795.42828	100.0
796.43561	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	795.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.5
57.03439	2.7
57.07079	0.8
61.02926	5.6
65.03909	0.7
67.05501	5.6
69.03423	4.9
69.07060	2.3
70.06577	1.1
71.00420	1.1
71.00773	0.5
71.01347	0.5
71.04967	1.4
72.08147	0.8
73.02920	4.2
79.05494	5.1
81.03415	4.2
81.07053	4.1
83.01102	0.7
83.04980	1.4
83.08617	1.4
85.02895	6.6
87.04475	0.9
88.07619	0.8
91.03950	4.7
91.05484	4.3
91.18736	0.5
93.07040	4.1
95.04969	2.0
95.08632	2.0
97.02890	6.2
97.06547	1.3
97.10144	1.3
98.97611	0.8
99.04453	1.2
101.02402	2.2
103.03950	0.6
105.07043	2.3
107.04952	1.4
107.08602	3.1
109.02840	1.2
109.10174	2.3
111.08097	1.0
115.03924	0.7
116.98678	0.8
117.05540	0.8
117.07044	0.7
117.56783	0.5
119.08578	1.9
121.10143	1.8
122.19518	0.6
125.09644	1.1
127.03915	2.4
129.05496	2.2
129.07004	0.7
131.08598	1.4
133.10136	2.4
133.76889	0.5
135.11713	1.0
145.04974	1.0
145.10165	0.8
147.11726	1.1
149.01250	1.2
149.02390	1.7
159.11662	0.7
161.01201	0.6
163.11116	0.7
173.11797	0.9
181.04782	0.6
184.03455	0.7
185.04227	4.4
193.04982	0.7
193.12158	1.1
200.20206	1.3
201.03770	2.2
201.20511	0.9
203.05360	0.7
205.89146	0.5
211.13361	0.7
223.11369	0.7
223.13376	1.1
241.06917	0.7
243.08385	6.4
243.10695	0.6
251.12637	2.5
259.08087	1.1
261.33270	0.5
263.12582	0.9
267.09171	1.5
269.10483	1.0
273.09644	0.6
285.10187	1.9
287.11801	0.6
290.75708	0.6
291.15707	0.8
301.08926	14.9
303.19000	0.5
309.10068	0.5
313.09045	1.2
315.10443	4.2
321.16672	0.5
327.10706	1.1
329.12228	0.7
333.20477	3.7
341.12067	0.7
343.13763	1.0
349.16342	2.9
355.13757	1.1
359.22318	1.0
367.17285	1.1
369.15259	1.5
371.16769	1.6
373.10941	4.2
373.23575	1.8
383.16891	1.6
385.18323	9.3
387.12924	1.1
389.23019	0.8
395.16769	1.1
399.69791	0.6
413.18173	2.0
429.17410	3.5
431.24216	2.0
433.25784	2.2
439.19519	1.8
443.18826	2.8
445.25809	0.5
449.25171	0.7
453.21008	1.2
457.20187	1.2
469.20462	9.6
477.24771	2.3
481.20203	4.1
483.22086	0.8
485.18430	2.2
487.22040	1.4
499.21796	2.2
511.21436	1.0
515.34009	1.0
528.21667	2.5
541.22510	11.2
549.26843	1.3
551.28314	6.9
567.27069	1.0
583.29828	1.1
593.29834	0.7
610.29755	0.8
611.30328	1.2
612.31354	1.4
623.30377	4.8
625.31561	2.5
637.32056	1.0
641.31567	2.0
651.33826	2.0
667.32788	0.9
679.34564	0.9
693.38263	3.5
697.33881	1.1
709.34070	18.8
733.42261	1.1
749.40723	2.3
777.40210	4.4
795.41241	100.0
796.41534	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	795.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.6
61.02923	4.0
67.05505	3.7
68.53336	0.5
69.03425	3.8
69.07072	2.7
71.04971	1.0
73.02925	2.9
79.05499	3.3
81.03416	4.5
81.07055	4.3
83.04989	1.3
83.08620	2.3
85.02901	5.5
85.06580	0.4
91.03951	2.7
91.05476	3.9
92.65025	0.4
93.07042	3.1
95.04976	2.4
95.08578	1.9
97.02892	3.8
97.06544	0.7
97.10171	1.4
99.04445	0.7
101.02384	1.8
105.07045	2.6
107.04951	1.3
107.08581	1.7
109.02901	1.1
109.06543	0.7
109.10140	1.0
111.04404	0.6
111.08065	0.6
113.06031	0.6
116.90103	0.4
117.07005	0.9
119.08588	1.6
121.06470	0.5
121.10161	1.2
123.08070	0.7
125.09660	1.1
127.03921	1.1
129.07025	0.6
131.08586	1.5
133.10118	2.0
140.55565	0.4
143.57431	0.5
144.88672	0.4
145.10107	0.9
147.08061	0.5
147.11700	1.3
149.09703	0.6
154.20209	0.4
157.10202	1.1
163.11200	0.8
165.12785	0.4
175.11162	0.7
185.04277	0.7
193.12289	1.6
243.08353	3.4
251.12701	0.9
269.12366	1.6
301.09021	0.9
307.15070	0.5
315.10864	0.5
316.61081	0.4
349.20053	2.0
373.11374	0.5
422.18735	0.5
443.19443	0.7
448.27420	0.4
451.19724	0.5
469.20511	9.4
514.22504	0.4
541.22748	0.9
549.26746	0.5
567.27753	4.2
579.36438	0.5
611.30835	0.9
795.41315	100.0
796.41394	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	795.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.7
61.02926	5.1
63.74290	0.3
64.85257	0.5
65.03935	0.4
67.05498	6.2
68.79887	0.3
69.03429	4.8
69.07058	2.9
71.01356	0.6
71.04993	1.2
71.60500	0.6
71.60851	0.4
72.08151	1.3
73.02915	4.8
79.05493	6.0
81.03414	6.3
81.07053	5.9
83.04990	2.1
83.08625	1.5
85.02901	6.7
91.03948	2.6
91.05470	5.3
91.05998	0.4
92.05889	0.4
93.07046	4.2
94.07377	0.4
95.04969	2.8
95.08597	2.6
97.02883	4.8
97.06537	3.0
97.10208	0.9
99.04447	0.9
101.02378	2.1
105.07043	3.0
107.04935	1.1
107.08616	2.6
109.02892	1.4
109.06496	1.1
109.10185	1.9
111.04424	0.7
111.08092	0.9
115.03926	0.7
116.33435	0.4
117.07007	0.8
118.72128	0.4
119.08568	2.4
121.06563	0.5
121.10166	1.6
123.08104	0.4
127.03915	1.7
129.07021	1.7
131.08591	1.7
133.10139	1.8
135.08029	0.6
135.11714	1.8
137.09644	0.5
145.10155	1.2
147.08051	0.8
147.11707	1.8
149.09682	1.2
157.10153	1.2
175.11234	1.5
185.04315	0.5
189.15959	0.4
193.12196	1.9
203.05412	0.6
211.13362	0.9
227.12921	0.5
229.14282	0.7
243.08453	3.2
251.12575	1.2
255.16000	0.6
269.12506	0.8
271.13928	0.4
293.12439	0.5
310.53998	0.4
314.12384	0.4
349.19824	5.9
405.22690	0.7
435.27484	2.0
436.27872	3.2
439.19452	0.9
453.21429	0.6
469.20386	7.9
470.21069	0.4
549.26605	0.5
550.63885	0.5
567.27637	3.6
795.41284	100.0
796.41577	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	795.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48756	0.4
56.96563	2.4
57.03423	1.2
61.02915	1.4
66.28876	0.4
67.05494	2.8
69.03429	1.6
69.07076	0.9
69.43419	0.7
69.43822	3.3
71.04986	0.5
72.08149	0.6
73.02913	0.5
75.69038	0.4
79.05477	2.6
81.03409	1.9
81.07053	2.6
81.28474	0.4
82.07358	0.4
83.04967	0.9
83.08609	0.5
85.02906	1.7
91.03981	1.0
91.05472	2.8
93.07044	2.3
95.04969	0.9
95.08601	1.3
97.02893	1.9
98.97588	0.5
99.04434	0.5
105.07007	1.3
106.73148	0.4
107.08605	1.2
109.10164	0.8
116.98643	0.5
117.07042	0.6
119.08579	1.2
121.10130	0.8
123.04430	0.5
125.96076	0.5
127.03946	0.8
129.06976	0.9
131.00154	0.9
131.08586	0.5
133.10165	1.1
134.99675	0.7
135.11684	0.9
145.10149	0.8
147.11703	0.6
149.01237	1.8
153.02330	0.5
161.01237	0.6
167.02350	0.8
177.00752	0.9
185.04694	0.6
199.02797	0.7
207.13867	0.4
213.05635	0.6
213.07742	0.5
217.07217	0.6
243.08539	1.0
249.07983	0.5
251.09483	0.5
259.20404	0.5
267.09015	4.4
269.10471	2.7
269.66394	0.5
285.10101	6.4
287.11603	1.1
293.05426	1.0
301.09052	1.1
308.11771	0.8
309.10223	0.8
315.10693	0.5
331.15732	0.6
349.17023	2.2
367.18076	0.7
385.18427	0.6
421.19690	0.5
440.54678	0.5
453.21005	0.7
456.92194	0.6
469.20468	1.4
485.16895	4.4
487.19254	1.0
541.28711	0.7
551.27155	0.8
567.24463	0.7
709.34576	1.0
777.39667	0.8
795.39532	100.0
796.39569	3.0
804.95746	0.5
826.95251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48756	0.4
56.96563	2.4
57.03423	1.2
61.02915	1.4
66.28876	0.4
67.05494	2.8
69.03429	1.6
69.07076	0.9
69.43419	0.7
69.43822	3.3
71.04986	0.5
72.08149	0.6
73.02913	0.5
75.69038	0.4
79.05477	2.6
81.03409	1.9
81.07053	2.6
81.28474	0.4
82.07358	0.4
83.04967	0.9
83.08609	0.5
85.02906	1.7
91.03981	1.0
91.05472	2.8
93.07044	2.3
95.04969	0.9
95.08601	1.3
97.02893	1.9
98.97588	0.5
99.04434	0.5
105.07007	1.3
106.73148	0.4
107.08605	1.2
109.10164	0.8
116.98643	0.5
117.07042	0.6
119.08579	1.2
121.10130	0.8
123.04430	0.5
125.96076	0.5
127.03946	0.8
129.06976	0.9
131.00154	0.9
131.08586	0.5
133.10165	1.1
134.99675	0.7
135.11684	0.9
145.10149	0.8
147.11703	0.6
149.01237	1.8
153.02330	0.5
161.01237	0.6
167.02350	0.8
177.00752	0.9
185.04694	0.6
199.02797	0.7
207.13867	0.4
213.05635	0.6
213.07742	0.5
217.07217	0.6
243.08539	1.0
249.07983	0.5
251.09483	0.5
259.20404	0.5
267.09015	4.4
269.10471	2.7
269.66394	0.5
285.10101	6.4
287.11603	1.1
293.05426	1.0
301.09052	1.1
308.11771	0.8
309.10223	0.8
315.10693	0.5
331.15732	0.6
349.17023	2.2
367.18076	0.7
385.18427	0.6
421.19690	0.5
440.54678	0.5
453.21005	0.7
456.92194	0.6
469.20468	1.4
485.16895	4.4
487.19254	1.0
541.28711	0.7
551.27155	0.8
567.24463	0.7
709.34576	1.0
777.39667	0.8
795.39532	100.0
796.39569	3.0
804.95746	0.5
826.95251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92713	0.5
57.03432	2.0
61.02921	4.8
67.05497	6.2
69.03426	3.4
69.07068	3.3
71.01340	0.4
71.04990	3.5
71.60018	0.9
73.02908	3.3
75.04458	0.4
79.05494	4.0
81.03419	2.5
81.07046	6.2
83.04995	0.8
83.08621	1.1
85.02898	3.8
91.03947	2.5
91.05474	3.6
93.07047	3.8
95.04960	0.8
95.08616	2.0
97.02875	3.9
97.06544	0.6
97.10182	1.4
99.04441	1.0
101.02411	1.8
105.07047	2.0
107.05013	0.6
107.08556	2.4
109.02866	0.8
109.06524	0.6
109.10178	1.1
111.08161	0.6
117.07056	1.3
119.08587	1.0
121.10130	0.8
123.11730	1.3
127.03949	1.3
129.06992	0.7
131.08553	1.3
133.10107	2.2
135.11713	0.7
149.13303	1.0
151.11198	1.0
159.11700	1.0
185.04224	0.6
204.90894	0.4
204.94547	0.5
223.13377	1.2
243.08391	3.2
267.15805	0.9
291.19739	1.3
331.19003	1.7
387.21298	0.8
441.20886	0.6
485.23544	8.5
549.26495	3.7
665.34174	0.7
793.43347	100.0
794.43378	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.1
61.02925	3.8
67.05497	5.3
69.03438	1.8
69.07079	2.1
71.04995	2.7
72.43716	0.6
73.02921	2.3
79.05502	2.9
81.03414	1.4
81.07063	6.8
83.04960	0.8
83.08607	0.7
85.02902	3.9
91.03973	2.0
91.05479	4.8
93.07062	4.0
95.04990	1.3
95.08633	1.9
97.02874	3.2
98.06879	0.6
99.04473	0.9
101.02377	1.3
105.07014	3.4
107.08599	2.3
109.02858	0.8
109.10189	2.2
119.08603	1.0
121.10143	0.7
123.11733	0.8
126.27614	0.7
127.03982	1.5
131.08612	1.0
133.10153	4.6
138.93248	0.6
143.08536	0.8
147.46216	0.6
149.13342	0.7
151.11226	2.0
159.11754	0.8
161.22594	0.7
180.45323	0.7
185.04276	1.0
235.41435	0.7
243.08363	3.2
267.15692	1.2
288.08844	0.7
331.18942	1.8
453.21161	0.9
485.23560	8.1
549.26746	3.9
775.42218	1.3
793.43414	100.0
794.43976	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	793.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.2
61.02925	4.3
62.32050	0.4
67.05504	6.3
67.96380	0.5
69.03426	3.6
69.07062	1.8
71.04993	4.6
71.45862	0.5
72.08141	0.7
73.02911	3.3
79.05499	2.9
81.03418	2.5
81.07056	7.0
83.04974	1.4
83.08625	1.7
85.02904	5.5
85.06532	1.0
91.03950	2.9
91.05470	5.0
93.07034	4.3
95.04976	1.0
95.08617	3.1
97.02889	3.5
97.06527	1.3
98.21513	1.2
99.04435	0.8
101.02383	1.9
103.03944	0.9
105.07049	2.7
107.04988	0.8
107.08578	2.3
107.85613	0.5
109.02899	0.9
109.10162	2.0
115.03907	0.5
117.07033	0.5
119.08591	1.4
121.10152	0.9
123.11716	1.4
127.03953	1.8
131.08556	1.2
133.06548	0.8
133.10124	4.5
135.11652	1.0
138.20883	0.5
140.35059	0.5
147.11705	1.0
149.13278	0.9
151.10078	0.4
151.11244	1.4
157.10149	0.6
159.11743	0.7
183.13846	0.6
185.04247	0.9
193.12260	0.7
203.05319	0.6
204.77252	0.5
243.08403	3.5
257.17395	0.8
267.15833	1.7
272.79291	0.5
301.20236	0.5
313.17877	1.1
323.18369	0.7
331.18875	3.0
451.19275	1.0
453.21237	0.7
463.17886	0.6
485.23575	12.0
531.25842	1.7
549.26569	3.0
557.25391	0.8
582.77551	0.5
695.36133	2.1
724.36694	0.8
775.42291	11.1
793.43359	100.0
794.43787	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	792.5378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
55.05506	9.5
55.21241	0.5
56.05025	1.0
57.03432	1.2
57.05811	0.8
57.07073	16.5
65.03919	1.1
67.05501	24.9
69.07063	12.0
69.28182	1.0
69.28582	6.2
70.06589	2.6
71.04996	1.0
71.08630	11.4
72.08152	100.0
79.05495	11.5
81.03417	1.6
81.06576	1.3
81.07050	21.9
83.04983	1.7
83.08610	8.4
85.06513	1.0
85.10176	5.1
90.09206	1.0
91.05470	8.8
93.07041	9.4
95.04967	2.0
95.08605	18.8
97.06535	2.1
97.10155	6.2
99.08076	0.9
99.11746	0.6
105.07025	6.1
107.04962	1.0
107.08592	7.6
109.06494	1.6
109.10154	13.9
111.08096	0.7
111.11732	1.1
113.09637	0.7
117.06989	2.9
119.08563	4.8
121.10136	3.4
123.08065	0.8
123.11700	2.6
125.09647	2.4
131.08585	3.2
132.60385	0.6
133.10118	3.4
135.08133	0.7
135.11717	1.2
137.09628	1.4
141.61993	0.7
145.10175	2.2
147.11696	2.4
149.09631	2.1
149.13266	1.5
159.11708	2.1
161.13264	1.1
163.11206	1.6
169.10286	0.6
170.05766	36.4
171.11711	0.8
173.11732	2.5
173.13171	0.7
177.12741	0.8
179.14362	1.1
189.11319	0.8
227.12746	4.4
229.14441	2.1
239.17798	0.6
239.23773	1.6
257.18985	1.4
265.40833	0.6
275.20065	8.1
281.82733	0.6
293.21118	1.4
313.27325	12.2
330.74887	0.6
331.22827	0.9
349.23685	5.2
409.33020	0.8
467.37338	21.5
483.36981	3.0
491.41306	1.0
507.40448	30.6
569.45746	4.7
587.46655	30.4
587.56317	1.4
588.47009	1.9
605.47693	22.2
623.48450	2.4
636.42529	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.2
57.03434	14.2
57.07068	2.7
61.02922	3.9
65.03941	2.6
67.05499	72.0
69.07065	18.5
71.04970	3.1
71.54228	1.1
71.54577	1.0
79.05486	45.4
81.07050	74.2
83.04988	2.6
83.08604	10.3
85.02895	3.6
85.06525	2.2
87.47233	1.2
91.03957	1.5
91.05469	26.3
91.06000	1.7
93.07036	54.9
95.04971	5.2
95.08595	59.4
97.02896	1.4
97.06516	3.8
97.10162	3.4
99.08140	1.4
105.07017	20.7
107.08585	30.7
109.06507	2.8
109.10146	26.9
111.08068	2.4
117.06993	7.5
119.08571	18.7
121.10127	26.1
123.11723	8.2
129.06984	1.7
131.08557	13.2
133.10133	17.0
135.11664	17.7
137.09691	1.2
137.13254	3.5
143.08543	1.9
145.10115	9.5
147.11668	9.9
149.13214	8.8
151.14824	1.9
157.10144	3.2
159.11708	9.6
161.13226	8.4
163.14804	6.0
170.41020	1.2
171.11728	2.2
173.13232	7.7
175.14841	3.9
177.16368	1.8
185.13321	1.9
187.14853	3.6
189.16489	1.7
199.14842	2.7
201.16533	1.3
207.04372	1.1
213.16396	1.2
219.17441	1.3
231.21172	1.3
241.19580	3.8
243.21104	6.4
259.20535	8.4
261.22107	18.7
263.23642	2.7
317.24615	2.8
333.24265	4.8
335.25772	100.0
337.27365	9.2
367.15509	1.1
443.15387	1.2
521.43274	2.4
523.79053	1.2
595.47083	15.2
613.47748	9.7
649.34802	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	8.7
55.05263	2.5
55.05507	30.1
56.96568	3.4
57.03434	20.0
59.04985	3.4
61.02910	5.5
61.45276	2.0
65.03919	4.7
66.02925	1.7
67.05498	100.0
69.03415	9.0
69.06718	2.1
69.07066	25.2
71.04980	8.7
71.59645	2.6
73.02893	3.1
79.05483	55.7
81.03409	75.4
81.07051	72.7
83.04973	24.1
83.08615	42.7
85.02899	33.3
85.06505	4.7
91.03951	3.9
91.05473	62.0
93.07037	51.4
93.07616	2.8
95.04961	34.2
95.08595	32.4
97.02903	9.1
97.06529	12.4
97.10144	9.5
99.08093	3.7
101.23570	2.0
105.06377	3.3
105.07024	41.1
107.04987	9.4
107.08573	32.4
109.06532	11.0
109.10143	47.8
111.08064	17.7
113.06020	4.2
115.01038	1.8
117.07020	11.5
119.08571	40.8
121.06476	2.4
121.10142	20.2
123.08041	2.5
123.11725	4.2
125.05940	1.9
125.09640	8.0
127.03896	3.7
129.07007	14.3
129.88232	1.9
130.07765	2.1
131.08575	23.7
133.06447	4.5
133.10120	25.0
135.08066	5.5
135.11670	8.3
137.06036	2.8
137.09578	5.8
142.07808	4.7
143.08510	3.7
145.10117	12.5
147.04503	2.4
147.08035	5.5
147.11694	26.7
149.09616	13.5
149.13216	7.0
151.11130	3.0
155.08537	4.5
157.10100	19.5
159.11720	7.5
163.11229	5.3
165.12776	3.4
171.11681	2.7
173.11765	11.2
173.13086	3.4
175.11182	18.8
189.00638	1.9
189.11240	4.6
193.12231	54.3
195.13864	2.7
201.12816	2.0
211.11282	4.1
211.13277	61.9
211.15276	4.0
227.12781	9.7
229.14342	30.1
257.18954	5.2
263.32233	2.5
267.08984	6.8
267.15894	32.9
269.17453	19.1
275.20047	30.8
285.10162	10.3
285.16916	60.7
293.21118	5.3
349.23743	24.1
367.24734	11.3
382.09479	2.2
413.21469	2.1
421.25806	15.2
439.26868	88.1
439.32916	4.8
443.27771	2.2
446.19754	3.4
456.75476	2.1
461.28799	18.8
479.30038	63.9
541.35400	19.4
559.36230	52.1
577.37183	17.5
583.31274	3.9
585.28522	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	791.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05516	5.6
57.03429	3.5
57.07072	1.4
61.02928	7.4
61.54628	1.0
63.55251	1.2
65.03915	1.2
67.05505	12.4
68.05811	1.2
69.03430	4.9
69.07076	4.1
69.33902	2.1
69.34315	9.6
71.05003	3.2
72.08153	2.4
72.26981	1.0
73.02922	6.1
76.49418	1.0
79.05500	9.6
81.03420	7.8
81.07056	12.7
83.04993	2.7
83.08629	3.5
85.02901	7.6
85.06553	1.4
87.04494	1.7
91.03970	3.8
91.05474	9.6
93.07040	11.3
95.04975	5.2
95.08600	7.8
97.02901	8.8
97.10188	2.8
99.04485	2.0
99.08102	1.0
101.02401	2.0
105.07021	5.2
107.04949	3.0
107.08588	5.2
109.02831	1.2
109.10171	3.5
111.08075	1.0
112.44691	1.0
117.07003	2.9
119.08607	3.8
121.10146	2.7
123.08125	1.4
123.11771	1.2
127.03951	3.4
129.05463	1.4
131.08592	4.1
133.10172	4.3
135.11717	2.3
137.09644	1.3
145.10132	2.5
147.11729	2.5
149.09619	1.4
149.13313	1.3
151.11281	1.2
157.10194	1.0
159.11687	1.7
163.11198	2.6
171.11668	2.7
173.11827	1.5
179.14310	1.6
185.04266	4.8
201.03746	2.4
203.05327	1.5
241.06972	1.7
243.08559	5.6
247.13089	5.1
267.16000	3.7
268.16171	1.5
273.14594	1.2
275.20151	2.0
277.21640	1.2
287.16422	1.8
299.11783	1.3
301.08990	13.9
301.47305	1.1
303.15808	1.7
315.10623	3.6
345.16711	2.4
351.25449	1.5
352.25983	1.2
371.16565	2.2
373.11154	8.1
385.18274	6.6
387.12628	1.5
391.17639	1.8
413.18091	3.0
429.17389	2.3
429.26352	3.0
433.16650	1.3
437.20923	1.2
455.19043	2.4
461.16022	3.0
465.20935	21.2
475.26935	1.8
481.20612	9.6
495.21957	11.4
496.22778	1.6
496.75684	1.4
518.36115	1.4
524.22430	6.8
535.20624	1.2
537.22717	7.1
543.37085	3.6
544.37335	9.3
565.30585	6.1
567.27228	1.9
579.31622	5.0
580.31885	1.4
607.31152	4.3
608.31848	2.9
612.31604	1.3
625.32025	2.1
637.31854	6.4
663.33704	2.0
693.32581	3.2
705.34521	55.1
706.34711	2.0
773.41174	3.6
791.41565	100.0
792.41467	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	791.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05515	1.2
56.96568	1.7
57.03427	0.8
61.02934	0.5
67.05511	4.2
68.05839	0.5
69.03381	0.4
69.07071	1.6
71.04994	1.4
71.59219	0.6
72.08147	0.4
72.89320	0.4
79.05495	3.0
80.05846	0.4
81.03420	0.5
81.07058	6.3
82.07378	0.9
83.04977	0.9
83.08610	0.8
85.02888	0.5
85.06517	0.4
91.05484	2.4
93.07034	2.7
94.07336	0.5
95.04973	0.9
95.08612	1.5
97.06514	0.6
97.10176	0.4
98.97602	0.6
105.07046	2.1
107.04970	0.7
107.08606	1.6
109.06551	1.1
109.10168	0.8
114.69622	0.4
117.07045	0.6
119.08602	0.9
121.10136	0.6
122.64047	0.4
123.11717	0.9
125.09666	0.4
129.43152	0.4
131.00185	0.9
131.08585	0.8
133.10164	1.2
134.99561	0.4
135.42578	0.3
145.10130	0.6
147.11716	0.9
149.00253	0.4
149.01154	1.8
149.13268	1.1
159.11772	0.5
163.11246	0.4
167.02284	0.6
171.03339	0.6
177.00743	0.5
217.07402	0.4
251.09622	0.5
269.10553	1.9
269.17401	0.4
275.20148	1.3
276.20435	0.5
281.10568	2.2
287.11844	0.8
293.05457	1.2
299.11746	1.2
301.20535	0.5
302.20691	0.4
323.11737	0.8
331.15933	0.7
349.16925	2.0
367.17938	0.5
481.18527	1.3
487.18494	0.8
496.33316	0.5
499.18558	2.9
517.34912	0.8
518.35651	1.7
543.36548	0.5
544.37177	1.7
562.38220	1.5
567.25305	1.4
576.39606	0.9
705.34729	0.6
791.39758	100.0
792.40186	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	791.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.4
58.99864	1.9
69.03421	1.5
69.48611	2.7
69.49023	8.8
73.75189	1.2
75.25718	1.1
77.00903	6.8
85.02885	2.4
88.54600	1.0
91.05448	1.9
91.82882	1.0
94.04192	1.1
95.01939	3.1
97.02908	1.6
98.97578	1.9
101.00848	1.6
105.00349	1.3
107.04945	17.1
118.01131	2.2
119.01131	1.7
119.01916	20.7
119.04916	1.2
121.57417	1.2
123.04377	1.3
131.01889	4.0
131.04988	1.1
135.01408	8.2
137.02946	6.9
142.01147	1.3
143.01897	2.7
147.01399	4.2
149.03043	1.1
150.99138	1.2
153.02490	16.1
157.03479	1.2
159.00069	1.1
159.01382	6.4
159.02634	1.3
160.02171	2.3
161.02946	6.2
163.00798	1.6
165.03931	4.2
166.60277	1.1
167.05521	3.0
171.05095	2.2
177.02423	8.6
177.03972	3.9
181.03455	5.1
183.05026	7.0
185.06578	19.6
187.04402	1.3
189.04030	2.3
193.01891	4.4
193.03319	2.0
195.05016	100.0
196.05260	3.1
197.02953	1.5
197.06593	4.0
199.04506	8.4
203.07629	1.8
204.07436	1.0
205.03479	1.3
206.04227	2.1
207.05002	14.8
209.02966	1.9
209.06683	2.3
211.02753	1.8
211.04515	5.1
213.06070	32.1
213.09274	1.3
214.03127	1.6
214.06102	1.3
218.04242	2.6
218.06593	1.7
219.01869	1.5
219.05034	5.6
219.88803	1.1
223.04536	8.3
225.06081	19.8
226.98611	2.4
229.05562	6.9
235.04518	16.8
236.05191	3.6
237.06084	6.1
239.04008	5.8
241.05556	3.8
243.07178	16.3
244.99678	1.5
248.05115	1.5
249.06120	5.2
251.03938	6.9
253.05554	52.1
254.05801	1.7
257.05032	10.6
265.05713	1.7
266.06396	3.5
267.07117	5.5
269.04993	7.6
271.06589	36.8
272.06995	1.5
273.09720	1.3
276.07092	1.6
277.05420	1.7
279.03537	2.3
281.05035	6.2
283.06757	4.7
285.09720	1.2
293.04980	4.9
295.06625	4.6
297.04504	33.6
298.04688	1.8
301.09335	2.9
303.11017	1.4
305.41748	1.5
311.06021	25.8
312.06186	1.3
313.09167	1.4
315.05585	3.7
320.06088	1.7
334.07672	1.8
337.03833	1.5
341.08664	3.1
343.10120	3.4
353.08667	3.3
355.05060	12.0
359.09586	8.4
369.08234	3.6
371.09634	4.0
373.06161	10.3
387.09253	10.4
394.90994	1.4
397.07278	2.0
401.06158	6.0
401.10931	6.2
403.08591	2.1
405.10345	1.7
411.09213	5.7
415.08801	24.0
427.08646	1.4
429.10278	13.7
433.09665	3.4
438.10214	1.7
445.09695	4.6
455.08569	1.5
459.07825	13.8
463.10800	2.3
473.09253	47.6
474.09503	1.9
477.08792	18.3
479.04150	2.2
491.10352	11.7
517.08386	12.2
535.09229	38.4
536.09247	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	790.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.8
57.03434	2.1
57.06872	0.9
57.07079	11.3
67.05501	16.8
67.60043	1.0
69.07070	7.6
70.06603	2.2
70.85525	2.5
70.85896	2.2
71.08640	7.3
72.08154	100.0
79.05484	13.5
81.03412	2.8
81.07058	24.5
83.04996	3.9
83.08605	6.8
85.02943	1.1
85.06535	1.7
85.10162	3.7
88.78523	1.2
90.08202	1.2
91.05484	6.7
93.07043	8.0
95.04964	3.5
95.08599	16.3
97.10168	8.7
105.07005	5.3
107.04948	2.1
107.08603	7.2
107.92413	1.1
109.06554	2.5
109.10149	6.7
111.04459	4.6
111.08068	1.4
117.07014	1.4
119.08603	5.2
121.06528	1.3
121.10175	4.2
123.08074	3.5
123.11715	2.3
125.09660	5.5
131.08578	3.5
133.10109	2.5
135.11716	2.4
143.08527	1.4
145.10112	2.8
147.11693	1.6
149.09618	2.3
153.12827	1.7
163.11118	1.6
166.35130	1.2
170.05754	24.0
173.09560	1.5
181.12282	1.4
188.77487	1.1
189.11182	5.5
227.12714	5.8
273.00595	1.3
273.18549	4.6
275.20099	1.3
283.15503	1.7
291.19565	12.7
309.20465	1.6
313.27362	9.2
347.22037	2.3
365.23373	5.5
377.15897	1.3
603.46173	18.7
621.47241	40.5
796.73889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	6.1
55.05509	26.8
56.49276	1.8
56.96536	2.0
57.03431	16.1
57.07064	2.7
61.02907	5.7
63.63646	1.9
65.03925	4.2
67.05502	81.4
69.03425	6.3
69.07063	25.7
69.91219	6.0
69.91629	4.9
71.04985	25.6
73.02923	2.9
79.05494	57.5
81.03418	34.7
81.07053	100.0
82.14909	2.0
83.04981	11.3
83.08603	23.9
85.02900	3.5
85.06530	8.2
91.05478	61.2
93.07041	58.7
95.04968	22.2
95.08601	41.2
97.02905	4.3
97.06541	14.0
97.10164	11.3
98.21502	2.0
99.08093	3.2
103.03913	2.3
105.04511	3.1
105.07028	43.1
107.04936	5.7
107.08595	37.7
109.06512	8.1
109.10152	21.3
111.08066	7.0
117.07027	20.2
119.08579	32.9
121.06519	6.6
121.10137	27.2
123.08064	8.3
123.11681	11.2
125.09630	13.3
127.03963	2.2
129.06998	12.3
131.08559	30.3
133.10129	33.2
135.08029	5.1
135.11668	15.8
137.09608	5.1
141.06987	2.8
142.07802	2.7
143.08543	9.7
144.09290	2.8
145.10127	20.3
147.08049	4.0
147.11691	17.6
149.09602	8.5
149.13248	9.3
151.11183	5.9
155.08566	7.5
157.10077	11.3
159.11682	16.5
161.13239	7.9
163.11220	7.4
165.12796	2.2
168.09300	2.2
169.10146	6.4
171.11664	10.2
172.10197	2.1
173.11871	3.6
173.13298	6.8
175.11172	4.3
177.12735	3.1
181.10168	3.4
183.11633	4.8
185.13280	5.2
187.11269	2.3
187.13275	4.2
187.14847	4.2
189.11221	4.3
193.12274	6.3
195.11723	3.8
195.13786	4.3
197.13234	5.2
199.14850	3.4
223.13191	3.1
227.12828	11.8
229.14285	2.6
243.15924	3.4
257.19031	4.7
259.20639	8.8
267.15915	14.7
269.17395	11.7
275.20044	19.9
283.20721	2.8
285.16656	2.5
291.19513	4.3
299.23697	4.2
301.20068	16.2
306.77545	2.5
331.22937	2.6
333.24222	8.0
349.23755	11.0
421.25595	3.6
423.27411	4.7
427.27063	2.8
433.11237	2.3
433.30927	7.0
437.29068	16.0
449.28931	7.5
451.31747	11.4
459.31021	2.3
463.30426	10.1
469.33176	3.5
481.31750	3.8
495.33255	18.0
515.38019	2.7
517.35254	25.7
525.35876	37.9
531.36719	3.4
535.35980	8.1
543.36792	76.5
544.36682	3.7
557.37982	6.6
561.37817	5.1
575.39410	21.6
581.33331	2.3
593.39703	3.6
790.42059	3.9
791.39789	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	790.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.4
55.05258	1.4
55.05506	18.1
57.03435	10.3
57.07071	2.1
59.04993	2.3
61.02913	3.7
65.03925	3.2
67.05499	67.9
68.05806	1.1
69.03418	8.2
69.06716	1.6
69.07066	22.8
69.27686	8.6
69.28091	2.0
70.47858	1.1
71.04989	30.8
73.02914	2.7
74.31153	1.0
79.05486	40.0
81.03416	9.1
81.07050	100.0
83.04970	9.3
83.08617	11.9
85.02898	6.2
85.06537	8.6
87.04460	1.4
91.03944	1.6
91.05473	42.3
93.07036	43.7
93.07626	2.3
95.04971	10.4
95.08596	21.2
97.02887	4.2
97.06522	11.8
97.10165	5.7
99.04486	1.2
99.08081	2.7
105.07021	26.8
107.04945	5.0
107.08589	31.4
109.02884	1.7
109.06496	5.8
109.10142	12.7
111.04433	1.5
111.08073	4.7
115.05439	1.2
117.07015	13.2
119.08575	14.1
119.09361	1.9
121.06515	3.3
121.10124	12.5
123.08067	2.9
123.11689	12.4
125.09637	5.4
127.03910	2.7
129.05466	1.1
129.06992	3.9
131.08559	13.2
133.10127	26.6
135.08040	3.2
135.11664	12.4
137.09631	2.2
141.06961	2.1
143.08551	3.1
145.06467	1.2
145.10126	10.0
147.08009	1.2
147.11694	7.7
149.09579	9.7
149.13287	10.7
151.11159	7.8
155.08534	1.5
157.10103	3.9
159.11676	12.5
161.09540	1.5
161.13252	4.1
163.11176	5.8
165.12694	1.3
169.10089	2.4
171.11723	2.4
173.04428	1.4
173.13252	3.3
177.12698	5.0
179.14301	2.5
183.11617	2.4
183.13771	4.1
185.13255	1.3
187.13321	5.5
187.14687	1.4
195.13795	5.0
201.12772	1.3
201.14798	1.4
223.13239	1.3
225.14809	2.9
227.12732	7.4
243.15875	4.1
247.20587	1.4
251.16376	1.1
253.18060	1.2
255.15816	1.9
257.17014	1.8
257.19269	2.6
259.20392	1.1
269.17413	12.3
275.17178	1.9
275.20035	18.6
293.20969	2.2
301.20007	22.0
331.22681	1.8
349.23672	15.4
395.20300	1.4
397.25436	1.2
423.27292	6.8
427.26605	2.3
437.28973	20.6
445.29526	1.8
449.28894	17.9
451.30560	6.5
457.18887	1.1
461.28641	1.3
463.30444	16.8
466.21411	1.9
481.31265	5.0
489.35330	1.6
495.33170	32.6
499.34042	4.2
517.35242	36.0
518.35339	1.1
520.22223	1.3
525.35638	2.4
531.36676	4.6
533.12335	1.2
535.36292	1.5
543.36768	16.0
549.37408	1.6
561.37860	2.0
575.39484	14.1
581.32397	2.4
593.40417	2.3
607.34564	2.6
622.00067	1.1
744.36340	5.3
759.94092	1.0
790.41022	9.0
791.39624	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	790.4935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.2
55.05257	0.9
55.05505	13.0
56.68459	0.5
56.96549	0.8
57.03431	6.9
57.07061	1.2
59.05000	0.8
61.02908	2.2
65.03947	1.6
67.05496	48.9
69.03403	3.3
69.07059	15.0
71.04985	18.5
71.08620	0.7
71.59895	0.7
73.02905	0.8
73.06560	1.0
77.39721	0.5
79.05483	26.6
81.03410	3.7
81.07045	100.0
82.07367	1.0
83.04954	5.6
83.08605	10.8
85.02898	2.2
85.06527	8.1
91.05466	28.2
93.07030	25.6
93.07622	1.2
95.04960	7.6
95.08593	20.2
96.66012	0.6
97.02885	1.7
97.06512	7.3
97.10164	2.0
99.04464	0.9
99.08083	2.1
101.25533	0.5
105.07019	24.9
107.04939	5.2
107.08579	17.2
107.09288	1.1
109.06507	17.6
109.10143	10.1
111.04451	0.6
111.08051	3.5
113.05987	1.0
113.09610	0.7
115.05338	0.5
117.06999	7.7
119.08565	17.3
121.06496	3.9
121.10126	13.1
123.04414	0.8
123.08093	4.4
123.11689	12.8
125.09620	2.0
127.03895	0.6
127.07558	0.9
129.07002	2.4
131.08546	10.9
133.06516	1.2
133.09105	1.0
133.10114	19.3
135.08063	4.1
135.11658	5.5
137.09633	2.2
137.13228	0.7
139.11131	0.9
141.06912	0.6
143.08554	2.7
145.10110	7.4
147.08041	2.0
147.11676	12.3
149.01183	0.8
149.09608	5.0
149.13242	8.9
151.11154	7.4
155.08586	0.6
157.10136	2.2
159.11668	9.9
161.09622	0.9
161.13255	2.3
163.11137	4.8
163.14825	1.5
165.12694	2.7
169.10068	1.3
169.12289	1.0
171.11737	2.0
173.09662	0.7
173.13232	3.0
175.11224	1.7
175.14813	0.7
177.12761	3.0
178.11877	0.5
182.84589	0.5
183.11682	1.5
183.13818	1.5
185.13281	1.1
187.11514	0.9
187.13303	4.5
187.14850	1.7
189.12680	0.7
193.12259	0.9
195.13773	2.6
197.13274	1.1
201.12798	1.1
201.14734	0.9
207.13675	0.7
215.14142	0.8
225.14862	2.5
229.19545	1.8
239.18004	1.2
241.14491	0.8
243.15855	11.4
247.20668	2.5
251.16470	0.9
251.73051	0.6
257.17151	1.3
257.19388	1.1
258.14096	0.6
267.15839	3.0
269.17407	12.0
269.20084	0.8
272.46484	0.6
275.20026	35.0
281.10699	1.3
293.21103	4.8
301.19974	21.3
319.22809	0.8
325.85107	0.6
336.77802	0.6
345.49319	0.6
349.23718	15.8
352.86511	0.6
367.24713	9.1
375.25320	2.3
437.29108	0.8
443.31747	0.9
487.33948	0.7
499.18057	0.7
499.34457	1.3
517.35205	45.6
518.36066	0.9
525.35803	1.2
531.36743	4.2
535.36267	8.0
543.36719	43.5
544.37415	1.1
549.37848	2.3
561.37787	29.7
575.39380	22.3
593.40332	13.2
790.40979	1.2
791.25409	1.2
791.39655	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	790.4931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.3
55.05512	37.2
57.03434	16.9
57.07063	4.1
59.04705	1.9
59.05001	35.9
61.02938	4.0
62.60410	1.5
65.03944	3.4
67.05505	100.0
69.03428	6.0
69.07063	18.0
69.41602	12.0
69.42012	3.4
71.05004	11.1
72.08158	4.4
79.05492	50.8
79.41898	1.7
81.03422	6.7
81.07058	63.5
83.04990	6.5
83.08621	15.5
84.21658	1.6
85.02911	6.1
85.06554	5.0
87.03933	2.7
87.04468	54.2
91.05480	31.4
93.07050	40.9
95.04980	9.4
95.08611	38.6
95.09061	1.2
97.02886	3.8
97.06515	2.8
97.10172	20.1
99.04449	16.8
99.08087	2.1
100.57780	2.2
105.07027	13.3
107.04965	2.2
107.08598	30.2
109.06577	2.5
109.10158	55.6
111.04423	3.5
111.08098	2.6
114.88889	1.7
117.07005	6.9
119.08582	19.9
119.09340	2.0
121.10144	20.8
123.08095	2.4
123.11731	3.2
125.09615	17.6
128.37869	1.9
129.07005	4.6
131.08578	10.8
133.10158	9.5
135.11708	10.8
137.09671	2.3
137.13216	2.0
143.10655	1.9
145.10112	10.5
147.08087	1.7
147.11664	8.8
149.09718	2.5
149.13289	6.0
153.12766	2.7
159.11731	6.1
161.13257	5.1
163.11223	5.7
171.11710	2.7
173.11748	18.8
173.13289	4.5
173.64743	1.6
175.14833	2.2
177.12726	2.3
187.14771	2.0
193.12238	4.1
199.13286	12.0
209.11774	2.8
217.14365	2.6
227.12770	5.3
229.14339	38.0
233.22551	1.8
241.14371	5.6
243.20972	4.2
259.20706	2.5
261.22150	15.3
267.15988	5.1
315.18173	9.8
317.24664	1.8
333.24219	2.2
335.25790	66.5
363.25348	4.7
459.34705	2.6
477.35654	21.6
489.35812	44.1
520.21735	2.0
543.36792	2.5
575.39142	3.0
760.17828	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	790.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	6.3
55.05510	41.2
55.80531	1.6
57.03435	19.1
57.07060	4.0
57.52207	1.4
59.04998	36.7
61.02933	1.9
65.03931	4.5
67.05502	100.0
68.05821	1.3
69.03415	4.9
69.07066	17.7
70.20490	1.6
71.04987	8.2
71.08618	2.4
71.59422	1.1
71.59982	1.8
72.08152	2.5
73.02900	1.8
79.05487	46.2
81.03415	9.5
81.07054	65.6
83.04976	4.8
83.08605	17.4
85.02885	8.0
85.06526	3.2
85.10139	1.4
87.04464	54.2
89.06026	2.2
91.05476	28.8
93.07040	44.9
94.07388	2.4
95.04975	9.5
95.08601	43.2
97.02885	5.2
97.06529	5.8
97.10170	18.3
99.04445	17.0
99.08067	2.7
105.07036	16.4
107.04961	3.2
107.08595	28.1
109.06521	4.4
109.10154	65.3
111.04421	2.4
111.08082	5.4
117.07018	8.1
119.08574	19.5
121.06445	2.7
121.10138	20.7
123.08059	2.6
123.11703	5.3
125.09628	13.9
127.03920	1.9
129.06908	2.3
131.08560	11.4
133.08563	2.8
133.10110	9.6
135.08018	3.7
135.11671	10.5
137.09627	4.7
143.10638	1.7
145.10130	9.3
147.11671	9.4
149.09622	3.5
149.13281	5.7
155.08572	1.7
155.10663	2.4
157.10081	1.8
159.11714	6.6
161.13255	4.5
163.11214	4.9
163.14853	2.6
171.11674	1.7
173.11726	16.2
173.13255	5.7
175.14838	3.0
181.12263	2.0
185.13176	2.5
187.14700	1.9
191.10739	2.3
191.84042	1.5
193.12338	2.2
199.13306	9.1
217.14325	2.4
223.13237	1.6
227.12747	6.7
229.14326	39.8
229.16545	2.8
241.14276	4.5
243.21092	4.0
244.89288	1.7
257.13889	3.6
261.22159	12.7
267.15881	4.9
275.20151	3.1
315.17984	6.1
317.24783	2.2
335.25778	60.9
336.25961	2.5
351.25174	1.9
363.25250	4.5
477.35690	14.6
489.35733	49.7
527.37878	1.6
543.36774	3.9
575.39166	2.6
610.45300	2.3
628.46814	2.0
712.21472	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.8
55.05510	38.5
57.03436	18.3
57.07058	2.4
59.04999	30.3
61.02905	4.1
65.03932	2.2
67.05501	100.0
68.05836	1.4
69.03410	5.5
69.07062	16.8
71.04993	11.5
71.59609	1.6
72.08134	1.6
73.02905	1.9
79.05488	46.0
80.05836	1.6
81.03415	9.1
81.07052	58.5
82.79343	1.1
83.04972	5.2
83.08617	16.0
85.02905	6.2
85.06522	2.8
87.04464	47.3
89.06029	2.5
91.03948	1.4
91.05477	28.8
92.05815	1.4
93.07037	40.4
95.04985	7.7
95.08598	38.0
97.02883	4.6
97.06513	4.7
97.10164	18.8
99.04440	15.5
99.08091	1.5
105.07017	13.5
107.04931	3.4
107.08591	26.8
109.06497	3.3
109.10151	54.5
111.04416	2.5
111.08075	4.5
112.52674	1.4
117.07025	7.8
119.08576	14.8
121.06469	1.2
121.10132	20.6
121.40205	1.1
122.10442	1.4
123.08091	3.9
123.11690	5.2
125.09615	14.6
126.34898	1.1
127.03913	1.9
129.07001	4.1
131.08542	12.2
133.10123	8.6
135.08046	2.1
135.11691	12.7
137.09619	2.5
141.06985	1.4
143.08531	3.1
143.10696	2.8
145.10127	9.7
147.11673	7.8
149.09583	2.7
149.13261	5.3
155.08531	2.1
155.10674	2.5
159.11644	6.8
161.13254	4.4
163.11171	3.6
173.11734	18.2
173.13255	5.8
175.14838	1.9
181.12219	1.6
183.11630	1.4
187.14795	2.0
191.10770	1.8
193.12163	2.8
199.13280	9.6
199.14853	1.9
209.11665	1.9
217.14362	1.3
225.29471	1.2
227.12697	6.1
229.14340	40.8
241.14359	3.9
243.21078	3.3
257.13809	2.3
259.15417	1.9
259.20352	1.6
261.22159	10.6
267.15753	5.9
275.19955	2.6
277.21692	1.7
283.15390	1.9
315.18042	6.6
317.24741	2.9
335.25772	57.7
336.26096	3.5
349.23816	1.4
351.25122	1.6
363.25128	3.4
459.34509	2.0
477.35779	16.1
489.28802	2.7
489.35733	45.7
490.36618	1.6
499.08649	1.4
543.36768	3.2
561.37555	1.9
575.39417	2.6
610.44556	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	790.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	16.0
55.05268	2.5
55.05507	38.3
56.96560	5.2
57.03435	31.5
59.04989	3.2
60.15818	2.5
61.02911	9.6
62.12991	2.8
65.03931	7.9
66.03240	2.6
67.05500	89.0
69.03427	29.3
69.07059	58.4
69.52905	25.2
71.01335	2.9
71.04982	28.4
73.02902	12.2
79.05485	80.7
81.03412	93.2
81.07051	91.8
83.04977	28.2
83.08609	32.1
85.02893	31.5
85.06535	6.1
87.04464	3.3
87.42861	2.9
91.03973	6.2
91.05472	88.5
93.07035	67.3
95.04961	50.0
95.08601	38.0
97.02905	23.2
97.05899	6.1
97.06520	100.0
97.10167	9.7
99.04436	7.0
99.08058	8.0
103.05474	4.2
105.07018	67.9
107.04943	18.6
107.08585	39.9
108.98434	3.7
109.02876	7.6
109.06504	28.4
109.10146	14.8
111.04420	6.6
111.08066	25.8
113.05994	5.1
115.05455	4.9
115.07554	27.5
117.07001	23.9
119.08572	46.5
121.06493	14.3
121.10130	28.5
123.08060	10.7
123.11656	5.9
125.09621	9.1
127.03889	10.2
127.07573	6.4
127.24174	3.2
128.06216	3.0
129.07005	20.2
131.08557	33.8
133.06491	7.7
133.10118	32.8
135.08012	13.4
135.11673	10.4
137.09605	6.6
141.07030	3.7
142.07768	6.7
143.08559	11.3
145.06477	4.9
145.10112	21.8
146.99710	3.0
147.08049	8.0
147.11682	22.8
149.09637	14.5
149.13248	8.4
151.11169	7.5
155.08556	7.7
157.10121	34.7
158.10381	2.9
159.08038	4.9
159.11665	9.5
161.09631	7.6
163.11180	11.1
165.12733	4.3
169.10127	5.5
171.11693	10.2
173.04436	5.8
173.09630	3.9
175.11212	22.8
177.00626	3.2
177.12746	4.6
185.13263	5.9
189.11252	5.2
193.12244	62.4
195.13803	6.2
199.14828	5.1
207.11723	3.6
211.13260	78.8
217.15927	16.4
227.12735	7.1
227.18118	3.1
233.15550	4.4
245.19003	7.6
249.14926	5.0
253.14330	6.3
255.17555	4.5
267.15891	37.8
269.10684	4.0
269.17407	31.2
273.18457	46.4
275.20053	4.7
283.15366	7.5
285.10263	3.6
285.16949	66.2
291.19519	31.8
307.19028	3.3
347.22131	16.0
349.23895	4.3
365.23209	14.1
383.23999	3.5
437.19858	3.2
437.25336	4.5
444.18149	11.3
444.68549	4.2
447.28534	3.1
461.28870	14.4
465.28967	3.0
477.28867	3.2
479.30023	35.4
499.30182	4.2
503.31232	3.4
517.31555	4.1
529.34546	3.3
539.33075	4.8
557.34821	20.1
575.35803	23.8
593.37170	5.6
620.67096	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	790.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	12.1
55.05511	41.8
56.17352	2.2
57.03432	17.2
59.04977	2.3
61.02914	8.9
61.07755	2.4
65.03933	3.6
67.05170	3.9
67.05502	60.9
69.03418	11.1
69.07066	22.0
69.31962	3.3
69.32369	20.7
71.04980	9.2
73.02939	2.8
78.00669	2.4
79.05489	66.6
81.03414	69.6
81.07054	100.0
81.96368	2.3
83.04972	28.6
83.08611	38.8
85.02897	31.1
85.06524	5.1
87.04463	2.6
91.03958	5.4
91.05473	58.8
93.07034	46.0
95.04964	44.6
95.08138	2.4
95.08607	28.7
97.02876	8.4
97.06527	13.0
97.10171	30.0
99.04446	3.1
99.08070	4.2
105.06380	3.4
105.07029	46.5
107.04939	15.9
107.08585	32.4
109.06511	15.8
109.10131	16.5
111.04416	14.9
111.08067	17.1
113.05947	3.3
115.05437	3.7
117.07023	13.1
119.08571	45.8
121.06496	11.0
121.10136	22.0
123.08059	31.3
123.11700	4.5
125.09633	22.5
127.03864	2.2
129.06978	17.9
131.08557	22.9
133.06480	7.5
133.10135	19.6
135.08034	9.4
135.11682	9.7
137.09610	8.2
139.11147	3.0
141.06920	3.1
143.08553	7.5
145.10107	17.9
147.08023	14.6
147.11691	22.1
149.09637	10.6
149.13234	3.2
151.11172	3.2
152.54141	2.6
153.09079	3.7
153.12735	6.4
155.08530	3.0
157.10083	16.5
159.08089	2.5
159.11624	6.2
161.09613	9.9
163.11172	20.8
165.09082	3.8
165.12701	4.9
171.11714	3.2
175.11180	16.9
181.10213	2.3
181.12213	9.0
182.44374	2.4
185.09566	2.7
185.13193	3.6
189.11250	19.9
191.10635	6.4
193.12227	45.4
211.13292	56.1
213.12814	2.4
223.13321	5.2
227.12749	28.7
237.16602	2.7
245.19051	3.8
246.68736	2.2
249.14899	2.1
255.17574	4.4
267.15912	33.0
273.18484	44.1
281.10422	3.4
283.15265	5.9
285.10129	4.0
285.16946	73.4
291.19525	76.9
291.22809	4.1
309.20389	11.0
313.22028	2.7
347.22208	13.7
364.49835	2.5
365.23184	37.4
383.24292	16.5
427.18030	3.7
447.28452	3.6
452.19836	5.7
455.26031	3.1
465.30032	3.5
539.33429	9.7
557.34705	28.4
575.35773	51.9
593.36835	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	17.9
55.05255	3.2
55.05509	45.7
57.03440	26.4
57.07074	4.1
59.04987	2.7
61.02913	5.1
65.03939	7.1
67.05503	95.9
69.03429	14.1
69.07066	31.7
71.01341	4.2
71.04999	13.4
72.88770	1.5
72.95845	1.6
73.02914	6.8
77.03957	1.8
79.05492	80.6
81.03414	52.8
81.07055	100.0
82.04203	2.0
83.04978	27.7
83.08622	27.6
85.02907	13.6
85.06556	5.7
87.04471	2.0
88.68748	1.7
91.03950	3.7
91.05477	79.8
93.07038	70.2
95.04966	38.0
95.08607	39.2
96.48743	1.9
97.02886	13.7
97.06518	21.2
97.10166	16.6
98.07305	2.7
99.04482	3.5
99.08077	3.2
103.05481	2.5
104.12863	1.7
105.04540	1.7
105.07026	44.2
107.04955	19.7
107.08593	47.8
109.02872	2.5
109.06524	15.3
109.10154	27.1
111.04433	4.6
111.08076	13.9
113.06102	1.9
115.05450	5.1
116.04699	5.8
117.07023	19.5
119.08592	34.5
121.06516	6.3
121.10159	24.9
123.08060	10.0
123.11711	6.5
125.09613	17.5
127.03945	2.9
128.06219	2.7
129.05487	13.5
129.06978	12.8
131.08578	24.2
133.06462	3.6
133.10120	37.2
135.08063	11.5
135.11679	24.3
137.09647	6.1
142.07793	2.6
143.07037	2.5
143.08571	7.8
145.06462	3.4
145.10123	19.6
147.08043	6.8
147.11699	17.8
149.09618	14.0
149.13271	17.7
151.11185	7.2
153.09047	2.7
153.12735	3.0
155.08542	3.1
157.08614	5.6
157.10141	9.3
159.08064	2.9
159.11681	13.3
161.09573	3.6
161.13293	3.6
163.11150	17.1
165.09158	1.9
165.12784	4.5
169.10060	2.8
171.06494	2.5
171.10306	4.3
171.11653	3.8
173.09610	3.9
173.11766	5.8
173.13234	3.5
175.11179	8.4
177.12787	3.9
179.14294	3.1
181.12186	3.8
183.11565	2.6
183.15367	1.7
187.13210	2.0
187.14830	2.0
189.11206	5.1
189.12756	3.5
191.10684	3.6
193.12228	18.4
195.13881	8.0
197.13123	1.9
199.13220	10.7
208.09676	1.7
209.11688	5.4
211.13277	19.5
217.14537	1.9
227.12811	13.9
229.14384	7.0
243.15955	3.8
247.18007	1.8
247.20567	2.3
253.14407	9.2
255.15863	11.7
257.19055	5.4
259.20572	5.0
267.15909	22.6
269.17441	30.5
273.18570	8.0
275.20074	18.1
283.15387	9.7
285.16965	14.7
291.19537	8.4
299.14932	2.4
301.13071	1.7
301.16446	30.6
301.19843	2.1
333.24298	1.8
347.22064	2.5
349.23862	11.0
365.23288	5.6
393.26306	2.7
399.23752	2.3
409.26068	2.0
413.21976	3.2
423.27283	11.5
434.81851	1.9
437.29477	2.4
447.27271	3.9
453.29102	2.6
461.28821	4.6
463.30307	7.0
477.28381	7.3
478.29361	2.3
481.27979	5.8
495.29291	24.0
541.34869	1.9
543.36554	5.3
557.34607	10.2
559.35870	5.1
575.35181	12.6
593.36926	8.8
707.99939	1.9
790.40106	7.3
791.41760	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	790.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	19.2
55.05256	3.3
55.05507	45.2
56.96562	1.6
57.03436	27.8
57.07084	3.2
59.04984	2.3
60.53976	1.8
61.02932	9.3
65.03935	5.6
67.05502	100.0
69.03423	13.8
69.07066	56.8
69.51022	9.0
69.51435	4.0
71.01345	5.4
71.04991	12.1
73.02898	5.4
77.03912	3.2
79.05489	81.0
81.03416	66.3
81.03904	2.0
81.07055	97.9
82.04185	2.4
83.04984	27.6
83.08615	30.2
85.02900	25.1
85.06507	3.8
91.03946	2.4
91.05476	87.0
93.07039	69.0
95.04965	43.5
95.08603	47.4
97.02881	12.7
97.06531	26.3
97.10159	16.1
99.04453	2.5
99.08092	5.9
103.03948	1.9
103.05448	3.6
105.04546	3.1
105.07026	66.6
107.04950	21.6
107.08595	37.3
109.02868	2.0
109.06522	12.6
109.10149	35.1
111.04451	6.5
111.08087	15.1
113.06020	3.5
115.05441	4.7
116.04696	3.0
117.07023	15.7
118.03468	1.6
119.04961	1.6
119.08575	48.3
121.06497	8.3
121.10143	23.3
123.08041	9.7
123.11682	6.0
125.09626	12.2
127.03853	4.3
127.11144	1.9
128.06207	2.3
129.05476	15.1
129.06992	19.3
130.07834	2.3
131.08562	25.1
133.06490	3.5
133.10124	42.1
135.08051	6.5
135.11682	14.6
137.09613	14.6
139.07533	1.8
139.11195	1.9
141.06998	2.6
142.07777	4.7
143.07011	3.0
143.08548	4.9
145.10117	21.7
147.08043	5.5
147.11694	27.5
149.09612	21.0
149.13240	6.3
151.11168	4.8
153.09209	2.2
153.12640	2.2
157.08752	4.1
157.10132	17.6
159.11697	13.5
161.09572	4.0
161.13261	7.1
163.11168	13.6
164.12064	1.9
165.09013	2.8
165.12793	4.3
167.08472	1.7
169.10071	1.8
171.10182	3.3
171.11661	4.0
173.11732	7.1
173.13269	5.9
175.11189	22.7
177.12776	4.7
179.14278	5.4
181.12260	2.7
183.11751	2.2
187.11221	2.9
189.11229	7.1
193.12228	46.9
195.13916	3.7
197.13162	2.3
199.13257	3.4
200.64636	1.8
205.15831	1.9
207.13715	2.0
209.11897	2.2
211.13287	47.2
211.15210	3.0
227.12805	14.7
227.17667	1.8
229.14368	7.2
229.19553	1.8
233.50665	1.7
247.20567	3.5
253.14326	6.6
255.09212	2.0
255.15894	6.7
257.19037	7.6
259.20474	3.4
267.15921	27.0
269.17505	9.6
273.18512	3.0
275.20038	33.8
275.22775	3.1
283.15503	4.3
285.16962	35.0
291.19315	9.5
293.20966	4.3
301.16446	22.1
331.22690	2.1
349.23709	39.9
365.16165	2.0
365.23264	4.9
381.22897	4.4
383.24219	1.8
404.19489	5.3
404.69577	2.3
421.25580	3.7
439.26862	14.4
443.22720	2.3
463.30402	7.0
465.20859	1.8
479.30063	2.0
481.27527	2.9
495.29111	9.0
532.63043	1.9
541.35168	11.4
557.34497	6.7
559.36353	30.7
575.35712	14.5
593.36823	3.0
620.24170	1.9
791.40723	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	789.2078
Annotation	Quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucosyl-(1->2)-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01859	0.5
57.03427	0.7
61.02933	1.1
67.42603	0.1
68.99791	0.3
69.03423	2.3
70.47705	0.5
71.04959	0.2
73.02914	0.2
81.03401	1.1
83.01343	0.2
85.02898	9.8
87.04467	0.2
87.57204	0.1
90.42898	0.1
91.03940	0.4
93.03367	0.2
95.04942	0.3
97.02884	3.0
99.04443	0.3
100.84382	0.1
104.68777	0.2
109.02867	1.3
111.00787	0.7
121.02832	0.7
123.04411	0.2
127.03915	2.0
135.04388	0.2
137.01340	0.2
137.02321	2.8
139.03954	0.2
145.04936	2.1
145.06627	0.2
147.02328	0.1
149.02324	0.4
153.00574	0.2
153.01813	3.6
155.04845	0.1
161.05956	0.2
163.03889	0.6
163.05951	0.3
165.01828	1.5
166.02577	0.2
173.05954	0.3
179.03300	0.2
183.02870	0.7
183.04375	0.3
187.03929	0.2
193.74323	0.1
195.02904	0.2
201.05429	1.3
215.03380	0.2
219.06493	0.3
224.94949	0.2
228.04155	0.2
229.04938	3.9
242.95982	0.2
247.05891	0.7
257.04376	2.6
274.04745	0.8
275.05441	0.3
285.03943	1.4
303.04959	100.0
304.05325	2.5
315.04977	0.3
345.05917	0.4
369.06122	0.2
404.03537	0.1
465.10266	14.1
466.10349	0.4
627.15240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.5137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	31.3
55.05503	36.6
57.03424	12.2
57.07061	4.2
61.02919	19.5
65.03927	6.7
67.05499	100.0
69.03419	12.9
69.07063	33.8
70.17949	6.7
70.18372	3.4
71.04973	5.7
72.08143	17.5
73.02905	3.7
73.21817	1.9
75.73312	2.2
79.05486	87.2
81.03412	11.4
81.07050	77.6
83.04992	10.8
83.08606	19.6
85.02904	14.4
85.06539	3.5
85.07410	2.1
91.03944	7.9
91.05470	58.2
93.07032	75.2
95.04978	17.5
95.08602	52.9
97.02872	13.4
97.06519	48.8
97.10165	24.6
99.08096	2.8
105.07021	53.8
107.04940	22.6
107.08582	62.3
109.02866	4.0
109.06498	11.0
109.10148	33.9
111.08060	4.2
115.05527	2.5
117.06995	17.2
119.08576	35.8
121.06458	5.3
121.10126	36.2
123.04394	3.4
123.08014	4.2
123.11695	9.4
125.09616	18.5
127.03907	6.3
128.06200	2.5
129.07005	8.5
131.08560	28.8
133.10127	25.4
135.08009	5.2
135.11694	15.1
137.09601	3.9
141.06972	3.5
143.08534	8.5
145.06462	2.7
145.10118	28.6
147.11632	16.3
149.09607	30.1
149.13216	8.2
151.11162	3.6
153.09135	3.4
155.08434	4.0
155.62596	2.2
157.10097	7.5
159.08057	3.1
159.11670	20.7
161.09619	2.1
161.13231	6.3
163.11168	13.9
163.14764	2.5
169.10117	6.2
171.10265	4.2
171.11708	7.7
173.11800	4.5
173.13252	9.7
175.11221	4.9
175.14772	5.6
177.12711	4.7
179.14272	2.5
183.11630	3.9
185.13223	2.7
187.11183	2.3
187.13214	2.7
187.14774	4.3
189.11212	15.7
197.13203	4.5
205.12071	3.0
219.17467	2.6
227.12747	41.0
229.14362	3.0
239.17804	3.6
243.21129	2.8
247.20477	3.1
257.19034	15.4
259.20465	2.9
261.22174	11.3
275.20035	69.7
277.21594	2.6
293.21082	4.5
317.24759	4.0
333.24118	2.7
335.25751	87.4
336.26300	2.8
349.23749	42.8
351.25275	2.4
431.31509	7.2
460.84454	3.0
489.35495	3.3
505.35275	12.7
513.39014	8.0
515.37244	5.1
609.45093	48.7
610.45374	2.8
620.46063	4.8
627.45935	21.1
685.39197	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	788.4778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.9
55.05264	1.3
55.05507	16.8
57.03432	9.9
57.07067	2.0
59.04994	1.8
61.02909	3.4
63.74626	1.1
65.03918	4.1
66.04740	1.1
67.05499	77.2
67.31841	0.9
69.03423	6.8
69.06717	1.4
69.07061	16.9
69.35551	5.4
69.35983	3.2
71.04984	38.3
72.08150	1.4
79.05485	37.4
81.03406	6.9
81.07049	100.0
82.07369	1.4
83.04977	10.3
83.08617	9.4
85.02885	2.1
85.06530	10.4
85.75967	0.9
87.04459	1.3
91.05473	63.5
93.07035	41.1
95.04958	11.4
95.08605	20.6
97.02872	2.2
97.06524	11.0
97.10146	2.3
99.04427	2.2
99.08078	2.0
103.74980	1.0
105.07020	42.6
107.04961	6.4
107.08584	35.7
109.02821	0.9
109.06511	6.8
109.10147	44.9
110.10433	1.1
111.04431	1.8
111.08057	3.8
113.05957	1.6
115.07575	1.2
115.53093	1.0
117.07007	7.2
119.08567	11.0
121.06495	7.7
121.10101	8.1
123.04427	1.2
123.08056	4.8
123.11703	17.1
125.09596	2.8
127.03911	1.1
127.07516	2.4
128.06125	1.7
129.07007	4.9
131.08560	11.8
133.06453	2.8
133.10115	69.1
135.08057	6.3
135.11690	5.2
137.09624	1.6
137.13167	0.9
143.08568	4.6
145.10136	6.7
147.08014	4.1
147.11661	4.3
149.09619	6.0
149.13251	6.0
151.11172	29.5
155.08630	1.2
157.10112	3.6
159.08049	1.7
159.11700	6.4
161.09604	6.5
161.13220	1.1
163.07455	1.0
165.12776	1.1
169.12248	5.2
171.11688	4.0
175.11163	2.3
175.28647	1.0
177.12700	2.8
179.10599	1.2
183.11552	1.0
183.13757	3.5
185.13303	1.7
187.11150	1.0
187.13290	3.5
189.12718	0.9
195.13782	1.6
199.11285	1.1
201.14835	1.2
205.12186	1.1
215.12653	2.0
225.14803	4.5
243.15862	2.8
245.18875	2.7
251.12749	1.7
253.14323	88.4
254.14513	2.4
255.17253	1.7
257.17407	3.2
263.20071	3.2
269.17407	5.0
271.15259	1.0
273.18439	16.6
291.19513	15.9
301.20062	27.1
329.21152	1.4
347.22067	5.8
365.23157	17.2
421.25879	7.0
451.26834	1.5
453.28421	28.4
465.28305	4.6
479.29602	2.5
497.30948	5.6
515.33557	12.4
533.34692	55.9
534.34802	3.8
541.35059	5.9
547.36249	11.1
559.36243	26.8
560.36578	2.0
573.38104	1.8
591.38837	35.5
592.39075	1.5
663.90680	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.1
55.05505	21.9
57.03437	6.3
57.07069	1.5
58.67014	0.6
59.04992	2.4
61.02913	2.0
65.03927	3.2
67.05498	57.8
69.03425	10.4
69.07064	27.4
69.25966	7.7
71.04985	22.4
72.08147	0.7
73.02899	1.4
73.06488	0.6
79.05484	31.5
80.05814	1.4
81.03412	6.3
81.07047	72.0
83.04970	6.0
83.08607	11.9
85.02897	2.7
85.06532	5.2
91.05473	33.1
92.05807	0.8
93.07034	28.4
94.07371	0.7
95.04955	10.3
95.08595	17.0
95.09156	1.3
96.08948	0.7
97.02884	11.1
97.06509	6.2
97.10161	10.8
99.08095	1.0
105.07021	18.8
106.07333	1.1
107.04940	6.4
107.08577	18.9
109.02880	1.1
109.06505	4.3
109.10144	12.0
111.04424	1.2
111.08067	3.5
113.05977	1.1
115.05440	1.3
117.07009	7.7
119.08570	12.2
119.44864	0.7
121.06496	1.9
121.10129	9.5
123.04428	0.7
123.08073	4.2
123.11684	8.8
125.09621	7.4
127.03901	1.2
128.06181	1.2
129.06985	2.8
130.07944	0.7
131.08549	11.2
133.06487	2.6
133.10115	16.9
135.08054	3.8
135.11690	4.5
137.09605	2.2
141.06999	0.7
143.08557	3.8
145.06458	1.3
145.10092	4.9
147.08038	4.4
147.11668	4.9
148.12064	0.8
149.09601	2.2
149.13252	7.1
150.13522	0.6
151.11156	6.8
153.09105	1.2
153.12715	0.7
155.08542	0.9
157.10104	2.1
159.08023	1.2
159.11668	5.3
161.09616	2.9
161.13199	1.5
163.11147	1.4
165.09152	1.1
165.12834	0.9
169.10089	1.4
169.12279	1.8
171.11687	2.2
173.04573	0.6
173.09616	0.8
173.13298	1.2
175.11176	2.3
177.12668	3.9
179.14404	0.7
181.10175	0.8
181.12181	0.8
182.42683	0.7
183.11699	0.9
183.13809	2.5
185.13234	1.0
187.13329	4.0
187.14780	0.9
189.11203	3.5
189.12700	0.9
193.12212	1.2
195.12085	0.9
195.13721	3.3
199.11215	0.8
201.14867	0.9
205.12289	1.9
207.11838	0.6
207.13838	1.4
209.15396	0.7
213.14873	0.9
223.13245	17.5
225.14786	4.0
227.12671	4.1
243.15935	1.3
245.18953	1.1
249.14851	1.5
251.16356	0.8
253.14299	1.2
255.17673	0.8
257.17596	2.0
267.15927	2.2
269.17422	11.9
273.18469	11.9
275.20102	1.8
291.19504	80.7
292.20068	1.1
301.20056	25.5
309.20618	1.1
347.22131	1.5
359.54929	0.8
365.23196	21.1
427.27020	1.4
449.29611	0.7
453.28531	1.2
461.29135	1.1
465.28690	0.8
479.29904	0.9
511.32623	1.4
514.36230	1.2
515.33527	4.0
533.34692	100.0
534.35059	2.7
541.35052	3.8
547.36224	18.4
559.36243	60.8
560.36456	2.1
573.37500	1.4
577.37573	0.8
591.38867	27.4
592.39221	1.9
608.43805	1.7
626.44922	3.3
789.39172	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	788.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.0
55.05506	34.3
56.96566	2.5
57.03433	15.1
62.04008	2.5
67.05501	88.0
68.05825	2.4
69.03412	6.0
69.07063	28.2
71.04980	4.8
71.59841	2.6
71.60304	3.6
79.05487	84.3
81.03397	16.5
81.07052	79.4
83.04977	15.2
83.08616	18.1
83.47318	2.4
85.02895	6.8
85.06531	5.7
85.27387	2.9
91.05473	72.4
93.07032	87.4
93.07627	5.0
95.04956	28.4
95.08597	37.6
97.02912	5.6
97.06535	16.9
97.10160	5.5
105.07020	53.7
107.04917	14.4
107.08588	46.1
109.06528	14.3
109.10147	38.3
111.04476	3.0
111.08108	6.4
114.85725	2.4
117.06993	17.3
119.08576	36.1
121.06488	7.6
121.10117	16.2
123.08034	7.7
123.11706	4.3
125.09610	8.1
127.07660	2.6
128.06149	3.1
129.07002	16.6
131.08545	16.7
133.10132	26.2
135.08070	8.8
135.11699	11.8
137.05983	2.9
137.09605	5.6
143.08565	11.4
145.10120	16.6
147.08078	3.4
147.11679	42.8
149.09633	7.7
149.13252	7.6
151.11131	3.9
157.10065	4.0
159.11681	9.3
159.99254	3.0
161.09570	4.5
161.13237	7.9
163.11189	8.2
169.10258	5.2
171.11652	25.2
173.11763	5.1
177.12743	2.9
189.12717	6.4
191.10640	3.2
193.12221	3.6
194.31021	2.7
198.42912	3.2
207.13757	21.6
209.11832	4.5
212.05356	3.5
227.12782	7.7
229.14322	13.6
239.17989	6.0
257.18912	8.0
267.15979	5.9
269.17358	16.2
273.18417	3.6
275.19925	30.1
281.17453	70.1
291.19510	6.5
349.23666	22.7
367.24451	5.4
435.27365	56.2
451.26785	3.6
463.30661	4.0
464.30920	6.3
475.30472	100.0
476.30957	4.3
555.36865	58.5
556.37396	4.9
559.36523	4.2
573.38208	23.8
591.35120	7.6
619.34937	4.6
696.56287	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	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.0
55.05511	27.9
57.03440	11.2
57.07072	2.0
61.02921	8.1
65.03934	4.5
67.05500	74.3
69.03422	7.9
69.07059	17.6
69.36555	9.2
69.36976	7.4
71.04986	3.4
72.08131	2.2
73.02918	3.2
77.03969	1.9
79.05492	61.6
81.03415	9.0
81.07051	72.7
83.04978	7.6
83.08604	12.5
85.02889	7.8
85.06522	2.9
91.03941	3.3
91.05474	59.9
93.07039	52.7
95.04975	12.4
95.08604	51.6
97.02899	6.7
97.06534	7.4
97.10165	10.3
99.08102	2.2
103.05437	2.3
105.07023	41.4
107.04960	6.2
107.08595	30.4
109.06509	9.3
109.10162	17.5
111.04440	1.9
111.08093	1.8
115.05456	6.7
116.06245	4.9
117.07021	27.6
118.91707	2.0
119.08575	32.2
121.06496	6.0
121.10136	19.4
121.11555	1.7
123.08073	8.1
123.11653	3.2
125.09643	7.5
127.03896	2.9
128.06229	13.4
129.07004	20.3
130.07790	5.7
131.08563	45.9
133.06482	9.8
133.10139	19.4
135.08069	5.3
135.11711	10.5
137.05963	1.9
137.09625	5.1
141.07037	5.1
142.07791	4.7
143.08559	41.9
145.06534	2.5
145.10120	52.3
147.08084	9.2
147.11697	9.2
149.09660	4.8
149.13272	4.0
155.08504	9.0
157.10120	18.8
159.08043	2.8
159.11671	16.0
161.09612	10.9
161.13260	4.7
163.11176	4.3
167.08606	2.0
168.09378	2.2
169.10118	11.8
171.11674	14.7
173.09648	3.2
173.13280	4.8
175.11177	9.1
177.12827	4.9
181.10123	8.5
183.11710	6.1
185.09711	2.3
185.13261	5.9
187.11250	2.8
187.14784	2.7
189.11188	5.0
189.12813	2.1
195.11713	10.5
197.13284	3.4
199.11292	3.1
199.14737	3.0
223.13324	2.1
227.12704	1.8
227.17982	6.4
230.61411	1.8
237.16327	12.1
245.19078	7.3
255.17384	18.7
261.22128	4.9
267.36087	1.8
273.18494	59.7
275.20129	2.3
291.19577	9.3
310.18750	1.7
329.20953	4.3
335.25790	100.0
336.25873	2.1
342.35986	1.8
347.22137	27.1
435.24060	2.1
526.74658	1.7
607.43445	37.7
625.44409	15.2
766.76385	1.9
787.49469	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	787.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	29.0
55.05510	36.6
57.03432	15.4
61.02915	4.6
65.03938	3.9
67.05500	100.0
68.05827	4.7
69.03418	10.5
69.07055	41.8
71.04978	6.0
77.03910	3.3
79.05489	65.4
80.05805	4.1
81.03413	17.9
81.07052	89.2
82.07388	3.6
83.04977	10.1
83.08610	15.7
85.02906	11.2
85.06509	5.7
91.03970	3.3
91.05476	79.6
92.05834	4.1
93.07039	77.0
95.01314	3.8
95.04958	22.6
95.08596	50.0
97.02872	8.0
97.06531	43.6
97.10164	9.0
103.05447	3.8
104.75798	2.8
105.07021	83.3
107.04959	22.2
107.08595	39.1
109.02892	5.4
109.06522	12.2
109.10146	43.6
110.10452	4.4
111.04430	4.9
111.08081	3.9
115.05430	3.2
116.53888	2.8
117.07017	28.4
119.08583	48.4
121.06491	6.4
121.10152	26.8
123.08093	7.9
123.11710	7.2
125.09658	5.9
127.03886	6.6
129.06999	12.5
131.08560	39.2
133.06488	4.8
133.09216	4.8
133.10129	41.1
135.08060	7.2
135.11696	12.1
137.09628	5.0
139.11137	3.7
141.06972	6.1
143.08549	11.9
145.10124	24.5
147.08041	8.4
147.11691	24.7
149.09619	10.0
149.13271	11.6
151.11194	3.8
155.08536	4.2
157.10112	14.3
159.08098	3.7
159.11671	21.8
161.09645	6.9
161.13255	10.3
163.11177	10.3
165.09183	5.9
169.10172	8.0
171.11667	15.2
173.11862	5.5
173.13280	12.5
175.11215	3.5
175.14841	7.2
177.12770	5.1
179.14294	8.1
185.13264	8.8
189.11151	4.4
189.12669	3.9
193.12131	2.9
197.13301	6.3
199.11313	3.6
199.14879	4.1
209.13283	4.0
211.14877	4.7
213.16302	2.9
223.13150	6.0
229.14284	27.7
230.14693	9.5
241.14268	3.0
241.19519	13.6
257.19107	5.0
259.20502	18.1
261.22156	8.1
262.22498	4.4
273.18433	25.3
275.20081	48.6
289.29742	3.3
291.19601	10.5
297.17001	3.7
298.17322	4.2
315.22900	5.4
324.06247	3.0
333.24231	29.9
335.25714	35.2
336.26245	23.1
347.21802	3.2
349.23755	27.5
365.22986	3.2
419.32767	4.4
435.24036	3.1
435.32175	3.3
490.36371	11.4
533.39856	4.7
551.40588	3.4
558.38544	6.3
607.43683	53.2
625.44513	41.7
691.45020	3.5
733.45605	3.6
787.50244	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	787.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	19.9
55.05509	41.2
57.03440	14.2
57.07064	3.5
61.02916	7.7
65.03930	4.1
67.05503	84.4
69.03436	19.9
69.07074	36.6
69.36015	9.5
69.36446	10.3
71.04979	8.6
71.08617	2.9
72.08145	2.5
73.02920	3.5
79.05489	74.7
81.03416	51.1
81.07053	100.0
83.04982	15.1
83.08617	20.5
85.02921	12.2
85.06554	4.6
87.04469	3.4
91.03951	4.7
91.04899	3.4
91.05476	71.8
93.07043	61.9
95.04974	25.0
95.08043	4.1
95.08604	50.6
97.02879	17.9
97.06530	23.4
97.10156	9.0
98.20711	4.8
99.04449	6.0
99.08080	3.8
101.02360	2.2
103.05480	2.8
105.07024	66.9
107.04952	14.7
107.08595	40.9
109.02872	8.6
109.06498	10.0
109.10155	22.2
111.04426	3.0
111.08071	7.5
115.05458	5.7
117.07017	26.7
119.08576	52.2
121.06502	5.9
121.10130	26.1
123.08064	9.1
123.11673	7.2
125.09611	7.1
127.03927	11.4
128.06209	5.8
129.05466	5.4
129.07001	17.5
131.08566	46.6
133.06450	5.3
133.10126	40.3
135.08035	7.3
135.11694	16.9
137.09590	6.6
141.06993	6.3
142.07755	5.3
142.77003	1.9
143.08559	22.6
145.06532	3.3
145.10098	28.8
147.08043	7.1
147.11687	31.2
149.09592	8.2
149.13258	9.8
151.11124	6.4
154.07718	2.7
154.23642	2.0
155.08569	13.3
157.10126	18.0
159.08029	5.0
159.11674	27.1
161.09622	7.1
161.13239	17.6
161.18738	2.2
163.11160	7.7
163.14812	3.2
165.12767	5.2
167.08589	5.0
169.10114	12.8
171.11664	18.3
173.04448	19.3
173.09607	6.5
173.13231	17.6
175.11160	6.3
175.14792	7.5
177.09160	2.1
177.12881	4.7
179.08528	4.6
179.14398	3.6
181.10123	7.3
183.08104	2.3
183.11623	14.8
185.13287	12.3
187.11163	3.3
187.14835	7.4
193.10268	3.3
195.11696	7.5
195.13724	4.0
197.13289	11.4
199.14809	4.9
201.12714	2.8
201.16388	4.1
207.11716	4.3
209.13266	6.3
211.11227	3.3
211.14784	6.3
213.16426	4.1
215.17914	2.8
221.13345	3.4
223.14861	3.9
225.16423	3.6
227.12680	2.4
227.17981	3.7
231.20993	2.6
239.17987	3.2
241.19539	9.0
257.18976	6.8
259.20544	19.1
261.22119	5.1
263.20175	3.5
267.15768	5.1
269.17459	8.2
271.20627	2.6
273.18420	7.0
275.20090	25.5
291.19620	4.8
293.21091	2.9
301.21780	3.3
315.23276	3.7
333.24420	12.3
335.25726	9.4
347.21982	2.9
349.23907	14.8
351.23599	2.5
365.87045	2.1
375.25345	2.3
413.21460	3.5
435.32706	2.9
495.35272	3.4
509.27722	2.7
509.35931	5.0
513.35730	6.7
515.38684	4.2
527.37402	18.4
533.39789	5.9
543.35968	2.2
551.40643	5.7
569.39258	2.5
597.44623	3.0
607.43549	42.1
625.44507	54.1
626.44336	4.3
635.39423	4.1
653.40021	3.9
671.40656	4.6
683.66150	2.7
689.42670	14.6
733.46265	3.5
751.48145	3.6
769.48199	7.4
787.49066	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	787.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	15.8
55.05505	36.5
57.03432	13.5
57.07076	3.1
58.34785	1.6
61.02919	17.7
65.03923	5.7
67.05500	71.3
69.03423	14.7
69.06708	3.1
69.07066	33.7
71.04993	8.0
71.08639	2.4
73.02910	7.8
77.03907	1.9
79.05486	62.8
81.03408	22.5
81.06571	3.5
81.07050	68.4
83.04981	11.8
83.08619	18.6
85.02900	17.2
85.06551	4.8
91.03951	6.8
91.05474	55.9
93.07039	52.8
93.07623	3.2
95.04967	16.1
95.08598	47.8
95.84059	1.6
97.02887	20.7
97.06525	18.7
97.10166	11.8
98.21591	3.2
99.04431	2.6
99.08094	4.7
105.07024	53.3
107.04935	9.2
107.08590	35.7
108.92360	1.9
109.02873	5.0
109.06511	7.3
109.10156	28.0
111.04445	2.5
111.08042	8.6
115.05451	4.7
117.07009	23.5
119.08572	37.9
121.06525	6.0
121.10143	23.2
123.08070	3.2
123.11708	10.3
125.09622	11.2
127.03886	5.6
128.06204	6.4
129.05487	2.7
129.06995	20.3
131.08557	34.4
133.06480	3.8
133.10118	28.6
135.08069	6.0
135.11697	14.0
137.09622	6.2
139.07523	1.7
141.07001	9.5
142.07774	4.5
143.08557	27.4
145.06512	3.9
145.10112	32.5
147.08038	4.3
147.11661	21.8
149.09619	8.9
149.13255	8.4
151.11180	2.5
155.08554	14.4
156.09319	3.8
157.06520	2.4
157.10100	27.5
159.08032	3.6
159.11688	25.4
161.09636	4.0
161.13242	9.7
163.11171	5.5
163.14853	2.4
167.08574	5.6
169.10115	17.9
171.08005	2.9
171.11668	20.0
173.04449	4.2
173.09581	3.4
173.11903	2.6
173.13242	14.2
175.11220	3.6
175.14850	3.7
177.12836	2.1
179.08585	3.1
181.10127	10.4
183.11667	21.1
185.13248	17.0
187.11221	3.1
187.13283	2.3
187.14867	6.6
189.11223	6.3
189.12810	2.3
189.16309	2.8
191.08614	1.7
193.10173	7.0
195.11719	8.3
195.13589	1.9
197.13240	13.9
199.14917	8.4
201.16512	3.1
203.17766	1.9
207.11696	5.8
209.13274	7.5
211.14819	9.7
213.12819	1.9
213.16386	3.8
215.17979	2.2
221.13222	3.7
223.14833	6.3
225.16373	3.3
227.12723	9.7
227.17976	3.7
227.20091	3.0
228.20457	1.8
229.14336	3.2
229.19417	2.2
234.13963	2.6
235.14886	3.7
237.16382	2.6
239.18027	5.6
241.19522	4.9
245.18987	3.2
251.17798	3.6
257.19104	6.9
259.20566	9.4
261.22092	3.9
267.15836	2.2
273.18475	7.2
275.20117	13.8
283.20438	2.2
291.19565	5.7
295.20422	3.4
301.21603	2.5
313.21579	3.0
315.23126	3.1
321.22168	2.2
333.24435	8.0
335.26123	9.2
339.23230	2.6
347.22391	3.2
349.23840	6.8
353.24527	2.3
363.27078	2.3
365.23459	3.0
365.28448	3.4
379.29788	2.8
381.31650	2.9
405.25485	1.7
405.30945	1.9
421.31049	4.0
439.31995	2.5
445.30301	2.1
495.34647	2.3
513.35754	34.6
514.35840	2.4
515.38184	6.9
516.38910	1.8
525.35547	2.3
527.37292	7.0
533.39722	5.8
551.40704	5.7
555.37378	2.0
575.87726	1.9
583.87006	1.9
589.42059	1.8
597.44196	1.9
607.43524	48.9
608.43951	3.4
615.81128	1.7
625.44562	100.0
626.44965	6.8
689.42590	2.7
715.44806	1.8
733.46063	1.7
751.47321	3.5
769.48456	5.3
770.48163	1.8
787.49963	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	15.7
55.05508	46.6
57.03431	16.0
57.07070	5.5
59.04991	2.6
61.02919	12.9
65.03929	3.7
67.05500	85.4
68.05837	2.8
69.03426	20.6
69.07066	41.2
71.04981	14.0
71.42499	3.4
73.02894	7.5
79.05048	4.9
79.05488	61.7
80.05819	4.2
81.03413	49.7
81.07057	91.3
83.04964	11.7
83.08614	25.7
85.02900	17.7
85.06523	4.5
91.03932	9.1
91.05479	65.2
93.07040	71.5
94.07321	3.3
95.04971	23.5
95.08595	52.6
97.02881	19.9
97.06524	22.3
97.10175	16.7
99.04453	7.6
99.08073	4.1
103.05460	4.2
105.07023	68.4
106.07357	3.6
107.04950	11.5
107.08585	42.3
107.77087	2.6
109.02879	11.4
109.06517	13.0
109.10149	30.3
111.08068	7.0
112.35129	2.6
115.05422	5.1
116.84486	2.4
117.07021	27.2
117.59933	2.6
119.07771	5.2
119.08572	46.5
121.06463	5.9
121.10137	27.8
123.04383	2.9
123.08041	5.5
123.11715	9.1
125.09615	11.8
127.03911	9.8
128.06221	9.5
129.07007	26.2
130.07745	4.4
131.08566	42.3
131.15370	2.3
133.06491	9.6
133.10126	40.3
135.07982	6.2
135.11710	14.9
137.09612	8.2
141.06995	9.1
142.07758	4.5
143.08536	22.7
145.06519	5.1
145.10121	36.1
146.10472	2.9
147.08032	5.4
147.11697	26.6
148.12131	2.5
149.09625	10.4
149.13254	7.6
151.11171	5.5
153.07048	3.5
155.08553	14.9
157.10114	28.0
159.08113	3.4
159.11710	24.7
161.09641	4.7
161.13251	15.8
163.11191	9.5
165.12743	5.1
167.08575	6.9
168.09271	4.2
169.10152	20.7
170.10873	2.6
171.08046	3.4
171.11678	22.3
173.04466	15.4
173.09669	4.7
173.11961	3.4
173.13193	16.8
175.11156	5.0
175.14767	5.1
177.12721	4.8
179.08603	4.1
179.14397	3.8
181.10075	11.4
182.10757	2.8
183.11679	17.0
185.13278	16.5
187.14832	7.4
189.12761	3.4
193.10138	3.4
195.11736	14.0
197.13245	15.8
199.14801	10.7
201.12753	5.0
201.16403	4.3
207.11687	6.1
209.13277	8.9
211.11284	2.7
211.14778	7.5
213.16458	4.4
221.13272	6.0
223.14818	6.7
225.16441	6.0
227.12659	6.1
229.14322	4.8
229.19600	3.8
233.13269	4.0
235.14850	3.7
237.16359	5.0
239.18011	4.1
241.19522	8.3
251.17847	3.7
257.19046	7.3
258.19366	3.2
259.20572	12.9
261.22064	3.0
267.15826	3.4
273.18579	3.5
275.20062	29.0
276.20361	5.4
277.21667	4.2
283.20490	3.0
291.19568	6.3
299.20093	2.9
299.23816	2.6
307.20267	2.6
313.21475	3.3
325.21799	2.7
333.24176	11.6
335.25922	4.8
349.23630	11.3
351.23544	2.7
363.26514	3.3
365.28534	4.5
421.30600	3.8
439.32358	3.3
471.32318	2.9
501.35599	3.5
513.35620	27.7
515.38013	7.8
517.69714	2.9
527.37384	10.1
533.39838	8.5
551.40015	3.5
589.42279	4.0
607.43488	51.0
625.44592	100.0
626.44543	4.5
643.44464	3.2
689.42059	10.6
715.44415	3.5
733.46204	3.6
769.47791	9.9
787.49805	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	786.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	11.1
55.05511	32.1
56.19285	1.6
57.03436	10.9
59.04997	2.4
61.02917	2.8
65.03938	3.6
67.05502	70.9
69.03439	9.5
69.07063	23.9
69.30333	11.0
69.30758	5.6
71.04995	8.2
72.08148	8.1
72.23837	1.6
73.02922	2.8
73.06524	2.0
75.97532	1.6
79.05489	98.9
81.03417	19.7
81.07054	100.0
83.04979	22.8
83.08611	19.8
85.02911	10.6
85.06544	5.1
91.05478	66.8
92.05817	1.8
93.07041	75.6
95.04966	35.0
95.08599	39.8
97.02898	6.1
97.06532	13.1
97.10167	18.5
98.20708	3.6
99.04462	3.1
99.08075	4.0
101.02370	2.1
105.04525	2.5
105.07028	52.1
106.45055	1.5
107.04947	18.8
107.08592	33.4
109.02880	2.8
109.06506	15.5
109.10146	15.4
111.04436	10.3
111.08090	6.7
115.05426	3.0
116.10014	1.6
117.07004	19.7
119.04939	2.2
119.08575	41.8
121.06512	11.4
121.10135	15.1
123.04421	1.7
123.08049	21.8
123.11716	2.5
125.09628	14.2
127.03902	2.0
128.06212	5.5
129.07011	21.6
130.07738	2.1
131.08556	19.9
133.06491	7.7
133.10118	21.4
135.08073	9.1
135.11647	8.3
137.09608	7.1
142.07768	2.6
143.08536	17.1
145.06451	1.8
145.10103	27.3
147.08026	11.8
147.11681	34.2
147.12785	3.0
149.09634	8.9
149.13281	3.3
151.11221	2.4
153.09126	1.8
153.12761	3.8
155.08539	3.5
157.10147	6.4
159.08032	4.0
159.11714	5.9
161.09599	11.9
161.13252	9.2
163.11186	16.7
165.09132	4.4
165.12732	1.9
169.10126	2.7
171.11688	27.6
173.09671	2.8
175.11168	4.9
177.12750	2.8
181.10162	2.5
181.12213	5.8
185.13197	1.8
187.11140	2.0
189.11209	8.3
189.12775	11.1
191.10651	2.9
193.12297	4.3
195.11597	2.8
199.11137	2.3
205.12340	1.9
207.13811	24.9
209.11766	1.8
223.13303	3.7
225.14900	3.5
227.12790	17.9
227.17902	1.8
245.19066	4.1
255.17509	6.2
267.08823	3.2
269.17679	1.9
273.18460	40.3
275.20074	4.4
276.20456	1.7
279.15796	2.7
281.17447	96.4
283.15421	7.1
285.10120	7.0
291.19522	49.9
309.20563	3.8
329.21185	2.0
347.22025	14.8
365.23148	26.0
367.17853	2.6
383.24374	6.3
390.19455	1.9
398.19202	2.3
399.70425	2.5
450.63239	1.8
451.26880	4.8
475.31046	2.4
479.32037	2.0
489.28366	2.3
553.35242	22.3
571.36279	79.9
589.37543	25.5
768.48132	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	786.4617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67942	1.2
55.01864	17.0
55.05504	30.3
57.03433	11.7
59.04980	1.6
61.02909	3.5
61.50919	1.3
65.03921	5.8
67.05499	100.0
69.03415	7.3
69.07063	42.3
70.15895	6.2
71.04981	5.1
72.08144	3.6
73.06565	1.3
79.05484	95.2
81.03414	19.5
81.07049	70.6
83.04968	16.8
83.08606	15.2
85.02905	3.5
85.06519	5.3
91.03954	1.6
91.04885	3.5
91.05468	87.7
93.07034	88.5
95.04958	30.1
95.08595	52.7
95.09046	0.9
95.09222	1.4
97.02882	5.4
97.06530	27.1
97.10148	7.2
97.93163	1.3
99.04408	1.6
99.08067	3.1
103.05493	1.6
105.04520	1.3
105.07020	61.1
107.04939	19.1
107.07851	2.5
107.08580	35.8
109.02896	1.7
109.06510	9.8
109.10146	28.1
111.08062	4.5
113.09603	2.5
115.05420	3.4
117.07006	19.0
119.08577	41.7
120.08852	1.4
121.06509	6.9
121.10137	14.2
123.08055	10.4
123.11641	2.2
125.05994	1.5
125.09618	4.7
127.03943	2.0
128.06195	3.9
129.05478	2.5
129.06998	21.6
130.07803	2.9
131.08560	17.9
133.06502	3.9
133.10112	22.2
135.08046	3.5
135.11673	9.6
137.09601	16.6
139.07526	1.5
141.06949	3.9
141.09175	1.7
142.07732	1.6
143.08522	12.2
145.06488	2.6
145.10101	22.0
147.08026	4.2
147.11665	41.0
147.12784	2.8
149.09599	22.0
149.13229	2.0
151.11206	2.7
155.08611	1.6
157.10155	4.2
159.11661	10.8
161.09648	6.6
161.13242	18.2
163.11226	10.2
165.07040	1.8
169.10115	6.4
171.10219	2.3
171.11655	29.6
173.11711	8.9
173.13158	3.3
175.11172	4.6
177.12666	5.2
179.14307	6.0
183.11667	2.8
187.14677	1.8
189.11208	2.1
189.12709	14.0
193.12210	1.5
195.13817	1.8
197.13260	2.0
207.13783	31.5
211.13182	2.3
223.13310	1.7
225.14787	2.3
227.12666	4.0
229.14233	8.6
229.19463	1.8
239.17906	3.0
247.20595	1.9
257.19009	8.7
273.18503	3.8
275.20023	35.9
281.17432	54.8
291.19525	9.7
293.21149	4.3
331.22626	2.1
349.23685	29.5
365.23114	3.1
377.23135	6.8
435.27405	41.4
459.30954	5.2
475.30527	3.3
491.41666	1.5
537.35767	3.8
555.36755	60.5
557.34802	3.6
571.36206	2.1
573.37445	4.2
589.36908	2.8
605.01758	1.6
624.43866	3.7
787.36829	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	785.4825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.3
55.05503	22.5
57.03428	7.3
57.07070	3.9
57.29477	1.8
58.06588	3.2
64.35603	1.8
65.03930	3.8
67.05498	56.9
69.03432	4.9
69.07052	17.9
71.01337	11.8
71.05006	3.2
71.08623	2.3
71.59369	2.3
71.59754	2.4
73.02908	13.4
74.52879	1.8
79.05491	32.0
81.03426	5.3
81.07051	45.4
83.04974	3.9
83.08611	13.9
85.02891	22.3
85.06550	3.7
91.05473	26.3
93.07032	30.4
95.01347	6.9
95.04956	18.8
95.08595	39.2
97.02878	5.3
97.06544	6.1
97.10180	6.1
99.00803	2.0
99.08082	2.5
101.02385	4.9
105.07032	25.8
107.04967	3.1
107.08594	22.3
109.06533	2.8
109.10171	16.2
111.08073	3.3
113.02377	8.4
115.05490	2.5
117.07002	15.1
119.08587	26.3
121.06510	3.4
121.10123	11.6
123.08057	3.1
123.11684	4.4
127.03914	2.3
128.06221	5.8
129.06998	11.3
131.03435	6.9
131.08569	21.1
133.10129	18.4
135.11671	10.8
137.09644	2.5
137.13281	3.1
138.40948	1.8
141.01794	10.0
141.07004	6.0
142.07803	2.9
143.08537	19.1
145.10115	23.0
147.08092	2.4
147.11690	9.4
149.13286	5.3
153.06975	3.4
154.07814	2.6
155.08568	13.7
156.09312	2.1
157.10136	16.8
159.11670	15.9
161.13287	5.9
163.14845	3.5
167.08609	7.0
169.10133	17.3
171.11661	15.8
173.13295	9.0
175.14833	3.3
179.08528	3.3
181.10085	10.8
183.11650	20.7
185.13252	14.3
187.14854	5.7
189.16367	3.3
193.10162	3.0
195.11612	11.5
197.13324	13.8
199.14920	6.7
207.11732	4.5
209.13242	11.3
211.14883	8.0
213.16399	6.3
221.13347	4.6
223.14925	5.9
225.16444	5.5
227.17996	3.0
231.17213	2.7
235.14841	4.4
237.16394	4.4
239.18045	3.7
246.85619	2.1
249.16502	3.4
273.18549	5.9
275.20172	2.9
313.21463	2.3
323.23651	3.0
333.24820	2.8
347.23752	2.0
351.27371	2.7
356.24179	2.2
365.28622	2.3
447.32916	2.6
517.33893	2.2
517.40375	11.8
531.35925	2.2
535.41504	7.3
539.37885	4.3
591.43854	18.2
605.42377	4.9
607.44153	3.9
609.45129	100.0
610.45428	4.8
644.45947	4.9
767.47717	3.1
785.48328	75.1
786.48724	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	785.483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	13.5
55.05508	41.1
57.03428	16.0
57.07069	10.8
61.02914	8.0
65.03936	5.6
65.99476	4.0
67.05175	5.0
67.05506	99.3
69.03429	37.6
69.07074	30.7
71.04984	13.5
73.02915	7.7
79.05492	76.4
81.03421	59.9
81.07058	100.0
83.04968	16.9
83.08614	16.4
85.02902	29.9
85.06540	4.9
91.03951	5.3
91.05486	76.9
93.07043	69.6
95.04963	20.0
95.08607	72.0
97.02892	18.4
97.06550	12.0
97.10198	6.0
98.20698	8.8
103.05517	5.2
105.07024	75.6
107.04949	16.5
107.08591	39.9
109.02873	11.6
109.06504	14.7
109.10163	38.5
111.08049	7.6
117.07018	32.2
119.08585	48.9
121.06462	9.5
121.10178	24.2
123.08068	13.7
123.11678	10.5
127.03921	11.2
128.06239	8.4
129.07001	26.5
131.08565	40.4
133.06473	11.7
133.10114	47.0
135.08084	11.8
135.11676	16.0
137.09581	7.4
141.06995	6.6
142.07779	8.3
143.08562	28.1
145.06429	7.6
145.10123	41.2
147.08015	12.3
147.11694	15.3
149.09653	11.6
149.13295	8.6
151.11179	15.2
155.08540	15.2
157.10149	26.6
159.08072	7.0
159.11702	26.4
161.09650	6.3
161.13309	7.2
163.11186	4.5
167.08574	8.7
169.10132	21.9
170.70428	4.2
171.11674	17.4
173.04436	39.9
173.09660	8.0
173.13275	14.0
175.11188	5.9
177.86960	4.3
179.08516	9.4
181.10213	9.6
183.11708	22.9
185.13293	12.5
187.11179	6.8
187.14883	6.3
189.12802	5.2
193.10048	4.8
193.12360	4.1
195.11711	10.5
197.09570	4.5
197.13194	12.7
199.11227	6.7
199.14752	7.2
201.12746	7.7
207.11714	7.7
209.13272	11.5
211.14926	5.9
221.13173	6.0
223.14799	8.1
229.19510	5.7
235.14795	6.7
241.19179	6.3
253.14363	12.9
259.20636	8.2
271.15079	5.3
273.18475	8.7
291.19464	8.2
311.19965	4.2
313.27341	6.9
365.23135	8.5
377.28616	5.0
483.35126	5.6
487.34033	14.8
499.33850	5.7
501.35806	8.2
524.40063	7.2
525.40845	5.8
529.34467	5.1
531.38312	11.4
549.39557	8.4
605.41937	36.3
623.42987	63.1
767.47107	6.6
785.48730	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
55.05505	14.3
56.72350	1.1
56.96549	1.5
57.03439	7.4
57.07060	1.9
61.02924	28.6
64.05248	1.0
64.20023	1.2
65.03945	2.7
67.05497	31.2
69.03424	9.5
69.07063	10.3
70.72220	1.1
71.04990	4.8
73.02911	9.2
79.05487	25.8
80.38631	1.4
81.03413	10.5
81.07059	28.0
83.04978	3.8
83.08586	7.9
85.02898	30.0
85.06560	1.6
91.03954	16.4
91.05477	33.4
93.07041	27.1
95.04976	7.9
95.08604	17.6
97.02893	18.4
97.06533	4.0
97.10172	4.6
98.21441	2.7
99.04485	2.9
103.05466	2.5
105.07033	25.3
107.04944	6.5
107.08576	11.0
109.02903	2.5
109.06500	5.1
109.10158	8.0
111.04454	1.3
111.08083	2.6
114.96693	1.1
115.03921	2.3
115.05487	2.8
117.07014	17.6
119.04949	2.1
119.08584	14.2
121.06519	5.9
121.10137	8.7
123.04422	2.0
123.08090	4.3
123.11694	2.1
125.09618	1.5
127.03882	5.3
128.06215	4.6
129.05557	1.5
129.07001	25.6
131.04921	2.9
131.08556	30.7
131.09508	1.9
133.06487	3.9
133.10121	11.2
135.08069	4.5
135.11691	4.5
137.06065	1.5
137.09596	2.5
141.06960	10.7
142.07785	2.6
143.08546	19.0
145.04950	4.7
145.06474	6.2
145.10121	15.1
147.04422	1.9
147.08086	3.6
147.11719	4.6
149.09657	5.4
149.13261	2.9
153.06992	3.6
155.08563	15.1
156.09264	1.1
157.06427	2.4
157.10109	12.8
159.08032	5.0
159.11665	10.6
161.09592	3.2
163.06093	2.7
163.11176	3.2
165.07008	2.9
166.07722	1.2
167.08565	10.2
169.10081	10.9
171.08102	3.3
171.11710	7.7
173.09650	4.5
173.13187	1.6
175.11209	3.4
175.14865	1.4
177.12735	2.6
179.08595	4.4
181.10136	10.9
182.10793	1.1
183.10275	1.4
183.11629	7.0
185.09665	2.1
185.13275	4.5
187.11185	2.8
193.10127	4.8
193.12311	1.8
195.11708	7.8
197.09669	1.7
197.13258	5.1
199.11256	1.7
199.14795	3.0
203.14378	2.4
207.11711	4.8
207.13661	1.4
209.09616	1.1
209.13300	5.0
211.11147	1.6
211.14874	3.2
213.12753	3.1
213.16429	1.9
215.14386	2.8
219.01797	1.4
219.11668	1.7
221.13237	6.3
223.11406	1.1
223.14810	5.0
225.12837	2.6
225.16379	2.3
227.14420	1.7
229.28203	1.5
235.14835	3.5
237.16264	1.2
239.14368	5.0
241.16125	1.5
249.16370	2.0
253.15857	3.0
257.15417	2.6
267.09097	2.6
269.15298	1.4
271.16983	2.8
275.16226	1.6
285.10019	2.1
305.22726	2.2
315.20850	1.5
323.23737	5.1
333.22076	10.7
341.24631	5.6
351.23138	30.9
369.24200	24.0
387.25235	10.2
425.26703	7.1
433.29346	1.6
443.27911	100.0
444.28278	1.5
459.25629	1.3
461.28983	65.4
479.29361	1.7
485.29147	2.3
503.29626	2.7
551.30524	1.7
569.30902	1.8
587.31836	2.0
605.33234	3.9
623.34131	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	785.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	4.6
55.05500	14.2
56.96556	1.8
57.03417	5.7
61.02641	1.9
61.02927	25.1
61.17212	1.4
67.05499	23.4
69.03421	10.2
69.07056	11.7
71.04981	4.7
71.59620	1.6
73.02900	6.7
73.06525	1.5
78.68631	1.5
79.05486	22.4
81.03413	10.4
81.07049	27.3
83.04979	5.1
83.08610	6.2
85.02897	23.5
85.06538	2.6
91.03943	13.7
91.05474	26.1
93.07027	17.7
95.04950	7.8
95.08598	16.3
97.02882	19.9
97.06515	4.7
97.10194	2.5
99.04440	3.3
99.08105	3.0
100.76637	1.6
105.07030	25.5
106.07354	2.2
107.04933	5.2
107.08588	12.9
109.02871	4.0
109.06486	3.9
109.10149	8.3
111.08079	2.6
115.05486	1.5
117.07005	18.8
119.04953	2.4
119.08580	11.8
121.06515	4.5
121.10174	8.9
123.08090	2.6
125.09618	2.3
127.03908	6.6
128.06215	5.5
129.06996	22.4
131.08557	22.1
133.06491	3.9
133.10147	10.0
135.08040	4.5
135.11705	2.8
141.06947	10.0
142.07790	2.2
143.08533	16.9
145.04968	4.4
145.06476	5.9
145.10100	11.3
147.04425	3.0
147.08046	4.8
147.11658	5.9
149.09598	4.8
151.11238	1.9
153.06998	2.5
155.08545	15.3
157.10115	11.3
159.08087	4.0
159.11732	7.3
161.09596	3.2
163.05977	2.3
163.07486	1.6
165.07047	3.0
165.12772	1.8
167.08568	5.3
168.09248	1.6
169.10072	9.5
171.08009	2.5
171.11678	8.4
173.04480	1.8
173.09621	2.7
173.13304	2.5
175.11229	3.1
177.12762	3.5
179.08533	3.0
181.10126	6.9
183.11667	5.5
185.13274	6.3
187.11241	2.7
193.10141	2.2
193.12213	3.0
195.11687	9.1
195.13603	3.3
197.13268	5.6
199.14796	3.3
201.16411	1.8
207.11679	3.5
209.13190	5.0
211.13094	2.4
211.14891	3.2
213.12660	2.0
213.16479	1.8
215.14407	2.1
217.12292	1.6
219.11665	2.2
221.13274	5.1
223.14804	2.9
225.12668	2.9
225.16289	2.4
229.26529	1.5
235.14842	3.8
239.14340	2.8
247.14871	1.7
247.26962	1.5
253.15895	1.8
257.15607	2.2
271.17068	2.0
285.10077	3.1
323.23615	3.6
333.22049	8.4
341.24789	3.5
351.23151	27.9
369.24188	22.6
387.25162	10.2
425.26703	5.3
433.29050	1.5
443.27917	100.0
444.28445	2.5
461.28940	59.8
462.28467	1.6
472.43063	1.7
474.95419	1.8
479.29889	2.0
485.28418	2.0
503.29947	2.2
513.29547	1.7
569.30194	2.8
587.31311	2.5
605.32867	2.3
623.34058	3.8
748.39240	1.6
785.40302	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	783.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.8
55.05259	0.9
55.05510	14.7
56.96555	1.1
57.03432	8.1
57.07081	0.7
59.05005	0.8
61.02924	1.9
65.03934	1.9
65.08368	0.6
67.05502	23.2
67.40912	0.6
69.03424	26.8
69.07059	6.0
70.27870	2.9
71.01356	2.2
71.04985	6.7
73.02908	1.9
74.90546	0.6
79.05488	20.5
81.03413	100.0
81.07056	25.7
81.07429	0.4
83.01312	1.1
83.04977	18.4
83.08616	14.4
85.02902	19.4
85.06538	1.5
91.05474	28.6
93.07040	15.7
95.01344	0.7
95.04966	23.1
95.08603	7.8
97.02886	27.7
97.03513	1.5
97.06523	5.2
97.10154	5.1
99.04464	8.0
99.08078	0.8
101.02361	1.3
103.03920	1.0
103.05482	0.9
105.07026	19.2
107.04958	9.4
107.08592	8.0
109.02875	22.0
109.03571	1.3
109.06525	3.9
109.10147	3.2
111.04438	11.8
111.08079	8.9
113.05976	1.7
115.05459	2.7
117.07005	4.0
119.04952	2.4
119.08577	13.7
119.09427	0.6
121.06493	5.1
121.10136	8.0
123.04417	4.5
123.08093	2.2
123.11716	2.5
125.05965	1.0
125.09640	3.2
127.03914	16.9
127.04792	1.1
128.06213	1.3
129.05469	2.3
129.06984	9.8
131.04930	2.2
131.08572	10.0
133.06494	3.3
133.10139	8.2
135.04475	0.8
135.08046	1.4
135.11676	3.2
137.05968	1.4
137.09612	1.6
139.03940	0.8
141.07027	0.7
142.07813	1.9
143.08548	2.1
145.04944	1.2
145.06523	1.7
145.10133	4.2
147.04419	2.6
147.08067	4.3
147.11684	16.3
149.05989	2.6
149.09581	6.0
151.03951	1.6
153.05554	0.9
153.09076	0.8
153.12776	2.9
155.08534	1.5
157.06548	1.2
157.10132	10.3
159.08109	1.7
161.05991	1.0
161.09633	0.9
163.03835	0.9
163.11165	4.7
165.05481	1.8
165.12756	5.5
167.07051	0.8
169.10083	0.7
171.07945	1.0
171.11673	1.3
173.04456	13.8
173.05777	0.6
173.09570	0.8
175.11169	11.3
175.12694	0.8
177.12766	1.0
181.10269	0.7
181.12166	3.5
183.06592	1.4
183.11859	0.7
185.13263	1.0
187.07497	1.0
189.11224	1.4
189.12756	0.7
191.10696	3.4
193.12234	33.1
195.11844	0.8
195.13757	1.4
199.07443	0.8
199.11194	1.0
201.07536	0.7
207.13820	0.8
209.11710	0.9
211.13281	55.2
213.12848	0.9
213.14920	1.1
217.12384	0.8
223.13414	1.0
227.12723	7.0
229.14290	4.9
235.13309	1.3
237.12781	0.7
247.13335	1.0
249.14859	3.3
253.07133	2.0
253.14484	0.8
255.13898	1.0
259.13303	1.2
265.14297	0.9
267.09143	1.8
267.15903	13.0
267.18549	1.1
269.12415	2.1
271.08160	1.5
273.14786	3.0
277.14502	1.2
283.15536	2.1
285.10156	5.0
285.16940	9.6
291.16217	1.2
301.14182	4.0
313.14273	0.8
319.15619	3.3
324.11499	2.2
337.16476	5.1
347.18985	1.1
351.18317	0.9
355.17444	7.1
357.16693	0.9
375.18130	2.6
385.24170	1.6
393.18927	3.4
411.20221	8.9
429.21298	4.3
431.28259	0.8
438.18497	3.7
438.68353	1.6
453.21347	0.9
459.27371	4.5
477.28479	4.6
481.20612	1.4
495.29630	5.6
499.21747	2.2
519.29309	0.9
537.23694	1.4
555.23712	0.9
557.30798	0.8
585.30768	2.9
603.31201	3.2
621.32635	8.9
639.33606	6.4
655.33618	0.8
672.93219	0.9
747.35443	2.0
748.48895	0.7
765.37030	3.9
783.37921	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	780.5169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05509	5.9
56.05035	1.2
57.03437	1.1
57.05812	0.6
57.07067	2.3
66.02020	0.5
67.05502	17.6
69.07069	5.1
69.37769	1.0
69.38174	4.0
70.06606	3.8
70.20676	0.5
71.08268	1.0
71.08632	9.3
72.08154	100.0
73.08484	0.6
75.78715	0.5
79.05495	18.2
79.05961	1.0
79.29238	0.5
79.30689	0.5
81.03426	2.8
81.07056	16.8
83.04985	1.9
83.08616	4.2
85.06557	1.2
90.00496	0.5
90.09174	1.0
90.42720	0.5
91.05476	13.2
91.05994	1.1
93.07040	24.0
95.04958	4.2
95.08607	13.5
97.06538	2.4
97.10196	1.9
98.21534	1.2
99.08090	5.9
105.07024	7.8
107.04980	2.4
107.08588	11.6
109.06527	0.8
109.10167	4.0
113.09645	1.4
117.07037	3.6
119.08577	6.7
121.10146	6.3
123.08073	0.5
125.09606	0.7
131.08566	3.2
133.10146	4.8
135.11693	9.3
137.09622	1.2
139.11160	0.7
141.09097	0.6
143.08592	0.9
145.10161	1.9
147.11710	2.0
149.13255	4.2
151.11188	3.4
157.10228	0.5
159.11719	1.3
161.13257	4.2
163.11235	2.1
163.14806	1.0
170.05780	13.5
170.07243	0.7
171.11876	0.5
173.13348	0.6
175.14848	0.8
177.12837	0.9
179.14313	24.0
181.12230	0.9
185.13237	0.9
185.50591	0.5
189.12767	1.0
199.14926	0.9
207.14030	0.6
227.12723	1.1
229.14430	1.2
235.17137	1.0
243.21188	1.1
259.20581	1.3
261.22226	1.1
277.21619	16.6
295.22711	2.1
317.24783	3.8
339.29135	1.2
351.25232	1.3
359.70404	0.7
401.12564	0.5
521.38458	1.9
611.46698	77.5
612.47076	3.3
716.67828	0.7
780.52283	0.9
781.46436	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.4
55.05512	10.3
55.24808	1.1
57.03444	2.2
57.07062	3.1
58.06604	2.5
61.02915	2.7
65.03946	2.6
67.05501	31.4
69.07059	8.3
70.06576	2.2
71.04614	1.5
71.04968	3.0
72.08151	91.6
77.03970	1.2
79.05490	34.8
80.05852	1.3
81.03395	1.3
81.07061	25.6
81.07518	1.9
83.04991	2.5
83.08626	4.1
85.02908	4.2
85.06551	2.1
91.05480	36.7
93.07040	40.2
95.04982	9.1
95.08607	16.6
97.02897	1.3
97.06549	2.5
97.10192	3.5
105.04562	1.5
105.07028	30.3
107.08584	15.0
109.10178	5.3
110.60958	1.5
115.05459	1.4
117.07024	12.5
119.08571	18.3
121.10133	8.6
129.07022	3.2
131.08562	14.5
133.10127	14.8
135.11702	4.3
143.08607	2.0
145.10139	9.6
147.11719	6.1
149.09583	1.7
149.13280	3.2
157.10205	3.2
159.11708	6.3
161.13301	4.7
170.05766	38.6
171.11646	2.2
171.98872	1.9
173.13293	5.0
175.14900	2.0
185.13316	1.6
186.92046	1.3
199.14835	1.5
199.41806	1.4
246.89290	1.3
259.20581	2.0
261.22202	2.5
283.15201	2.9
315.23221	8.9
317.24707	8.1
391.68698	1.6
501.23120	3.0
502.23413	2.7
593.45612	100.0
594.46118	2.5
611.46362	8.5
625.44354	1.8
665.06848	1.5
751.99719	1.7
765.51910	1.5
780.45892	52.2
781.46204	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
55.01864	0.6
55.05498	1.1
55.10254	0.2
57.03429	1.7
61.02922	4.9
62.54415	0.2
63.39454	0.2
65.03918	0.4
67.05502	4.2
68.79611	0.3
69.03422	3.1
69.07054	1.6
70.02780	0.6
70.03204	0.8
71.01360	0.4
71.04984	2.3
73.02921	3.1
79.05492	3.7
81.03419	1.4
81.07051	5.4
83.04982	0.3
83.08640	0.5
85.02904	4.7
85.06564	0.6
91.03944	2.6
91.04903	0.3
91.05471	4.6
93.07040	4.3
95.04981	1.0
95.08607	2.0
97.02875	3.3
97.06541	1.0
98.21436	0.3
99.04434	0.5
101.02377	1.8
103.03955	0.3
105.07020	2.4
107.08578	2.6
109.02869	0.7
109.06524	0.5
109.10159	0.9
115.03938	0.4
117.07027	0.9
119.08573	1.8
121.10146	1.2
123.11705	1.0
127.03918	1.2
129.05533	0.4
129.06992	0.5
131.08585	1.1
133.10114	2.7
135.11671	1.2
143.08586	0.4
145.10123	0.5
147.04489	0.3
147.11702	0.9
149.13269	0.5
151.11208	1.0
159.11720	0.8
161.13226	0.4
171.11670	0.5
183.13852	0.4
185.04199	0.8
187.13281	0.5
203.05392	0.4
243.08391	3.2
243.10370	0.3
257.17636	0.4
259.20679	0.4
267.15729	1.7
301.08890	1.4
315.10513	0.5
317.21048	0.4
323.18365	0.3
332.07037	0.3
365.19458	0.3
373.11182	0.5
425.21478	0.3
441.21143	0.3
453.21060	0.5
465.21063	0.6
485.23532	9.3
501.23093	0.4
513.22919	0.3
535.28845	5.7
557.25745	1.1
571.27869	0.5
709.37714	0.5
712.41650	0.3
773.57104	0.3
779.45447	100.0
780.45581	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	779.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
63.26533	1.3
67.05508	2.4
68.92320	1.1
71.60354	1.6
72.08134	2.4
78.00591	1.0
81.07050	1.3
81.76646	1.0
91.05473	1.4
95.08572	1.8
150.47224	1.0
311.08807	1.4
321.88788	1.2
357.25430	1.2
535.27454	1.2
610.45709	1.7
779.43335	100.0
780.43524	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	779.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.5
55.05511	1.3
57.03445	1.9
59.04992	0.7
61.02923	5.6
61.03213	0.5
65.03922	0.3
67.05502	4.2
69.03423	3.1
69.07062	1.1
70.72679	0.5
70.73005	0.4
71.01359	0.4
71.04988	0.8
73.02912	3.6
79.05482	3.1
81.03403	2.6
81.07055	3.9
83.04993	0.4
83.08605	0.7
85.02895	4.9
87.65186	0.3
90.19135	0.2
91.03947	3.0
91.05482	2.2
93.07043	4.0
95.04975	1.0
95.08604	3.3
97.02890	5.0
97.06501	0.6
99.04474	1.1
101.02385	1.6
103.03901	0.5
105.07019	1.9
107.04919	0.3
107.08570	1.6
109.02864	0.6
109.06505	0.4
109.10155	0.7
111.08109	0.3
117.06977	0.5
119.08585	0.9
121.10143	1.8
123.11695	0.3
127.03906	1.7
131.08591	1.1
133.10156	1.0
135.11728	0.6
145.10146	0.5
147.11719	1.0
149.09621	0.9
157.10123	0.7
163.26022	0.3
166.63612	0.3
175.11226	0.4
185.04198	0.5
193.12244	0.5
197.15334	0.4
203.05325	0.5
243.08354	2.3
283.15176	4.4
296.17380	0.3
335.25806	0.6
339.17819	0.5
469.20477	0.5
499.94354	0.3
501.22977	5.9
519.29291	8.2
520.29871	0.5
562.27527	0.3
779.45435	100.0
780.45844	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	779.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
55.05503	2.0
56.96563	2.6
57.03434	1.8
61.02925	4.6
64.15481	1.1
67.05501	9.4
69.03429	3.8
69.07065	2.4
70.51043	1.0
71.04993	1.9
71.60303	1.4
73.02924	2.7
76.72955	1.0
79.05494	5.9
80.66017	1.2
81.03418	3.0
81.07053	8.8
83.05014	1.4
83.08611	2.0
85.02896	5.4
88.47271	1.1
89.09179	1.1
91.03944	3.3
91.05497	4.8
93.07053	6.1
95.04964	2.3
95.08615	2.7
97.02886	3.8
97.06553	1.4
98.14651	1.1
101.02402	1.9
105.07048	3.7
107.08594	4.5
109.10159	3.6
109.81972	0.9
116.98609	1.2
117.07047	2.1
119.08617	2.9
121.10176	1.9
127.03944	1.6
131.08582	1.9
133.10114	1.9
145.10120	1.1
147.11662	1.3
149.01202	2.3
159.11699	1.6
185.04259	3.8
201.03842	1.1
235.13091	2.0
241.11208	1.3
243.08522	4.0
259.12259	2.6
285.10083	3.4
293.05618	1.8
301.08939	8.8
303.11157	1.3
315.10672	2.6
333.16931	2.5
341.12448	1.3
351.17700	1.3
367.88586	1.2
373.11218	3.6
385.18384	3.9
413.17978	2.8
417.26205	1.8
443.18964	4.7
453.20892	9.0
469.20517	4.9
471.21936	2.3
481.20566	2.9
483.21774	2.2
485.17020	8.3
512.22217	1.2
525.23370	3.7
527.28369	1.2
549.26849	1.8
553.28040	1.2
567.31677	2.4
583.27118	1.2
595.31152	2.4
625.32031	4.1
647.15729	1.1
651.33905	1.7
681.32526	3.6
693.34509	26.9
694.34076	1.4
733.40955	2.9
737.37042	1.1
761.39172	2.9
779.41119	100.0
780.41235	6.8
802.70679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.2
57.03428	4.0
61.02928	8.8
62.66193	1.8
67.05495	13.6
69.03414	4.6
69.07057	3.7
70.10528	4.3
70.10915	3.8
71.04991	6.0
72.08148	12.0
73.02929	4.0
79.05476	9.0
81.03414	4.8
81.07057	10.2
85.02895	6.6
88.64008	1.8
91.03940	6.0
91.05493	7.0
91.68458	2.0
93.07037	5.3
95.04992	2.5
95.08605	5.3
97.02893	6.7
98.21375	2.7
101.02375	2.8
105.07029	4.9
107.07870	2.1
107.08594	4.3
109.10152	3.9
110.33542	1.8
116.98645	2.8
119.08652	2.7
121.10175	2.9
127.03925	3.8
129.05554	2.6
133.10129	4.3
135.11726	4.0
145.10133	2.9
149.01163	2.1
180.91803	1.8
185.04269	4.6
243.08510	3.8
280.35983	2.0
301.09018	4.7
315.10379	3.5
371.16769	4.0
373.10840	2.5
425.21570	2.5
439.19531	6.6
471.22070	7.0
485.23547	4.3
497.23743	4.1
503.88858	2.2
511.21686	6.9
535.28851	3.3
553.30237	4.3
567.27667	3.4
593.32312	2.4
612.17468	2.1
622.33655	5.7
654.32098	5.6
733.41138	29.5
761.40503	9.4
779.42389	100.0
780.40143	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	779.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.5
55.05510	1.5
57.03433	1.8
61.02929	4.0
65.03929	0.3
67.05503	3.6
69.03421	2.8
69.07065	2.0
70.05843	0.3
71.04993	0.7
73.02915	3.2
79.05490	4.5
81.03417	3.7
81.07053	4.3
83.04976	1.7
83.08601	1.5
85.02899	5.5
87.04485	0.4
91.03963	2.8
91.05473	3.6
93.07043	2.9
95.04981	1.6
95.08594	1.6
97.02901	3.3
97.06551	0.5
97.10174	0.3
98.20763	0.6
99.04470	0.7
101.02385	1.4
103.03966	0.4
105.07021	2.6
107.08581	1.9
109.02892	0.7
109.06536	0.5
109.10155	0.5
111.08093	0.7
117.07005	0.6
119.08565	2.4
121.10157	0.9
123.08047	0.5
127.03938	0.9
129.07001	0.9
130.71318	0.3
131.08592	1.1
133.10139	1.3
135.11736	0.6
145.10143	0.8
147.11743	0.9
149.09636	0.6
157.10168	1.1
172.82553	0.3
175.11200	0.9
185.04250	0.6
193.12263	1.1
195.13910	0.4
203.05351	0.4
211.13324	0.7
243.08392	3.1
251.12520	0.7
253.12694	0.5
256.14236	0.3
269.12317	1.6
271.13959	0.4
278.35944	0.3
307.14890	0.5
333.20380	1.6
439.19482	0.7
453.21140	1.0
469.20468	9.3
522.51996	0.3
544.37756	0.4
551.28290	3.7
558.81854	0.3
681.34180	0.8
779.41791	100.0
780.42078	5.6
800.66516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.05496	1.9
57.03432	1.8
61.02925	5.7
67.05501	4.2
69.03432	3.0
69.07069	2.2
71.04995	0.8
72.08169	0.5
73.02902	3.8
76.72319	0.4
79.05496	3.9
81.03410	4.9
81.07064	4.7
83.04949	0.6
83.08626	1.5
85.02905	7.1
87.04500	0.4
91.03951	2.5
91.05468	4.0
93.07031	2.9
95.04958	2.0
95.08611	1.9
97.02886	4.2
97.06516	0.5
99.04459	0.9
101.02375	1.7
104.25571	0.5
105.07033	1.7
107.04948	0.6
107.08602	1.2
109.02876	0.6
109.06536	0.5
109.10149	1.0
111.08103	0.8
115.03934	0.5
117.07030	0.8
119.08598	1.6
121.10151	1.2
123.08067	0.6
127.03912	1.3
129.07036	1.2
131.08585	1.7
133.10124	2.1
145.10170	0.4
147.11682	1.2
157.10168	1.2
175.11212	0.9
193.12291	1.2
203.05173	0.5
211.13326	0.9
221.67894	0.4
229.28355	0.5
243.08449	3.2
251.12633	0.8
267.15842	0.6
269.12549	0.5
301.09100	0.7
315.01819	0.5
333.20212	2.4
337.58353	0.4
393.16229	0.4
453.21075	1.1
469.20435	11.7
541.22784	0.5
551.28412	4.0
634.69562	0.4
681.34808	1.2
687.15729	0.4
716.50958	0.5
770.76483	0.6
779.41803	100.0
780.41931	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	779.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
56.96571	1.2
57.13400	0.5
61.02921	0.9
65.34299	0.5
67.05492	2.1
69.07050	0.6
69.34906	5.3
72.08158	1.6
73.02900	0.9
79.05492	1.2
81.03389	0.6
81.07054	1.7
85.02919	0.9
91.05479	1.5
93.07054	1.4
95.04971	0.7
95.08591	0.8
97.02912	0.7
98.97565	0.5
105.06997	0.6
109.10179	1.0
110.72474	0.5
116.98666	0.9
129.06918	0.5
135.11703	0.6
135.85295	0.5
137.09679	0.5
149.01225	1.5
149.08324	0.5
177.00735	0.6
233.03432	0.6
251.09743	0.8
265.33554	0.5
269.10535	3.3
287.11646	2.3
293.05554	1.1
331.15552	0.8
349.16992	1.8
367.17770	0.7
372.95514	0.6
408.32751	0.7
469.18649	0.9
487.18579	4.4
506.35080	0.7
567.25629	1.6
693.34039	1.6
733.41119	1.4
779.39795	100.0
780.39435	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	777.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	2.3
57.03418	2.2
63.30904	1.7
67.05494	3.7
69.03423	3.0
69.07054	3.3
70.24040	5.4
75.96638	1.9
79.05483	4.3
81.07046	7.8
83.04970	3.6
85.02909	5.6
85.06523	3.7
91.05455	2.2
93.07030	10.4
95.04977	2.6
95.08608	11.9
97.06541	3.9
99.08092	5.2
105.07038	5.1
107.04952	2.5
107.08601	23.9
109.06506	6.2
109.10165	7.0
119.08575	3.7
121.06461	11.6
121.10142	19.6
123.08066	14.4
123.11771	2.3
125.09607	2.7
131.08554	6.3
133.10103	12.4
135.08051	8.1
135.11693	2.7
137.09604	2.5
139.11162	1.9
145.10042	2.1
147.11687	2.8
149.09604	31.6
149.13193	9.3
151.11174	12.4
153.09074	2.3
163.11208	2.4
163.14828	18.8
167.73453	2.3
173.13246	14.2
191.14299	46.9
200.79404	1.8
209.15358	100.0
210.81297	1.7
227.16418	4.2
232.81578	2.2
234.78743	2.0
290.22336	1.8
388.17560	3.9
388.67239	2.5
411.19891	4.8
431.31369	1.9
511.84433	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	777.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34978	0.5
54.57083	0.5
55.01859	1.1
55.05502	1.7
56.96576	0.5
57.03439	2.5
61.02927	4.3
67.05502	3.9
69.03429	3.3
69.07064	1.4
69.32927	0.4
69.33230	4.9
71.01364	0.6
71.04981	1.1
72.08145	0.6
73.02908	3.7
74.95232	0.5
79.05495	4.3
81.03415	4.3
81.07052	5.0
83.04971	2.2
83.08618	1.5
85.02905	6.6
85.06505	0.7
91.03952	3.0
91.05461	4.8
93.07032	4.2
95.04958	2.5
95.08604	2.5
97.02889	4.5
97.06552	0.7
97.10168	0.5
99.04460	0.6
101.02390	2.1
103.03954	0.5
105.07037	4.3
107.04932	0.9
107.08601	2.2
109.02885	0.9
109.06523	0.6
109.10174	1.6
111.08076	0.8
117.07026	0.7
119.08576	1.4
121.10153	1.0
127.03941	1.6
129.05482	0.6
129.07027	0.9
131.08603	1.9
133.06438	0.4
133.10141	2.0
135.11728	0.5
145.10178	0.8
147.11665	2.5
149.09619	0.9
157.10159	1.5
164.50192	0.5
165.12730	0.7
175.11215	1.1
185.04260	1.1
193.12227	2.6
203.05341	0.6
211.13260	0.9
221.84012	0.5
243.08391	2.7
251.12634	1.2
285.10184	0.6
285.17172	0.8
301.08957	0.6
313.17749	0.9
315.10535	0.6
331.18912	2.7
390.19949	0.5
400.49915	0.5
451.19351	1.2
469.20486	12.0
470.20688	0.8
531.26050	1.3
549.26489	2.3
679.32953	2.7
700.07391	0.6
731.39508	0.6
759.39178	8.3
777.40289	100.0
778.40314	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	777.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.7
57.03458	1.3
62.65720	1.5
67.05499	2.8
69.03400	2.3
69.70790	1.5
71.59827	2.0
72.08147	2.4
79.05493	3.7
81.03420	2.8
81.07035	3.0
85.02905	3.4
91.05489	3.3
95.04952	3.3
95.08631	1.7
97.02882	4.2
105.07037	1.8
121.10134	1.4
138.63171	1.5
149.01250	2.3
161.01280	1.5
167.07108	2.2
177.05400	2.6
249.08112	3.1
262.97311	1.6
267.09042	14.9
269.10602	1.7
285.10098	17.9
293.05557	2.6
303.11520	1.8
308.11563	2.0
439.19165	3.5
485.17044	13.4
677.28687	3.2
699.35413	3.5
717.36560	2.0
777.36676	100.0
778.36633	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	777.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.6
56.96550	1.0
57.03424	2.4
59.04990	1.6
60.82053	0.5
61.02919	4.9
67.05496	7.3
69.03430	2.7
69.07064	1.0
71.04992	1.0
73.02907	4.0
79.05493	2.7
81.03410	3.6
81.07046	3.2
83.04991	1.1
83.08602	1.4
85.02885	5.6
85.06544	0.7
87.04451	0.9
91.03953	2.4
91.05467	3.5
93.07036	2.8
95.04974	0.8
95.08611	1.1
97.02871	4.7
97.06509	0.9
98.21448	1.1
98.73224	0.5
99.04446	1.1
101.02341	1.6
103.03902	1.1
103.39783	0.5
103.83081	0.5
105.07022	1.6
107.04961	0.8
107.08585	0.8
109.02866	0.8
109.10156	6.6
111.08067	0.7
119.08575	1.6
121.10186	1.6
127.03925	1.9
129.07025	1.1
131.08585	0.9
133.10147	2.3
147.04407	0.9
147.11722	0.7
149.01315	0.7
149.09639	1.6
153.01859	0.7
157.10187	1.3
165.02058	0.6
173.11766	1.6
175.11143	0.9
182.69810	0.5
193.12251	1.7
195.09871	1.0
229.14383	1.2
243.08485	2.2
267.09375	0.9
267.16058	1.5
274.53726	0.6
283.15167	3.6
285.10156	1.9
339.17899	0.8
413.17734	13.6
413.22977	0.8
430.18634	0.8
431.38962	0.6
467.18954	0.7
501.22995	14.2
511.29031	0.9
673.34003	100.0
674.34619	4.8
759.37329	1.0
777.38702	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55846	0.4
55.01866	1.5
55.05508	7.6
56.05033	1.3
57.03430	0.8
57.05809	0.7
57.07074	14.9
59.04980	0.4
63.98263	0.4
65.03944	1.3
65.60438	0.4
65.73917	0.4
67.05501	18.7
69.03439	0.8
69.07063	7.2
69.16029	0.4
70.06579	3.8
70.65733	1.3
71.04951	0.4
71.08627	14.5
72.08150	100.0
79.05489	10.9
79.05951	0.5
81.03426	1.5
81.07051	20.4
83.05000	2.2
83.08613	8.1
85.06542	1.1
85.10181	5.8
87.25191	0.4
90.09197	1.1
91.05472	8.3
91.05998	0.5
93.07039	11.6
95.04968	4.0
95.08601	15.3
97.06515	2.0
97.10174	3.5
99.08087	2.7
99.11726	0.5
105.04560	0.5
105.07032	6.0
107.08592	5.0
108.24162	0.4
109.06502	1.6
109.10143	6.4
111.08076	0.8
117.07020	1.9
119.08590	4.2
121.06528	1.0
121.10133	2.8
123.11699	2.5
125.09618	0.6
129.07002	1.1
131.08539	2.4
133.10132	3.6
135.08086	0.6
135.11671	2.6
137.09650	0.6
137.13266	1.3
137.78278	0.4
139.11182	1.1
143.08591	0.5
145.10123	1.0
147.11700	1.9
149.09576	0.5
149.13240	2.2
151.11163	2.7
157.10165	0.6
159.11705	1.3
161.13304	1.4
163.11165	1.9
165.12766	0.9
170.05765	27.4
175.14827	0.8
177.12776	1.2
179.14360	1.6
185.13298	0.8
195.13777	2.4
223.44176	0.4
231.21104	0.7
233.15288	1.2
239.23773	2.2
241.19571	1.6
242.17487	0.4
251.16386	3.9
259.20612	1.6
277.21594	6.6
293.21204	1.1
294.21469	0.9
295.22693	1.1
313.27344	9.9
315.23294	0.7
323.25787	0.5
333.24243	0.4
341.26935	0.9
351.25299	3.7
382.22989	0.5
467.37460	1.2
482.32208	0.6
493.39050	1.1
507.40424	59.0
508.40625	2.2
523.38544	0.5
571.47308	4.0
589.48236	23.9
590.49036	0.5
595.07086	0.5
604.46667	1.7
607.49225	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	775.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.7
55.05510	2.2
57.03437	2.2
60.08009	0.4
61.02927	5.8
67.05504	6.8
69.03426	3.8
69.07072	2.5
71.01365	0.6
71.04982	0.9
71.61073	0.4
73.02912	4.4
75.08722	0.4
79.05495	7.3
81.03419	2.9
81.07052	6.9
83.04982	1.6
83.08626	1.2
85.02898	3.9
85.06593	0.4
91.03948	2.4
91.05479	5.0
93.07043	5.8
95.04955	2.1
95.08606	3.5
97.02893	4.3
97.06537	0.9
97.10171	0.4
98.20593	0.6
99.04425	0.7
101.02390	1.8
104.19485	0.4
105.07030	3.6
107.04938	0.7
107.08587	2.6
109.02919	0.7
109.06505	0.5
109.10160	1.0
110.10874	0.4
117.07030	1.4
119.08582	3.1
121.06532	0.4
121.10155	1.3
122.77985	0.4
123.08095	0.6
127.03932	1.3
129.07019	1.5
131.08585	1.1
133.10159	1.6
135.11719	0.8
137.09615	0.6
143.08556	0.8
145.10135	1.2
147.08035	0.5
147.11716	1.8
161.13214	0.8
171.11754	2.2
185.04308	0.7
189.12939	0.6
191.89557	0.4
203.05295	0.7
207.13811	0.4
243.08391	3.5
247.13074	2.0
275.20181	0.5
281.17395	0.5
303.15796	0.4
333.20349	2.3
335.15399	0.4
365.97107	0.4
439.19717	1.3
453.21002	0.9
465.21005	11.1
551.28308	6.5
613.37628	0.6
775.42322	100.0
776.42792	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	775.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05511	2.6
57.03432	2.1
61.02924	4.9
65.03928	0.4
66.67764	0.3
67.05502	7.3
69.03425	3.0
69.07068	2.6
71.01347	0.7
71.04999	0.8
73.02911	4.4
76.47008	0.3
79.05490	6.5
80.05804	0.5
81.03405	3.5
81.07048	8.7
82.07407	0.5
83.04972	2.1
83.08614	1.3
85.02909	4.3
85.06557	0.6
91.03945	2.3
91.05474	6.8
93.07037	7.4
94.07326	0.4
95.04960	2.4
95.08604	3.5
97.02888	5.0
97.06529	1.0
97.10172	0.4
99.04484	0.7
99.08138	0.4
101.02403	1.8
105.04527	0.4
105.07032	4.2
107.04952	1.0
107.08584	3.6
109.02901	1.0
109.06555	0.6
109.10143	1.7
117.07027	1.4
119.08577	2.6
121.06520	0.5
121.10153	1.4
123.08057	0.7
123.11734	0.4
125.09604	0.4
127.03921	1.3
129.07045	1.4
131.08574	1.3
133.10124	1.8
135.11702	1.2
137.09615	0.6
143.08604	0.8
145.10147	1.3
147.11667	2.0
149.13252	0.9
159.11739	1.1
161.13303	0.8
163.11206	0.4
171.11742	1.3
185.04274	0.6
189.12833	0.6
203.05325	0.6
207.13756	0.6
217.15901	0.4
243.08391	3.0
247.13136	1.4
269.17542	1.5
275.20313	0.4
333.20306	1.7
349.23782	0.8
377.73846	0.4
439.19611	0.6
453.21082	1.2
465.20975	10.0
544.36816	0.5
551.28320	5.6
677.35217	1.9
775.42291	100.0
776.42804	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	775.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
56.96560	1.5
57.03422	0.4
60.25003	0.5
66.97741	0.5
67.05503	1.6
69.07058	0.7
69.83393	1.3
69.83826	1.8
71.08625	0.6
79.05495	1.7
81.07059	2.0
83.08611	0.5
91.05477	1.4
92.05790	0.6
93.07039	1.9
95.08601	1.3
98.20796	0.6
103.56363	0.5
105.07063	0.8
105.95562	0.4
107.08578	0.6
108.09000	0.7
116.98693	0.5
119.08626	0.5
123.04419	0.6
130.93507	0.5
131.00175	0.6
146.99661	0.6
149.01198	1.4
167.58086	0.5
229.60786	0.6
240.16791	0.6
281.10754	1.1
293.05756	0.7
299.11789	0.9
299.14966	0.8
300.15164	0.6
315.16211	0.6
333.17563	1.8
335.25974	1.0
351.18301	0.5
357.31113	0.5
481.18427	1.4
499.18597	1.8
551.26215	1.1
569.26190	1.0
775.40253	100.0
776.40259	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	775.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87986	0.3
55.01853	0.9
55.05521	2.7
57.03148	0.3
57.03436	2.2
59.74569	0.3
61.02924	4.7
67.05502	8.5
68.05837	0.5
69.03426	3.0
69.07056	3.3
71.01328	0.4
71.05006	0.9
73.02915	3.5
79.05489	7.5
80.05807	0.6
81.03408	2.9
81.07054	9.8
82.07391	0.6
83.04991	1.5
83.08623	1.9
85.02901	3.9
91.03959	2.5
91.05477	7.0
92.05784	0.5
93.07047	6.5
94.07375	0.6
95.04971	2.6
95.08599	4.6
97.02892	3.9
97.06536	1.2
97.10186	0.6
99.04475	1.2
101.02377	1.4
103.31586	0.4
104.27747	0.3
105.07021	4.5
106.07383	0.3
107.04953	0.9
107.08599	3.2
109.02887	0.8
109.06515	1.2
109.10150	2.0
111.08118	0.6
117.07036	1.4
119.08565	3.3
121.06492	0.5
121.10154	1.9
123.08064	0.8
123.11693	0.7
125.09629	0.4
127.03913	1.2
128.06216	0.5
129.05501	0.5
129.07013	1.4
131.08592	1.0
133.10147	1.6
135.11713	1.1
137.09583	0.6
143.08630	0.5
145.10152	0.9
147.11656	3.8
148.12129	0.4
149.09625	0.8
149.13246	0.9
151.11241	0.4
151.91202	0.4
157.10187	0.4
159.11671	0.7
161.13232	0.6
163.11230	0.6
165.09105	0.4
171.11662	1.7
185.04243	0.9
195.13884	0.8
207.13864	0.6
222.90833	0.4
229.14455	0.6
229.19759	0.4
243.08363	3.6
247.13196	1.1
265.75037	0.4
267.15909	0.4
269.17493	2.0
270.17834	0.9
275.20117	0.8
333.20370	2.7
389.23325	0.6
423.20111	1.2
423.27536	0.7
424.27567	0.7
465.20892	8.8
481.20285	0.7
537.23291	0.8
544.36963	0.6
551.28333	5.5
681.55450	0.4
775.42346	100.0
776.42780	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	774.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05510	5.9
56.05027	0.9
57.03435	1.7
57.05812	1.1
57.07073	13.7
65.03932	1.0
67.05499	17.6
69.03422	0.4
69.07063	8.7
70.06586	3.6
71.04978	0.9
71.08629	9.5
71.55310	0.4
72.08150	100.0
73.08493	0.9
79.05489	10.8
81.03406	1.6
81.07052	20.3
83.04990	1.8
83.08610	5.3
83.37872	0.3
85.02925	0.3
85.06549	1.0
85.10175	5.7
85.10658	0.5
86.26175	0.3
90.09188	1.2
91.05473	10.6
93.07040	10.2
93.07624	0.6
95.04974	3.6
95.08600	14.8
95.75992	0.2
97.06512	2.0
97.10165	2.7
99.08104	0.6
105.04488	0.3
105.07019	7.4
107.04955	1.4
107.08584	4.8
109.06516	1.6
109.10149	6.8
111.08070	0.8
111.11729	0.5
113.09661	0.5
115.05459	0.5
117.07011	3.8
119.08568	6.1
121.06532	0.8
121.10132	3.2
123.08054	0.8
123.11686	2.7
125.09666	0.4
128.06247	0.4
129.07039	1.1
131.08557	4.0
133.06523	0.5
133.10132	4.7
135.08083	0.8
135.11678	2.1
137.03258	0.3
137.09637	0.9
137.13249	0.7
139.11113	0.3
143.08571	1.0
145.06543	0.3
145.10104	3.2
147.08020	0.3
147.11697	2.1
149.09624	2.3
149.13246	1.3
151.11188	0.8
155.08533	0.4
157.10155	1.1
159.11714	2.5
161.09612	0.3
161.13240	0.7
163.11118	1.8
165.12819	0.4
169.10179	0.6
170.05765	25.9
171.11725	1.1
173.09552	0.3
173.13316	1.1
175.11310	0.3
177.12831	0.5
179.14363	1.3
181.12215	0.4
183.11705	0.4
185.13335	0.5
189.11298	0.3
195.13849	1.0
197.13423	0.4
205.16006	0.3
221.22702	0.3
223.13248	0.3
227.12822	0.5
229.19641	0.6
233.15514	0.6
239.18005	0.9
239.23724	1.9
247.20598	0.6
251.16422	2.5
253.14346	0.5
257.19049	1.6
267.15958	0.5
275.20038	6.5
279.19409	0.3
291.19666	0.4
293.21027	0.6
313.21655	0.8
313.27347	10.4
331.22787	0.7
341.26971	0.7
347.22220	0.3
349.23700	3.1
368.88181	0.3
381.15927	0.3
464.31296	0.4
467.37326	1.3
482.32538	0.7
493.38889	6.3
494.39420	0.5
507.40421	32.6
508.40741	2.2
523.40137	0.8
547.43433	1.9
550.00702	0.3
569.45728	3.9
570.45911	0.3
587.46661	19.4
588.47186	1.4
605.47699	13.2
606.48090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.05507	8.4
56.05038	1.2
57.03455	1.5
57.05809	0.6
57.07076	14.0
64.84158	0.3
65.03938	1.2
67.05505	17.1
69.03421	0.7
69.06715	0.6
69.07069	9.8
70.06590	3.3
71.04991	1.0
71.08630	10.2
71.09708	0.8
72.08153	100.0
72.95273	0.3
73.08495	0.5
75.09076	0.3
79.05490	9.6
81.03419	1.1
81.07052	18.2
83.04988	2.4
83.08615	8.2
85.02882	0.6
85.06554	1.1
85.10174	5.3
89.06019	1.5
90.09190	1.5
91.05475	8.3
92.05817	0.4
93.07041	9.7
95.04977	5.5
95.08605	14.0
97.06519	2.1
97.10165	4.0
99.04443	1.1
99.08118	0.5
99.11715	0.4
105.07029	7.4
107.04958	1.9
107.08587	7.5
107.09273	0.5
109.06526	2.0
109.10149	6.9
109.10818	0.6
111.04419	1.6
111.08099	0.9
111.11701	0.6
113.06034	0.5
115.05469	0.6
117.06995	3.0
119.08575	4.9
119.09348	0.5
121.06529	0.9
121.10141	3.9
123.08076	0.9
123.11731	2.0
125.09612	2.0
126.58757	0.3
129.06979	1.0
131.08565	4.0
133.06522	0.5
133.08591	0.5
133.10138	3.9
135.08083	1.2
135.11690	2.5
137.09612	0.7
139.11182	0.7
143.08623	0.8
145.10124	3.7
145.94405	0.3
147.08009	0.4
147.11703	2.7
149.09599	3.8
149.13283	0.7
151.11162	0.6
155.08572	0.7
155.10614	0.3
157.10147	0.8
159.11702	2.3
161.09622	0.5
161.13306	1.2
163.11169	3.2
169.10182	0.7
170.05766	21.6
171.11743	0.8
173.09717	0.3
173.13310	0.7
175.11276	0.5
177.11302	0.4
177.12701	0.7
179.14307	0.7
182.24014	0.3
183.11713	0.7
187.11211	0.4
189.11292	1.3
195.13887	0.4
197.13205	0.4
205.12288	0.3
223.13278	3.1
227.12869	1.4
229.19502	0.6
239.18024	0.8
239.23727	1.6
251.16499	0.6
257.18973	1.9
267.15948	0.5
275.20050	9.0
293.21109	3.6
296.41306	0.3
313.21652	0.7
313.27283	4.3
331.22745	0.7
349.23651	2.3
482.32776	0.4
482.74335	0.4
483.37030	0.6
493.38885	3.8
507.40445	9.6
562.57141	0.3
569.45673	1.8
587.46667	20.6
588.46997	1.2
601.45038	0.4
602.44946	1.2
605.47723	34.9
606.48175	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	774.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42849	1.5
55.01867	5.1
55.05506	25.9
55.74936	1.5
57.03431	15.3
57.07066	2.5
59.05002	1.6
61.02916	7.0
65.03934	3.8
67.05502	80.6
68.05830	1.8
69.03417	7.4
69.07063	23.4
69.91223	2.7
69.91627	7.0
71.04988	37.3
73.02901	3.6
79.05006	1.9
79.05486	55.2
81.03423	8.9
81.07052	100.0
82.07343	2.1
83.05000	7.6
83.08611	11.2
85.02898	6.1
85.06544	8.3
91.03934	2.5
91.05473	78.5
92.05785	2.5
93.07039	63.5
95.04961	10.3
95.08599	35.6
97.02864	4.3
97.06532	10.0
97.10181	4.8
98.20727	2.1
99.04483	2.5
99.08092	2.9
105.07025	65.4
107.04963	3.6
107.08588	31.1
109.02874	2.3
109.06525	4.9
109.10144	17.9
110.93147	1.6
111.08074	1.9
116.13330	1.9
117.07008	22.4
118.76862	1.6
119.08577	38.8
121.06490	2.1
121.10135	22.0
123.08112	1.8
123.11710	14.4
125.09645	5.9
128.06212	3.4
129.07016	13.5
130.07736	2.4
131.08566	27.2
133.10124	49.8
134.10408	1.8
135.08066	3.1
135.11671	13.3
141.06952	2.0
143.08585	11.9
144.27640	1.5
145.10129	21.2
147.08076	1.9
147.11687	26.5
149.09702	3.6
149.13263	11.2
151.11203	9.7
155.08472	2.4
157.10121	13.5
159.11705	22.6
161.13232	13.5
163.11102	2.0
163.14844	1.9
169.10153	6.5
171.11687	12.9
173.04466	2.6
173.13255	11.4
175.11234	1.8
175.14845	4.5
177.12799	2.0
183.11699	4.7
183.13795	2.6
185.13210	7.6
187.13338	3.8
187.14821	4.6
189.16261	1.8
195.11717	2.1
195.13835	3.2
197.13277	4.0
199.14867	2.6
201.14845	3.5
209.13231	2.2
211.14854	2.0
213.16418	2.0
241.19545	13.3
243.08604	1.7
243.15953	5.8
257.17545	6.4
259.20596	29.5
261.21973	1.9
267.16022	2.3
269.17551	3.6
275.20267	2.2
285.22403	1.8
297.22238	2.0
299.18488	2.5
301.20047	24.7
315.23276	8.8
331.22873	2.0
333.24170	26.2
335.26028	2.6
341.03867	1.7
409.31125	6.6
427.32004	2.1
435.32544	6.8
465.21347	4.1
466.21460	4.5
483.34824	8.0
501.35709	85.2
503.37137	4.6
509.36597	3.1
527.37262	48.8
533.38574	8.5
545.38287	7.9
550.27264	2.6
559.39978	24.1
703.44757	2.4
734.14545	2.3
739.73883	1.9
774.41034	67.9
775.41718	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	774.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.8
55.05508	18.5
57.03432	16.0
57.07060	3.1
65.03943	2.3
67.05502	55.2
67.40912	1.5
69.03413	3.5
69.07077	13.6
71.04979	3.6
79.05492	39.1
81.03410	83.7
81.07052	53.4
83.04958	6.7
83.08614	20.1
85.06538	3.1
91.05475	28.7
93.07041	37.2
95.04961	28.8
95.08600	36.6
97.02885	1.8
97.06525	3.0
97.10165	8.0
98.20721	4.1
105.07026	23.3
105.79368	1.6
107.04953	6.5
107.08586	25.7
109.06502	6.5
109.10136	18.5
110.51790	1.7
111.04429	2.5
111.08083	7.0
117.07009	6.4
119.08583	19.0
121.06458	3.2
121.10141	22.2
123.08070	3.7
123.11679	6.4
125.09615	4.9
129.06979	8.1
131.08574	17.0
133.06512	2.8
133.10104	13.6
135.11678	11.0
137.09663	1.9
137.13394	1.9
142.07745	2.5
143.08534	2.9
145.10083	10.7
147.07999	3.1
147.11647	12.0
149.09627	4.6
149.13229	6.3
151.14798	1.9
151.18427	1.7
157.10158	7.5
159.11694	5.5
161.13263	6.6
163.11206	2.5
163.14767	2.9
165.12781	2.6
171.10278	2.0
171.11699	2.8
173.13275	6.5
175.11191	6.8
185.13174	2.7
187.14703	2.9
189.11215	3.1
193.12257	19.6
203.17821	1.7
227.12743	7.8
230.48712	1.7
235.13231	2.1
243.21080	5.1
261.22128	18.6
267.15891	100.0
285.22311	1.7
301.25272	5.5
309.17032	3.0
317.24887	4.2
335.25806	73.2
421.25809	3.0
435.27518	1.9
435.32794	3.2
453.33441	6.8
471.34735	4.3
527.37299	55.3
545.38367	39.4
569.37988	3.4
598.70575	1.8
641.81775	2.0
662.61414	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	774.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	3.7
55.05259	1.5
55.05508	17.7
57.03434	18.5
57.07073	2.9
57.29116	1.1
65.03927	3.4
66.18654	1.2
66.67403	1.3
67.05500	64.5
68.14425	1.1
69.03410	3.8
69.07065	14.4
70.52332	1.2
70.84510	2.8
71.04980	3.1
79.05486	42.7
81.03413	86.4
81.07052	62.0
83.04984	5.9
83.08617	23.1
85.06524	2.9
91.05476	35.8
93.06470	2.6
93.07038	48.0
95.04966	28.4
95.08601	42.5
97.02866	2.6
97.06522	5.8
97.10153	7.2
99.08080	2.9
105.07021	29.1
107.04945	8.9
107.08585	26.3
109.06512	5.7
109.10143	18.9
111.04402	1.4
111.08074	6.1
115.05482	1.4
117.07011	8.4
117.73981	1.2
119.04948	1.6
119.08576	24.6
121.06511	4.0
121.10138	23.8
123.04411	2.1
123.08044	3.6
123.11684	8.8
125.09613	4.8
129.06996	10.8
131.08566	18.9
133.06461	3.8
133.10121	15.1
135.07997	1.5
135.11674	13.9
137.09596	3.0
137.13277	2.7
142.07753	2.3
143.08534	2.1
145.10121	8.5
147.08003	3.4
147.11670	11.7
149.09607	4.9
149.13231	6.8
157.10115	11.4
159.11720	7.5
161.13200	5.9
163.11177	2.1
163.14833	3.4
165.12701	2.4
171.11617	1.6
173.11938	1.4
173.13205	7.0
175.11145	8.0
175.14827	3.5
177.16415	1.6
182.75494	1.2
185.13284	1.3
186.13686	1.1
187.14798	3.3
189.11163	4.1
189.12695	1.9
193.12236	20.3
201.16333	1.4
213.16321	1.8
227.12769	5.2
235.13332	3.3
237.14850	1.2
243.21126	5.6
249.14832	2.4
261.22137	17.4
267.15906	95.5
279.23264	1.7
299.23801	1.8
301.14438	1.4
301.25186	5.3
307.18643	1.4
309.17010	3.6
317.24768	4.2
335.25778	100.0
421.25870	2.3
435.27304	2.0
435.32709	5.9
453.33511	9.8
466.84250	1.2
471.34479	4.9
475.30545	1.4
509.37073	1.3
527.37286	63.9
528.37213	2.2
545.38324	43.1
559.40277	2.3
569.38257	4.5
635.38977	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.4
55.05506	38.8
57.03434	22.6
57.07084	1.9
57.32199	1.4
59.04991	1.8
61.02918	4.6
65.03929	4.8
67.05499	79.7
69.03426	10.9
69.06714	2.4
69.07063	32.7
69.26689	16.5
69.34921	1.4
71.01321	2.4
71.04990	10.6
73.02914	3.4
79.05486	72.4
81.03413	81.6
81.07052	100.0
82.07381	1.8
83.04981	30.8
83.08613	37.6
85.02898	31.4
85.06542	6.2
89.61985	1.4
91.05476	77.1
91.11205	1.3
93.07036	68.4
95.04962	38.0
95.08599	35.4
97.02882	9.2
97.06519	21.6
97.10146	10.4
99.04472	3.2
99.08081	3.9
105.04427	1.9
105.07024	54.6
105.22379	1.4
107.04961	14.5
107.08580	40.1
109.06519	11.7
109.10149	12.6
111.04415	4.1
111.08064	14.4
113.05988	3.8
115.05461	2.7
117.07004	17.5
119.08573	43.5
121.06504	6.0
121.10139	28.2
123.08064	8.6
123.11706	6.3
125.09611	5.3
127.03889	3.2
128.06233	1.7
129.06992	21.1
131.08557	29.2
133.06444	3.5
133.10129	34.4
135.08037	4.9
135.11678	19.2
137.09598	4.6
142.07799	3.2
143.08563	5.0
145.06509	2.8
145.10106	16.2
147.08034	5.8
147.11678	25.2
149.09610	19.2
149.13254	15.4
151.11186	2.8
151.62195	1.3
153.09061	1.4
155.08498	2.6
157.10110	21.0
157.11317	1.9
158.10410	1.7
159.11691	14.3
161.09541	2.8
161.13200	3.8
163.11147	8.1
165.12746	5.6
169.10184	3.1
171.11636	3.2
173.13228	5.8
175.11192	21.7
177.12756	5.6
179.14337	2.0
181.12206	1.7
183.06503	2.3
183.11623	2.0
185.13191	2.1
189.11172	2.3
193.12239	52.3
195.13765	8.5
197.13278	1.7
211.13280	73.4
213.14751	1.9
227.12729	3.9
229.14281	1.5
239.18002	2.0
247.20534	2.0
249.14844	1.5
253.14264	1.6
255.15868	13.4
257.19089	7.0
267.15884	38.3
269.14539	2.3
269.17459	48.3
270.17746	2.5
273.18411	4.0
275.20078	23.1
285.16959	72.7
286.17252	2.4
291.19620	4.8
293.21103	2.9
321.24072	1.7
331.22562	2.0
339.18097	1.4
347.22153	1.7
349.23721	20.9
365.23157	3.0
367.24750	5.3
381.22238	1.5
387.25107	1.9
439.26953	1.9
443.27856	3.2
447.27353	11.6
461.28928	36.7
462.29272	2.3
465.28354	16.4
479.30014	98.3
480.30112	7.2
496.56357	1.5
519.33185	1.8
541.35352	11.0
547.25000	1.5
559.36224	28.5
560.36664	2.0
577.37335	6.9
623.34070	3.7
735.47937	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.7
55.05507	25.6
57.03178	2.1
57.03436	21.2
59.05000	2.2
61.02914	4.6
65.03931	5.8
67.05501	96.6
69.03419	14.7
69.07063	28.0
71.01357	4.8
71.04989	25.6
71.08596	1.9
71.59873	1.8
72.08143	3.8
73.02928	2.2
75.43753	1.4
77.03925	1.6
79.05489	61.2
80.10443	1.6
81.03419	20.2
81.07051	100.0
83.04972	16.6
83.08613	15.7
85.02885	11.3
85.06541	8.9
91.03984	2.2
91.05477	61.3
93.07039	67.4
94.07334	2.4
94.07863	2.1
95.04964	17.0
95.08600	42.0
96.08891	1.7
97.02884	13.1
97.06529	15.1
97.10172	5.7
98.88606	1.6
99.04462	2.9
99.08087	4.5
105.07018	40.2
107.04954	5.0
107.08580	48.1
109.02883	4.4
109.06496	7.7
109.10147	29.3
111.08064	7.9
117.07001	18.1
119.08552	21.5
121.06477	4.0
121.10140	20.1
123.08061	13.4
123.11711	8.8
125.09626	4.9
127.03905	5.5
128.06174	1.6
129.05469	9.3
129.07011	7.3
131.08562	19.4
133.06456	1.6
133.10118	40.3
133.11072	3.1
135.04585	1.8
135.08012	5.1
135.11676	22.8
137.09630	8.1
143.08543	5.4
145.10146	13.2
147.07957	2.0
147.11687	15.2
149.09608	6.8
149.13295	13.9
151.11165	12.4
155.08566	2.1
157.10121	7.4
159.08020	2.3
159.11664	12.7
161.09583	3.7
161.13251	4.6
163.11206	5.2
165.12727	3.2
169.12251	2.9
171.11667	3.5
173.04477	5.0
173.11792	2.6
173.13228	3.5
175.11168	4.4
175.14720	2.5
177.12793	3.9
179.10645	1.7
181.12231	2.3
185.13304	3.5
187.11203	1.8
187.13344	2.0
193.04942	1.8
193.12202	2.4
195.13757	15.4
211.13242	4.0
213.14792	2.0
223.13329	2.1
239.16426	2.5
241.17928	4.3
243.15881	12.1
253.14363	28.3
255.15779	15.8
259.20535	4.6
267.15878	5.4
269.17459	40.5
273.18436	9.5
275.20062	6.7
285.17001	4.9
287.18539	7.5
291.19479	9.6
295.18903	2.1
333.14459	1.8
333.24326	5.3
335.25928	2.3
347.22302	2.8
349.23853	3.0
365.23157	9.1
390.45825	1.7
391.29987	1.7
407.23727	1.9
420.28555	8.7
437.28946	17.3
439.27084	9.0
449.28848	11.5
461.28912	3.4
465.28503	3.6
479.30093	2.3
501.35507	7.5
519.33075	17.0
527.37469	3.7
545.35309	3.9
559.36603	7.3
577.37250	10.9
774.40961	6.5
775.41760	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	774.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	15.2
55.05506	40.6
57.03433	24.3
57.07064	2.4
61.02908	6.3
65.03943	5.6
67.05499	77.9
69.03422	13.3
69.07067	41.7
69.51050	14.4
69.51458	3.6
71.04990	8.9
73.02908	3.4
73.06574	2.7
79.05487	80.6
81.03411	100.0
81.06571	4.9
81.07050	91.6
83.04971	30.1
83.08611	47.0
83.87825	2.0
85.02901	35.3
85.06530	3.1
89.53120	2.2
91.05475	87.3
93.06458	4.7
93.07035	72.1
95.04958	50.6
95.08601	41.0
97.02882	7.3
97.06526	21.8
97.10168	18.0
98.21112	9.4
99.04448	3.5
99.08061	3.1
105.07023	67.7
107.04945	20.1
107.08580	45.7
109.02877	3.0
109.06523	10.3
109.10140	15.2
111.04461	3.1
111.08055	13.6
113.05963	2.5
115.05460	5.2
117.07009	15.3
117.56891	2.1
119.08566	47.4
119.09357	4.1
121.06493	7.0
121.10131	25.7
123.08055	8.0
123.11698	6.7
125.09636	12.9
127.03897	4.6
129.06999	19.9
130.07809	3.1
131.08542	36.6
133.06557	3.3
133.10121	41.3
135.08058	4.7
135.11682	13.9
137.09612	4.6
141.06984	3.1
142.07782	5.2
143.08537	5.4
145.10098	24.4
147.08040	5.8
147.11670	34.7
149.09622	23.0
149.13261	8.5
151.11180	3.6
155.08484	2.3
157.10127	23.5
159.11662	18.4
161.13261	5.0
163.11153	14.7
165.12738	7.2
169.10123	3.7
171.11644	2.6
173.04512	2.9
173.13289	6.3
175.11160	22.5
177.12773	3.1
179.14322	3.8
187.11101	2.9
189.11194	9.2
189.12677	2.6
193.12216	65.0
195.13762	5.6
201.12877	2.1
206.75703	2.5
211.13269	94.9
215.14603	3.1
227.12743	24.5
229.14323	4.3
229.42766	2.3
239.18011	3.9
247.20456	3.3
249.14882	2.2
254.73311	2.4
255.15959	9.4
257.18860	14.9
261.14835	2.4
267.15869	44.1
269.17450	22.0
275.20020	53.6
285.16949	91.8
286.17279	3.1
293.21179	4.0
321.24402	2.2
331.22647	5.2
349.23776	39.1
367.24664	2.3
393.78455	2.2
437.25253	3.3
439.27042	4.5
443.27853	2.6
447.27353	9.5
455.26172	5.1
461.29037	20.0
465.28455	16.5
468.81967	2.4
479.30048	64.1
480.30042	3.3
496.22540	2.2
541.35162	18.7
559.36298	48.3
560.36890	3.0
577.37170	5.2
623.34625	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	773.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.6
55.05255	2.9
55.05505	31.0
57.03439	14.6
57.07061	6.5
61.02918	17.3
64.68114	2.8
65.03931	4.5
67.05500	81.7
69.03426	14.1
69.07062	27.1
71.04983	3.9
72.08144	8.0
73.02900	8.9
79.05056	4.2
79.05487	59.0
81.03424	11.1
81.07055	77.4
82.07341	3.2
83.04971	5.0
83.08617	14.7
83.19040	2.2
85.02897	20.7
85.06532	3.8
91.03941	8.2
91.05476	52.3
93.07040	54.8
95.04978	10.8
95.08599	50.8
97.02885	14.6
97.06517	6.7
97.10132	5.5
98.20704	5.4
99.08083	3.5
105.04512	3.3
105.07032	57.5
107.04927	3.0
107.08586	34.3
109.06498	5.7
109.10153	24.5
114.72405	2.1
115.05444	3.0
117.07010	23.6
119.08569	47.3
121.10136	28.3
123.08056	4.1
123.11691	8.0
127.03870	2.5
128.06195	5.0
129.06978	16.3
129.14610	2.1
131.08565	34.3
133.06483	2.9
133.10135	37.5
135.08049	2.7
135.11703	21.5
137.09656	3.9
137.13153	2.6
141.06953	4.9
143.08549	19.2
145.06548	2.5
145.10121	33.0
145.80885	2.1
147.11670	29.0
149.09572	3.0
149.13287	11.5
155.08545	9.3
157.10133	20.7
159.11717	25.6
161.09622	2.7
161.13293	20.6
163.14780	3.8
169.10146	9.3
171.11700	19.8
173.13226	24.9
175.11113	2.9
175.14816	10.2
177.12749	3.4
181.10110	5.6
183.11656	9.6
185.13251	14.0
187.11136	2.4
187.14828	11.6
189.12756	3.2
189.16339	3.1
193.10158	2.6
195.11723	6.5
197.13255	7.8
199.14842	8.0
211.11249	2.2
211.14835	4.9
213.16397	6.2
217.15796	2.8
230.05603	2.8
239.18015	3.4
241.19565	18.7
257.18961	7.1
259.20569	32.2
261.22064	5.9
275.20032	4.6
277.21429	2.8
291.19382	4.9
299.20255	2.9
299.23712	2.5
301.21542	3.5
311.23511	2.7
333.24307	24.1
335.25787	44.5
365.65317	2.3
367.22577	6.4
403.24548	2.5
498.98877	2.7
519.41821	5.9
537.42889	2.8
541.38666	3.6
586.45624	3.0
593.45605	9.6
601.44141	8.5
609.44897	4.2
611.46625	100.0
623.46387	3.1
669.41107	7.8
677.45349	2.5
701.47302	4.1
719.48151	3.8
755.50458	5.1
773.41895	9.6
773.51843	10.0
798.88531	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	773.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.8
55.05506	29.9
57.03434	15.4
57.07066	5.6
61.02921	14.8
65.03930	2.9
66.78428	1.7
67.05501	87.1
69.03436	11.4
69.07062	28.4
71.04987	5.3
71.08617	2.5
72.08154	3.2
73.02911	7.4
79.05486	69.2
81.03422	9.3
81.07051	92.3
83.04977	5.1
83.08618	15.0
85.02902	14.8
85.06503	5.0
89.90067	2.2
91.03966	6.1
91.05476	63.4
93.07038	81.6
94.07378	1.9
95.04961	13.0
95.08596	60.3
97.02866	11.8
97.06544	4.1
97.10175	6.3
99.08089	3.1
101.02391	3.4
105.07024	57.0
107.04953	2.8
107.08582	38.1
109.06506	8.6
109.10152	23.9
111.08061	2.5
112.80843	1.7
115.05463	3.4
117.07008	24.2
118.74645	2.2
119.08573	50.3
121.06520	2.2
121.10136	38.6
123.08060	3.5
123.11680	5.8
124.08347	1.9
125.09608	3.5
127.03912	2.3
128.06219	5.6
129.06987	19.3
130.07800	1.9
131.08560	43.7
133.10124	34.1
135.08046	4.7
135.11679	27.6
137.09575	2.1
137.13261	3.3
141.06993	4.7
142.07794	3.6
143.08528	17.3
145.10123	35.2
147.08034	3.7
147.11664	38.8
149.09613	3.6
149.13245	15.5
155.08539	8.8
157.10130	17.6
159.11690	27.9
161.09631	3.7
161.13248	30.2
163.11218	3.0
163.14813	8.5
167.08554	4.0
169.10110	9.8
171.11679	17.4
173.13231	24.9
175.11267	3.7
175.14803	14.7
179.08586	2.4
181.10139	3.7
183.11629	9.6
185.13226	16.4
187.14763	11.4
189.12753	3.5
189.16412	4.0
191.14342	2.4
193.09943	2.9
195.11647	4.9
197.13303	6.9
199.14828	9.0
201.16368	4.2
209.13243	3.5
211.14783	3.3
213.16440	5.4
215.17979	5.9
217.19536	1.9
225.16458	2.5
227.17961	3.4
231.21097	5.1
239.18011	4.7
241.19516	28.4
243.21135	5.9
257.19034	10.9
259.20514	46.3
261.22147	7.8
301.21512	4.5
325.25244	2.6
331.22464	3.1
333.24182	24.3
335.25778	71.1
343.22650	2.8
345.23886	2.0
349.21411	2.1
403.24768	2.3
441.26117	3.5
459.27563	2.8
519.41602	4.8
541.39008	4.1
593.45758	11.2
601.44934	5.5
609.45184	6.1
611.03082	2.3
611.46674	100.0
635.69019	2.1
701.47510	4.4
719.48688	2.8
737.49481	3.1
755.50293	4.4
773.43182	7.6
773.53101	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	773.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
55.05508	11.5
57.03437	3.2
57.07069	2.8
57.17941	0.9
61.02925	15.2
65.03940	1.4
67.05164	1.9
67.05503	24.8
67.05868	1.3
68.05865	1.1
69.03426	9.1
69.07067	11.1
69.50938	9.2
70.73128	1.1
71.01340	1.2
71.04989	2.5
71.08625	1.2
72.08150	4.3
73.02905	7.7
74.75795	1.3
79.05485	14.2
81.03411	7.3
81.07058	20.5
83.04989	1.9
83.08611	5.0
85.02900	12.6
87.04504	1.1
91.03958	6.3
91.05475	13.4
92.05786	1.2
93.07043	17.0
95.04981	3.9
95.08609	18.0
97.02874	10.1
97.06545	1.1
97.10162	3.1
98.20734	1.6
99.08121	1.1
101.02374	1.5
105.07024	12.6
105.07664	1.3
107.04963	1.2
107.08572	10.3
109.02892	2.4
109.10167	6.7
117.07018	7.5
119.08563	12.0
121.10135	6.7
123.08089	1.3
123.11687	1.6
127.03917	2.1
129.06990	6.8
131.08566	12.4
133.10124	7.6
135.11710	3.3
141.06995	2.4
143.08549	10.0
145.04976	1.3
145.10104	10.3
147.11679	5.7
155.08537	7.1
156.09354	2.0
157.10118	9.9
159.11685	7.7
161.13246	2.7
167.08580	2.5
169.10107	6.5
171.11713	7.6
173.13261	2.7
175.11278	1.2
175.14839	1.6
181.10094	3.0
183.11629	5.4
185.13271	4.8
187.14902	1.8
193.10281	1.1
195.11737	4.1
197.13335	4.0
199.14865	3.5
201.16418	2.6
209.13210	2.0
211.14825	3.2
213.16428	2.7
221.13422	1.7
223.14757	2.5
225.16431	2.1
229.19475	1.4
237.16405	1.5
239.17958	1.7
255.21060	1.6
265.19772	1.2
275.20172	1.6
309.22186	1.3
335.25751	1.5
339.26691	1.4
357.04022	1.3
501.40842	1.9
503.37079	1.5
519.41974	2.6
537.43030	2.8
562.41772	1.4
593.45984	5.5
609.44403	1.6
611.46655	100.0
612.46698	1.7
653.48047	1.4
719.96924	1.3
773.52246	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	773.408
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05494	4.5
57.03432	1.7
58.18072	1.1
61.02926	3.8
65.03939	1.2
67.05501	9.7
69.03427	3.2
69.07054	4.4
70.79118	1.5
70.79474	3.1
71.04978	1.3
72.08147	2.2
73.02913	3.1
79.04462	1.1
79.05499	7.9
81.03426	2.4
81.07056	9.9
83.04987	2.1
83.08607	1.8
85.02894	4.3
91.03934	1.7
91.05470	10.5
93.07046	8.4
95.04970	4.3
95.08618	6.1
97.02892	4.6
105.07032	7.2
107.04945	1.5
107.08592	4.3
109.10149	3.1
119.08578	3.9
121.10174	1.2
125.09633	1.4
129.06946	2.2
131.08620	2.3
133.10133	4.3
135.11705	2.0
145.10173	1.7
147.08018	1.3
147.11688	3.3
156.48416	1.0
157.59055	1.1
163.39706	1.2
171.11739	2.1
172.57610	1.0
193.12317	1.3
243.08475	3.2
291.19656	1.1
331.18875	2.1
387.22040	1.7
465.20987	8.8
549.26581	5.3
755.39594	1.9
773.40790	100.0
774.40796	5.4
790.08966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
55.05516	3.2
55.79594	0.4
57.03442	3.5
57.07095	0.3
61.02929	4.2
65.03912	0.6
67.05502	8.3
68.05879	0.4
69.03426	3.1
69.07074	2.0
71.01384	0.8
71.04993	1.0
72.08157	0.6
73.02914	3.4
79.05489	7.6
80.05858	0.5
81.03412	4.3
81.03854	0.5
81.07058	7.2
82.07445	0.4
83.04976	1.4
83.08629	1.4
85.02905	4.5
85.06526	1.9
91.03967	2.4
91.04483	0.4
91.05483	7.6
92.05832	0.6
93.07044	7.0
94.07383	0.5
95.04969	6.1
95.08607	3.3
96.08952	0.6
97.02885	4.5
97.06517	1.0
97.10201	0.5
98.21517	0.7
99.04447	0.4
101.02377	1.9
105.07021	5.3
107.04972	1.6
107.08584	3.2
109.02892	0.7
109.06506	3.1
109.07111	0.3
109.10156	1.6
113.05990	5.8
117.07002	1.9
119.08592	2.7
121.06570	0.4
121.10161	1.8
123.08081	0.7
123.11756	0.7
125.09690	0.4
127.03937	1.2
128.06230	0.6
129.07042	1.8
131.08592	1.8
133.10109	2.7
135.08080	1.8
135.11726	1.3
137.09657	0.6
143.08595	0.6
145.10153	1.8
147.08105	0.8
147.11694	2.7
149.09688	1.2
151.11125	0.4
157.10054	0.9
159.11690	0.7
160.15590	0.5
161.09673	0.9
161.13332	0.8
163.11269	0.6
165.08992	0.5
171.11731	1.6
173.13364	0.6
185.04303	0.5
193.12210	0.6
203.05296	0.6
211.13301	0.6
243.08443	3.5
247.13174	1.0
253.14368	0.6
254.14767	0.5
267.15930	0.5
273.18558	0.8
275.20123	0.7
281.17636	0.5
291.19629	1.2
292.20181	0.6
303.15671	0.6
331.18860	4.7
349.18765	0.9
366.23657	0.5
384.19095	0.4
387.21219	1.1
395.19025	0.5
465.20947	11.4
537.06409	0.4
549.26660	7.4
558.35382	1.3
576.36011	1.6
699.36420	0.6
773.40784	100.0
774.41162	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	772.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.9
55.05496	3.0
56.05020	1.2
57.03426	3.4
57.05833	0.6
57.07069	6.3
67.04812	1.2
67.05197	2.0
67.05500	12.5
69.07057	2.9
70.06592	3.8
71.08627	5.2
72.08146	100.0
79.05482	7.2
81.03423	1.1
81.07050	11.8
83.08614	2.7
85.06507	3.6
85.10199	2.0
90.09149	1.0
91.05459	5.6
93.07035	6.4
95.04964	10.1
95.08606	6.7
97.06508	0.7
97.10152	1.5
102.01313	0.7
104.66116	0.8
105.07014	4.8
107.04971	2.6
107.08584	3.5
108.28117	0.7
109.06513	13.0
109.10164	3.0
113.05994	11.2
113.33994	0.7
116.00957	0.6
117.07024	3.5
119.08587	2.8
120.06955	0.7
121.06547	1.4
121.10147	2.1
123.08085	0.8
129.07039	1.9
131.08572	3.5
131.75986	0.6
133.06479	0.9
133.10149	2.2
135.08034	8.2
135.11699	1.6
135.15268	0.7
143.08568	2.5
145.10133	2.1
147.08064	1.5
149.09625	1.6
149.13303	0.9
157.10176	2.5
159.08078	0.7
159.11707	1.4
161.09669	1.6
162.87726	0.7
163.11166	1.0
170.05759	10.9
173.09714	0.9
173.13283	0.8
195.13818	1.1
217.15884	3.2
255.17403	0.8
273.18402	6.4
291.19501	29.2
309.20703	1.3
313.27667	1.3
347.22293	1.6
531.40295	0.9
545.42047	2.3
585.45099	2.7
603.46094	47.5
604.45862	1.2
613.48376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.05511	2.1
57.02385	0.4
57.03436	2.4
60.57537	0.4
61.02926	5.7
67.05503	7.4
69.03424	4.3
69.07069	2.5
71.04961	1.7
72.08165	0.6
73.02911	4.2
79.05490	7.9
81.03403	3.5
81.07056	7.5
83.04971	2.3
83.08636	1.8
85.02902	5.3
91.03960	3.2
91.05479	7.1
93.07037	6.4
95.04953	2.8
95.08595	4.0
97.02892	5.3
97.06543	0.8
97.10155	0.4
99.04466	1.0
101.02377	2.0
103.03986	0.4
105.07029	6.4
107.04955	1.2
107.08588	2.6
109.02890	1.1
109.06509	1.4
109.10144	2.1
111.68521	0.4
115.03932	0.5
117.07018	0.9
119.08572	3.4
120.11167	0.4
121.06479	0.5
121.10163	0.9
123.08073	0.4
123.11705	0.5
127.03901	1.9
129.05470	0.5
129.07034	1.5
131.08577	0.8
133.06491	0.4
133.10127	3.1
135.11731	0.6
143.08562	1.2
145.06543	0.5
145.10167	1.7
147.08078	0.5
147.11679	2.8
151.11203	1.1
159.11700	0.7
161.09665	1.0
161.13271	0.7
165.24837	0.4
171.11719	1.6
178.34258	0.4
185.04230	1.0
189.12718	0.8
193.12300	1.1
203.05283	0.4
207.13805	0.6
243.08369	3.1
247.13126	1.5
303.15866	0.6
313.17816	1.3
331.18875	2.9
335.25894	0.6
355.13708	0.4
451.19440	1.4
465.20917	16.8
466.21521	0.6
518.35736	0.8
531.25769	2.1
537.22723	1.8
544.37146	0.9
549.26538	3.9
576.39954	0.5
675.33276	4.0
704.34180	0.7
755.39746	12.4
756.39636	0.6
773.40778	100.0
774.41187	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.6
55.05506	7.8
56.05023	1.3
57.03427	0.6
57.05819	0.7
57.07071	11.9
59.04999	0.3
65.03946	0.4
67.04791	1.4
67.05195	2.5
67.05495	13.1
69.03423	2.2
69.07061	14.9
70.06586	3.4
71.04984	0.4
71.08627	8.5
71.41090	0.5
72.08147	100.0
79.05488	8.6
79.70832	0.3
81.03426	1.8
81.06569	0.7
81.07046	11.6
83.04970	1.3
83.08604	5.0
85.10172	4.3
85.10640	0.4
90.09193	1.2
91.05475	5.5
93.07030	5.4
95.04947	2.2
95.08600	9.9
97.02892	2.8
97.06540	1.0
97.10155	5.3
105.03427	0.6
105.07023	3.4
107.04951	2.0
107.08579	4.1
109.06495	0.8
109.10149	5.1
115.05450	0.5
117.06993	2.1
119.08564	3.0
121.06463	0.9
121.10147	1.4
123.08074	1.1
123.11712	1.1
125.09630	3.0
128.06226	0.4
129.07024	1.1
131.08592	1.8
133.06529	0.7
133.10155	1.1
135.08070	1.3
135.11729	0.6
143.08548	0.9
145.10179	1.3
147.08029	1.6
147.11679	1.1
149.13297	1.0
157.10130	0.4
158.53493	0.3
159.11655	0.4
161.09515	0.5
163.11211	0.6
165.09070	0.5
170.05762	14.9
175.11185	0.4
177.12740	0.3
185.13210	0.4
189.11307	1.1
193.12257	0.4
195.13844	0.4
205.12265	0.7
223.13255	8.9
239.23717	0.9
273.18420	3.4
291.19498	18.1
313.27213	2.1
323.41107	0.3
347.22382	0.6
365.23279	0.7
411.87622	0.4
424.48892	0.4
585.45020	1.0
603.46124	69.5
604.46515	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	9.1
55.05301	3.0
55.05514	30.2
55.82248	2.4
57.03440	13.6
57.07083	2.6
65.03923	5.5
67.05503	84.6
69.03407	10.1
69.06780	2.5
69.07070	28.7
71.04975	8.9
71.08624	13.0
71.59152	4.2
72.08146	8.8
77.03897	2.6
78.19724	2.8
79.05490	86.0
81.03419	23.2
81.07053	87.1
83.04967	22.6
83.08617	19.4
85.02883	9.0
85.06539	4.8
91.05474	67.3
93.07037	87.4
93.07626	4.5
95.04977	24.3
95.08601	40.0
97.02885	8.3
97.06512	13.0
97.10160	8.0
99.04414	3.0
99.08095	8.4
105.07025	56.5
107.04962	12.8
107.08587	39.1
109.02858	3.3
109.06513	7.9
109.10155	19.2
111.04414	8.3
111.08051	7.1
117.07010	18.3
119.08578	32.8
121.06489	5.9
121.10157	16.1
123.08073	6.1
123.11719	2.9
125.09627	3.8
127.03893	4.6
127.07629	2.6
128.06219	4.8
129.05502	3.0
129.07004	17.2
131.08562	15.2
133.06511	3.2
133.09378	2.3
133.10133	25.6
134.96829	2.2
135.08038	4.4
135.11717	12.5
135.41589	2.7
137.09648	3.1
143.08606	12.4
145.10103	17.8
147.08104	3.4
147.11696	29.2
149.09630	7.7
149.13235	10.4
151.11189	16.3
153.12773	4.0
157.10132	5.7
159.11696	10.7
161.09587	5.0
161.13248	12.9
163.11124	14.4
171.11662	20.8
173.09663	2.5
175.11157	2.7
177.12776	3.8
179.14294	5.9
181.12241	4.7
185.13266	2.9
189.11200	2.5
189.12749	7.5
195.13782	3.4
207.13803	24.1
227.12668	11.8
249.66075	2.3
253.14375	4.7
259.20682	3.7
269.17456	15.4
275.20007	9.5
277.21490	12.5
281.17462	55.8
283.15396	6.7
291.19534	6.6
301.16412	3.6
349.23651	7.5
351.25375	15.9
435.27170	2.6
451.26828	5.4
475.30569	100.0
476.30573	5.1
525.34821	3.4
543.36676	11.0
557.38507	31.7
575.35773	8.8
619.34216	4.0
773.39624	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	772.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.9
55.05507	36.7
57.03433	17.2
57.07081	2.2
61.02915	6.8
65.03932	6.1
67.05500	87.8
69.03423	12.2
69.07062	28.7
70.85270	3.4
70.85612	4.3
71.04975	11.3
72.08155	5.8
73.02905	2.1
73.19865	2.0
78.19962	2.1
79.05486	75.0
81.02921	2.3
81.03410	78.4
81.07050	93.5
83.04973	30.6
83.08613	26.7
85.02900	28.6
85.06538	5.4
91.05475	94.7
93.07037	65.5
95.04964	45.9
95.08596	30.6
96.55772	1.8
97.02903	6.8
97.06521	14.7
97.10154	9.2
99.04433	3.2
103.05478	3.7
105.07024	86.7
107.04937	17.7
107.08588	51.1
109.02876	2.1
109.06514	11.5
109.10143	59.3
111.08069	12.6
113.06010	7.0
115.05476	2.4
117.07011	12.1
119.08571	34.8
121.06502	12.2
121.10139	22.1
123.08064	7.5
123.11679	11.3
125.05979	3.1
125.09593	4.8
127.07539	4.9
129.06998	18.1
131.08537	32.7
133.06520	10.1
133.10117	90.2
135.08043	9.8
135.11685	7.0
137.09563	4.4
141.06995	2.5
142.07730	4.0
143.08583	5.7
145.10133	11.2
147.08002	9.8
147.11682	18.4
149.09619	13.8
149.13293	2.7
151.11163	34.4
155.08612	2.2
157.10117	23.6
159.08035	4.4
159.11684	5.6
161.09637	6.6
161.13237	3.4
163.11159	6.6
165.12779	6.6
169.10081	2.5
169.12257	6.5
171.11652	4.1
173.09512	2.6
175.11177	18.1
177.09169	2.8
179.10583	2.4
187.14943	2.3
189.12752	3.1
193.12228	48.8
199.14729	2.2
211.13278	74.4
213.80266	2.0
215.12794	3.6
223.13287	3.6
227.12825	2.9
237.16565	2.1
245.19026	4.1
253.11613	4.8
253.14328	100.0
255.09752	2.1
255.17613	2.7
263.20035	5.6
267.00327	2.0
267.15845	25.8
271.15289	2.3
273.18460	28.3
275.20172	2.2
283.15344	4.6
285.16931	65.0
287.20117	2.1
291.19516	39.8
309.20294	2.6
347.22263	13.2
365.23199	38.6
445.26077	3.1
463.26926	22.8
463.87958	2.4
467.72156	2.1
481.28024	25.4
525.35522	3.8
539.33765	6.8
543.37103	11.6
557.34894	23.3
561.37750	2.9
575.35693	56.7
576.36047	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.8
55.05508	36.8
57.03437	14.0
57.07070	1.2
58.10563	1.3
59.04986	3.0
61.02909	3.9
65.03936	3.1
67.05502	43.3
69.03426	15.9
69.06711	2.4
69.07063	30.2
69.32246	11.8
71.04984	5.1
79.05491	45.4
79.76912	1.2
81.03416	51.4
81.07053	45.3
83.01355	2.3
83.04983	16.9
83.08620	24.6
83.48692	1.3
85.02898	21.6
85.06538	3.0
91.05477	43.9
93.07042	38.8
94.94128	1.5
95.04971	28.3
95.08603	18.7
97.02886	14.0
97.06551	8.1
97.10165	18.6
99.04461	1.7
99.08096	2.0
103.05447	1.6
105.07026	35.9
107.04944	12.8
107.08595	23.2
109.02903	1.6
109.06526	9.6
109.10144	10.8
111.04427	2.5
111.08064	8.8
113.41056	1.1
115.05423	2.1
117.06992	10.7
119.04942	2.1
119.08569	29.5
121.06497	5.3
121.10126	13.4
123.08080	8.2
123.08827	1.4
123.11717	2.9
125.09626	9.5
127.03846	1.7
129.06993	10.2
130.07753	1.5
131.08562	21.0
133.06485	5.2
133.10130	17.5
134.07199	1.3
135.08035	6.0
135.11687	7.4
137.09622	2.8
141.06862	1.5
142.07771	2.9
143.08542	3.6
145.10117	10.9
147.08070	7.8
147.11681	14.9
149.09601	7.9
149.13295	3.7
151.11208	2.2
153.09105	2.2
157.10130	13.0
159.11687	5.8
161.09589	2.0
161.13190	1.7
163.11186	9.5
165.12695	3.4
169.09985	1.3
171.11652	1.6
173.13211	1.3
175.11177	11.5
177.12781	2.0
189.11209	6.0
193.12247	30.0
195.13754	2.0
205.12193	1.8
211.13284	51.8
212.13641	1.8
223.13284	17.7
227.12752	10.7
249.14986	2.9
257.18951	1.9
267.15906	31.3
269.17511	3.7
273.18484	14.6
275.20068	8.6
283.15393	19.5
285.16943	47.0
291.19534	100.0
292.20032	2.1
347.22049	3.6
349.23734	6.3
365.23236	42.4
365.27972	2.0
418.63553	1.5
437.25266	1.5
459.27802	2.0
461.68240	1.2
463.26907	4.1
477.28494	19.6
495.29584	2.0
507.29852	1.4
539.33899	2.8
557.34760	41.0
558.35162	2.0
575.35773	55.4
576.36121	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	772.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	10.1
55.05259	2.0
55.05504	21.7
57.03185	1.2
57.03440	11.0
57.07049	1.7
61.02910	1.9
65.03942	1.9
67.05499	41.6
69.03412	4.7
69.07059	23.1
71.04975	4.1
71.30512	2.7
72.75205	1.1
73.02911	2.2
79.05484	48.5
81.03414	10.1
81.07047	52.4
83.04978	12.1
83.08610	15.5
85.02879	4.0
85.06554	2.0
91.05470	31.7
93.07035	65.5
95.04966	16.2
95.08597	48.5
97.02853	6.8
97.06515	14.8
97.10167	9.7
99.04444	4.8
99.08097	1.3
103.05482	1.5
105.07021	26.1
107.04943	14.2
107.08584	50.1
108.70877	1.1
109.02847	1.9
109.06532	6.7
109.10141	11.3
111.04430	2.3
111.08073	4.4
113.05961	1.2
115.05408	1.9
117.07008	19.0
119.08563	23.7
119.94230	0.9
121.06486	9.7
121.10133	20.4
123.08036	4.3
123.11684	2.4
125.05009	0.9
125.05959	4.5
125.09635	6.1
127.03880	1.6
129.06960	3.8
130.07814	2.4
131.08560	11.4
133.06483	1.7
133.10124	17.4
135.08098	5.6
135.11679	57.4
137.09618	3.3
139.07535	3.0
141.06944	1.6
143.08572	5.0
145.10107	42.7
147.08011	1.2
147.11679	8.6
149.09633	9.6
149.13263	5.6
151.11156	1.8
153.09056	1.2
155.08554	1.5
156.76265	0.9
157.10130	4.8
159.11633	8.0
161.09584	1.2
161.13264	3.0
163.11160	68.5
169.10168	2.0
171.11557	2.0
173.09560	2.1
173.13225	3.9
175.11160	2.4
177.12724	3.0
179.14317	1.9
181.12202	12.8
183.11676	1.3
187.11130	2.3
189.11201	2.5
191.10545	1.3
193.12248	1.3
195.13773	3.0
209.11755	2.2
211.13249	1.1
215.14357	1.3
227.12755	100.0
229.14267	2.0
229.19493	2.2
239.18002	3.1
253.14255	2.2
255.15846	6.2
257.18991	9.1
267.15897	4.7
269.10565	1.0
269.17435	15.5
275.20032	25.6
283.15356	63.1
284.15845	1.7
285.17090	2.7
291.19534	4.6
293.21130	3.8
331.22699	2.5
349.23685	37.2
365.23196	1.5
367.24710	3.3
437.25125	2.5
453.24661	2.5
461.28760	2.5
463.26855	16.1
475.28638	1.0
477.28430	57.0
517.31610	1.4
539.33630	1.8
557.34662	50.2
558.34509	1.9
575.35919	8.8
682.86438	1.3
800.14825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	11.7
55.05257	2.8
55.05506	34.4
57.03180	1.9
57.03435	18.5
57.07061	4.3
57.65462	1.5
59.04982	2.6
59.21970	1.5
61.02907	3.2
62.08827	1.4
65.03919	5.8
67.05499	79.4
69.03428	11.1
69.06718	2.6
69.07065	24.1
69.52250	12.2
71.04977	10.4
72.08132	4.1
77.03942	1.7
79.05487	66.0
81.03410	60.5
81.07049	100.0
83.01330	2.3
83.04980	27.3
83.08615	28.5
85.02891	19.6
85.06529	7.7
91.05470	81.8
93.07034	69.2
95.04964	30.8
95.08597	34.9
97.02879	9.3
97.06529	16.4
97.10136	9.7
98.20694	3.1
99.04453	3.6
99.08100	5.0
105.07020	63.6
107.04953	16.8
107.08583	40.8
109.02892	2.5
109.06512	12.2
109.10141	41.0
111.04423	2.6
111.08094	11.9
111.08825	2.0
113.06023	4.5
115.05436	1.8
117.07014	14.2
119.08566	34.6
121.06490	13.8
121.10129	23.3
123.04407	1.8
123.08034	11.5
123.11707	8.9
125.09624	6.4
127.07571	2.1
128.06253	2.5
129.05495	2.3
129.06996	18.4
131.08546	29.4
133.06499	10.2
133.10118	63.9
135.08049	12.8
135.11679	14.3
137.09579	5.8
139.07512	2.0
142.07797	2.0
142.97868	1.5
143.08578	8.2
145.06462	2.9
145.10098	16.5
147.08011	8.0
147.11664	19.8
149.09618	16.2
149.13242	6.0
151.11172	23.1
153.09161	1.9
155.08620	2.0
157.10127	14.6
159.07991	5.0
159.11662	7.9
161.09624	8.2
161.13234	4.1
163.07423	1.8
163.11160	18.2
165.09171	1.8
165.12737	3.9
169.12189	4.6
171.11629	2.5
173.09555	3.7
173.13268	3.1
175.11205	15.3
177.09071	2.8
177.12570	1.9
189.11203	2.3
189.12717	2.6
191.10715	1.9
193.12244	40.3
195.13799	3.8
197.13213	2.2
209.11630	2.3
211.13266	50.3
215.12706	2.9
227.12711	6.2
237.16589	1.7
245.19087	5.2
249.14864	1.9
253.14339	44.6
255.15608	2.6
257.18942	2.5
261.18588	1.7
263.19928	3.5
267.15897	22.8
269.17413	15.8
271.15350	4.2
273.18497	27.8
275.20187	10.2
283.15350	25.7
285.14035	2.6
285.16971	43.7
289.18112	3.4
291.19485	33.6
291.22482	3.2
309.20728	2.5
340.64340	1.7
347.22159	13.2
349.23734	6.7
365.23190	34.3
445.25793	4.0
463.26819	27.2
477.28458	32.6
481.27835	15.0
520.79968	1.8
522.16864	1.6
539.33643	7.4
557.34674	40.9
575.35699	61.4
706.91754	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	772.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.7
55.05510	45.0
56.96540	2.5
57.03438	25.3
59.05000	32.6
61.02926	2.9
65.03938	2.8
67.05505	93.3
69.03429	11.0
69.07063	16.9
71.04990	23.4
79.05495	45.8
80.59698	2.2
81.03413	100.0
81.07051	52.2
83.04980	22.6
83.08620	33.2
85.02905	9.9
85.06537	7.1
87.04466	30.8
91.05473	54.3
93.07040	45.7
93.39790	2.7
95.01349	2.3
95.04968	40.6
95.08617	20.7
95.30492	2.2
97.02892	9.7
97.06521	10.5
97.10169	21.5
99.04435	14.0
99.08096	3.4
103.05458	2.9
105.07021	31.6
107.04968	17.8
107.08574	26.5
109.02869	3.5
109.06508	9.4
109.10155	48.8
111.04456	10.6
111.08102	16.9
115.05408	3.1
117.07004	12.3
119.04952	4.3
119.08587	28.0
121.02872	3.5
121.06490	10.8
121.10139	26.0
123.04438	10.6
123.08066	5.8
125.06036	3.0
125.08872	2.4
125.09626	14.8
129.07011	22.2
131.04900	4.0
131.08566	24.5
133.06531	7.2
133.10133	19.5
135.04427	8.0
135.08051	6.6
135.11696	9.2
137.06017	5.7
137.09583	3.8
142.07768	3.4
143.08539	2.8
145.06490	3.9
145.10112	12.5
147.08047	8.5
147.11681	16.9
149.05962	3.4
149.09630	22.5
151.11188	4.0
153.09100	7.3
153.12735	9.0
155.08524	3.5
157.10136	21.2
159.08104	3.2
159.11752	4.3
161.06003	3.0
161.09622	3.8
163.11148	14.6
165.12718	3.3
167.10638	3.8
169.10147	3.8
171.11641	2.8
173.09605	4.9
173.11687	12.1
175.07596	2.9
175.11186	18.5
181.12253	10.4
181.51941	2.2
183.11667	2.8
185.13284	4.4
189.11234	8.8
189.12747	3.9
191.10637	6.6
193.12222	57.4
193.13831	4.0
197.15329	2.2
199.13286	8.5
201.12854	4.6
205.12274	4.7
207.13898	3.4
209.11691	12.7
211.13272	48.6
219.13869	3.6
223.13434	3.5
225.14803	15.8
227.12764	17.7
229.14293	35.0
231.13739	6.4
235.13211	4.0
241.14421	3.4
247.13303	8.2
249.14815	13.4
263.16254	2.3
267.09280	2.8
267.15909	65.9
283.15311	14.0
289.14301	3.0
315.18277	3.1
355.22690	5.8
365.21265	8.3
373.23727	5.1
383.22150	28.2
401.23257	23.3
403.25208	3.7
415.24738	5.4
421.25888	26.3
433.25839	6.2
457.25888	6.7
475.27020	21.9
493.28061	7.3
507.29434	17.3
525.30481	8.0
699.98572	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	772.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	11.0
55.05508	37.7
57.03436	23.8
57.07066	3.7
59.04993	22.9
61.02905	2.9
65.03947	4.1
67.05503	86.5
69.03425	7.1
69.07059	11.6
70.28357	8.2
71.05003	16.8
72.08145	3.0
79.05051	3.9
79.05493	48.6
81.03413	100.0
81.07056	47.0
83.04984	19.2
83.08613	29.3
85.02897	8.5
85.06509	5.3
87.04472	24.9
91.05477	43.8
93.07037	36.0
95.04968	41.2
95.08602	22.9
97.02890	7.5
97.06528	9.8
97.10149	12.4
99.04451	11.9
105.07043	32.8
105.07690	4.2
107.04954	17.9
107.08604	21.1
109.02898	5.1
109.06509	12.0
109.09418	1.8
109.10154	50.5
111.04427	9.6
111.08080	10.5
115.05452	3.8
117.07019	12.0
119.04907	3.1
119.08565	23.4
121.02892	4.6
121.06535	13.2
121.10104	20.5
123.04431	6.3
123.08096	5.3
125.05951	2.7
125.09645	13.0
129.06999	16.1
131.04918	3.0
131.08551	21.9
133.06467	5.8
133.10133	14.0
135.04419	6.4
135.08063	5.0
135.11662	6.1
137.05989	4.7
137.09627	3.0
142.07814	2.9
143.08554	4.8
145.06505	5.2
145.10118	10.8
147.04381	7.4
147.08054	5.5
147.11685	13.6
149.06007	2.7
149.09607	18.5
153.01781	3.4
153.09132	2.7
153.12753	7.5
155.08548	3.7
155.10660	3.1
157.10088	15.6
161.05943	4.9
161.09610	3.0
163.11205	12.9
165.12735	3.6
167.10681	2.4
173.06030	2.6
173.09589	4.1
173.11751	10.2
175.11180	15.4
181.12251	5.2
183.11702	2.7
187.11221	2.7
189.11247	7.8
191.10658	4.7
193.12230	46.3
193.70016	2.6
199.13310	5.8
203.14249	3.4
207.13666	2.9
209.11707	12.0
210.57484	2.5
211.13257	31.0
217.12160	2.4
223.13329	3.3
225.14876	11.2
227.12813	10.5
229.14395	30.9
231.13812	5.5
235.13280	5.1
247.13292	9.3
249.14893	12.7
267.13007	2.9
267.15915	58.9
273.14709	3.2
283.15402	10.0
337.21640	5.0
355.22641	7.8
365.21106	11.4
373.23743	4.2
383.22205	16.4
391.24957	2.4
401.23187	14.7
403.24396	2.9
407.20258	2.7
415.24799	5.0
421.25644	20.8
433.25610	6.2
457.25665	5.9
475.26987	18.3
489.27948	3.4
490.69507	2.5
491.59616	2.4
493.28030	2.9
507.29294	8.7
525.30731	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	771.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01790	1.6
55.05430	9.1
55.05731	1.6
57.03353	3.7
57.03658	0.6
57.06997	1.7
61.02838	14.2
61.03185	2.1
63.35649	0.4
65.03880	0.9
65.04194	0.4
67.05412	19.2
67.05811	2.4
69.03333	7.6
69.06973	10.1
71.01266	1.2
71.01617	0.4
71.04896	1.6
71.08572	0.6
73.02821	8.1
73.03263	0.6
79.05390	14.6
79.05890	1.5
81.03313	4.0
81.06954	18.1
81.07480	1.7
83.04877	1.3
83.08518	4.7
83.09051	0.9
85.02800	11.2
85.03351	0.9
85.06456	1.2
87.04385	0.7
90.00948	0.4
91.03846	7.0
91.05373	12.7
91.05997	0.8
93.06936	17.3
93.07585	1.1
95.04858	3.0
95.08495	15.6
95.09144	1.2
97.02885	10.9
97.06420	1.8
97.10052	2.9
98.21546	0.7
99.04344	1.2
99.08012	0.5
101.02365	2.0
103.05381	0.5
105.07026	13.5
105.07669	0.7
107.04942	2.1
107.08588	10.9
109.02776	0.9
109.06400	1.7
109.10152	7.5
111.04372	0.4
111.07969	1.4
111.11656	0.5
115.03859	0.8
115.05328	1.3
117.07008	7.4
119.08577	13.3
119.09343	0.6
119.81536	0.4
121.06443	0.6
121.10145	7.5
121.10946	0.5
123.07963	1.3
123.11573	1.8
125.05816	0.4
125.09524	1.7
127.03899	2.7
128.06186	2.6
129.05449	0.7
129.06999	10.0
130.07707	0.8
131.08563	12.3
133.06406	0.6
133.10120	9.7
135.07903	1.2
135.11688	4.3
137.13089	0.8
139.11102	0.4
141.06981	5.1
142.07759	2.7
143.08562	11.8
144.08902	0.5
145.10118	11.3
147.11673	5.1
149.09508	1.0
149.13112	1.7
151.11180	0.6
153.06850	1.4
154.07634	1.2
155.08543	10.9
156.09177	1.8
157.10129	12.9
158.10788	0.5
159.07974	0.6
159.11687	8.1
161.09505	0.5
161.13235	3.6
163.11124	0.6
163.14716	0.9
165.06874	1.7
165.12730	0.5
166.07698	0.7
167.08556	5.5
168.09248	1.0
169.10135	13.2
170.10841	0.8
171.07925	0.6
171.11688	9.6
173.09552	0.6
173.13252	5.6
175.14685	1.7
177.16302	0.5
178.07692	0.9
179.08545	2.4
180.09279	1.2
181.08731	0.6
181.10103	7.6
182.10782	1.1
183.11694	13.3
184.12234	0.7
185.13255	7.7
186.13556	0.6
187.11093	0.6
187.14835	3.7
189.16266	1.4
191.08548	0.6
193.10107	3.0
194.10747	1.2
195.11694	7.3
196.12303	0.7
197.13254	9.1
198.13773	0.5
199.11174	0.5
199.14864	5.2
201.16225	1.6
203.17828	0.4
205.10045	1.0
206.10872	0.6
207.11726	3.0
208.12401	0.6
209.13226	7.6
210.13824	0.6
211.13057	0.5
211.14795	6.9
213.14650	0.4
213.16438	4.0
215.17825	0.9
217.19739	0.4
219.11620	0.9
220.12244	0.6
221.13312	3.5
222.13850	0.7
223.14838	5.0
224.15215	0.5
225.16383	3.5
227.18063	2.5
229.19255	0.6
233.13148	1.4
235.14871	3.0
235.16809	0.7
237.16360	3.6
239.17986	2.6
241.19412	1.6
243.20938	0.5
247.14780	0.8
247.20352	0.5
249.16286	1.2
251.17928	2.0
253.19411	1.2
255.21074	0.7
257.18942	0.7
259.14755	0.5
259.20508	0.8
261.16315	0.8
261.22217	0.6
263.17838	1.4
265.19363	1.4
267.20865	0.8
271.20599	0.7
275.17587	0.5
277.19333	1.1
279.21149	0.7
281.22598	0.7
289.19461	0.9
293.22449	0.7
295.20325	0.7
297.21906	0.9
299.20126	0.8
307.20279	0.7
307.23907	0.5
309.22141	0.5
311.19855	0.5
311.23581	0.8
319.24191	0.5
321.21942	1.0
323.23380	0.5
325.21576	0.5
325.25223	0.9
335.23413	0.9
337.24991	1.3
339.26764	0.8
347.23517	1.1
349.25241	1.0
351.26620	1.0
353.24597	0.5
355.26544	0.6
363.26755	1.2
365.28302	1.4
367.26099	0.7
369.27756	0.5
377.28250	1.1
379.26050	0.5
379.30322	0.5
381.27408	0.5
383.29465	0.5
389.28183	0.5
391.30060	0.9
405.31772	0.6
407.29196	0.9
409.30856	0.7
423.32944	0.5
433.30579	0.6
435.32443	0.7
443.32388	0.5
447.32629	1.2
449.34274	0.7
453.34039	0.4
459.31696	0.6
461.33807	1.2
465.33914	0.7
467.34940	0.5
473.32666	0.6
475.34811	0.7
487.34482	0.6
499.39838	0.7
501.35831	0.8
509.36475	0.6
513.36035	0.7
515.37701	1.2
517.40430	6.5
525.35840	0.7
527.37579	0.9
535.41760	3.3
539.37427	1.8
541.39276	1.2
553.40863	0.6
555.41663	0.5
567.40753	1.1
573.43091	1.4
591.44031	6.6
607.43286	2.5
608.44403	0.5
609.45105	100.0
610.45520	4.6
621.45172	1.8
633.45544	1.0
651.46222	1.2
675.45734	0.7
692.05121	0.6
699.45941	1.0
706.57074	0.4
717.47192	1.3
735.48401	1.5
753.49243	1.8
771.50421	17.9
772.50732	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05254	1.1
55.05510	12.1
57.03441	4.8
57.07085	1.5
61.02926	19.3
65.03934	0.8
67.05502	21.0
69.03426	8.7
69.07064	10.3
70.27701	3.3
71.01347	1.0
71.04984	1.0
71.69392	0.8
73.02911	7.6
77.03901	0.8
79.05492	14.7
81.03402	3.0
81.07056	20.2
83.04967	1.3
83.08620	6.2
85.02410	1.3
85.02900	13.6
85.06541	1.4
91.03951	7.7
91.05486	12.3
93.07037	14.2
95.04958	3.0
95.08607	17.7
97.02894	9.4
97.06535	2.3
97.10166	4.4
98.37956	0.7
98.38625	0.8
99.04438	1.4
101.02367	2.7
105.07027	12.6
107.07938	1.1
107.08593	10.0
109.02872	1.1
109.06537	1.2
109.10159	8.0
111.08073	0.8
115.05421	1.2
117.07018	8.4
119.08589	11.5
121.10138	6.2
123.11699	2.9
127.03930	2.4
128.06224	2.0
129.06998	7.9
130.07777	0.8
131.08572	11.9
133.10129	8.0
135.08083	0.8
135.11658	3.7
141.07001	3.9
142.07776	3.1
143.08540	11.3
145.04900	1.0
145.10117	10.9
147.11662	5.4
148.34480	1.0
149.13237	2.4
153.06993	1.9
154.07784	1.4
155.08540	11.1
156.09277	1.3
157.10126	9.8
159.11678	7.4
161.13284	2.3
163.14828	1.1
165.06929	0.8
167.08527	4.3
169.10149	11.4
171.11703	10.1
172.12386	1.2
173.13263	4.6
175.14755	1.8
179.08488	1.5
180.09422	0.8
181.10107	7.7
182.10818	0.9
183.11707	10.9
184.12408	0.9
185.13222	7.2
187.14828	3.3
189.16464	1.3
193.10147	1.2
195.11691	6.3
197.13242	9.5
199.11142	1.0
199.14827	5.5
207.11771	3.7
208.12593	0.9
209.13272	5.8
211.14816	5.8
213.16342	2.3
219.11676	1.2
221.13274	2.6
223.14809	4.6
225.16295	3.8
227.17946	1.5
235.14851	2.3
237.16460	2.5
239.17987	3.3
241.19592	0.9
247.14853	1.0
249.16420	1.8
251.18034	2.1
252.75403	0.8
253.19521	1.5
259.20618	0.9
261.16580	0.9
263.17920	1.7
265.19727	0.8
275.20087	0.9
283.20786	1.0
285.39087	0.7
292.07553	0.8
299.19992	0.9
305.22607	0.9
311.23593	0.9
321.22382	0.9
323.23520	1.3
325.21802	0.8
325.25372	1.1
335.23685	0.9
337.25381	0.9
351.27094	0.8
449.33493	1.0
461.33228	0.9
473.32663	0.9
475.35666	0.7
501.35379	1.0
515.37726	1.2
517.40485	6.6
521.35999	1.1
523.37183	0.8
527.36401	1.0
535.41174	2.7
539.37360	2.7
591.44110	7.1
607.43701	1.7
609.45111	100.0
610.45367	5.3
611.46515	1.1
701.43390	0.8
735.48792	1.0
753.49261	1.8
771.50354	18.9
772.51666	0.9
791.35461	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85987	1.8
55.05504	3.0
57.03419	7.7
57.07070	10.2
59.76637	2.1
63.95691	1.8
67.05487	10.5
69.07057	2.7
71.08604	7.4
71.60131	2.9
72.08150	100.0
79.05467	5.4
81.07050	10.6
83.04954	7.0
83.08611	3.1
85.10160	4.8
89.82673	1.9
91.05477	3.4
93.07037	6.8
95.04938	3.1
95.08594	9.0
97.10171	3.0
99.04464	1.9
105.07039	2.9
107.04964	12.0
107.08588	4.0
109.10120	3.1
111.04433	5.7
119.08512	4.3
121.10139	2.0
129.06873	2.4
131.08568	5.1
133.06497	2.1
144.69975	1.9
145.10049	2.6
147.08049	2.2
151.07359	2.3
155.08572	2.5
157.10017	1.9
159.08188	2.9
161.09627	2.2
170.05783	19.9
222.71657	2.1
233.15331	5.5
261.18579	3.3
271.16980	2.9
289.17953	15.9
416.16559	2.2
601.44598	99.8
602.44745	5.0
670.67096	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	770.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.0
55.05507	16.4
57.03428	7.6
57.07052	1.5
61.49760	0.9
62.98074	0.8
65.03925	2.6
67.05497	54.1
69.03412	2.7
69.07061	16.4
69.34514	5.4
69.34943	3.4
71.04975	2.9
72.08160	1.3
74.11932	0.8
77.03931	0.9
79.05486	57.5
81.03423	8.0
81.07051	52.1
83.04976	11.9
83.08624	7.2
85.02885	3.0
85.06533	3.3
85.52961	0.8
86.72422	0.8
91.03984	1.1
91.04897	1.8
91.05470	44.8
93.07034	61.8
93.45332	1.0
95.04955	17.5
95.08596	22.6
97.02882	2.8
97.06527	9.8
97.10169	4.7
99.04420	1.4
99.08089	2.4
103.05472	1.2
105.04501	2.1
105.07018	34.0
107.04938	8.4
107.08582	24.2
109.02863	1.8
109.06522	5.8
109.10168	7.4
111.08076	2.7
113.05965	1.0
115.05447	1.7
117.07005	10.3
118.12259	0.9
119.07798	1.4
119.08579	23.5
121.06468	4.7
121.10123	7.9
123.08052	4.4
123.11699	1.6
125.09659	2.2
127.03835	1.3
128.06201	2.2
129.06987	10.8
131.08559	9.6
133.06488	1.4
133.10104	14.6
135.08035	2.5
135.11647	9.0
141.07031	1.4
142.07730	1.3
143.08539	7.0
145.06508	0.9
145.10097	11.2
147.07979	1.5
147.11679	25.5
149.09654	4.4
149.13249	6.2
151.11198	1.2
155.08517	2.0
157.10088	2.7
159.11671	7.2
161.09607	2.3
161.13266	8.2
163.11156	3.9
165.12744	0.9
169.10172	2.0
171.11678	18.0
173.04446	2.1
173.13164	1.6
177.12762	3.0
189.12711	7.2
192.16457	1.0
195.13818	2.9
196.29514	0.9
207.13789	17.5
213.14684	1.1
222.12225	1.0
225.14809	2.4
227.12813	1.5
239.17838	1.4
247.20732	1.0
251.16272	1.3
253.14137	1.2
255.15862	4.1
257.18951	2.9
269.17371	14.7
275.20029	12.6
281.17453	48.0
282.17825	1.3
293.21054	1.3
349.23703	8.9
367.24936	2.5
430.16055	1.0
435.27472	1.8
457.29208	1.3
461.28925	19.5
475.30508	100.0
476.30695	2.1
537.35803	1.7
555.36792	17.4
573.37738	5.5
619.34265	2.5
771.38879	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	10.2
55.05509	23.5
57.03432	9.1
57.07077	1.9
58.15650	1.4
65.03908	3.3
67.05500	69.6
69.03416	6.5
69.07061	24.4
71.04977	3.9
73.06538	3.4
77.03910	1.8
79.05486	90.9
81.03411	12.3
81.07050	76.2
83.04971	15.0
83.08619	13.6
85.02903	3.5
85.06538	4.5
91.05476	69.3
93.07034	86.3
95.04962	26.7
95.08598	36.6
97.02899	5.2
97.06512	16.8
97.10135	7.8
99.08051	3.1
105.04497	2.6
105.07024	55.0
107.04935	12.3
107.08591	36.2
109.02837	1.7
109.06524	8.0
109.10175	10.1
111.08057	4.1
112.33180	1.7
113.09661	1.5
117.07014	16.5
118.02348	1.5
119.07791	2.6
119.08580	35.4
121.06510	4.2
121.10106	15.9
123.08047	6.5
125.09563	4.7
127.03906	2.7
129.07010	16.4
131.08554	16.6
133.10114	24.4
135.08057	3.9
135.11684	11.1
137.09622	2.1
143.08540	11.8
143.09509	1.8
145.06357	1.8
145.10097	22.8
147.08058	3.3
147.11681	36.1
149.09607	10.3
149.13205	7.8
151.11176	2.3
157.10101	3.0
159.11710	8.5
161.09633	4.9
161.13220	16.2
163.11166	8.7
165.04868	2.0
165.12694	2.2
169.10036	2.5
171.08008	1.8
171.11670	26.6
173.04417	2.8
173.09596	2.0
173.13257	2.7
175.11238	2.1
177.12767	3.8
179.14323	1.7
187.14702	2.2
189.11180	3.3
189.12657	11.3
195.13782	2.0
207.13792	29.0
225.14946	2.6
227.12698	11.2
229.19569	2.1
239.18042	2.4
255.15952	6.7
257.19040	8.2
263.16119	1.9
269.17419	14.8
275.20029	29.7
281.17435	68.4
293.21051	2.0
349.23697	20.8
365.29184	1.8
367.24448	2.7
435.27261	4.0
451.26978	3.4
461.28973	26.6
475.30518	100.0
476.30692	2.9
527.36865	2.0
555.36725	45.2
573.37445	6.8
619.34772	2.8
711.52710	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	770.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.0
55.05513	23.0
57.03442	6.4
57.07084	1.4
64.66103	1.1
64.77165	1.2
65.03931	4.0
67.05504	48.1
69.03439	2.9
69.07063	19.3
70.09831	3.5
70.10262	3.4
71.04977	2.5
72.08154	2.6
73.02943	1.2
73.06574	1.7
77.03933	1.7
79.05494	59.4
81.03417	7.8
81.07058	86.9
83.04981	11.4
83.08620	13.4
85.02889	1.9
85.06546	4.1
91.04895	1.4
91.05478	49.7
93.07045	55.2
95.04968	20.0
95.08607	29.9
95.09224	1.3
96.09035	1.3
97.02895	1.9
97.06515	8.8
97.10186	2.9
99.08070	2.1
100.50108	1.5
100.62616	1.3
105.04536	1.3
105.07030	41.4
107.04956	11.8
107.08588	19.9
109.06519	25.0
109.10151	8.4
111.08089	5.5
115.05439	1.7
117.06989	9.3
119.07780	2.3
119.08581	28.3
121.06496	5.0
121.10153	11.4
123.08059	7.3
123.11718	4.9
128.06223	1.4
129.07010	11.7
131.08563	12.5
133.06483	2.1
133.10132	16.9
133.32515	1.2
135.08054	4.4
135.11688	5.5
137.09630	3.9
141.06950	1.5
142.07851	1.4
143.08546	6.5
145.06483	1.7
145.10123	14.1
147.08046	2.3
147.11690	34.2
147.12782	2.5
149.09659	5.3
149.13251	5.0
157.10107	3.6
159.11652	6.8
161.09634	5.0
161.13283	8.7
163.11195	7.0
163.14870	1.9
165.12794	3.9
167.08446	1.1
169.10147	2.9
171.11691	17.5
173.13274	3.2
175.11172	1.6
175.14781	1.7
177.12714	2.4
187.11232	1.6
187.14754	1.4
189.12772	6.6
197.13199	1.4
207.13795	15.4
226.08070	1.3
227.12636	1.5
229.14262	2.0
229.19522	1.9
247.20613	3.0
257.19000	5.1
267.16058	1.3
275.20062	49.7
281.17468	66.0
293.21008	9.3
349.23712	27.7
367.24829	19.2
412.78702	1.3
537.35480	3.6
555.36829	100.0
573.37848	68.9
574.37744	2.0
590.40179	1.6
781.97675	1.5
796.57861	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.6
55.05253	2.4
55.05505	29.2
57.03431	13.8
57.07062	2.8
61.02917	3.3
65.03928	4.4
67.05497	81.3
69.03416	6.7
69.07064	26.7
71.01335	1.6
71.04987	6.9
72.08149	4.9
73.02903	1.6
73.06548	2.3
77.03896	1.6
79.05486	100.0
81.03414	19.1
81.07049	83.7
82.07420	1.3
83.04982	19.8
83.08617	15.6
83.93076	1.2
85.02900	4.8
85.06520	5.3
90.48680	1.2
91.03949	2.3
91.05473	82.2
93.07034	94.7
94.07369	1.2
95.04961	28.6
95.08598	42.1
96.05311	1.5
97.02844	6.4
97.06529	13.3
97.10143	8.7
99.08083	2.8
103.05448	1.5
105.04521	2.6
105.07021	66.0
107.04945	14.6
107.08575	36.7
109.02864	1.7
109.06496	10.7
109.10154	13.9
111.04446	2.7
111.08080	5.3
113.09687	1.5
115.05460	2.6
117.07008	24.2
119.08568	43.0
121.06496	5.6
121.10126	15.4
123.08042	8.9
123.11707	2.0
125.09634	5.2
127.03907	1.8
127.07558	1.4
128.06194	3.4
129.06990	22.4
131.08546	18.0
133.06506	1.9
133.10110	27.7
135.08052	5.7
135.11665	14.1
137.09668	2.7
141.06941	2.1
143.08540	13.3
145.06558	1.7
145.10115	25.2
147.08058	3.8
147.11671	41.0
149.09619	8.7
149.13284	7.1
151.11165	3.0
151.90041	1.4
156.09349	1.5
156.46153	1.5
157.10146	6.8
157.11328	1.4
159.11700	11.8
161.09628	5.1
161.13228	12.9
163.11169	7.9
165.12782	1.3
169.10147	4.2
171.11678	29.0
173.13242	6.3
175.11201	2.7
177.12718	2.8
179.14331	2.0
183.11577	2.4
185.13286	2.7
187.11308	1.7
189.11247	2.1
189.12700	10.2
195.11749	2.2
195.13603	1.8
197.13269	2.4
199.14839	2.0
207.13768	24.4
217.15800	1.7
223.13239	1.6
225.14859	3.1
227.12755	6.3
229.19490	3.0
234.61661	1.3
235.17043	1.5
239.17915	3.8
247.20584	2.4
251.29199	1.3
255.15794	7.3
257.19003	12.3
263.16257	1.6
267.15903	3.0
269.17432	17.3
275.20041	31.0
279.15848	2.5
281.17435	76.2
283.15372	2.7
291.19611	6.1
293.21051	3.1
331.22644	2.8
349.23676	19.6
365.23569	2.4
367.24820	2.5
435.27484	3.4
451.26877	3.7
459.30588	2.3
461.28928	29.5
475.30499	72.6
497.32858	2.8
515.33673	2.9
537.35754	1.7
541.35266	2.1
555.36761	38.1
573.38373	7.4
608.43927	4.4
770.48303	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	769.4876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	8.7
55.05257	2.6
55.05508	37.5
57.03437	18.3
57.06606	1.8
57.07085	3.4
59.18384	1.6
61.02924	17.5
65.03937	6.4
66.57545	1.9
67.05502	79.3
69.03427	36.5
69.07066	33.6
71.01366	2.3
71.04996	9.1
71.51474	2.6
72.08121	2.8
73.02908	10.7
75.45000	1.6
77.03912	2.3
79.05488	65.3
81.03414	50.2
81.07053	68.9
83.04984	14.0
83.08602	16.6
85.02904	19.6
85.06550	5.1
87.04457	2.1
91.03958	8.5
91.05477	66.1
93.07046	57.3
94.06696	1.5
95.04969	17.6
95.08603	56.8
97.02892	27.3
97.06548	11.0
97.10167	8.3
99.04459	5.6
99.08135	2.6
101.02367	3.1
103.05467	3.9
104.06300	1.8
105.07027	58.5
105.17519	2.2
106.07344	1.8
106.48534	1.8
107.04974	10.1
107.07880	2.6
107.08588	40.3
109.02889	9.3
109.06524	8.1
109.10159	23.1
111.04465	6.5
111.08091	7.9
115.05456	5.7
117.07008	31.5
119.08575	38.6
121.06505	5.9
121.10122	23.4
123.04411	2.1
123.08093	7.3
123.11710	5.2
125.09641	7.6
127.03909	11.0
128.06223	7.3
129.05499	3.9
129.07008	25.4
131.04926	2.5
131.08560	43.7
133.06482	5.5
133.10124	32.4
135.04407	1.7
135.08051	7.4
135.11679	10.1
137.09631	4.1
141.07005	13.6
142.07771	6.1
143.08560	25.6
145.06490	4.9
145.10103	36.6
147.08049	5.4
147.11699	21.2
149.02322	11.6
149.09615	7.4
149.13287	9.1
151.07637	2.3
153.06996	2.4
154.07800	6.1
155.08557	18.7
156.09389	3.3
157.06503	1.9
157.10115	25.7
159.08084	5.5
159.11693	24.8
160.63179	1.8
161.09560	3.5
161.13307	7.4
163.11212	4.1
165.06973	4.2
166.07744	4.4
167.08586	13.3
168.09355	5.2
169.10106	25.0
171.08057	4.4
171.11659	21.8
173.04445	11.9
173.09721	4.6
173.13242	13.0
175.11186	4.1
175.14836	3.5
177.09190	2.2
177.12630	3.6
178.03346	1.7
179.08502	11.8
180.09343	4.0
181.10110	19.2
182.10976	1.9
183.11673	22.5
185.09642	4.7
185.13240	13.9
187.11134	3.7
187.14801	6.4
189.11197	2.5
189.12752	3.5
191.08487	3.1
193.04982	12.6
193.10129	12.7
193.11873	2.1
194.10881	2.9
195.11676	16.9
196.12405	2.2
197.13246	17.4
199.11163	3.4
199.14807	6.6
201.12700	3.1
201.16431	3.8
205.10181	3.5
207.11740	11.1
209.13274	15.7
211.11128	3.1
211.14766	8.6
213.12878	2.1
213.16444	3.6
219.11717	5.9
221.13217	9.4
222.14078	1.8
223.14809	11.9
225.16333	7.9
227.18088	3.7
227.20103	6.9
229.19525	1.9
233.13287	4.8
235.14795	5.8
237.12735	2.8
237.16370	7.7
239.18042	4.5
241.19684	2.3
247.14888	3.8
249.16457	4.4
251.18143	3.6
257.19080	5.6
259.20538	4.5
261.16339	2.6
263.17960	4.4
265.19666	3.3
267.17316	1.9
273.18610	4.9
275.20102	17.2
276.20490	1.8
283.20355	2.3
295.20453	2.2
299.20145	3.0
301.21747	3.4
307.20572	2.6
313.21582	2.9
325.21671	4.1
333.24429	4.1
335.23599	1.9
339.23221	4.0
349.24304	2.6
351.23010	2.2
355.22324	2.1
363.26706	3.4
367.22470	3.8
369.23947	2.0
385.24042	2.1
459.32758	2.1
513.35480	6.0
515.38782	5.8
525.36017	3.0
525.79193	2.4
527.37451	2.2
533.39423	5.4
537.35474	3.5
538.36627	3.3
539.36926	3.1
547.15173	1.9
581.39984	2.0
589.42236	4.9
592.44812	2.9
605.42151	3.5
607.43536	100.0
608.43774	3.8
611.46570	2.4
625.44684	4.1
649.44855	3.2
671.41223	3.2
685.44617	2.2
715.45990	3.1
733.46320	4.8
751.47253	8.0
769.17889	2.9
769.48950	52.5
770.48602	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	769.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33788	0.8
55.01868	2.2
55.05506	12.7
57.03420	4.1
57.07069	8.4
59.04977	1.7
61.02912	4.0
65.03911	1.6
67.05165	1.4
67.05504	21.8
69.03117	1.1
69.03430	11.7
69.07066	11.3
69.37679	3.5
69.38101	4.6
71.01331	1.0
71.04981	2.1
71.08631	4.7
72.08157	6.6
73.02934	4.7
76.70847	0.8
77.03900	1.0
79.05489	16.6
81.03051	1.0
81.03419	10.8
81.07056	25.9
83.01344	1.1
83.04994	6.4
83.08611	6.4
85.02905	7.5
85.06535	1.4
85.10178	2.2
87.04464	5.3
88.04019	0.8
89.06033	9.4
91.03936	2.3
91.05479	17.2
91.69946	0.9
93.07043	17.8
95.04955	5.3
95.08064	1.1
95.08611	17.9
97.02895	6.6
97.06528	3.3
97.10178	2.7
99.04450	8.6
99.08101	1.4
101.02333	1.2
103.05505	1.2
105.07030	16.6
107.04961	2.2
107.08580	11.3
109.02885	2.9
109.06496	2.4
109.10146	8.4
111.04449	4.4
111.08054	1.5
115.05449	1.4
117.07034	8.4
119.08571	12.9
121.06506	2.2
121.10151	8.2
123.08035	3.3
123.11688	2.3
125.05943	1.4
125.09647	1.1
127.03906	4.1
129.05472	1.5
129.06972	6.4
131.08566	12.1
133.06490	2.3
133.08578	4.3
133.10130	10.2
135.08032	2.6
135.11694	4.3
137.09596	1.4
141.06992	2.5
142.07770	1.9
143.08572	7.6
145.06467	1.7
145.10120	9.7
147.08099	1.6
147.11679	5.8
149.02330	5.6
149.09535	1.9
149.13203	1.5
150.75815	0.9
151.11131	1.5
155.07039	2.7
155.08513	6.1
157.10104	6.8
159.08017	2.4
159.11676	7.7
161.09648	1.5
161.13260	2.7
163.11165	1.8
163.14917	1.1
165.06961	1.2
166.07629	1.3
167.08534	4.4
169.10115	7.6
171.07901	1.0
171.11629	6.9
172.87924	1.0
173.04414	3.7
173.09610	1.4
173.13268	4.9
177.12639	1.1
179.08499	2.1
181.10129	7.0
183.11713	5.9
185.09622	1.5
185.13232	2.9
187.11201	1.3
187.14790	1.9
191.08665	1.1
193.04973	4.9
193.10045	2.9
195.11711	6.0
195.13599	1.0
197.13284	5.7
199.14809	3.2
207.11626	3.2
209.13232	5.8
211.14774	4.2
213.16287	1.4
219.11732	1.0
221.13252	2.9
223.14832	3.0
225.16437	2.0
227.20050	100.0
228.20317	2.0
233.13344	1.2
235.14879	2.1
237.16435	2.3
239.17976	1.5
249.16397	1.7
251.18021	1.7
255.17398	1.0
257.19025	2.0
259.20486	1.8
261.16409	1.1
270.37436	0.9
273.18591	1.4
275.20035	5.7
291.19577	1.1
309.21866	1.3
313.21625	1.4
349.23807	2.0
367.22623	1.2
385.23828	2.1
440.74115	1.0
503.41919	0.9
515.38586	2.7
527.36926	1.8
533.40131	1.0
539.37390	1.2
589.42596	1.7
607.34119	1.6
607.43524	27.2
608.43805	1.3
625.44403	2.0
730.49176	1.1
733.46552	2.9
751.47076	2.9
760.50012	1.0
769.48816	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	769.4877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	11.8
55.05502	44.4
57.03437	16.8
57.07062	3.7
60.96541	2.4
61.02917	10.5
65.03931	6.2
67.05501	100.0
68.05831	3.1
69.03428	35.6
69.07063	40.3
69.29846	6.5
69.30252	22.1
71.01333	3.0
71.04980	16.8
72.08138	4.5
73.02909	9.8
79.05491	86.6
80.05809	4.2
81.03416	59.4
81.07053	84.5
83.04982	15.2
83.08606	20.6
85.02901	24.5
85.06541	3.8
91.03960	7.5
91.05477	74.7
92.05740	3.2
93.07034	73.1
94.07355	5.1
95.04966	26.3
95.08035	4.5
95.08600	52.6
97.02898	28.4
97.06518	13.6
97.10140	13.2
98.21508	6.1
99.04438	6.6
99.80219	2.5
101.02360	2.7
103.05438	3.0
105.07027	68.0
106.07372	2.6
106.10194	2.7
107.04961	16.6
107.08592	42.5
109.02855	10.7
109.06495	13.1
109.10146	30.0
111.04457	5.4
111.08091	9.6
115.05446	4.2
117.07010	36.4
119.04890	5.3
119.08578	54.4
120.08895	4.0
121.06470	7.2
121.10118	26.7
122.10458	3.1
123.08054	10.3
123.11671	4.5
125.09624	7.1
127.03907	10.9
127.07431	3.0
128.06236	8.1
129.05522	3.9
129.07018	31.5
130.07785	3.4
131.08569	35.8
133.06454	5.2
133.10127	33.4
135.08066	5.3
135.11670	14.5
137.06012	3.1
137.09581	6.5
141.06975	11.4
142.07794	4.0
143.08546	31.0
145.06502	5.8
145.10115	37.6
147.08052	8.5
147.11668	29.6
148.12044	4.3
149.09625	7.4
149.13220	5.5
151.11211	4.7
153.06975	6.6
154.07756	3.9
155.08559	19.7
156.09247	3.7
157.10089	26.4
159.08057	5.1
159.11678	29.4
161.09634	8.4
161.13286	8.5
163.11200	7.5
165.07050	4.1
167.08568	10.8
168.09311	2.9
169.10086	29.8
171.08002	4.4
171.11674	28.6
173.04468	18.6
173.09563	5.9
173.13257	11.9
175.11142	4.9
175.14818	3.5
177.12677	3.2
179.08557	8.8
180.09404	3.7
181.10089	16.8
183.11652	21.9
185.09579	3.1
185.13295	13.8
187.11304	3.3
187.14859	7.4
189.12729	6.4
193.10138	8.9
194.10895	4.2
195.11710	18.7
197.09593	4.2
197.13324	16.7
199.11110	4.6
199.14850	8.1
201.16315	3.2
207.11736	8.2
207.13707	4.3
208.14253	3.5
209.13168	12.9
211.14799	9.6
213.12695	3.7
213.16429	6.2
217.15825	2.9
219.11606	5.1
220.12514	3.1
221.13266	8.6
223.14818	11.1
225.16454	6.5
227.12675	5.0
233.13243	4.2
235.14821	7.3
235.47917	3.3
237.16386	6.3
239.18042	6.3
241.19507	3.3
247.14687	3.0
249.16495	4.1
251.17992	3.8
257.19070	8.7
259.14771	3.2
259.20544	6.8
261.16467	3.0
265.19568	3.2
273.18521	7.8
274.18726	3.3
275.20126	23.2
276.20184	2.9
281.17349	15.7
282.17911	10.7
283.20370	3.0
291.19492	23.6
292.19870	21.2
297.22055	5.4
307.20413	3.3
315.23254	5.6
321.21948	3.7
327.23071	4.7
333.24042	4.8
349.24182	5.0
357.24130	3.0
365.23169	5.8
366.23645	4.7
367.22537	4.4
441.26053	4.6
476.74933	3.2
515.38275	4.6
533.39703	5.6
571.36060	5.5
572.36548	48.1
589.42682	7.2
605.41943	4.7
607.34039	5.8
607.43573	86.6
608.43994	3.8
619.43311	4.9
625.44397	6.9
671.41608	4.8
733.46118	5.0
751.47498	9.3
769.37067	4.0
769.48993	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.9
55.05510	25.9
56.96560	2.8
57.03431	19.3
58.17728	2.1
61.02917	7.6
63.68865	2.2
64.05592	1.9
65.03937	4.2
67.05502	72.1
69.03426	49.3
69.07066	25.3
71.01326	3.8
71.04991	17.0
73.02903	9.6
79.05489	50.1
81.02925	3.1
81.03410	87.3
81.07052	100.0
83.04965	25.5
83.08613	14.5
85.02900	30.3
85.06541	7.5
87.04449	3.7
91.03919	3.0
91.05475	42.8
93.07030	58.5
95.04970	19.9
95.08597	35.3
97.02879	45.3
97.06548	16.9
97.10146	3.7
99.04443	13.0
99.08102	5.1
101.02403	4.5
103.03934	2.9
105.07018	29.2
107.04959	8.2
107.08587	32.7
109.02870	27.1
109.06499	9.5
109.10168	10.6
111.04431	13.0
111.08064	8.0
113.02390	2.3
116.93552	2.3
117.07008	20.2
119.08566	22.3
121.06504	10.0
121.10131	18.2
123.04454	6.6
123.08056	4.5
123.11703	10.1
125.09617	2.6
127.03899	35.4
129.05463	8.2
129.06975	7.1
131.08554	21.2
133.06467	3.0
133.10112	17.8
135.08067	6.4
135.11684	10.4
137.05986	4.4
139.03917	5.2
141.06989	5.3
143.08568	7.6
145.04945	4.8
145.06503	5.5
145.10121	7.5
147.08034	2.5
147.11681	20.0
149.06001	3.3
149.09608	5.0
149.13239	23.6
155.08551	3.7
157.04889	3.4
157.06546	2.4
157.10126	4.2
159.11702	18.5
161.13277	3.1
163.03908	3.0
165.12761	10.2
169.10205	4.4
173.04449	19.1
173.05911	4.1
177.12749	10.7
179.14249	3.9
183.06618	2.8
185.13275	3.6
189.16136	2.4
193.12160	3.9
195.13788	20.4
201.07600	2.6
213.14778	5.9
229.14272	3.8
249.14772	2.3
253.18123	8.9
257.15265	4.5
261.14929	2.2
267.15973	14.0
269.10657	4.0
269.17416	30.9
270.11084	2.5
273.14911	2.2
275.16357	6.9
285.14554	3.1
293.17621	3.5
303.15933	8.1
311.18698	2.7
316.11749	3.9
316.61884	4.7
321.16937	7.3
323.11444	2.2
337.16418	2.5
339.18121	11.6
353.24823	4.1
377.19437	3.6
389.27127	3.2
395.20575	9.3
411.19980	2.4
413.21786	12.4
417.29352	2.4
422.18863	7.1
422.68939	9.1
423.19312	3.2
435.02209	2.4
445.29568	14.3
461.29071	2.7
463.24252	3.0
463.30573	37.7
469.29153	3.0
479.30420	2.7
487.30386	3.0
529.32611	2.4
571.32379	5.1
589.33569	11.6
607.34747	36.6
733.38275	4.1
751.39258	5.7
769.39618	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	768.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.8
55.05508	28.5
56.90530	1.6
57.03428	11.7
57.07071	3.9
65.03931	3.1
67.05499	89.8
69.03419	6.5
69.07066	25.2
71.04983	6.6
72.08138	2.4
73.06562	1.8
75.32922	2.1
77.03877	2.2
79.05487	95.9
81.03418	15.2
81.07052	90.2
83.04972	20.6
83.08621	9.9
85.06537	9.1
91.05470	98.6
91.16885	1.8
92.05780	2.0
93.07033	91.1
94.07372	1.8
95.04963	34.2
95.08601	42.0
97.02915	4.9
97.06532	9.5
97.10179	3.9
99.04440	3.5
103.05421	3.0
105.04473	3.0
105.07024	76.1
107.04958	15.8
107.08588	47.9
109.02879	2.4
109.06512	11.5
109.10145	41.2
111.08066	4.8
113.05993	2.4
114.94605	1.9
115.05450	2.9
117.07015	20.9
119.08569	35.9
121.06496	14.8
121.10117	15.0
123.08082	11.0
123.11664	8.7
125.09623	2.3
127.07520	3.1
128.06197	7.1
129.06996	19.3
131.07677	2.9
131.08563	20.7
133.06435	9.1
133.10121	67.1
135.08031	12.7
135.11699	7.0
137.05919	2.0
137.09639	3.7
141.06996	2.7
141.09135	1.8
142.07642	2.1
143.08571	16.2
145.06454	2.5
145.10110	16.7
147.08057	7.0
147.11687	44.5
149.09627	9.8
149.13298	2.5
151.11166	23.4
153.50874	1.7
155.08597	2.6
156.09312	3.1
157.10138	5.9
159.08076	3.0
159.11693	7.4
161.09561	13.2
161.13226	13.7
163.07599	1.9
163.11157	5.0
169.12206	4.9
171.11668	29.6
173.09584	3.1
173.13217	2.7
175.11153	6.1
177.09140	4.6
177.12726	2.6
183.11674	2.3
185.13252	4.1
187.14920	2.2
189.12714	14.9
190.45320	1.7
195.11699	2.9
197.13377	1.9
199.11223	2.2
207.13783	27.3
213.12817	1.9
215.12845	2.3
227.17993	2.4
229.61800	2.0
237.16423	2.2
245.18967	9.1
251.12796	6.8
253.14323	78.9
255.17349	4.1
263.20053	4.2
273.18442	44.3
275.20154	3.1
279.15753	1.8
281.17441	55.2
291.19519	46.1
301.21640	2.1
309.20618	3.6
324.38519	1.9
347.22134	19.7
365.23230	32.5
383.24094	2.3
430.02499	1.6
475.26801	4.6
477.28537	29.5
553.35236	20.1
571.36273	100.0
572.36145	2.6
768.44629	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	768.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	11.0
55.05507	25.8
57.03423	9.2
57.07070	1.9
60.74697	1.1
61.02924	1.3
65.03934	4.2
67.05499	86.4
69.03416	6.1
69.07059	23.9
69.07388	0.6
71.04990	6.0
72.08151	45.1
73.06565	1.7
77.03913	2.7
79.05489	95.9
80.05840	1.3
81.03416	13.2
81.07050	85.1
83.04976	19.5
83.08615	9.2
85.02893	2.1
85.06532	6.3
87.04498	1.3
91.05476	100.0
93.07037	88.3
94.07369	1.3
95.04961	30.6
95.08600	36.1
97.02877	1.2
97.06513	7.3
97.10153	4.8
99.04435	1.5
99.08066	3.2
102.93177	1.0
103.05437	2.3
105.04485	2.4
105.07023	80.7
107.04935	12.5
107.08587	43.8
109.06502	13.1
109.10145	45.6
111.08083	3.8
113.05963	1.8
115.05445	2.3
117.07009	13.9
119.04957	1.9
119.08574	33.8
121.06514	9.1
121.10139	10.0
123.08063	7.6
123.11722	6.5
125.05959	1.2
125.09622	1.4
127.07548	3.9
128.06215	4.3
129.06990	20.1
131.08562	15.0
133.06506	6.7
133.10118	62.4
135.08064	10.0
135.11697	5.4
137.05931	1.5
137.09621	1.9
139.07516	1.3
139.88301	1.3
142.07874	1.2
143.08551	12.2
145.10109	16.1
146.07272	1.2
147.08072	5.4
147.11674	32.1
149.09613	6.6
149.13316	1.3
151.11162	24.5
155.08551	1.6
157.10127	3.6
159.08014	3.1
159.11690	4.7
161.09619	11.7
161.13223	11.5
163.11188	2.1
167.08560	1.4
169.10117	2.2
169.12189	2.9
171.11685	23.5
173.09575	2.1
173.13271	2.3
175.11217	4.1
177.09097	2.6
177.12753	2.1
179.10635	1.5
185.09612	1.6
185.13135	1.4
187.11137	1.6
189.12761	12.2
192.04010	1.5
199.11316	1.2
207.13766	24.1
215.12782	2.8
225.14709	1.5
227.17950	2.0
229.80786	1.4
245.18933	5.6
248.09045	1.2
251.12773	3.4
253.14336	81.1
255.17500	2.9
263.20108	3.3
263.71872	1.3
273.18481	32.0
274.18243	1.1
281.17450	56.5
282.17688	1.3
291.19519	35.2
291.22870	1.7
301.21689	1.6
309.20520	2.3
347.22131	13.0
365.23206	27.9
475.26822	3.6
477.28439	35.2
491.29715	1.8
553.35181	17.8
571.36237	77.6
572.36395	2.8
609.45062	2.3
692.30731	1.2
768.44000	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	768.451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	5.5
55.05502	22.2
57.03423	7.7
57.11472	1.5
65.03938	2.5
66.84058	1.7
67.05497	48.1
69.03411	5.6
69.07061	29.2
71.04981	5.1
71.59973	3.7
72.08127	3.6
73.06568	1.9
79.05485	55.6
79.77507	1.7
81.03419	12.0
81.07047	41.5
82.07368	1.9
83.04975	12.2
83.08609	10.5
85.02907	2.6
85.06516	2.2
91.04884	2.5
91.05469	44.2
93.07032	47.9
95.04970	20.4
95.08599	22.9
97.02864	8.5
97.06527	5.7
97.10172	11.9
99.04446	2.7
103.05431	2.0
105.04462	2.8
105.07014	33.0
107.04953	7.8
107.08581	19.5
109.06506	4.8
109.10136	10.8
111.08087	3.1
117.06985	11.3
119.08561	25.3
121.06492	5.5
121.10101	7.6
123.08065	5.5
125.09623	8.0
129.06981	13.4
131.08524	9.4
133.06487	4.9
133.10146	12.9
134.10390	2.2
135.08063	3.7
135.11697	4.3
137.09564	2.0
141.06964	2.3
143.08543	7.9
145.10086	9.8
147.08029	8.0
147.11687	19.6
149.09615	3.1
149.13240	2.9
157.10130	3.6
159.11665	4.6
161.09616	5.4
161.13258	6.5
163.11140	3.3
169.10141	3.3
171.11575	11.2
173.13365	2.0
175.11116	2.4
189.12723	6.5
193.04956	2.0
207.13812	13.7
223.13223	10.8
227.12646	2.5
249.14729	2.7
253.14366	5.6
273.18512	16.8
277.91553	2.0
281.17432	42.1
291.19504	80.7
292.19949	2.8
347.22174	4.0
365.23148	27.2
473.28601	3.5
523.95770	2.2
553.34998	5.0
571.36237	100.0
572.36115	3.7
665.98743	2.3
768.45233	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	766.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05510	7.9
56.05031	0.7
57.03434	0.9
57.05809	0.7
57.07060	1.3
58.38321	0.3
65.03931	1.6
67.05502	37.9
69.03403	0.6
69.07063	9.9
69.35677	2.1
69.36106	1.5
70.06586	2.8
71.04992	1.0
71.08624	0.5
72.08151	67.1
73.06078	0.3
79.05489	21.0
79.74697	0.3
80.05817	0.3
81.07053	36.1
82.07375	0.4
83.04977	0.8
83.08609	4.4
85.06550	0.7
91.05475	12.5
93.07037	23.8
94.07339	0.5
95.04971	2.8
95.08601	25.0
97.02085	0.3
97.06548	1.5
97.10167	2.0
99.08129	0.4
105.04527	0.4
105.07032	6.9
107.08585	9.7
109.06512	0.5
109.10144	8.8
111.08087	1.1
117.06971	1.8
117.78790	0.4
119.08576	4.3
119.09364	0.5
121.10137	8.8
123.08026	0.5
123.11690	2.7
125.09550	0.5
131.08594	2.6
133.10124	4.8
135.11687	3.9
136.97617	0.3
137.13261	1.0
145.10135	1.6
147.11659	2.2
149.13249	1.9
151.14896	0.5
159.11714	1.3
161.13214	2.1
163.14845	1.0
170.05768	35.3
173.13229	0.8
175.14828	1.2
177.16489	0.4
189.16397	0.5
195.00272	0.5
245.22684	0.8
246.05481	0.4
261.22189	0.9
263.23761	2.3
319.26120	0.8
335.25818	0.4
437.92670	0.4
597.48737	100.0
598.49017	5.5
623.64850	0.4
725.62250	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.9
57.03432	11.9
57.06867	1.7
57.07073	20.9
64.66393	1.8
67.05510	11.9
69.07050	7.0
70.65768	2.4
70.66108	4.9
71.08629	16.7
72.08149	4.5
79.05477	9.2
81.03411	50.4
81.07053	17.1
83.04955	2.1
83.08615	19.2
85.02885	2.8
85.10170	13.9
91.05493	12.7
93.07042	6.7
95.04973	18.3
95.08611	16.9
97.02888	1.8
97.10184	3.8
103.07550	2.2
105.07030	6.5
107.04970	3.7
107.08527	2.4
109.10159	8.4
111.08065	3.0
119.08568	7.1
121.10144	6.0
123.04411	2.7
123.11719	3.1
129.07007	9.3
131.08589	4.8
133.06468	2.0
133.10098	2.8
135.11746	2.9
144.77924	1.9
145.10100	2.3
147.08038	2.3
147.11658	3.1
148.18593	2.1
157.10106	8.5
171.11694	2.1
175.11189	7.5
193.10580	3.5
193.12202	22.5
235.13368	4.0
239.23772	3.2
267.15903	92.9
289.14221	2.3
309.16971	2.7
313.27350	100.0
335.66299	2.1
404.66806	2.3
443.18951	3.1
505.38855	76.8
508.15833	2.4
547.39807	6.4
597.47949	5.1
601.40466	2.2
627.39496	2.3
663.40411	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	765.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	12.6
57.03432	9.3
57.07074	36.6
67.05503	33.8
68.45187	4.0
69.07059	13.5
71.08624	27.1
71.58884	3.7
79.05491	30.0
81.07038	34.2
83.08604	13.5
84.13442	3.5
85.02882	11.7
85.10180	13.0
91.05051	3.4
91.05482	31.7
93.07047	26.8
95.04971	4.4
95.08601	43.2
97.10171	8.6
100.56944	4.9
105.07008	41.1
107.08588	20.8
109.10151	14.4
113.79309	3.9
117.06998	10.3
119.08575	42.1
121.10117	11.3
123.11697	5.9
129.06969	8.2
131.08536	19.7
133.10112	37.7
135.11697	18.5
143.08549	5.1
145.10100	18.0
147.11679	36.9
149.13245	11.6
157.10121	6.5
159.11685	14.0
161.13231	25.2
171.11655	12.6
173.13274	10.2
175.14801	14.8
185.13257	10.9
187.14751	5.3
189.12772	4.5
199.14844	6.8
202.71202	4.2
215.17528	3.9
231.21075	9.7
239.23662	10.3
241.19482	41.7
259.20538	100.0
276.49600	4.1
304.50897	4.6
310.09741	5.1
313.27335	98.7
315.23108	8.9
333.24225	49.4
417.22717	4.2
465.63177	4.9
474.44174	3.9
506.06561	3.8
559.91089	4.0
571.47241	10.9
589.48096	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	764.5221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05302	0.7
55.05515	8.8
56.35566	0.6
57.03445	1.1
57.05804	0.7
57.07084	3.7
65.03944	1.6
67.05504	27.2
69.07076	6.6
70.06602	3.0
71.08640	1.0
72.08154	77.1
77.01517	0.6
77.03892	0.6
78.19955	0.7
79.05492	36.0
81.03416	2.3
81.06576	1.5
81.07056	24.6
83.08617	3.4
85.06541	1.7
90.09190	0.7
91.05483	24.1
93.07043	40.6
95.04974	5.3
95.08607	15.4
97.06543	1.2
97.10179	2.2
105.04532	0.8
105.07028	16.3
107.08590	16.5
109.06491	1.0
109.10165	5.3
111.08032	0.7
117.07013	6.9
117.47607	0.6
119.08588	9.0
121.10142	9.7
123.11715	2.4
129.06999	1.3
130.07814	0.9
131.08566	9.5
133.10129	6.0
135.11702	8.2
143.08585	1.2
145.10118	5.5
147.11700	4.9
149.13266	4.9
157.10176	1.1
159.11671	3.7
161.13272	4.6
163.14876	2.2
170.05772	33.7
173.13274	2.6
175.14833	2.8
187.14793	2.6
189.16426	0.9
201.16467	1.0
243.21071	1.9
261.22189	5.4
270.96899	0.6
271.73730	0.7
299.23706	1.4
302.51398	0.7
317.24762	17.3
542.93457	0.7
595.47205	100.0
596.47552	2.6
609.45648	0.6
764.45941	3.0
765.42352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.2
57.05811	1.2
57.07065	3.0
65.03928	2.1
67.05503	30.2
69.07067	8.9
69.42212	2.5
69.42651	4.4
70.06584	2.7
71.04959	1.0
71.08637	1.0
72.08151	83.9
79.05489	36.8
79.05958	1.4
81.07054	27.4
83.04962	1.4
83.08607	3.5
83.57682	0.9
85.06548	1.3
87.92968	0.7
91.05476	22.3
93.07040	43.5
95.04967	5.4
95.08605	19.5
96.08791	0.7
97.06488	1.1
97.10164	1.1
98.21561	1.4
103.05448	0.8
105.04493	1.4
105.07026	15.5
106.95311	0.8
107.08591	15.6
109.10150	5.6
111.08038	1.5
117.07011	6.0
119.08580	9.5
121.10134	14.5
123.11742	1.2
129.07030	0.9
131.08542	9.7
133.10132	5.8
135.11681	7.8
137.09587	1.2
145.10077	4.6
147.11673	5.4
149.13254	3.3
155.60922	0.8
159.11696	3.5
161.13177	4.0
163.14809	1.4
170.05759	35.7
171.11659	0.8
173.13234	2.2
175.14847	1.6
187.14742	1.5
201.16377	1.3
243.21048	1.6
261.22098	4.4
317.24774	15.0
335.25723	1.7
438.83194	0.9
595.47162	100.0
596.47150	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	764.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.4
57.07054	1.1
65.03928	1.0
67.05504	26.9
69.06715	1.0
69.07063	8.8
70.06577	2.7
70.19286	2.4
71.04961	1.3
72.08152	72.3
79.05489	28.0
79.05956	1.3
81.03453	0.7
81.07052	24.4
83.04971	1.4
83.08602	4.1
90.09175	1.1
91.05474	17.0
93.07038	32.6
93.21799	0.7
95.04971	4.7
95.08602	18.6
97.06528	1.2
105.04503	0.9
105.07011	9.3
107.08588	13.0
108.26166	0.6
109.06559	1.3
109.10155	7.3
117.07010	3.6
119.08575	7.7
121.10143	12.3
123.11684	1.4
131.08569	5.3
133.10135	4.7
134.91449	0.8
135.11690	6.6
137.09644	0.8
145.10117	3.2
147.11693	2.1
149.13309	2.1
159.11673	2.7
161.13245	2.4
163.14775	0.8
170.05771	32.9
173.13252	1.5
175.14780	0.8
175.17406	0.7
194.04520	0.9
261.22214	2.5
308.69839	0.9
317.24850	0.9
429.99445	0.7
498.49799	0.8
595.47180	100.0
596.47626	1.6
699.07690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.5217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51110	1.5
55.05507	16.3
57.07060	2.0
57.56134	1.8
61.98188	1.8
65.03953	2.4
67.05502	46.9
67.61572	1.7
69.07064	13.3
70.06586	2.4
70.94338	3.9
70.94700	3.5
72.08154	97.7
79.05489	25.3
79.80488	1.5
81.07056	44.3
83.08613	6.7
91.05479	36.3
93.07042	21.4
95.04966	4.8
95.08601	30.0
97.06552	2.6
105.07027	28.6
107.08594	11.3
109.10168	10.3
117.06982	10.8
119.08564	26.3
121.10158	9.0
123.11702	3.3
129.07004	2.7
131.08582	13.5
133.10098	12.2
135.11696	3.7
137.07713	1.7
143.08630	2.6
145.10120	6.8
147.11710	6.2
157.10130	2.7
159.11696	6.7
161.13261	2.0
170.05772	45.8
173.13191	3.2
175.14723	1.9
185.13245	2.2
209.26665	1.8
238.32141	1.9
249.14565	1.5
259.20584	7.3
315.23209	19.5
333.78006	1.6
536.51874	2.0
595.47174	100.0
596.47308	3.3
675.43884	1.9
789.51184	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	763.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01892	0.3
55.05500	1.5
57.03430	2.2
61.02924	5.9
61.35445	0.3
62.83646	0.3
67.05500	5.7
67.79383	0.3
69.03429	3.1
69.07072	1.1
71.04998	2.0
71.51456	0.7
73.02911	4.2
79.05496	3.4
81.03403	2.1
81.07054	6.1
83.08636	0.8
85.02899	5.0
91.03956	3.4
91.05474	2.1
93.07034	4.6
95.04988	0.5
95.08600	4.3
97.02879	5.9
97.06545	0.6
98.03276	0.4
99.04473	1.2
101.02372	1.8
103.03957	0.5
105.07043	1.5
105.85141	0.3
107.08579	2.3
109.02876	1.0
109.10152	1.0
117.07059	0.6
119.08604	0.7
121.10114	1.8
123.11724	0.8
127.03931	1.3
131.08607	0.9
133.10121	1.9
135.11714	1.2
147.04385	0.7
147.11681	0.5
149.13274	0.7
151.11215	0.5
159.11684	0.6
185.04207	0.7
187.13289	0.4
203.05183	0.5
243.08421	1.9
257.17709	0.5
267.15765	2.0
285.07837	1.0
333.15350	1.1
335.25787	0.4
485.23572	4.5
486.23270	0.4
494.52029	0.4
519.29254	8.8
686.23657	0.4
763.45972	100.0
764.46460	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	763.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01865	0.6
55.05510	1.6
57.03429	1.4
57.07075	0.3
61.02925	4.0
67.05505	4.9
69.03434	2.7
69.07068	2.5
70.20352	0.6
70.20750	0.6
71.04987	0.5
73.02913	3.5
79.05494	3.3
81.03427	1.9
81.07054	7.1
83.04999	0.5
83.08615	1.5
85.02908	4.4
87.04472	0.5
91.03952	2.7
91.05476	2.4
93.07037	4.8
95.04964	0.7
95.08607	2.4
97.02892	3.4
97.06539	1.1
99.04451	1.0
101.02357	1.6
105.07059	1.8
107.08588	2.6
109.02871	0.4
109.10194	0.8
111.08082	0.6
117.05723	0.3
117.07034	0.8
119.08579	0.8
121.10147	1.5
125.09686	0.5
127.03908	1.0
131.08604	1.1
133.10152	1.0
135.11700	1.1
139.11119	0.3
145.10109	0.8
147.11699	0.6
149.13211	2.0
155.15788	0.3
159.11641	1.6
177.12851	0.4
185.04224	0.5
195.13795	0.5
203.05330	0.5
221.11700	0.3
235.13132	1.4
243.08356	3.1
291.15747	0.5
295.13831	0.3
316.19781	0.3
327.76929	0.3
333.20209	1.7
341.05087	0.3
364.05188	0.3
389.23120	0.5
439.19479	0.5
453.20981	11.4
453.27402	0.6
468.92703	0.3
469.20560	0.8
551.28186	4.7
567.42432	0.4
601.37549	0.5
665.34601	0.7
763.42328	100.0
764.42786	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	763.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01882	0.8
55.05515	1.9
57.03439	2.1
61.02924	4.8
65.61900	0.4
67.05500	4.0
69.03429	2.6
69.07066	1.3
70.84074	0.5
70.84409	0.8
71.04997	0.5
72.08163	1.1
73.02921	3.7
79.05493	4.1
81.03417	3.8
81.07053	4.4
83.05000	1.1
83.08617	1.2
85.02906	6.1
91.03961	2.5
91.05470	4.5
93.07034	4.4
95.04969	2.0
95.08627	2.2
97.02904	4.3
97.06526	0.8
97.10194	0.7
97.28829	0.4
97.72128	0.4
98.93176	0.4
99.04465	0.9
101.02388	1.3
103.03929	0.4
105.07025	3.2
107.04948	0.5
107.08572	2.0
109.02895	1.5
109.10174	1.2
111.08073	0.5
117.06992	0.7
119.08575	3.1
121.10159	1.4
123.11706	0.4
125.09639	0.4
127.03905	0.8
129.07050	1.1
131.08578	1.6
133.10161	2.0
145.10110	1.0
147.11717	1.5
149.13391	0.4
157.10144	1.2
175.11253	0.8
185.04254	1.1
188.79207	0.4
193.12292	1.6
211.13425	0.7
243.08424	3.2
251.12540	0.9
285.17142	0.5
291.23904	0.4
301.09097	1.3
307.14890	0.4
315.10532	0.9
317.20801	0.7
333.19724	0.9
339.56619	0.4
373.11340	0.6
400.31100	0.4
453.20941	1.5
465.20877	0.7
469.20432	12.1
535.28766	3.5
541.22778	1.0
551.28229	0.6
763.42316	100.0
764.42621	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	763.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01875	0.3
55.05503	1.3
57.03427	1.3
61.02928	4.0
65.03944	0.4
65.81723	0.2
67.05164	0.4
67.05502	4.9
68.62712	0.3
69.03423	2.3
69.07075	2.7
71.01337	0.5
71.04987	0.9
72.08151	1.3
73.02922	2.7
76.79735	0.3
77.21946	0.3
79.05486	2.8
81.03403	1.6
81.07053	7.3
83.04990	0.6
83.08620	1.3
85.02910	3.6
87.04498	0.3
88.84531	0.3
89.56522	0.2
91.03951	2.3
91.05473	2.8
91.06781	0.3
93.07034	4.2
93.79903	0.3
95.04985	1.0
95.08600	2.2
97.02900	3.6
97.06541	0.8
97.10175	0.6
98.20705	0.5
99.04470	0.7
99.08082	0.5
101.02374	1.4
105.07030	1.2
107.04961	0.4
107.08575	2.7
108.63909	0.3
109.02876	0.9
109.06522	0.6
109.10172	0.9
111.08109	0.4
117.07036	0.8
117.91233	0.2
119.08589	1.3
121.06489	0.3
121.10139	1.4
123.11754	0.6
127.03922	1.5
129.06976	0.3
131.08569	0.9
133.10127	1.3
135.11707	0.9
145.04912	0.4
145.10129	0.5
147.11687	1.0
149.09648	0.4
149.13251	1.6
159.11745	0.9
163.11153	0.3
177.12729	0.4
185.04210	0.5
195.13828	0.5
235.13158	1.3
243.08365	2.8
275.20212	0.6
291.15775	0.6
293.21292	0.4
333.20337	1.9
389.22934	0.7
423.19794	0.7
453.20905	8.5
464.66782	0.3
469.20599	0.9
484.43384	0.4
525.23242	0.7
535.29364	0.4
551.28174	6.5
594.41193	0.5
635.33856	0.5
665.34851	1.8
763.42328	100.0
764.42627	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	763.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
54.75593	0.4
55.01861	0.7
55.05512	2.1
55.30549	0.4
57.03428	2.0
58.97414	0.4
61.02927	5.3
67.05499	5.7
69.03423	3.3
69.07066	2.9
71.01357	0.6
71.04986	0.9
71.59254	0.9
72.08150	1.6
73.02903	3.6
79.05486	4.7
80.64502	0.4
81.03403	2.1
81.07053	8.4
83.04978	1.2
83.08614	1.7
85.02904	4.4
85.06538	0.5
91.03947	3.0
91.05464	3.4
93.07028	5.3
95.04971	1.2
95.08602	3.1
97.02881	4.9
97.06535	0.5
97.10143	0.4
99.04436	0.9
101.02382	1.5
105.07045	1.8
107.08582	3.2
109.02889	0.6
109.06528	0.6
109.10143	1.2
111.08074	0.7
116.82215	0.4
117.07040	1.4
117.71722	0.4
119.08582	1.6
121.10173	1.4
127.03937	1.6
129.07048	0.5
131.08595	1.5
133.10147	1.7
135.11711	1.6
143.08612	0.5
147.11732	1.1
149.09737	0.5
149.13258	2.2
157.10063	0.4
159.11716	1.3
171.11742	0.7
185.04198	0.8
195.13809	0.5
200.32094	0.4
202.72855	0.4
203.05370	0.6
211.94055	0.4
215.11594	0.4
223.13649	0.4
235.13150	1.7
243.08322	2.4
252.37274	0.4
262.12497	0.4
269.17587	0.5
273.59348	0.4
333.20346	1.2
389.22955	0.6
439.19495	0.6
453.20889	10.1
454.21817	0.5
459.76196	0.4
469.20380	0.9
525.23364	0.5
551.28253	5.9
665.35272	3.0
742.29321	0.5
745.24384	0.5
745.37103	0.6
762.38666	0.5
763.42279	100.0
764.42676	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	763.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.9
55.38659	0.7
67.05479	1.6
69.07067	1.1
69.62666	0.7
71.59877	1.3
72.08143	1.3
79.05477	1.5
81.07043	2.0
85.02914	1.1
91.03929	0.8
91.05474	0.9
93.07041	1.1
95.08610	1.4
97.02880	0.9
104.07922	0.8
105.07047	1.3
107.08591	0.8
109.25698	0.8
119.08617	1.0
121.10142	1.3
148.04607	0.9
149.01239	1.4
207.72194	0.7
220.26851	0.7
269.10550	1.4
270.96725	0.8
287.11603	1.2
333.17316	1.0
386.91345	0.9
393.74860	0.8
487.18546	1.5
551.26013	1.1
569.26935	1.0
583.39972	0.8
677.34961	1.6
763.40387	100.0
764.40424	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	763.401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.4
57.03418	1.0
61.02936	1.6
67.05491	3.5
69.07063	1.0
69.25871	2.0
69.26278	7.6
72.08151	3.3
79.05506	1.2
81.03405	0.9
81.07040	1.9
85.02903	1.3
91.03946	1.8
91.05491	2.7
93.07036	3.0
95.08598	1.0
97.02873	1.1
98.21512	1.5
105.07037	3.1
108.08907	0.8
113.36061	0.8
119.08610	1.3
121.10133	1.2
129.06996	0.9
131.08618	0.9
145.10143	1.4
147.04405	1.2
166.54103	0.8
260.92072	0.7
267.08972	0.8
272.12491	0.8
285.10257	1.1
291.19131	0.9
493.74097	0.8
519.29736	1.5
535.27222	0.8
594.44708	1.8
687.63690	0.8
745.40784	3.4
763.40527	100.0
764.40790	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	763.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.9
58.38969	0.9
67.05493	2.0
69.07071	1.4
69.82535	0.8
71.59704	2.0
73.89008	1.0
79.05475	1.4
81.03397	1.3
81.07059	2.4
85.02882	1.2
91.05482	2.0
93.07043	1.8
95.08595	1.5
97.02907	1.6
105.07018	1.4
107.08636	1.1
109.10160	1.8
133.10120	0.9
243.08263	1.0
267.09241	1.4
297.33389	1.0
350.14505	0.9
425.55240	0.9
536.46185	0.9
552.04620	1.0
745.39313	1.2
763.40393	100.0
764.40649	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	762.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.01867	0.9
55.05506	10.8
56.05023	1.0
57.03424	1.5
57.05805	1.0
57.07074	3.1
58.25333	0.3
65.03936	2.3
67.05499	29.4
69.03421	0.6
69.07062	8.7
69.42514	3.2
70.06579	4.6
71.04982	1.1
71.08628	1.0
72.08148	99.3
73.08471	0.3
78.77686	0.4
79.05485	35.8
81.03423	0.7
81.07050	23.3
83.04986	1.5
83.08611	3.7
84.96451	0.3
85.06547	1.2
88.99309	0.4
90.09171	1.2
91.05473	40.0
92.05797	0.5
93.07034	37.4
93.88967	0.4
95.04952	5.7
95.05465	0.5
95.08598	18.5
97.06527	1.3
97.10181	2.4
99.08112	0.4
103.05457	1.1
103.74043	0.3
104.06291	0.4
105.04528	0.9
105.07019	38.1
107.04998	0.5
107.08588	17.9
109.06529	1.5
109.10149	5.5
111.08087	0.4
115.05460	1.4
116.06230	0.4
117.07007	14.7
119.08571	23.7
121.06530	0.5
121.10132	10.1
122.10449	0.4
123.08045	1.3
123.11713	1.9
125.09676	0.6
128.03714	0.4
128.06197	0.8
129.06979	4.9
130.07767	1.2
131.08553	17.6
132.09344	0.4
133.10117	16.9
135.08023	0.9
135.11687	6.6
137.13245	0.6
139.11208	0.4
142.07802	0.8
143.08545	4.2
144.09319	0.6
145.10112	12.0
147.11673	9.9
149.09520	0.4
149.13263	4.1
153.12740	0.5
155.08543	1.2
157.10141	3.8
159.11685	8.9
161.13219	4.0
163.11139	0.4
163.14851	1.5
169.10121	0.6
170.05759	42.1
170.94247	0.3
171.11652	2.9
173.13248	5.5
175.14842	2.0
181.10162	0.6
183.11687	1.0
185.13298	2.0
186.13943	0.3
187.14827	2.4
188.17207	0.4
189.16414	0.8
195.11633	0.5
197.13260	0.8
199.14848	0.9
201.16426	1.0
209.13499	0.5
213.16431	0.4
215.17944	0.5
225.16347	0.4
231.21114	0.5
233.15239	0.5
241.19572	1.0
243.21124	1.3
247.16907	0.6
259.20581	5.2
261.22131	3.0
281.22751	0.4
297.22214	1.0
299.23770	0.6
315.23172	13.7
317.24713	11.8
317.28296	0.7
331.12537	0.3
333.24338	0.6
335.25833	0.7
349.78082	0.5
593.45581	100.0
594.46295	2.4
755.22125	0.5
762.39069	7.4
763.40131	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	762.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.01875	2.0
55.05508	11.1
57.03429	1.9
57.59782	0.9
65.03936	1.9
67.05501	36.3
69.07058	9.4
70.06584	4.1
70.06937	0.9
70.16927	4.4
71.04993	1.9
71.08661	0.8
72.08151	100.0
74.47456	0.8
77.03906	1.3
79.05486	39.3
81.07048	26.9
83.04978	2.0
83.08616	3.4
91.05477	40.6
93.07041	36.2
95.04971	6.8
95.08600	22.2
97.06506	1.6
97.10188	1.2
100.96775	0.9
105.04496	1.0
105.07022	41.8
107.04945	1.2
107.08584	15.0
109.06508	1.9
109.10131	6.1
110.80748	0.8
112.25715	0.8
117.07011	14.5
119.08578	25.6
121.10123	10.6
121.10922	1.2
129.06999	3.9
130.07739	1.1
131.08560	13.4
133.10118	14.9
135.11650	4.8
142.07791	1.2
143.08545	2.4
145.10106	9.5
147.11664	6.9
149.13258	2.4
157.10130	3.5
159.11674	8.6
161.13271	2.0
170.05763	36.2
171.11720	2.2
173.13246	4.0
183.11557	1.1
185.13232	1.5
187.14841	1.9
199.14796	1.8
241.19455	1.3
259.20590	4.7
261.22256	1.7
315.23206	17.4
335.25912	1.0
478.62338	1.0
593.45593	96.4
594.46185	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	761.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01865	0.6
55.05509	2.7
56.96545	0.3
57.03432	2.0
59.05026	0.3
61.02921	3.5
62.24629	0.2
65.03959	0.3
66.74232	0.2
67.05499	5.5
69.03424	2.3
69.07059	3.3
71.01341	0.4
71.04984	0.8
73.02908	2.6
79.05484	4.7
81.03413	1.9
81.07048	7.3
82.07410	0.4
83.04977	1.0
83.08598	1.6
85.02896	4.2
85.06555	0.3
91.03964	2.2
91.05473	2.9
93.07037	5.3
94.07351	0.5
94.33814	0.2
94.80585	0.3
95.04965	1.0
95.08601	2.2
97.02885	4.6
97.06533	1.2
97.10176	1.1
98.21544	0.5
99.04446	0.7
99.08090	0.4
101.02370	1.8
103.03955	0.3
105.06999	1.4
107.04957	0.6
107.08575	3.6
109.02876	0.7
109.06499	0.4
109.10159	1.1
111.08095	0.6
117.07053	0.8
119.08591	1.0
121.10117	1.6
122.10477	0.3
125.09603	0.5
127.03935	0.9
129.18475	0.2
131.08578	0.9
133.10095	1.3
135.08064	0.6
135.11699	1.2
137.06081	0.3
137.09683	0.2
138.27499	0.2
145.10115	0.5
147.11636	0.3
149.09581	0.3
149.13242	2.3
159.11703	1.5
165.12755	0.3
177.12788	0.4
185.04263	0.5
195.13707	0.5
203.05423	0.3
222.08171	0.2
223.13367	0.7
229.68044	0.4
235.13141	0.9
243.08389	3.3
245.19156	0.3
269.17572	0.9
271.19211	0.4
272.19193	0.3
291.16101	0.4
291.19534	0.7
331.18823	1.3
387.21487	0.3
443.18811	0.3
453.20941	11.2
463.30447	0.6
464.30997	0.7
465.32166	0.4
466.32196	0.4
525.23621	0.5
549.26569	3.3
581.29321	0.4
732.40662	0.3
761.40698	100.0
762.41077	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	762.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
53.40036	0.9
55.05507	10.2
57.03423	1.5
57.07070	1.5
62.89360	1.0
65.03935	1.8
67.05502	23.3
69.07077	8.4
70.06577	1.8
70.09734	0.9
71.05001	1.3
71.13533	3.1
72.08155	72.4
72.93130	1.0
79.05489	24.1
81.07058	21.3
83.08609	2.4
90.67334	0.9
90.85928	1.1
91.05477	28.4
93.07041	27.3
95.04977	4.5
95.08606	17.0
97.06523	1.8
97.10152	1.8
105.07027	27.6
107.08592	13.3
109.10157	4.8
117.07031	10.3
119.08587	15.1
121.10136	9.7
123.11700	1.4
125.09479	1.1
129.06979	2.2
131.08543	11.2
133.10132	12.8
135.11661	3.0
143.08531	3.0
145.10092	9.7
147.11678	5.9
149.13297	1.3
155.41064	1.2
159.11690	7.7
161.13292	2.8
170.05777	37.0
171.11685	1.9
173.13249	4.3
185.13298	2.0
187.14857	1.7
258.84976	1.3
259.20569	5.2
261.22238	1.5
315.23199	18.4
335.25818	2.1
593.45624	100.0
594.45862	3.9
740.91425	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01883	0.4
55.05489	1.1
57.03426	1.3
59.04988	1.4
61.02917	3.9
65.03973	0.4
67.05511	2.7
69.03423	3.0
69.07052	1.0
69.48744	0.4
70.15406	1.7
71.04984	2.0
72.08131	0.5
73.02914	3.3
79.05475	3.5
81.03403	5.4
81.07056	3.9
83.04977	1.1
83.08597	0.9
85.02908	3.8
85.06541	0.6
86.28099	0.4
87.04427	0.7
91.03930	2.3
91.05476	5.0
92.97405	0.5
93.07009	3.0
95.04951	2.8
95.08606	1.5
97.02901	3.7
97.06535	1.0
99.04475	1.0
101.02364	1.7
105.07029	2.8
107.04987	0.4
107.08588	1.5
109.02860	0.9
109.06513	0.6
111.08108	0.8
114.21203	0.4
119.08572	2.1
120.05803	0.4
121.10131	2.7
121.89174	0.4
123.08099	0.5
127.03918	1.3
129.07007	1.1
131.08571	2.4
133.10149	1.7
147.04410	0.7
147.11674	2.1
149.09625	2.6
157.10088	2.0
175.11200	0.9
193.12213	2.8
197.15396	0.6
203.05234	0.6
211.13326	0.6
225.14897	1.2
243.08415	2.9
253.13995	0.7
267.15952	1.5
269.12341	0.5
283.15146	7.5
325.65292	0.5
339.17740	2.2
441.21005	0.6
469.20407	1.0
501.23010	28.1
599.34204	0.5
705.87659	0.4
761.39178	100.0
762.39624	3.1
774.10107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01877	0.6
55.05503	2.1
56.96541	0.5
57.03427	1.9
61.02919	5.1
67.05505	6.3
67.72080	0.4
68.11000	0.5
69.03436	2.5
69.07063	2.6
70.30055	0.5
71.04991	1.0
72.08147	1.6
73.02920	2.5
79.05491	5.2
81.03416	4.6
81.07045	6.6
82.07378	0.5
83.04977	1.5
83.08607	1.4
85.02905	5.2
85.06562	0.5
91.03946	2.5
91.05471	6.8
93.07035	4.6
94.07396	0.7
95.04975	1.9
95.08608	2.5
97.02871	3.6
97.06528	1.1
99.04466	0.5
101.02352	1.1
105.07031	4.8
107.04955	0.8
107.08575	2.2
109.02898	0.7
109.06525	0.6
109.10168	1.2
111.08114	0.6
113.06058	0.7
117.07003	1.1
119.08566	3.1
121.10127	1.3
123.08051	0.7
123.11784	0.5
127.03907	1.3
129.06956	0.8
131.08566	1.8
133.10133	2.9
135.11711	1.0
139.01031	0.5
143.08548	0.5
145.10162	0.9
147.11707	2.2
149.09641	1.3
149.13394	0.5
157.10135	1.1
159.11739	0.8
163.11168	0.6
175.11206	0.7
184.83133	0.5
193.12248	1.0
212.77202	0.5
243.08510	1.9
255.15926	0.5
269.17624	0.5
282.62244	0.5
285.10052	0.5
288.15253	0.5
315.19360	4.0
333.23953	0.5
349.24084	0.7
371.22214	1.1
429.50906	0.5
431.23022	0.6
451.19492	1.0
469.20456	8.5
533.26996	3.7
545.38098	0.6
546.39270	0.5
598.49426	0.6
761.40729	100.0
762.41089	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04888	2.9
55.01856	6.3
55.05507	27.1
57.03417	14.9
57.07078	4.6
59.62463	2.8
61.02912	6.3
67.05499	100.0
69.03409	8.1
69.07065	29.8
70.12302	12.5
71.04990	21.2
71.08626	4.2
79.05057	5.6
79.05485	65.0
81.03401	10.8
81.07050	99.7
82.07375	9.1
83.04961	10.5
83.08611	23.6
85.02892	9.1
85.06541	9.4
91.03926	4.1
91.05474	55.2
93.07038	63.2
95.04980	15.4
95.08598	49.3
96.65668	3.4
97.02849	4.9
97.06518	14.1
97.10160	6.4
98.20836	5.0
99.08084	6.0
101.02392	3.1
105.06391	4.0
105.07028	41.3
107.04997	3.6
107.08594	41.3
108.08918	3.7
109.06490	8.8
109.10151	33.2
109.43000	3.3
110.01494	3.8
111.08046	6.8
115.05460	3.7
117.06988	20.6
119.08577	36.5
120.08896	5.5
121.06474	6.5
121.10137	33.1
123.08035	4.9
123.11677	5.5
125.09590	7.2
127.03811	3.8
129.06969	7.2
131.08534	22.0
133.10127	38.3
134.10463	4.0
135.11673	25.6
137.09602	9.8
139.11128	4.6
143.08566	6.0
145.10132	22.3
147.11662	21.0
149.09622	4.0
149.13242	17.9
151.11172	9.2
155.08566	3.8
155.17465	3.5
157.10124	7.3
159.11708	18.9
161.13226	11.1
163.11194	8.3
171.11638	6.5
173.11841	3.5
173.13263	8.9
175.14804	4.9
177.12787	4.6
178.58018	3.3
185.13214	6.1
187.14742	4.9
195.13719	5.8
227.12755	6.9
241.19487	11.2
243.15932	4.6
249.97198	3.3
255.16003	4.5
257.19043	5.0
259.20557	20.0
262.90082	3.9
269.17438	37.9
270.17673	7.6
271.18933	10.4
275.20026	10.1
276.20309	6.0
277.21439	7.5
287.18509	17.9
315.23279	3.9
333.24295	18.9
341.74741	3.8
349.23816	3.8
351.25058	5.0
355.01468	3.5
355.48102	3.4
368.24942	4.2
387.82886	3.8
395.29141	4.8
463.30511	39.3
465.32205	6.3
469.33191	5.0
487.34140	41.3
513.36053	24.0
519.36707	7.8
531.36932	6.8
544.36676	7.4
545.38123	41.7
563.38489	12.6
668.92932	4.0
760.39410	11.8
761.40100	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
53.73497	0.3
55.01869	0.5
55.05504	1.4
57.03420	1.6
60.19575	0.3
61.02926	4.3
65.03908	0.4
67.05497	4.5
69.03424	2.3
69.07063	1.0
71.04990	0.8
73.02910	2.7
79.05485	5.5
80.46818	0.3
81.03415	2.2
81.07048	5.1
83.04990	1.1
83.08620	0.5
85.02894	3.6
85.06526	0.4
91.03957	2.1
91.05470	5.0
93.07040	5.7
95.04953	1.8
95.08595	2.6
97.02886	3.3
97.06509	0.4
97.10184	0.6
98.21519	0.5
99.04462	0.9
101.02380	1.4
105.07033	3.3
107.05006	0.5
107.08564	2.5
109.02899	0.7
109.06528	0.5
109.10175	1.1
117.07043	0.9
119.08562	3.0
121.10172	1.4
127.03935	1.2
129.06990	1.3
131.08585	1.0
133.10143	1.7
135.11702	1.3
143.08601	0.7
144.88477	0.3
145.05009	0.3
145.10127	1.3
147.11678	2.6
149.13292	0.5
155.35556	0.3
157.10236	0.4
159.11703	0.8
161.09564	0.3
161.13268	0.8
171.11658	1.7
185.04242	0.9
203.05290	0.4
207.13892	0.4
241.06705	0.4
243.08345	3.3
247.13133	1.3
259.20615	0.4
281.17493	0.7
301.09085	1.1
303.15771	0.6
313.09250	0.4
315.10410	0.7
317.20987	0.4
331.00699	0.3
343.13336	0.3
371.17014	0.3
373.11218	0.4
379.19449	0.5
397.18536	0.4
422.96445	0.4
465.20953	10.7
481.20932	0.4
495.22147	0.5
535.28674	6.2
537.23041	1.9
562.38818	0.5
606.53259	0.4
621.32501	0.5
661.35681	0.5
759.42816	100.0
760.42859	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	759.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	1.4
55.32186	0.9
62.61065	0.8
67.05492	2.4
74.00322	0.8
77.72367	0.9
79.05515	1.0
81.07055	2.8
89.67316	0.9
91.60332	0.9
95.08633	1.1
99.33826	0.9
103.57814	0.9
103.85870	1.0
105.07075	1.5
140.19746	0.9
249.04074	0.9
294.23126	0.9
587.46362	2.9
759.40735	100.0
760.41211	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	759.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01878	0.3
55.05511	2.6
56.05779	0.3
56.16806	0.3
56.96539	0.3
57.03425	2.3
57.07061	0.4
59.08691	0.3
61.02917	4.5
65.03943	0.7
65.36785	0.3
67.05495	8.6
69.03419	2.4
69.07056	2.7
71.01340	0.4
71.04990	0.7
72.08145	0.4
73.02911	3.5
79.05484	8.7
80.05820	0.3
81.03413	3.5
81.07043	7.2
82.00179	0.3
82.07397	0.5
83.04982	1.2
83.08594	1.7
85.02890	4.3
91.03943	2.4
91.05470	6.2
92.05838	0.4
93.07035	9.4
94.07362	0.4
95.04955	2.4
95.08595	4.3
96.08944	0.4
97.02888	4.2
97.06521	0.9
97.10155	0.6
99.04443	0.7
101.02351	1.9
103.03951	0.4
105.07018	6.0
106.07347	0.3
107.04910	0.5
107.08578	3.2
109.02866	0.9
109.06532	0.6
109.10143	1.4
111.04446	0.6
111.08145	0.4
115.04000	0.3
117.07006	1.5
119.08572	3.7
120.08902	0.4
121.06506	0.6
121.10115	2.6
123.08050	0.7
125.09637	0.3
127.03927	1.3
129.07036	1.1
131.08586	2.3
133.10132	2.7
134.10477	0.4
135.08047	0.3
135.11696	1.3
141.99174	0.3
143.08582	0.9
145.10110	1.6
146.10464	0.3
147.08047	0.4
147.11649	3.6
149.13242	0.9
157.10165	0.7
159.11662	0.9
160.12068	0.5
161.09615	0.4
161.13284	1.3
165.12939	0.3
171.11630	1.6
173.13330	0.4
185.04280	0.7
189.12744	0.6
207.13829	0.6
213.42987	0.3
243.08435	2.8
243.68492	0.3
247.13176	1.0
250.59407	0.3
259.07956	0.4
259.20572	0.7
262.22366	0.3
267.15970	1.0
269.17444	0.5
270.17697	0.5
275.20175	0.4
281.10611	0.3
281.17578	0.4
291.19595	0.4
296.47339	0.3
301.09064	0.9
301.16586	0.6
302.16626	0.4
303.15820	0.4
315.10495	0.5
333.24127	0.5
335.25833	1.0
336.26254	0.7
373.23840	0.4
379.19760	1.2
439.80457	0.3
460.66962	0.3
465.20947	11.4
465.27560	0.6
495.22238	1.0
527.37494	0.5
535.28729	4.8
537.22803	1.5
544.37109	0.8
545.38330	0.4
551.24451	0.4
562.38190	1.0
579.28491	0.4
597.38190	0.5
689.34857	0.4
759.42786	100.0
760.43225	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	759.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
56.96561	12.1
57.03418	0.5
61.02910	0.7
68.99795	0.3
69.03423	1.6
70.52782	0.2
71.01334	0.3
71.59493	0.3
71.95261	0.2
73.02913	5.4
74.97605	1.9
81.03371	0.4
81.72347	0.2
84.96027	1.2
85.02898	2.4
92.98645	0.5
95.04942	0.2
97.02889	1.6
97.96774	0.3
98.97569	0.3
102.97034	0.4
109.02865	0.6
111.00789	0.7
114.97066	0.3
115.03949	1.2
115.97821	0.3
116.98564	0.3
120.98090	0.2
121.02866	0.7
123.04418	0.3
127.03925	1.0
132.98051	0.8
133.04951	0.5
134.99667	0.3
137.02328	2.4
139.03923	0.2
145.04993	0.6
147.04437	0.4
149.02310	0.5
150.97961	0.4
150.99136	5.4
153.01804	2.5
163.03880	0.5
165.01808	1.6
166.02623	0.2
167.03502	0.2
169.00185	3.6
169.01692	1.1
170.02505	0.4
175.00948	0.3
177.02222	10.7
178.02699	0.2
182.82494	0.2
183.02882	0.7
187.02686	1.4
195.03279	14.6
196.34894	0.2
197.01207	0.5
198.01860	0.3
201.05405	0.8
203.00206	0.3
207.03282	1.4
208.99684	0.8
211.02776	0.7
213.04396	0.6
218.04851	0.7
219.06622	0.3
221.01151	1.4
223.02745	0.4
225.04298	0.8
229.05177	2.7
235.02730	1.9
239.02220	6.0
241.03728	0.4
247.05960	0.8
251.02180	0.3
253.03796	2.6
257.04202	2.2
267.07104	0.3
269.08441	0.2
271.04880	0.9
273.03415	0.2
274.04694	0.7
279.01736	4.6
285.03839	1.3
285.07867	0.7
293.03394	0.4
297.02798	7.6
297.07916	0.4
298.03021	0.4
303.04962	100.0
304.05194	0.3
307.06445	0.2
311.04410	0.4
315.03857	3.2
320.04373	0.5
325.07254	0.5
327.05127	0.3
345.06085	0.7
355.03369	4.3
367.04626	1.2
369.06149	0.4
373.04599	0.3
381.06393	1.4
385.06039	1.2
399.07437	1.2
403.06915	0.7
435.09134	1.0
443.06320	2.8
457.07993	0.9
461.07544	0.8
465.10284	24.9
519.08044	4.5
597.14197	0.4
627.15521	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	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.0
55.01878	6.5
55.05509	23.0
57.03438	10.8
59.95292	1.2
61.02913	2.8
65.03922	1.9
67.05501	69.3
69.03416	4.4
69.06712	2.4
69.07062	31.1
71.01333	1.7
71.04976	5.3
79.05490	53.4
81.03410	9.8
81.07052	90.4
83.04975	10.5
83.08616	18.9
85.02882	6.2
85.06530	3.5
91.05476	37.6
93.07038	68.5
95.04979	10.4
95.08048	2.2
95.08604	30.6
97.02891	3.3
97.06532	20.2
97.10176	7.8
99.08102	3.4
100.08389	1.3
105.07021	27.7
105.07681	2.7
107.04937	4.8
107.08591	41.3
107.37009	1.4
107.93449	1.3
109.02911	3.1
109.06506	7.8
109.10135	5.1
110.53054	1.3
111.08105	6.9
111.11684	1.7
113.09662	1.9
114.82021	1.4
117.07018	15.1
119.08580	15.5
121.06470	3.1
121.10139	25.2
123.08088	3.2
123.11710	4.7
125.09619	4.8
126.73141	1.3
127.03948	2.6
129.07028	3.2
131.08563	17.9
133.10112	18.2
135.08025	4.8
135.11703	16.0
141.07024	1.3
143.08572	3.0
145.10126	10.8
147.08084	1.5
147.11658	9.8
149.09619	9.8
149.13257	26.3
151.11191	2.7
155.08530	1.9
157.10153	5.0
159.11688	20.8
161.13226	2.6
163.11171	5.9
169.10150	1.5
171.11751	1.4
173.13248	3.9
174.93665	1.3
177.12711	7.7
179.14268	1.6
183.11732	2.0
189.11185	2.6
193.07759	1.1
193.12334	1.9
195.13814	15.7
197.13225	1.8
211.13208	2.8
213.14792	3.1
213.98050	1.3
227.12701	8.7
229.19501	2.3
239.17982	2.4
243.72775	1.4
247.20502	2.1
255.15826	3.0
257.18924	8.6
267.15982	2.5
269.17462	100.0
270.17816	2.2
275.20071	25.8
276.20306	1.7
285.16898	1.8
293.21255	2.7
331.22745	1.8
349.23700	21.5
365.23022	2.3
367.24716	1.8
423.27188	1.9
439.26767	2.4
447.30762	2.1
449.28998	27.6
463.30530	91.7
464.30917	3.4
523.82648	1.5
525.35773	2.2
543.36725	39.1
561.37714	9.2
607.34332	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01872	1.3
55.05257	0.9
55.05505	13.8
57.03445	5.9
57.07059	2.6
59.04994	0.8
61.02915	3.0
65.03938	2.0
67.05501	68.7
68.05811	0.9
69.03420	1.6
69.07063	12.8
69.25372	0.6
69.39603	3.6
69.40038	2.4
71.04990	18.1
72.08150	3.4
79.05487	34.9
81.03432	1.3
81.07053	91.9
82.07370	0.7
83.04980	4.4
83.08615	7.8
85.02901	2.7
85.06541	7.8
85.49533	0.6
87.30752	0.6
91.03942	1.1
91.05479	28.3
93.07040	38.9
95.04980	4.4
95.08602	28.4
97.02895	1.9
97.06511	5.0
97.10170	2.9
99.08104	1.7
105.07022	17.0
107.08589	21.4
109.06528	2.4
109.10143	15.4
111.08089	2.2
116.23515	0.6
117.07033	4.7
119.08567	9.6
121.10141	16.9
123.08038	1.3
123.11705	14.9
131.08549	7.8
133.10117	18.6
135.11671	10.0
139.11174	0.9
144.06468	0.7
145.10121	4.6
147.11705	2.6
149.13239	7.3
151.11195	7.3
157.10089	1.0
159.11685	5.7
161.13278	2.2
163.11163	0.7
163.14848	1.4
165.12827	0.7
166.25560	0.6
171.11699	0.8
173.13306	2.9
175.14943	0.9
177.12798	2.1
179.14420	0.7
183.13792	3.3
185.13193	0.8
187.13292	4.4
187.14807	1.1
195.13850	1.8
201.14728	0.9
202.23314	0.7
213.14813	0.8
227.16388	1.0
243.15906	1.2
243.21140	0.8
257.17523	1.2
259.20630	1.3
261.22122	2.1
269.17453	5.6
301.20062	18.0
317.24637	1.1
335.25787	33.4
336.26169	2.2
411.33020	1.0
485.36124	3.5
503.37299	100.0
504.37662	5.4
517.38928	3.4
529.38885	12.2
530.39575	0.9
561.41467	91.6
562.41937	5.4
589.47809	1.0
742.81744	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
53.38543	0.9
55.01861	3.8
55.05510	19.8
55.90723	1.0
57.03430	10.4
57.07063	3.4
61.02917	3.1
61.03616	0.9
63.60755	1.0
65.03922	1.1
66.76250	0.9
67.05500	59.9
69.03425	4.3
69.07064	26.8
69.30045	0.9
70.44067	2.2
70.44447	3.7
71.04980	5.5
72.99953	1.0
73.02888	1.1
79.05486	45.4
81.03416	5.8
81.07052	100.0
82.07378	1.5
83.04980	7.9
83.08620	16.7
85.02886	4.0
85.06531	4.1
91.03953	1.8
91.05473	29.2
91.08096	1.1
93.07040	53.8
95.04973	11.3
95.08600	29.7
97.02890	2.1
97.06528	13.1
97.10166	3.5
99.04482	1.1
99.08083	3.4
105.07021	21.9
107.04971	6.9
107.08588	31.9
109.06510	15.8
109.07711	1.0
109.10147	8.5
111.08073	7.1
117.07009	10.0
119.08575	17.1
121.06490	4.5
121.10130	23.0
123.08048	4.1
123.11707	6.3
125.09623	2.0
129.07001	3.7
131.05020	1.1
131.08557	14.9
133.10124	19.5
135.08015	2.9
135.11687	10.8
137.09590	2.2
139.11256	1.2
143.08553	1.4
145.10098	6.7
147.08017	1.4
147.11676	12.5
149.09599	7.7
149.13255	22.0
151.11163	3.0
155.08640	1.1
157.10120	2.8
159.11690	14.0
161.13278	2.1
163.11217	5.1
165.12778	2.8
171.11635	1.2
173.13330	2.3
175.11006	1.0
177.12778	6.8
179.14247	1.1
191.14362	1.0
193.12292	2.0
195.13795	8.7
197.13280	1.1
213.14847	1.9
215.18037	1.4
229.19540	1.9
239.18028	1.6
247.20555	3.0
251.16426	2.0
255.15829	2.0
257.19016	3.3
267.15900	2.4
269.17468	73.9
270.17819	2.5
275.20044	36.5
276.20612	1.4
289.39120	1.1
293.21164	6.8
349.23730	22.6
367.24771	16.0
417.29608	1.4
439.16550	1.0
445.29626	2.6
449.29095	9.3
463.30508	41.9
464.30688	2.1
497.14929	1.1
525.35809	2.2
543.36786	68.2
544.37085	3.6
561.37836	48.3
562.38025	2.5
607.33765	1.2
618.42810	1.2
759.38727	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	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01871	6.8
55.05259	1.6
55.05509	23.6
57.03436	12.2
57.07061	1.7
59.16270	1.0
61.02917	3.9
65.03940	2.8
67.05499	71.8
69.03429	6.9
69.07064	31.9
71.04985	7.3
71.08618	1.3
73.02913	2.6
79.05487	56.3
81.03416	9.5
81.07052	95.7
83.04971	11.5
83.08614	18.9
85.02902	7.7
85.06533	3.2
86.99290	1.1
91.03945	2.0
91.05473	40.1
93.07037	62.1
95.04954	11.8
95.08598	29.2
97.02878	3.4
97.06530	17.2
97.10155	6.3
98.21492	2.6
99.04484	1.4
99.08086	4.3
103.05427	1.0
105.07024	28.7
105.07743	1.4
107.04939	6.9
107.08585	41.0
109.06495	6.9
109.10148	9.7
111.08081	7.6
111.11701	1.3
115.05505	1.4
117.07018	13.5
119.08569	14.9
121.06493	4.0
121.10133	18.8
123.08073	3.0
123.11696	4.7
125.09602	5.0
127.03937	2.4
129.07030	3.5
131.08557	17.9
133.06473	2.5
133.10110	24.3
135.08041	3.2
135.11678	15.9
137.09607	1.3
139.07541	1.1
139.11183	1.3
143.08563	3.0
145.06535	1.5
145.10112	10.6
147.08061	2.1
147.11707	6.9
149.09593	9.8
149.13229	20.8
151.11211	3.9
151.36517	1.0
157.10121	3.4
159.11684	16.5
161.13272	2.8
163.11176	7.0
165.12737	1.3
171.11711	2.0
173.04430	2.3
173.13261	3.1
175.11276	1.0
177.12723	8.1
179.14325	2.6
183.11720	1.3
185.13147	1.4
189.11276	2.0
195.12157	1.9
195.13809	15.6
197.13245	2.0
201.12630	1.0
213.14856	3.6
227.12778	9.5
229.19453	1.5
239.18024	2.8
247.20732	2.0
251.16486	2.8
253.14417	2.0
255.15866	6.4
257.18970	7.3
267.15988	3.3
269.17459	82.1
275.20020	25.7
293.20865	1.8
331.22733	2.6
349.23697	25.1
365.23065	1.3
367.24707	3.4
413.21338	1.2
431.74622	1.0
439.26773	3.4
445.29352	2.8
449.28952	29.8
463.30515	100.0
464.30801	3.8
503.33640	1.7
505.43256	1.2
525.35773	2.2
543.36737	35.5
544.36334	2.4
561.37878	9.5
607.34576	4.4
759.38965	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	757.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.6
57.03437	2.5
57.07064	2.7
60.44771	0.7
61.02920	4.0
67.05507	2.0
69.03423	2.9
69.07066	1.2
70.85609	2.2
71.04993	1.2
71.08628	2.4
73.02905	2.5
78.37502	0.7
79.05482	1.7
79.26080	0.8
81.03419	4.0
81.07038	3.6
83.08617	2.1
85.02921	4.6
85.10164	1.4
91.03963	3.3
91.05479	2.3
93.07072	1.3
95.04985	1.9
95.08604	3.2
97.02889	3.6
97.06554	0.8
97.10170	1.2
101.02390	1.5
105.07047	1.1
107.08603	1.5
109.06544	0.8
109.10149	1.9
119.08588	1.3
121.06495	0.9
121.10155	0.7
127.03950	1.0
129.07005	1.1
131.08586	1.7
133.10132	1.1
149.09694	1.6
159.93867	0.7
193.12245	1.3
219.19588	0.8
239.04326	0.8
241.37074	0.8
243.08473	2.4
275.20062	0.8
283.15234	3.6
313.27533	1.3
315.16223	0.8
339.17978	1.6
497.30447	5.3
501.22995	11.4
502.22971	0.9
585.45251	1.6
657.97626	1.0
731.20587	0.9
757.47046	100.0
758.47424	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	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.5
55.01854	6.1
55.05510	39.2
57.03435	23.9
57.07050	3.1
61.02920	6.0
65.03934	4.4
67.05499	85.9
69.03413	9.2
69.07068	29.9
71.04977	9.4
79.05488	83.7
81.02974	4.4
81.03417	63.8
81.07053	91.1
83.04968	22.0
83.08614	35.2
85.02901	30.5
88.87798	2.8
89.55390	2.4
91.03968	3.0
91.05474	100.0
91.68307	2.5
93.07043	81.7
95.04961	33.3
95.08603	47.9
97.02876	4.7
97.06513	14.0
97.10162	19.4
98.08062	2.8
99.08096	4.6
105.07030	91.5
107.04939	11.5
107.07873	3.1
107.08588	59.0
109.06499	10.8
109.10138	13.2
111.08089	17.6
113.05949	3.5
113.09622	2.9
115.05466	2.9
116.03294	3.2
117.07042	23.8
119.07783	5.6
119.08578	67.4
121.10136	35.3
123.08076	6.9
123.11704	9.6
125.09628	16.3
129.07001	24.3
131.08542	41.4
133.06470	3.7
133.10117	54.6
135.08005	4.7
135.11696	20.2
142.07777	5.8
143.08554	8.7
145.10115	36.5
147.08000	7.0
147.11678	44.6
149.09616	14.3
149.13222	17.9
155.08601	3.8
157.10117	24.5
159.11678	22.8
161.13245	23.6
163.11145	3.8
165.12709	4.1
169.10187	4.1
171.11717	15.7
173.13217	13.3
175.11180	14.2
175.14754	7.7
177.12766	4.3
183.11572	5.2
185.13199	13.6
187.14810	3.5
189.11198	6.4
193.12251	39.2
195.13824	7.0
197.13266	3.9
199.14871	8.7
211.13257	52.5
227.12782	22.0
229.14259	3.8
231.21036	4.4
241.19510	19.4
257.19067	5.4
259.20538	57.3
267.15845	23.8
269.17456	32.8
275.20148	13.3
283.15344	5.0
285.16931	54.4
309.21686	3.1
315.23105	7.0
331.45581	2.8
333.24213	54.1
335.25800	3.5
349.23703	11.9
392.02130	3.1
405.06396	2.9
433.30649	7.6
439.27002	13.3
445.75888	3.1
451.31870	3.9
463.30646	9.1
469.32721	5.4
525.29932	2.6
525.35883	22.6
543.36829	95.4
544.37109	5.1
561.37366	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	757.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01866	0.8
55.05514	1.8
57.03436	1.1
58.18909	0.3
61.02924	4.4
63.35863	0.2
67.05507	4.5
69.03422	2.5
69.07064	3.7
71.01354	0.4
71.04980	0.8
73.02915	2.9
76.00865	0.3
79.05490	5.6
81.03412	2.3
81.07056	5.3
83.04968	1.3
83.08630	0.9
85.02894	3.4
85.33787	0.2
91.03972	1.9
91.05475	6.1
91.06007	0.5
93.07041	5.2
93.07620	0.3
93.10013	0.3
95.01340	0.4
95.04966	1.6
95.08604	3.2
97.02885	3.0
97.06537	0.6
97.10191	0.6
97.44084	0.3
98.20716	0.7
99.04447	0.6
101.02367	1.8
103.03939	0.3
104.77110	0.2
105.04504	0.3
105.07027	4.9
107.04954	1.6
107.08586	1.7
109.02878	0.8
109.06509	0.6
109.10194	0.8
111.04530	0.3
111.08117	0.3
115.05437	0.4
115.41861	0.3
117.07034	1.0
119.08575	3.4
121.10165	0.7
123.08113	0.3
125.09677	0.4
127.03944	1.0
129.05443	0.3
129.07010	1.0
131.08569	1.3
133.10103	2.3
135.08047	0.3
135.11687	0.9
137.09641	0.3
139.07544	0.3
143.08578	0.7
145.10155	1.4
147.08098	0.3
147.11671	2.5
149.09630	0.8
151.11209	0.3
159.11726	0.8
161.13321	0.8
163.11165	0.6
171.11716	1.5
173.13319	0.4
177.12758	0.3
179.14374	0.8
189.12773	0.3
203.05386	0.4
229.27539	0.3
243.08344	3.1
247.13159	1.1
275.20023	0.6
281.17657	0.3
303.15668	0.5
315.19330	3.3
371.22119	0.7
380.92166	0.3
465.20923	8.9
533.27216	8.5
560.36487	0.3
572.60883	0.3
595.36011	0.6
623.96686	0.3
757.41272	100.0
758.41748	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	757.2177
Annotation	Quercetin 3-rhamnosyl-(1->2)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
55.01862	0.6
55.05502	1.0
57.03435	4.0
61.02906	0.5
69.03420	4.6
69.58978	3.4
71.01328	0.5
71.04989	23.7
73.02920	2.1
75.04469	1.1
75.97212	0.5
77.30513	0.4
81.03426	0.6
83.04975	4.8
85.02899	32.2
87.04456	0.9
95.04948	0.8
99.04439	0.8
109.02841	0.5
111.00793	1.0
111.04430	2.9
117.05452	1.0
121.02864	1.0
127.03887	1.4
129.05466	9.4
137.02353	4.0
137.06015	0.5
140.76196	0.4
142.13959	0.4
145.04933	0.8
147.04373	0.5
147.06485	2.4
149.05896	0.4
153.01851	3.2
153.05423	1.4
154.46687	0.4
157.04976	0.4
163.03946	0.9
163.06001	0.9
165.01869	2.1
180.20187	0.4
183.02980	0.8
195.02951	0.7
201.05412	1.3
201.07494	0.4
219.06549	0.5
229.04964	2.9
239.09116	1.5
247.05992	1.2
257.04462	2.2
274.04602	0.5
285.03998	1.1
287.05469	0.7
299.05664	0.9
302.04065	0.6
303.04971	100.0
304.05295	1.3
313.57220	0.5
315.04926	4.7
316.05783	0.8
327.04919	1.8
341.06418	0.9
345.06015	8.4
353.06604	0.9
357.06070	0.5
367.08261	0.6
369.06015	3.8
395.07529	1.5
413.08725	4.2
431.09714	3.1
449.10849	6.8
450.80560	0.4
465.10275	26.8
466.11053	0.8
507.11288	2.4
575.13617	1.4
593.14642	1.0
611.15845	7.0
634.60498	0.4
643.81610	0.5
733.60620	0.5
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
53.00298	2.8
53.03946	4.8
55.01882	3.3
55.05508	25.4
57.03445	11.9
57.07059	2.9
59.05005	2.0
61.02920	4.3
65.03921	2.4
67.05504	54.6
69.03419	2.3
69.07063	13.5
71.01385	2.1
71.04997	4.2
71.59631	1.6
71.60020	2.0
72.08146	3.2
77.01149	1.8
79.05493	40.6
81.03416	11.1
81.07058	64.8
83.04980	5.5
83.08617	12.7
85.02894	5.1
85.06523	2.2
91.03950	2.3
91.05479	39.6
93.06110	1.8
93.07044	46.9
95.04972	8.0
95.08604	35.7
95.09224	1.8
95.22635	1.5
97.02895	6.7
97.06510	4.0
97.10160	4.4
99.00808	17.2
99.08086	2.2
103.05441	2.2
105.07023	32.2
107.04959	7.1
107.08585	28.4
109.02864	10.7
109.06502	4.2
109.10164	17.3
111.08076	4.7
115.03920	4.4
117.07003	8.0
119.08583	19.1
121.06511	5.6
121.10143	17.8
123.11707	7.8
125.09538	1.7
127.03942	3.4
129.07034	2.1
131.08565	12.2
133.10127	35.7
135.11707	11.0
139.07533	1.8
143.08519	3.0
145.10153	6.3
147.08037	2.4
147.11708	6.9
149.09636	2.5
149.13271	7.6
151.11168	10.8
159.11688	6.8
161.09610	14.9
161.13225	4.6
171.08044	3.5
173.13264	3.7
175.14828	2.1
179.10689	9.3
189.09151	7.1
189.11214	1.6
193.12260	3.3
197.11763	2.2
207.10091	2.5
211.13240	4.3
213.16579	1.8
225.11186	10.8
243.12286	2.4
243.21101	3.7
246.78430	2.0
261.22171	22.6
267.15909	4.8
279.05646	1.6
281.13882	2.4
285.17059	7.4
299.14899	78.5
317.25073	3.6
335.25787	100.0
336.26102	3.5
449.30322	2.7
467.31497	4.6
513.35632	2.2
541.35382	6.4
545.38287	13.2
559.36255	48.7
570.82227	1.8
577.37994	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	756.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01868	4.7
55.05506	17.8
55.05760	0.6
57.03432	10.1
57.07037	1.5
61.02881	2.0
65.03909	1.7
67.05499	42.3
69.03421	6.3
69.07062	28.0
71.04980	5.0
71.08586	0.5
72.08110	0.7
73.02879	1.0
77.03874	0.5
79.05486	31.1
81.03416	5.1
81.07050	47.3
82.07366	0.5
83.04984	5.4
83.08612	12.1
85.02872	1.5
85.06522	3.2
91.03927	0.6
91.04900	0.6
91.05473	20.8
93.07034	38.7
94.07361	0.7
95.04362	0.5
95.04961	8.7
95.08596	16.2
97.02886	7.0
97.06522	8.0
97.10164	10.2
97.34426	0.4
98.20738	0.8
99.08057	1.5
103.05470	0.5
104.00162	0.4
105.04469	0.6
105.07014	13.0
107.04943	5.9
107.08583	23.0
109.02848	0.6
109.06516	2.9
109.10133	6.5
111.04403	1.1
111.08084	5.0
113.05960	0.5
115.05389	0.7
116.38257	0.4
117.07007	8.3
119.04946	1.2
119.07797	0.7
119.08571	10.6
121.06480	3.9
121.09328	0.9
121.10136	12.4
123.04445	0.5
123.08037	2.7
123.11661	2.0
125.09610	7.3
127.03887	0.6
128.06203	0.7
129.06966	3.0
130.07826	0.6
131.08557	8.9
133.06483	3.1
133.10126	9.6
134.07275	1.1
135.08070	4.2
135.11696	5.1
136.71393	0.4
137.09595	1.6
141.06938	0.6
143.08513	3.1
144.09409	0.4
145.10092	4.3
147.08043	4.5
147.11688	3.7
148.08649	0.6
149.09555	1.7
149.13243	18.5
149.31329	0.5
150.13518	0.5
151.11118	1.2
153.09058	1.2
157.10126	2.9
159.07996	0.6
159.11678	8.5
161.09573	1.7
161.13213	0.7
163.11119	2.1
165.09062	1.2
165.12695	0.9
167.14261	0.5
169.12231	0.5
171.11642	1.1
173.09550	0.5
173.11818	0.5
173.13220	0.4
175.11186	2.3
177.12671	4.3
179.10582	0.4
181.10042	0.7
185.13298	0.7
187.11176	0.5
189.11237	3.2
189.12762	0.6
193.12201	1.6
195.11891	0.7
195.13782	8.7
205.12254	1.0
211.13190	1.2
213.14806	1.3
223.13271	15.3
227.12729	3.4
227.18010	0.6
245.18983	1.3
249.14955	3.0
253.14389	0.9
254.21722	0.5
255.17398	0.7
261.14838	0.4
267.15927	1.8
269.17456	66.3
270.17831	2.0
273.18466	12.5
274.18973	0.6
275.19983	1.4
283.15323	0.5
285.16974	1.2
291.19507	77.5
292.19849	2.4
309.20435	0.9
315.23215	0.6
347.22025	2.5
349.23407	0.6
365.23203	30.4
366.23575	1.4
439.26846	1.7
461.29114	1.5
477.28854	0.5
479.30029	3.1
480.17059	0.5
491.29965	0.8
541.35175	3.3
559.36249	100.0
560.36652	5.5
577.37238	0.8
633.04596	0.6
650.10443	0.4
662.50726	0.5
777.12958	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01865	6.8
55.05265	1.7
55.05511	23.1
57.03435	7.7
57.07068	1.9
61.02913	1.9
65.03936	3.3
67.05502	68.4
69.03438	8.6
69.07066	31.6
71.04996	6.1
71.51515	1.4
72.08139	3.7
75.79873	1.1
79.05489	40.5
81.03413	8.9
81.07053	72.9
82.07413	1.1
83.04970	9.4
83.08616	13.7
85.02905	2.9
85.06525	5.3
91.05477	39.8
93.07041	49.5
95.04967	13.6
95.08599	21.7
97.02879	6.5
97.06521	10.5
97.10181	9.8
99.08042	1.6
105.07027	28.7
107.04955	9.7
107.08589	36.2
109.02826	1.5
109.06534	6.3
109.10150	21.3
111.08131	5.5
116.06298	1.1
117.07011	12.0
119.08574	13.7
119.19584	1.3
121.06494	4.8
121.10146	14.2
123.08046	3.3
123.11676	6.4
125.09644	5.6
129.06987	4.0
131.08557	13.5
133.06496	3.4
133.10121	33.5
135.08038	6.8
135.11696	8.5
137.09560	2.5
139.07545	1.3
143.08531	4.5
145.10110	7.2
147.08038	5.4
147.11665	4.8
149.09612	6.1
149.13248	14.1
151.11153	10.4
157.10112	4.5
159.11685	8.4
161.09587	4.3
161.13252	2.0
163.11154	3.0
165.09120	1.1
169.12196	2.1
171.11647	2.2
175.11212	3.4
177.09074	2.0
177.12738	5.0
179.10674	2.1
184.07323	1.3
185.13213	1.3
193.12204	3.0
195.13797	10.9
213.14868	1.5
215.12694	1.3
223.13283	9.8
227.12843	2.6
234.47330	1.1
245.19041	3.2
249.14848	2.3
251.12709	1.7
253.14351	31.0
255.17284	1.7
263.20139	1.5
267.15790	1.8
269.17465	61.9
273.15768	2.1
273.18506	22.6
275.19974	1.4
283.15128	1.2
288.82364	1.3
291.19528	68.3
302.21478	1.2
309.20364	2.0
310.24304	1.2
340.44806	1.2
347.22266	6.7
365.23203	33.1
463.26630	2.2
465.28583	9.4
478.58304	1.4
479.29736	2.8
541.35388	7.4
559.36292	100.0
560.36591	3.8
577.36737	1.4
757.40869	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	756.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01858	3.8
55.05508	14.7
57.03433	9.6
59.05000	1.0
67.05167	1.3
67.05498	19.5
69.03426	4.2
69.07066	5.9
70.02930	5.0
71.04964	3.7
71.10315	0.7
79.05487	25.2
81.03413	53.7
81.07050	19.8
83.04984	5.1
83.08612	16.2
85.02892	1.0
85.06529	1.9
91.05481	15.6
93.07034	17.3
95.04963	20.5
95.08606	9.4
97.02880	2.6
97.06523	3.5
97.10161	16.7
100.04651	0.9
105.07027	14.1
107.04958	13.7
107.08582	13.2
109.06507	9.5
109.10146	5.7
111.04402	1.6
111.08061	5.3
115.05488	1.1
117.06992	6.6
119.04893	1.6
119.08591	9.1
121.06499	9.0
121.10147	8.8
123.04443	2.0
123.08041	4.8
123.11678	1.0
125.09624	15.5
129.06999	9.3
129.07896	1.3
131.04915	2.7
131.08560	10.2
133.06490	5.0
133.10156	4.6
135.08034	6.2
135.11702	2.6
137.09584	1.6
141.06947	1.7
142.07779	2.1
143.08571	2.0
145.06462	7.5
145.10098	5.1
147.04361	1.3
147.08066	5.1
147.11688	7.0
149.09608	4.9
153.09082	3.2
153.12772	1.5
155.08527	1.9
157.06520	1.5
157.10098	8.2
159.08066	1.9
159.11713	1.3
161.05977	1.6
161.09651	2.1
163.07585	0.9
163.11234	4.0
165.12767	2.2
167.10622	1.6
169.10075	2.1
171.08044	2.0
171.10318	1.0
171.11702	2.9
173.09578	2.0
173.13304	1.9
175.11194	6.7
177.12724	2.1
183.11623	1.1
187.11192	1.6
187.14778	1.2
189.11203	7.8
189.12724	1.4
191.14282	1.2
193.12231	17.9
195.11673	1.5
197.09688	1.6
197.13225	1.9
199.11279	2.0
199.13199	1.9
203.14255	1.1
205.12207	1.7
211.11259	1.6
211.13199	1.6
213.12701	1.6
215.14331	2.9
219.13794	4.2
223.11095	0.9
223.13187	1.4
227.12691	2.7
231.13722	2.0
233.15323	5.9
235.13123	1.3
237.12709	1.5
237.14899	1.1
239.14240	1.0
241.14244	1.0
245.15366	1.4
249.14987	1.4
255.13776	2.1
259.13318	2.0
267.15894	40.3
273.14716	6.3
275.16425	1.1
293.17554	1.8
321.22092	1.3
339.23157	3.1
349.21500	5.0
357.24106	2.0
367.22690	15.7
385.23706	24.5
403.24814	9.6
441.26337	9.8
459.27374	100.0
460.27832	2.1
477.28455	88.6
478.28479	1.9
491.30042	12.6
501.28259	2.4
509.31482	6.1
541.33673	1.0
567.29608	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	754.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.5
55.05505	23.4
57.03433	9.9
57.07082	4.1
65.17545	3.2
66.00085	3.1
67.05506	56.1
69.07066	17.2
69.83723	10.9
69.84122	5.8
79.05492	80.7
81.03425	6.0
81.07052	59.5
83.04984	12.0
83.08609	5.7
85.02925	3.1
91.05479	93.5
93.07047	100.0
95.04962	24.1
95.08603	43.3
99.08129	4.7
105.07029	75.8
107.04962	7.0
107.08591	33.2
109.06493	6.2
109.10148	11.6
117.07037	16.3
119.08577	60.4
121.10154	18.4
123.08095	6.9
129.07010	23.3
131.08527	22.7
133.10126	41.3
135.11722	14.7
139.07608	3.9
143.08543	17.3
145.10126	33.3
147.07893	3.5
147.11696	61.1
149.13307	11.3
151.03563	3.3
155.08516	4.6
157.10129	8.2
159.11668	16.8
161.13248	34.2
170.07312	3.3
171.11710	35.0
173.13246	9.9
175.14841	13.3
185.13312	4.3
186.09955	3.7
187.14851	4.1
189.12776	10.1
199.14871	6.1
207.13820	17.1
231.21201	4.6
241.19495	28.7
257.19003	6.9
259.20584	57.1
277.21625	3.9
279.15955	22.5
281.17447	65.5
314.11948	3.8
315.22971	6.6
333.24225	53.0
415.23279	3.7
447.32578	10.0
465.33929	4.9
535.38995	3.7
539.37311	73.3
557.38293	27.8
584.55573	3.9
670.04102	3.8
714.79047	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	754.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.1
54.65224	4.8
55.01855	8.5
55.05517	29.1
55.05735	7.2
57.03421	20.8
65.03947	5.7
67.05176	5.3
67.05505	76.1
69.07056	20.2
70.04565	3.8
71.04987	7.8
72.08154	24.2
79.05489	100.0
80.64645	4.7
81.03398	14.5
81.07052	85.0
83.04973	17.8
83.08609	18.6
85.06552	4.6
91.05476	94.0
93.07035	84.9
95.04955	22.6
95.08599	49.8
97.06545	7.6
103.05431	5.6
103.68465	4.4
105.07025	84.4
107.04900	11.8
107.08588	37.0
109.06493	8.6
109.10121	9.7
117.07011	28.1
119.08581	74.1
121.06523	5.7
121.10152	18.6
123.08045	11.1
129.07031	26.7
130.43764	4.6
131.08562	25.2
133.10126	47.0
135.11691	20.2
143.08556	10.9
145.10126	37.0
147.08018	4.9
147.11681	63.0
149.13243	11.8
157.10114	16.1
159.11668	21.0
159.33249	4.6
161.13240	41.0
171.11699	31.5
173.13184	14.8
175.14784	19.1
185.13269	9.0
187.11276	8.5
189.12691	11.5
199.14812	6.0
207.13803	16.5
229.43973	7.1
231.20952	5.1
241.19559	25.3
259.20560	69.6
279.15918	16.9
281.17435	90.2
315.23300	6.9
333.24176	39.6
465.33725	5.6
539.37396	60.9
557.38782	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	753.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.2
55.01872	18.8
55.05263	3.0
55.05509	38.0
57.03439	27.3
61.02917	4.4
62.55001	2.9
65.03937	7.3
67.05499	98.9
67.12828	2.8
69.03430	31.0
69.07066	22.3
70.04256	3.2
71.01350	7.7
71.04991	16.8
71.60027	4.5
73.02912	7.6
77.03920	3.8
77.84489	3.0
79.05486	70.7
81.03413	100.0
81.07053	88.5
83.04980	36.1
83.08612	27.3
84.63564	3.0
85.02892	24.1
85.06540	9.5
91.03929	4.4
91.05477	81.3
93.07037	61.8
94.20129	2.7
95.01311	4.3
95.04966	81.5
95.08599	39.7
97.02884	26.6
97.06512	15.0
97.10168	10.1
99.04478	6.1
99.08050	5.7
103.05481	5.6
105.04516	3.3
105.07032	53.1
107.04945	56.0
107.08585	28.3
109.02876	10.5
109.06509	41.9
109.10146	25.3
110.07317	3.1
111.04424	23.0
111.08091	12.6
111.50534	2.5
113.06013	11.6
115.05433	8.1
117.07011	22.9
119.04890	4.9
119.08566	41.6
120.05777	3.4
121.06486	19.0
121.10140	21.7
122.07304	12.2
123.04411	8.4
123.08060	12.0
123.11721	5.9
125.05972	3.3
125.09642	12.3
127.03890	13.9
128.06203	8.6
129.05499	7.7
129.06999	27.8
131.04935	4.1
131.08568	37.2
133.06483	18.3
133.10124	23.2
135.04436	3.9
135.08052	18.2
135.11681	14.1
137.05943	4.8
137.09608	8.1
141.07010	5.7
143.08556	19.5
145.06491	12.6
145.10115	26.9
147.08058	21.3
147.11688	17.4
149.09599	13.7
149.13242	7.5
151.11157	5.2
155.08513	5.3
157.10136	17.1
159.08060	7.0
159.11731	14.9
161.09610	19.2
161.13246	3.5
163.07584	3.5
163.11192	12.0
165.09091	3.6
165.12785	5.1
169.10123	6.1
171.11751	8.1
173.04417	5.4
173.09636	5.5
173.11865	3.8
173.13292	5.7
175.11168	13.8
177.12735	5.6
183.11685	4.1
185.13269	3.8
187.11168	8.2
187.14801	3.8
189.11235	3.3
191.10672	6.4
192.77979	3.1
193.12234	44.4
197.13277	3.1
203.14349	6.5
205.12233	4.6
205.15915	2.8
209.11670	3.4
210.51431	2.7
211.13251	52.2
227.12802	9.1
227.17996	4.1
229.14317	4.3
233.15382	9.5
249.14789	6.8
251.16539	3.7
261.18411	3.9
267.15912	35.1
273.18546	25.7
275.20132	5.3
279.15909	8.8
283.15573	4.0
285.16882	18.9
289.14975	2.7
289.17877	15.9
290.18777	9.1
291.19547	21.3
307.19226	7.9
323.18481	7.9
335.18704	4.1
347.21939	6.4
349.23804	3.6
353.15668	3.6
363.21652	5.9
365.23154	4.3
381.22723	25.8
398.26395	2.9
411.19855	3.0
421.10962	3.2
422.18436	3.4
429.21140	25.8
439.26633	7.8
456.30194	3.2
465.67642	3.4
515.29889	4.3
533.30859	5.3
541.34723	3.7
544.36908	7.7
559.36176	5.5
561.80115	3.3
573.34106	29.3
591.35571	8.7
651.25104	3.5
718.38342	3.5
735.39404	20.8
753.38470	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	753.404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.3
55.01871	14.3
55.05301	3.2
55.05510	39.8
57.03440	20.6
59.04984	4.9
65.03930	4.2
67.05499	92.0
69.03429	25.0
69.07059	19.5
69.91922	16.3
71.01357	6.5
71.04983	11.7
72.08154	19.0
73.02923	3.2
74.64737	2.6
75.52221	2.5
79.05057	3.6
79.05492	50.7
81.03413	100.0
81.07046	55.6
82.07370	3.7
83.01329	4.2
83.04974	26.6
83.08609	22.8
85.02898	43.8
85.06511	5.5
91.05475	41.8
93.07032	37.1
95.04971	36.7
95.08605	28.6
97.02903	30.1
97.06527	11.8
97.10184	14.9
98.21422	4.4
99.04428	8.1
99.08073	6.7
105.07024	30.6
107.04961	16.0
107.08597	24.6
109.02867	18.7
109.06495	14.2
109.09451	5.5
109.10149	56.9
110.70483	3.0
111.04436	12.9
111.08057	12.8
113.06033	4.8
115.05444	3.6
117.07028	15.8
119.08578	26.7
121.06525	5.3
121.10152	12.7
123.04432	6.5
123.08064	6.1
125.09608	15.2
127.03899	10.1
129.05492	4.3
129.07007	14.4
131.03448	3.7
131.07724	2.9
131.08549	17.8
133.06438	4.6
133.10107	15.1
135.08040	7.1
135.11635	5.5
137.09622	3.9
143.08606	7.4
145.10146	7.9
147.08018	8.0
147.11690	20.8
149.09618	7.3
151.11221	4.5
153.12810	4.2
155.10799	3.9
157.10155	12.5
159.11642	5.4
161.13437	3.5
163.11179	9.1
165.12813	4.5
171.06458	3.8
171.11678	5.4
173.04462	11.2
173.11742	14.9
175.11163	11.7
181.12186	3.1
182.88040	3.7
189.12810	4.7
191.10606	3.3
193.12241	40.8
201.12776	4.9
201.61598	2.9
209.11627	4.2
211.05949	3.4
211.13280	42.7
217.12221	4.0
217.14337	3.2
223.13252	3.4
227.12811	9.3
229.14360	22.6
235.13219	5.2
267.15851	17.0
269.12314	5.2
269.17502	5.1
273.14523	3.5
273.18481	7.3
277.14417	3.4
285.09848	3.5
285.16977	6.3
291.19434	9.6
309.16968	6.5
313.16461	3.5
387.10568	3.0
409.18564	3.6
439.26837	40.4
496.34241	3.2
519.33240	5.0
609.33893	3.4
681.03156	3.4
753.40625	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.05503	7.1
57.03438	13.8
57.07072	31.8
63.21218	2.1
67.05498	13.7
69.07059	10.5
69.26261	24.6
71.04988	3.8
71.08634	21.5
72.08143	5.0
79.05473	7.4
81.03408	62.3
81.07043	16.5
83.08617	17.5
85.10168	9.1
91.05476	12.6
93.07027	6.8
95.04976	19.7
95.08607	17.4
97.02882	2.9
97.06534	2.0
97.10172	3.7
98.21478	4.7
105.07013	9.3
107.04940	4.4
107.08583	3.2
109.06485	2.9
109.10157	8.4
111.08089	4.6
115.05454	2.3
117.07034	2.6
119.08582	7.5
121.10139	5.9
123.08183	2.0
123.11637	2.5
129.06982	6.3
131.08560	5.9
133.10130	4.4
145.10118	2.9
147.08075	2.1
147.11708	5.7
149.09647	4.6
157.10130	8.1
175.11185	8.3
193.12267	18.7
214.06905	2.0
257.24759	2.1
264.46094	2.3
267.15900	98.8
313.27344	100.0
457.41589	2.8
505.38876	79.4
506.39096	2.5
547.39844	4.4
601.40588	2.3
653.05536	2.4
752.47858	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	752.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.01862	3.5
55.05508	17.2
55.95030	1.7
57.03430	4.8
65.03948	3.0
67.05497	40.1
69.03414	2.3
69.07056	14.1
69.29330	18.6
71.04975	3.6
72.08163	5.9
79.05489	47.6
81.03407	6.5
81.07052	34.1
83.04992	8.5
83.08619	6.4
91.05470	47.3
93.07036	42.4
93.76545	1.8
95.04972	11.6
95.08601	26.4
97.06519	5.3
97.10162	3.4
99.08076	2.0
103.05472	2.0
105.07024	50.4
107.04938	5.1
107.08585	17.7
109.06510	5.3
109.10154	9.5
113.71056	1.6
115.05446	1.7
117.07017	18.0
119.08573	43.6
121.06539	4.2
121.10128	8.9
123.08092	2.3
123.11652	3.4
128.06215	2.6
129.06998	11.5
131.08578	15.9
132.31793	1.6
133.06471	2.3
133.10121	39.7
135.08049	5.1
135.11708	4.9
137.09593	4.6
141.07051	2.1
143.07561	1.7
143.08568	7.6
145.10118	14.7
147.07991	2.5
147.11661	25.8
147.66275	1.7
149.09628	5.8
149.13359	2.2
151.11201	1.9
155.08583	3.9
157.10155	5.5
159.11690	10.8
161.09575	4.2
161.13258	8.5
163.11159	2.6
169.10123	4.4
171.11723	12.7
173.09644	2.6
173.13292	6.8
182.10951	1.8
183.11719	4.1
185.13193	2.9
187.14847	2.1
189.12682	2.3
197.13190	2.0
207.13837	5.4
229.19502	2.1
239.17920	3.9
247.20567	3.0
257.18982	7.4
275.20050	60.2
281.17450	51.1
293.21188	2.2
311.93454	1.9
349.23727	15.2
537.35815	2.0
555.36768	100.0
752.48358	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	752.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.9
55.01869	10.9
55.05507	11.0
57.03431	3.3
61.02892	0.6
64.73959	0.6
65.03931	1.7
67.05502	25.8
69.03426	1.3
69.07065	13.2
70.84552	1.6
71.04980	1.9
72.08153	1.8
73.06542	0.8
79.05491	25.0
81.03407	5.5
81.07053	27.2
83.04979	6.2
83.08612	4.3
85.02897	0.8
85.06542	0.8
91.05475	32.0
93.07040	25.8
95.01328	4.0
95.04967	9.7
95.08598	16.9
96.08864	0.6
97.02911	0.7
97.06527	20.9
97.10163	1.9
103.05463	1.1
105.04476	0.7
105.07026	39.3
107.04945	10.5
107.08592	10.5
109.06516	2.5
109.10159	4.4
111.08060	0.8
113.09637	0.6
117.07019	7.9
119.08572	19.7
121.06512	2.1
121.10155	3.5
123.04442	0.9
123.08066	3.5
123.11678	1.1
125.09538	0.8
128.06245	1.0
129.06979	5.3
131.08543	8.5
133.10121	17.6
135.08025	2.5
135.11691	3.4
137.09573	1.6
139.07565	0.7
141.06985	1.3
143.08534	2.9
145.06548	0.8
145.10115	9.3
147.08041	0.8
147.11673	14.3
149.09630	3.5
149.13271	1.5
151.11154	1.1
155.08601	1.3
157.10123	1.6
159.11646	3.2
161.09584	1.0
161.13235	5.6
163.11143	3.4
165.09070	1.0
169.10106	1.5
171.11693	6.7
173.13274	1.8
175.11214	0.8
177.12753	2.0
179.14273	6.0
187.11183	1.3
189.12778	2.6
205.12230	0.7
207.13783	4.9
219.13745	0.8
239.18007	0.9
241.14299	0.7
247.20633	1.8
257.19019	2.6
263.16443	1.2
275.20047	44.0
279.15845	3.3
281.17462	28.6
293.20966	3.2
322.11691	0.8
338.21771	0.6
349.23712	20.7
377.23276	0.7
459.31216	0.9
537.35193	2.9
543.89111	0.6
555.36804	100.0
556.37134	2.1
573.37415	1.3
613.68408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.7
55.01875	13.1
55.05507	43.9
55.60900	2.3
56.94162	2.5
57.03440	12.0
57.07064	3.1
61.02913	3.2
65.03927	5.4
67.05499	94.5
68.05813	2.7
69.03419	22.9
69.07069	29.7
71.04995	6.4
72.08151	16.0
79.05485	100.0
81.03413	46.2
81.07053	81.5
83.04978	24.2
83.08615	25.8
85.02910	16.9
91.04893	3.2
91.05473	89.0
93.07038	97.3
93.07627	5.6
94.07332	3.1
95.04958	52.8
95.08597	48.2
97.02895	12.3
97.06529	10.6
97.10164	26.4
99.04441	4.1
103.03945	2.8
103.05485	4.5
105.07017	66.5
107.04936	16.3
107.08590	33.6
109.02886	4.7
109.06483	15.3
109.10150	16.4
111.04449	6.8
111.08081	9.6
115.05462	5.5
117.06997	25.4
119.04940	2.8
119.08575	44.6
121.06483	11.7
121.10159	12.8
123.04446	3.7
123.08063	42.7
123.11721	8.2
125.09636	18.9
127.03889	5.2
128.06261	5.9
129.06993	29.5
131.08553	31.2
133.06514	6.8
133.10123	22.1
135.08051	11.6
135.11693	9.3
137.09605	8.2
141.06940	4.7
141.09105	3.0
142.07729	3.1
143.08554	16.2
145.06480	6.0
145.10085	23.2
147.08052	21.5
147.11674	37.9
149.09641	7.0
149.13210	5.5
151.07648	2.7
153.09169	3.3
155.08563	5.8
157.06604	3.2
157.10144	9.9
159.08060	5.2
159.11693	8.7
161.09628	9.8
161.13242	12.7
163.11205	9.0
165.09097	4.2
167.08571	3.2
169.10136	5.7
169.12225	6.7
171.08052	2.5
171.11673	29.1
173.04410	3.1
173.13228	4.8
175.11154	9.9
177.12779	6.1
179.08421	2.8
181.10168	4.4
183.11723	4.9
185.09721	3.5
185.13275	4.6
187.11392	3.6
187.13275	11.1
189.11476	12.2
189.12790	11.7
191.10774	3.0
193.10623	2.9
193.12195	12.8
195.13763	2.4
197.13248	5.1
207.13780	26.8
211.13245	9.3
219.13789	3.3
223.13258	10.8
225.14838	5.0
227.12660	18.2
243.15924	2.8
245.13850	3.5
245.19182	4.4
249.14790	5.0
255.17509	4.5
267.15860	12.1
273.18472	36.3
275.20026	5.6
279.15897	4.5
281.17462	65.5
282.17868	5.6
285.17087	3.0
287.16415	8.5
291.19510	85.6
292.19827	3.9
347.22311	5.2
365.23163	34.9
365.27350	3.8
383.24094	4.9
425.21210	4.9
451.26831	4.6
473.29172	17.0
491.29858	7.6
553.34839	9.1
571.36273	78.9
572.36951	4.0
589.37225	9.0
733.42596	3.3
751.41278	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	749.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.5
55.01869	18.0
55.05503	27.4
57.03436	23.0
59.31589	2.6
61.02927	3.0
65.03929	6.8
67.05502	100.0
67.52039	2.6
69.03431	18.7
69.07076	16.6
69.30183	11.7
69.30612	19.0
71.01353	11.3
71.04989	7.6
72.08150	8.4
79.05492	95.2
81.03416	39.2
81.07058	84.4
83.04987	31.0
83.08609	12.0
85.02905	10.9
85.06531	7.2
91.05477	89.8
93.07042	84.1
95.01338	9.5
95.04969	59.2
95.08601	51.6
97.02900	17.9
97.06533	12.3
97.10166	7.6
98.20715	5.5
99.04444	8.5
99.08118	3.0
103.05485	5.4
105.06369	5.5
105.07030	66.9
107.04955	51.4
107.08588	33.3
109.02888	8.9
109.06503	27.3
109.10149	16.6
111.04409	13.3
111.08070	9.4
113.05996	7.0
113.71608	3.0
115.03932	7.4
115.05459	5.7
117.07021	35.8
119.04968	6.6
119.08567	41.3
121.06509	15.5
121.10135	12.1
122.07326	4.1
123.04418	8.9
123.08092	13.4
127.03957	5.7
128.06250	9.0
129.06999	22.5
131.04909	9.0
131.08569	30.6
133.06471	18.3
133.10139	17.9
135.08037	13.2
135.11674	13.9
137.06061	3.0
137.09608	6.5
141.06990	12.4
142.07654	2.8
143.08577	23.5
145.06473	16.8
145.10123	25.3
147.08066	17.6
147.11684	27.7
149.06006	3.8
149.09621	5.5
149.13266	7.1
153.06947	3.4
155.08534	5.6
157.10165	9.4
159.08008	8.1
159.11717	12.9
161.09607	12.9
161.13280	14.1
163.11151	11.4
167.08572	3.7
169.06392	3.1
169.10135	10.5
171.11671	27.5
173.04489	8.3
173.09616	3.4
173.13264	5.8
175.11136	6.8
177.12761	6.7
183.11694	3.5
185.09564	3.1
185.13223	8.4
187.11162	12.7
189.12712	8.9
196.05215	2.8
201.12914	2.8
203.14392	5.9
205.12254	7.8
207.13780	14.6
217.15805	3.6
221.15337	3.8
233.15408	10.6
241.14388	6.7
249.14925	10.2
259.16800	2.9
271.16931	4.5
273.18558	7.6
275.20099	6.1
279.15952	22.3
281.17471	40.5
287.16394	7.0
289.17996	10.9
290.18716	4.2
291.19443	5.1
305.17410	3.7
307.18924	6.1
309.16940	2.9
323.18546	19.4
347.22034	4.4
363.21750	5.6
381.22708	9.7
425.22107	3.2
435.27505	4.1
511.30576	3.6
529.31641	65.8
541.31720	8.0
569.35040	6.1
587.35858	8.1
749.40601	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	749.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01879	0.6
55.05511	2.3
57.03423	2.3
58.06583	0.6
61.02922	3.8
65.71689	0.5
66.55770	0.4
67.05503	6.2
69.03429	3.0
69.07058	2.1
71.04994	0.9
71.60493	0.6
72.08149	1.4
73.02921	3.0
75.16542	0.4
79.05490	5.4
81.03407	3.4
81.07053	5.0
83.04983	1.6
83.08598	0.7
85.02895	3.5
91.03967	1.6
91.05475	4.5
93.07050	5.7
95.04977	1.6
95.08591	2.6
97.02869	3.4
97.06531	1.5
97.10175	0.7
99.04469	1.1
101.02380	1.3
105.07033	3.2
105.45240	0.5
107.04957	1.0
107.08582	3.8
109.02873	0.8
109.06554	0.8
109.10167	1.1
117.07050	1.7
119.08607	1.9
121.06529	0.6
121.10154	1.0
127.03933	1.4
129.06964	0.5
131.08589	1.5
133.10164	1.8
135.08063	0.7
135.11685	4.3
143.08569	0.6
145.04979	0.5
145.10133	1.4
147.08092	0.8
147.11757	0.7
149.09663	0.7
155.08441	0.6
159.11726	0.7
163.11308	0.6
171.11674	0.5
205.34554	0.5
221.11497	0.9
243.08421	2.5
255.15837	0.7
257.03238	0.5
260.11020	0.5
277.14395	0.6
333.20407	1.8
439.19336	9.6
453.21063	1.3
544.37817	0.6
551.28131	3.9
569.35223	0.9
576.18909	0.5
651.33527	1.1
731.40985	0.6
731.90594	0.6
749.40765	100.0
750.41168	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	748.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.5
55.01862	1.8
55.05510	6.8
56.05019	0.9
56.96548	0.8
57.03436	2.6
57.05822	0.8
57.07063	1.6
58.06593	1.3
65.03941	1.2
67.05502	17.9
69.03418	1.5
69.07069	5.6
70.06588	3.5
71.04984	2.4
71.08628	1.9
71.16788	0.5
71.60535	0.9
72.08153	100.0
79.05490	15.7
81.03414	8.4
81.07055	18.4
83.04979	5.2
83.08617	4.6
85.02905	4.9
85.06531	1.3
85.10177	1.1
90.09211	0.8
91.05477	18.3
91.16327	0.5
93.07043	15.2
95.04974	6.2
95.08604	9.0
97.02894	1.1
97.06517	3.7
97.10160	2.0
99.08071	2.7
104.79047	0.6
105.04528	0.5
105.07028	12.2
107.04969	2.7
107.08588	6.4
109.06530	2.1
109.10140	3.8
111.04438	0.6
111.08062	2.7
112.15221	0.5
113.09649	1.2
115.05477	0.6
117.07024	2.2
119.08575	7.6
121.06465	0.8
121.10143	4.3
123.08080	1.6
123.11735	1.1
125.09648	1.4
129.07002	3.7
131.08589	4.7
133.10121	7.2
135.08086	0.9
135.11716	2.3
137.06021	0.5
139.11316	0.5
143.08583	1.2
145.10152	1.6
147.11673	4.7
149.09653	2.0
149.13251	1.7
151.11182	3.6
157.10092	2.8
159.08168	0.6
159.11720	1.7
161.13290	2.0
163.11198	2.4
165.12807	2.1
170.05772	15.7
171.11716	1.1
175.11253	2.1
177.12759	1.0
179.14345	1.2
181.79102	0.5
185.13345	0.8
189.11243	0.7
193.12242	8.0
195.13858	1.2
211.07712	0.6
211.13275	9.2
222.59213	0.6
241.19508	0.8
251.16403	0.8
259.20673	1.6
267.15945	3.5
269.17444	1.4
277.21686	5.0
285.16962	3.8
293.54761	0.6
295.22614	2.9
317.86765	0.6
349.23676	0.8
351.25500	2.0
454.22260	0.8
461.28909	2.6
465.28552	1.4
479.30017	19.1
543.36786	3.4
561.37811	15.3
573.27246	0.6
573.77094	0.6
579.39020	8.3
579.82465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01870	0.6
55.05500	1.1
57.03417	1.4
61.02921	3.9
65.03936	0.3
67.05501	5.0
69.03426	2.7
69.07073	1.8
69.47275	0.4
69.47684	1.3
71.04999	0.5
72.08153	0.5
73.02917	2.7
77.60491	0.2
79.05485	4.5
81.03423	1.6
81.07052	5.8
81.38091	0.2
83.08625	0.8
85.02902	4.3
85.06559	0.3
87.04460	0.3
87.85249	0.2
91.03963	2.5
91.05466	2.9
93.07035	5.8
95.04981	0.7
95.08604	2.2
97.02878	3.5
97.06539	0.7
98.20770	0.4
99.04462	0.9
101.02372	1.3
104.54480	0.2
105.07025	2.3
107.08582	3.0
109.02890	0.8
109.06531	0.2
109.10149	0.6
110.33680	0.2
111.08077	0.3
115.03931	0.3
117.07032	1.0
117.24687	0.2
119.08589	1.6
121.10110	2.1
123.11720	0.3
127.03941	0.9
129.05507	0.4
129.07022	0.4
131.08580	0.9
132.10738	0.2
133.10127	1.7
134.68700	0.2
135.11642	1.1
145.10175	0.5
147.11707	1.1
149.13252	2.4
157.10158	0.4
159.11736	1.2
161.13261	0.6
171.11647	0.4
173.13274	0.3
185.04213	0.9
195.13899	0.5
203.05331	0.3
235.13048	1.2
236.83768	0.3
241.07057	0.3
243.08380	2.9
243.10655	0.3
259.20520	0.4
261.14575	0.3
269.17645	0.3
291.15659	0.5
300.95145	0.3
301.09073	1.5
313.09033	0.4
315.10657	0.5
317.20862	0.5
333.24426	0.4
371.16702	0.4
373.10953	0.5
383.17023	0.4
443.18976	1.0
453.20889	10.5
459.71976	0.3
465.20975	0.7
483.22409	0.3
525.23065	1.2
535.28772	5.7
553.26361	0.4
609.33038	0.5
747.42834	100.0
748.43292	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	747.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01880	0.5
55.05507	1.3
57.03427	1.6
58.06582	0.6
58.41351	0.4
61.02918	4.1
67.05502	5.1
69.03433	3.0
69.07058	1.5
71.05005	0.8
72.08161	0.7
73.02896	2.5
79.05481	4.6
81.03422	2.2
81.07055	4.9
83.08631	1.1
85.02889	3.8
91.03967	2.3
91.05472	3.6
93.07037	5.4
95.04984	1.3
95.08594	2.3
97.02891	4.2
97.06550	0.8
97.10139	0.5
98.21507	1.2
99.04480	0.9
101.02380	1.8
103.03924	0.5
105.07035	2.2
107.08583	2.5
109.02876	0.7
109.10151	1.0
111.08041	0.6
117.07024	1.0
119.08590	1.5
120.74333	0.4
121.04723	0.4
121.10157	2.0
123.11680	0.5
127.03902	0.8
129.05478	0.6
131.08586	1.0
133.10077	2.3
135.11592	0.9
143.08577	0.7
145.04929	0.7
145.10152	0.6
147.11671	0.8
149.13292	1.5
159.11783	0.7
185.04092	0.6
195.13850	0.6
203.05283	0.7
215.71005	0.4
235.13068	1.1
241.06778	0.7
243.08356	2.5
269.17578	0.7
301.08908	1.1
315.10315	0.5
373.11066	0.7
380.46268	0.5
397.90341	0.5
453.20929	9.3
453.93851	0.5
465.21542	0.6
469.20627	0.6
525.23181	0.6
535.28760	5.5
605.43060	0.5
609.32422	0.8
747.42853	100.0
748.43353	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	747.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01862	0.4
55.05515	1.5
57.03434	2.4
57.07072	0.3
61.02924	5.9
67.05502	4.3
69.03423	3.9
69.07063	1.0
69.91884	1.3
71.01347	0.6
71.04983	0.7
72.08153	0.6
73.02915	4.6
79.05486	3.4
81.03411	2.8
81.07055	5.2
83.08636	0.9
85.02901	5.8
87.04476	0.5
91.03948	3.4
91.05481	2.4
93.07039	4.0
95.04974	1.0
95.08602	3.5
95.68800	0.2
97.02886	4.9
97.06551	0.4
97.10203	0.3
98.21424	0.4
99.04466	1.1
101.02374	2.0
103.03943	0.3
105.07014	1.7
107.08582	2.1
109.02891	0.9
109.06528	0.2
109.10147	1.2
111.04453	0.2
111.08083	0.3
115.03936	0.5
117.07011	0.2
119.08566	1.0
121.10143	1.6
123.11713	0.4
127.03901	2.0
129.07001	0.5
131.08580	1.0
133.10088	1.0
135.11722	0.7
145.04951	0.3
145.10114	0.6
147.11697	0.6
149.13310	0.5
157.10175	0.5
159.11745	0.4
161.13264	0.4
173.13223	0.3
185.04283	0.6
193.12183	0.4
211.13380	0.2
227.20206	0.3
234.60014	0.2
243.08406	1.7
251.12532	1.4
307.15182	0.2
335.26053	0.6
469.20413	3.5
516.40863	0.3
519.29230	8.5
624.77386	0.3
747.42853	100.0
748.43018	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	747.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.07309	0.2
55.05495	1.3
57.03426	1.3
61.02924	5.3
65.03938	0.3
67.05495	4.0
67.05829	0.4
69.03426	3.2
69.07057	1.3
69.33308	1.7
69.33720	0.4
71.01344	0.5
71.04993	0.5
72.08141	0.8
73.02914	3.9
75.13664	0.2
79.05492	3.8
79.08296	0.2
81.03416	4.0
81.07053	4.4
83.08608	1.5
85.02898	6.5
87.04480	0.3
91.03945	3.3
91.05482	3.3
93.07035	3.7
95.04959	1.2
95.08606	3.0
97.02879	4.9
97.06516	0.4
99.04465	0.8
101.02358	1.7
103.03958	0.3
105.07031	2.2
107.04951	0.6
107.08586	1.6
108.24463	0.2
109.02888	0.6
109.06519	0.5
109.10174	0.9
110.98889	0.2
111.08102	0.3
115.03951	0.5
116.93305	0.2
117.07019	0.4
119.08581	1.5
121.10133	1.7
123.08056	0.3
123.11720	0.6
127.03930	1.6
129.07027	0.8
131.08591	1.0
133.10069	1.3
135.11723	0.5
137.29375	0.2
145.10091	0.4
147.11693	1.2
149.09628	0.3
157.10152	0.9
173.13168	0.3
175.11185	0.8
185.04251	0.8
193.12265	0.9
203.05305	0.5
211.13303	0.7
243.08362	1.9
251.12604	0.8
269.12509	0.8
285.17023	0.3
307.15143	0.3
382.54041	0.3
409.50790	0.2
469.20367	9.5
469.27051	0.5
470.20853	0.3
497.30951	0.3
511.28186	0.3
519.29340	4.6
713.90967	0.3
747.42828	100.0
748.43054	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	747.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94979	0.4
81.07117	0.5
93.83021	0.4
231.30960	0.4
323.45679	0.5
469.18576	0.6
482.38513	0.5
535.26959	0.9
747.40790	100.0
748.41034	5.8
753.52527	0.5
762.92908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3771
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03948	0.8
55.01871	0.9
55.05513	1.2
57.03431	2.4
59.05002	0.8
60.75509	0.3
60.98559	0.3
61.02927	5.0
67.05500	3.7
69.03429	3.2
69.07080	1.4
69.14890	0.3
71.01365	0.5
71.04988	2.0
71.59909	0.5
73.02922	3.6
73.58076	0.3
79.05495	5.0
81.03412	6.9
81.07056	4.5
83.08617	2.1
85.02900	6.1
85.06557	0.5
87.04505	0.5
91.03948	2.6
91.05480	4.3
93.07049	4.8
95.04979	2.6
95.08599	2.2
97.02886	5.0
97.06536	1.1
97.10168	0.5
99.04470	0.7
101.02384	2.2
103.03922	0.5
103.05507	0.4
105.07012	3.2
105.07595	0.4
107.04983	1.4
107.08619	1.7
109.02887	0.9
109.06501	0.5
109.10144	0.7
111.04422	0.6
111.08098	0.7
115.03984	0.5
115.05482	0.5
117.06981	0.3
119.04948	0.5
119.08557	2.3
121.06525	0.5
121.10143	3.8
123.04449	0.9
123.08076	0.5
123.11752	0.5
125.09657	0.6
127.03920	1.5
129.06995	1.5
131.08563	2.6
133.06613	0.4
133.10135	1.7
135.04492	0.5
135.11668	0.4
137.06006	0.7
139.03934	0.4
139.11235	0.9
145.05037	0.5
145.10139	0.5
147.04454	0.8
147.11673	2.1
149.09624	3.0
157.10167	1.4
161.06018	0.5
162.40259	0.4
163.11185	0.8
165.12781	0.6
167.07034	0.7
167.10728	0.7
172.30913	0.3
173.05974	0.4
173.09747	0.3
174.06841	0.4
175.11180	1.7
189.05521	0.4
193.12242	3.1
197.06020	0.4
197.15424	0.6
199.07500	0.4
201.05515	0.4
211.13370	1.2
219.10442	0.3
221.90570	0.3
225.05479	0.5
225.11066	0.7
225.14894	0.7
227.12823	1.2
243.08440	2.8
243.10768	0.4
251.12517	0.5
267.15997	2.6
269.13708	1.1
283.15277	4.8
303.04962	0.5
339.18146	0.7
353.13922	0.4
380.66086	0.4
399.15024	0.4
420.04547	0.3
425.17725	0.4
427.19629	0.5
443.18860	7.3
469.20572	3.3
487.21484	7.9
501.23016	15.5
527.24786	0.4
541.30103	0.4
684.71808	0.4
703.35046	3.0
729.37390	1.5
747.37714	100.0
748.38324	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	747.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.2
66.27071	0.5
67.01868	0.8
67.05492	1.2
68.99439	0.6
68.99793	8.2
69.30831	1.3
69.31239	5.1
72.46988	0.6
73.43421	0.5
74.24957	0.6
77.03917	0.6
79.01838	0.9
81.03416	3.7
83.04976	0.9
84.87904	0.6
87.02610	0.6
89.03353	0.6
91.05464	1.2
95.04973	1.2
98.21498	1.3
99.04447	1.1
100.62701	0.6
105.03381	1.9
109.02907	3.9
111.00810	6.4
111.04433	1.7
115.05479	0.6
119.04939	2.0
119.29461	0.5
121.02874	1.7
121.29157	0.5
123.04426	70.6
124.04769	1.4
125.02357	1.0
127.03913	100.0
128.04227	0.9
131.04898	1.0
133.02847	2.2
135.04390	3.0
137.02361	1.6
137.05959	0.7
139.03896	57.3
143.03369	1.0
143.04927	1.1
145.06474	0.7
147.04402	12.4
149.02374	2.9
149.05978	1.0
151.03899	32.0
153.01831	13.2
153.02875	0.6
155.03360	2.2
157.06502	1.3
159.04390	1.4
161.05940	1.8
163.03915	6.5
165.01860	0.6
165.05452	5.1
167.03430	6.4
171.04428	1.3
173.06012	1.5
175.02733	0.4
175.03902	16.8
177.05452	5.7
179.03392	34.7
181.04900	1.7
183.04509	0.6
185.06015	2.5
187.03876	0.9
189.05411	5.3
191.03397	14.0
193.04959	4.9
197.06030	1.0
199.03967	2.8
201.05435	6.2
203.03375	24.7
203.07033	1.2
205.05043	1.4
213.05466	5.4
215.03394	1.5
215.07129	0.7
217.04977	4.6
217.18036	0.6
219.06534	1.2
227.03453	1.8
229.04933	4.8
231.06557	2.3
233.04460	5.7
241.04926	3.5
243.06505	1.0
245.04437	11.7
245.06718	1.0
247.06146	1.4
251.05655	1.1
257.04456	11.3
258.05023	0.6
259.05972	3.2
263.05502	11.1
269.04443	8.5
271.06003	3.5
273.07553	6.9
275.05487	19.4
277.07019	1.2
281.04312	0.7
287.05487	57.6
288.05838	0.8
291.08551	3.4
293.36728	0.6
299.05490	17.1
299.08929	0.8
305.06482	10.0
311.05551	1.7
317.06534	13.5
379.08517	1.0
391.08215	2.9
409.09204	8.8
421.09106	0.7
425.08655	17.3
427.09729	0.8
437.08572	1.0
443.04483	0.8
443.09756	4.7
451.10190	0.8
559.12079	0.9
577.12817	1.1
579.11243	1.0
720.70923	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01871	2.0
59.04952	0.6
65.03947	1.7
67.01871	1.0
67.05502	1.0
68.99788	9.1
69.50425	5.3
77.03915	1.1
79.01836	0.9
81.03397	4.1
85.66688	0.7
91.05470	1.8
93.03378	0.6
95.04964	2.7
99.04429	1.3
105.03394	1.7
107.01366	0.6
107.04970	1.2
109.02878	5.0
111.00789	7.1
111.04420	2.0
119.04945	1.9
121.02869	2.0
123.04424	77.7
124.04755	0.7
125.02322	0.9
127.03911	100.0
128.04263	1.2
129.06943	0.7
131.04892	1.1
133.02847	2.2
135.04402	3.6
137.02281	1.3
137.05965	1.0
139.03894	65.1
143.03365	1.6
145.04881	0.6
145.06534	0.8
147.04391	14.6
149.02341	2.8
149.06009	0.9
151.03891	30.1
153.01814	14.9
153.02849	0.5
155.03391	2.5
157.02884	1.0
157.06497	1.4
159.04427	1.3
161.05952	2.1
163.03886	7.2
165.05510	4.4
167.03371	6.1
169.06387	0.6
171.04413	1.8
173.05986	0.9
175.03902	16.8
177.05484	6.0
179.03386	33.2
181.04987	0.8
185.05966	2.7
187.03955	2.1
188.10086	0.6
189.05476	5.1
191.03391	14.0
193.05011	5.3
197.06000	2.3
199.03917	2.6
201.05453	6.9
203.03381	25.1
205.04958	1.8
207.06497	0.8
211.03981	0.6
213.05467	6.2
215.03378	1.2
217.04950	4.7
221.04333	0.7
223.02214	0.6
225.05487	1.0
227.03413	1.6
229.04938	5.6
231.06410	3.5
233.04451	5.8
241.04910	4.2
245.04453	10.7
245.06808	1.1
247.06026	1.8
251.05505	2.1
253.04941	0.9
257.04428	12.4
259.06110	3.0
263.05484	11.9
269.04459	7.2
271.06000	3.7
273.07462	6.8
275.05475	20.5
277.07071	1.2
279.36575	0.6
283.06082	1.0
285.07404	1.4
287.05481	61.9
288.05969	1.2
291.08679	4.1
297.07675	0.8
299.05469	16.4
301.06787	0.7
305.06564	10.9
311.05511	1.4
315.08524	1.1
317.06525	14.7
318.06757	0.7
391.08188	3.1
409.09125	10.0
410.09583	0.7
421.09207	1.2
425.08658	17.5
427.10184	0.9
433.09326	1.0
443.09552	5.4
451.10208	1.5
455.09732	1.0
561.10229	0.9
579.11285	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.05503	1.0
57.03423	1.4
61.02924	3.0
65.23325	0.5
67.05502	5.1
69.03426	2.0
69.07075	2.6
71.04998	0.7
72.08154	1.0
73.02921	3.0
73.58121	0.4
79.05489	4.1
81.03418	2.1
81.07053	5.3
83.04980	0.6
83.08612	1.3
85.02901	3.4
85.06568	0.6
91.03963	2.2
91.05493	2.9
93.07039	5.2
95.04949	1.2
95.08607	2.0
97.02870	2.8
97.06552	1.1
99.04486	0.8
101.02393	1.7
105.07027	2.8
107.04964	0.9
107.08585	2.2
109.02877	0.7
109.10159	0.9
111.04250	0.5
111.08102	0.6
117.07040	1.0
119.08606	1.4
121.10151	2.0
127.03864	0.6
131.08548	1.0
133.10168	1.6
135.11697	1.3
145.10124	0.7
147.11684	0.8
149.09644	0.7
149.13264	2.6
156.53062	0.5
159.11653	1.5
179.14304	0.6
185.04193	1.1
211.65118	0.6
235.13164	0.9
243.08394	2.6
274.88904	0.6
275.20316	0.6
312.84256	0.6
315.19345	2.7
367.24069	0.5
371.22006	0.9
453.20911	9.9
465.21173	1.6
533.27234	6.2
547.77283	0.5
745.41266	100.0
746.41534	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	745.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.05495	1.8
57.03439	1.7
61.02925	6.0
65.03931	0.3
66.92687	0.3
67.05503	5.9
69.03422	3.5
69.07057	1.5
71.01343	0.4
71.04987	0.5
72.08119	0.3
73.02913	3.8
79.05486	3.9
81.03422	2.2
81.07050	5.6
83.08608	0.6
85.02899	5.6
91.03959	3.7
91.05476	1.9
91.16666	0.3
93.07035	5.4
95.04956	0.7
95.08604	4.5
97.02891	4.8
97.10204	0.4
99.04437	0.8
101.02383	1.5
105.07040	2.1
107.08589	3.3
109.02889	0.7
109.10123	1.4
115.03904	0.4
117.07043	1.0
119.08578	1.2
121.10154	1.9
123.11656	0.4
127.03888	1.6
127.70370	0.3
131.08597	0.6
133.10129	1.0
135.11700	2.4
145.10130	1.2
147.11705	0.7
149.13258	0.4
159.11800	0.4
161.13274	0.4
163.11162	2.1
181.12227	0.4
185.04292	0.4
200.67497	0.3
203.05386	0.5
227.12852	1.3
243.08418	1.8
249.10962	11.9
250.11375	0.4
261.22208	0.3
305.13690	1.2
315.10739	0.3
335.25879	0.5
370.03046	0.4
395.98758	0.4
414.08688	0.3
419.26682	0.3
465.51746	0.3
467.18900	4.5
468.19165	0.5
513.98114	0.3
519.29285	8.9
745.41254	100.0
746.41602	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	745.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05500	1.5
57.03429	1.5
61.02926	4.4
67.05508	5.2
69.03428	2.2
69.07064	1.2
70.11971	1.7
71.04990	0.7
72.08160	0.8
73.02908	3.4
79.05488	3.8
81.03413	1.5
81.07057	5.0
83.08630	1.1
85.02901	4.2
91.03963	1.4
91.05487	1.7
93.07047	4.8
95.04971	0.5
95.08605	4.9
97.02895	4.0
99.04462	1.0
101.02379	1.3
105.07037	1.4
107.04944	0.7
107.08597	2.3
109.02901	0.8
109.10180	1.3
113.71133	0.5
117.06997	0.5
119.08599	1.6
120.16540	0.4
121.10156	1.8
127.03945	0.9
131.08575	0.8
133.10136	0.9
135.11696	3.3
140.85466	0.4
145.10146	2.3
146.14104	0.5
149.13245	0.5
163.11183	3.7
180.14555	0.4
181.12148	0.6
227.12772	3.3
243.08452	2.4
249.10977	8.1
305.13687	2.1
312.35422	0.5
313.27414	0.5
335.25793	0.7
382.93463	0.5
412.07864	0.5
425.74100	0.6
463.62787	0.5
467.18927	11.2
519.29352	5.2
535.10901	0.5
548.39850	0.5
745.41254	100.0
746.41443	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	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.5
57.03435	2.3
61.02923	6.2
66.65092	0.8
67.05499	5.8
69.03426	3.6
69.07069	1.6
72.08152	3.1
73.02917	5.3
79.05515	4.5
81.03434	2.8
81.07053	6.2
83.08641	0.9
85.02901	5.6
90.46258	0.8
91.03959	3.0
91.05489	2.9
93.07031	6.0
95.04966	1.0
95.08575	5.3
97.02902	4.8
101.02408	1.3
105.07032	1.6
107.08620	2.4
109.02829	1.4
109.10169	1.7
117.07044	1.2
119.08591	2.0
121.10139	2.0
127.03912	2.7
130.27100	0.9
133.10129	1.1
135.11670	1.0
145.10210	1.2
163.11255	1.0
185.04256	1.1
220.92606	0.9
232.78853	0.9
235.60245	0.9
243.08484	2.1
245.36732	0.8
288.21078	0.9
467.19034	3.0
519.29333	8.9
576.43280	1.4
745.41254	100.0
746.41925	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	745.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
55.01861	0.5
55.05503	1.7
56.96563	1.2
57.03427	1.6
61.02925	4.3
67.02069	0.5
67.05500	6.3
68.11897	0.4
69.03439	2.3
69.07070	0.8
69.78562	0.4
69.97682	0.4
71.04975	1.2
73.02915	3.0
79.05480	2.8
81.03410	3.7
81.07056	3.2
83.04993	0.8
83.08620	1.4
85.02898	5.0
87.04460	0.8
87.14008	0.5
91.03960	2.5
91.05476	3.9
93.07035	2.0
95.04980	1.4
95.08620	1.4
97.02899	3.9
99.04486	0.6
101.02377	0.9
105.07034	2.1
107.04958	0.5
107.08589	1.0
109.02882	1.0
109.10146	5.9
109.80550	0.4
111.08082	0.6
113.06046	0.5
114.95422	0.4
119.08591	1.7
121.06488	0.6
121.10139	0.9
121.73882	0.5
127.03914	1.5
129.07005	1.0
131.04939	0.5
131.08588	1.2
133.10132	1.6
137.06067	0.7
145.04919	0.5
147.11720	1.5
149.09662	0.9
157.10143	0.8
173.11751	1.5
175.11200	1.0
185.04346	0.7
190.43156	0.4
193.12320	1.6
195.09911	0.6
203.05302	0.5
211.13379	1.0
227.07204	0.6
229.14374	1.3
229.22102	0.7
243.08353	2.3
251.12668	1.2
261.69437	0.5
267.08850	0.9
269.12384	1.3
281.17535	0.6
285.10101	2.3
291.05261	0.5
301.09079	0.7
307.15369	0.6
367.17816	0.7
407.20084	0.9
407.70599	0.6
413.17773	8.9
469.20352	10.3
481.40695	0.5
485.17084	0.8
501.23392	1.1
550.44586	0.5
641.31384	100.0
642.31873	4.1
699.35754	0.8
727.34479	1.5
737.10431	0.5
745.35895	15.0
746.35101	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.05508	1.7
56.96567	0.6
57.03445	2.1
57.42671	0.4
59.05000	0.7
59.95660	0.4
61.02919	5.3
62.56700	0.5
67.05502	5.2
68.71888	0.5
69.03428	3.2
69.07079	1.7
69.29174	0.8
69.29574	3.7
71.01357	0.7
71.04988	4.6
72.08159	1.2
73.02910	4.1
79.05485	3.5
81.03414	4.9
81.07049	6.9
83.04990	0.9
83.08630	1.4
85.02900	5.2
85.06561	1.2
87.04478	0.9
91.03951	3.2
91.05479	4.7
93.07035	5.0
95.04991	2.0
95.08621	1.9
97.02877	3.9
97.06554	1.1
99.04441	0.9
101.02393	1.7
103.03986	0.7
105.07032	3.2
107.04975	0.5
107.08582	2.5
109.02876	1.3
109.06522	0.8
109.10173	1.3
111.08083	1.1
115.03973	0.5
117.07011	0.8
119.08608	1.7
121.10140	1.9
123.04434	0.5
123.11723	1.1
127.03933	1.5
129.05501	0.5
129.07013	0.9
131.08592	1.7
133.10109	3.5
135.11708	1.5
145.04987	0.5
147.04543	0.4
147.11745	1.7
147.32834	0.4
149.09688	1.5
149.13303	1.1
151.11234	1.2
157.10172	0.9
159.11723	0.6
161.06093	0.4
163.03922	0.5
168.14821	0.4
175.11214	0.8
183.13824	0.5
185.04468	0.4
185.09586	0.4
187.13318	0.6
193.12291	1.7
197.15434	0.6
201.07780	0.4
203.05371	0.7
207.13762	0.6
211.13246	0.7
225.14911	0.6
232.53136	0.4
235.13519	0.4
243.08359	2.8
257.17392	0.9
267.09271	0.4
267.15726	2.3
269.10678	0.7
269.17682	0.6
281.17581	0.9
283.15240	3.7
284.54010	0.4
285.10156	1.2
287.11832	0.5
297.07697	0.6
301.09909	0.6
323.18240	0.7
339.17896	0.7
373.16333	0.5
406.19391	0.6
441.20822	0.7
469.20401	0.4
485.16864	0.8
485.23636	10.1
501.22983	11.0
591.67743	0.5
641.31030	1.1
734.51135	0.5
745.39813	100.0
746.39923	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	745.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.8
57.03433	0.9
61.02912	1.7
67.05495	1.2
68.68233	0.8
69.03415	1.2
71.52234	1.7
72.22666	0.7
75.96473	0.7
79.05476	2.0
80.48544	0.7
81.03418	2.8
81.07055	1.6
83.04969	0.8
85.02911	2.1
91.05484	1.6
91.44420	0.8
93.07050	1.4
95.04970	1.4
95.08574	1.3
97.02869	1.3
105.07005	0.9
111.07982	0.6
114.60808	0.7
119.04903	0.7
119.08588	1.0
121.10106	1.0
127.03884	0.9
130.40056	0.8
131.00185	1.6
133.06470	0.8
133.10095	0.7
137.05980	1.4
149.01215	1.5
153.33008	0.9
167.02335	1.2
181.04910	0.7
191.07045	0.9
249.08060	1.3
255.58102	0.7
267.09030	13.0
269.10590	1.2
285.10062	14.5
290.10663	1.0
301.09695	1.0
303.11078	0.9
309.10254	2.3
323.11682	1.0
347.09024	0.7
379.04950	0.8
452.54626	0.7
467.15961	1.5
485.16885	13.2
586.24542	0.8
641.31525	2.4
677.28149	1.0
713.31445	1.0
727.35492	1.1
745.34186	100.0
746.33783	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	744.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
53.29748	1.1
55.01863	1.4
55.05508	14.5
57.03439	9.9
57.07069	3.5
61.02902	2.7
61.50328	1.2
63.43865	1.1
65.03911	1.7
67.05501	73.6
68.05849	1.8
69.03422	1.8
69.07060	13.6
69.19141	1.1
70.20888	5.0
71.04991	7.7
72.08140	1.1
73.02892	1.3
76.93911	1.2
79.05486	35.5
81.03407	1.6
81.07050	98.8
83.04981	4.9
83.08615	11.7
84.56339	1.1
85.02897	3.2
85.06542	8.1
90.75021	1.1
91.05474	26.0
93.07039	49.5
94.07410	1.9
95.04971	5.8
95.08603	34.6
97.02847	1.6
97.06519	8.5
97.10161	4.0
98.21429	1.5
99.08089	2.3
105.07027	12.7
107.04966	1.3
107.08590	29.8
109.06526	3.6
109.10154	15.7
111.08089	3.8
111.66364	1.2
117.07020	6.8
119.08585	8.2
121.10137	18.3
123.08115	1.7
123.11703	10.4
126.46368	1.3
131.08559	12.7
133.10126	17.2
135.08066	1.4
135.11688	14.6
137.13232	1.1
145.10123	5.0
147.11707	4.0
149.13260	17.2
149.14354	1.7
151.11166	2.3
157.10170	2.0
159.11688	12.6
161.13266	2.5
163.14832	1.9
169.12296	1.7
171.11697	1.0
173.13246	1.4
177.12766	5.4
179.14305	1.5
184.07327	3.1
187.13327	6.0
187.14806	1.3
195.13815	7.2
203.62982	1.1
213.14848	1.9
215.43813	1.3
243.15891	23.5
243.21104	2.2
255.58141	1.2
261.22073	8.8
269.17456	34.2
270.17715	1.2
287.18497	26.9
287.23587	2.1
317.24548	2.6
325.31647	1.4
335.25757	56.7
336.26120	2.7
352.51944	1.4
358.42392	1.3
421.15820	1.2
447.31635	1.2
495.15970	1.2
496.61703	1.4
503.37289	100.0
504.37494	4.8
512.68457	1.1
529.38745	8.5
547.39923	42.8
548.40125	3.9
691.43451	2.3
745.40656	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.05502	13.7
57.03432	6.9
57.07063	1.7
59.04999	2.3
61.02921	2.0
65.03933	4.1
67.05500	90.5
67.68022	1.0
69.03400	1.2
69.07072	10.5
69.42100	7.4
69.42503	1.6
71.04987	19.3
72.08141	4.7
79.05486	30.6
79.81451	1.0
81.03407	2.5
81.07049	38.4
83.04984	3.1
83.08633	6.7
85.02901	4.1
85.06528	3.2
91.03931	1.4
91.05473	20.7
93.07038	40.2
95.04960	4.6
95.08598	31.2
97.02876	1.7
97.06514	3.4
97.10173	3.3
98.21449	1.7
99.08016	1.0
102.37848	1.0
105.07025	8.2
107.04875	1.2
107.08585	19.2
109.06503	1.5
109.10146	62.1
111.08068	2.9
117.07007	3.7
119.08577	15.4
121.10134	16.7
123.11710	2.4
131.08568	5.4
133.10107	7.7
135.11688	16.7
137.09622	9.3
145.10110	5.3
147.11650	4.1
149.13275	2.7
155.10684	3.5
159.11682	2.5
161.13281	3.6
163.11185	3.9
163.14847	1.3
165.12715	1.5
169.12088	1.3
171.11636	1.6
173.11723	7.7
173.13173	2.7
187.14775	1.0
196.60555	1.1
243.15997	1.7
255.15883	5.9
259.20685	1.2
261.22208	2.4
268.22510	1.1
287.18469	16.8
335.25757	27.5
397.31448	1.2
471.34656	2.5
489.35690	100.0
490.35837	3.5
503.37280	3.4
515.37280	10.4
547.39911	77.9
548.39960	3.7
648.25421	1.2
744.44733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.5
55.01864	2.5
55.05507	15.0
57.03199	1.3
57.03431	10.0
57.07053	2.4
58.46635	1.2
61.02930	2.3
65.03918	1.6
67.05502	75.0
69.07062	14.0
71.04980	7.3
72.08160	1.7
77.47986	1.1
79.05489	37.3
81.03410	4.2
81.07056	95.2
82.07374	1.2
83.04987	5.7
83.08624	9.8
85.02882	4.0
85.06543	10.2
91.03932	1.6
91.05474	25.0
92.05816	1.3
92.86401	1.2
93.07043	47.0
94.07355	1.8
95.04951	4.9
95.08604	32.9
96.08925	1.6
97.02886	2.6
97.06525	8.9
97.10148	2.8
99.08081	2.3
102.93677	1.1
105.04521	1.2
105.07037	12.2
107.08595	26.6
109.06525	3.3
109.10143	16.8
111.08076	3.4
117.07005	9.5
119.08587	7.8
121.10155	15.4
123.11716	11.8
127.03851	1.3
131.08557	11.0
133.10126	17.2
135.11671	12.9
139.11104	1.6
145.10098	5.1
147.11656	4.5
149.13255	16.1
151.11168	4.5
159.11685	13.2
161.13287	2.3
163.14825	1.6
173.13275	2.3
177.12730	4.1
184.07324	3.4
187.13303	7.4
187.14738	2.0
195.13832	7.5
213.14783	2.9
229.49155	1.9
229.99779	1.3
241.14313	3.2
243.15915	29.7
243.21150	2.9
261.22150	5.4
267.16077	1.5
269.17435	23.2
286.17480	1.3
287.18530	42.0
287.23477	2.0
317.24786	1.5
334.56042	1.3
335.25812	51.7
335.29892	2.5
336.26151	4.3
337.27042	1.3
358.44720	1.3
431.22891	1.6
446.25815	1.2
489.35361	1.6
503.37305	100.0
504.37527	4.9
529.38953	11.6
547.31482	2.1
547.39868	40.0
548.39899	3.0
745.40149	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	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89502	1.5
55.01851	1.8
55.05506	12.5
57.03427	8.7
57.07072	4.0
59.04997	1.8
61.02917	3.3
65.03926	1.5
67.05502	89.4
69.03410	2.7
69.07061	13.4
70.15472	3.8
70.15872	3.6
71.04635	2.2
71.04988	22.2
72.08141	9.9
72.08500	2.2
74.22117	1.5
78.38300	1.5
79.05491	32.4
81.03425	1.6
81.07053	40.1
83.04977	4.4
83.08612	7.6
85.02892	3.6
85.06534	2.9
91.05477	23.8
93.07043	37.9
95.04970	4.4
95.08034	2.8
95.08604	31.1
97.02875	1.7
97.06532	5.1
97.10138	2.0
99.08067	2.1
105.07034	11.1
107.08599	16.9
109.06502	2.4
109.10153	51.2
117.07011	5.7
119.08567	15.6
121.10149	14.4
123.11703	2.2
131.08569	4.8
133.10118	6.2
135.11691	17.1
137.08644	1.9
137.09602	10.5
145.10190	7.8
147.04370	1.7
147.11674	5.4
149.13219	3.3
155.10674	2.7
159.11682	4.4
161.13255	2.6
163.11140	4.9
173.11784	7.9
173.13124	2.6
181.12325	1.7
187.13359	1.6
213.14758	2.2
229.14281	1.8
243.15941	1.8
255.15884	6.1
261.22141	2.4
287.18500	24.6
335.25851	21.3
336.26266	1.7
397.31042	3.2
423.32346	2.2
471.34473	4.8
489.35745	100.0
490.36011	3.8
503.37097	3.8
515.37433	14.5
547.39960	79.5
548.40088	4.4
575.42383	1.9
744.44598	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01867	11.3
55.05259	2.5
55.05507	30.6
57.03185	1.8
57.03438	23.5
57.07074	3.2
59.23577	1.4
61.02917	3.8
65.03935	4.2
67.05501	89.6
69.03429	7.9
69.07065	36.8
69.26823	13.1
69.27233	2.3
71.01342	4.9
71.04996	8.5
72.08144	18.4
73.02908	1.7
74.15372	1.3
75.79781	1.3
79.05488	77.9
81.03402	13.1
81.07051	72.0
83.04981	18.1
83.08611	14.4
85.02892	6.8
85.06525	5.1
91.05477	53.0
93.07037	85.8
95.04953	16.0
95.08604	29.0
96.88163	1.8
97.02892	4.5
97.06522	25.8
97.10158	22.1
98.20789	3.2
99.04488	2.1
99.08078	4.2
99.42717	1.3
103.05482	2.1
105.07021	29.5
107.04946	11.6
107.08585	58.3
109.02894	2.7
109.06525	7.1
109.10151	12.8
111.08082	5.1
113.09650	2.5
116.93306	1.6
117.07000	18.2
119.08571	24.9
120.40729	1.2
121.06493	4.5
121.10141	18.3
123.08070	2.9
123.11725	2.3
125.09612	10.4
127.03928	3.4
129.06976	5.0
131.08560	18.1
133.06528	1.9
133.10114	22.0
135.08067	4.1
135.11684	62.3
137.09625	2.8
139.11241	1.6
143.08594	4.1
145.10110	20.6
147.11659	11.1
149.09645	13.3
149.13255	8.0
151.11172	3.5
153.12712	2.4
155.08493	2.0
157.10138	4.8
159.11685	13.5
161.09625	2.4
161.13298	5.3
163.11182	14.4
169.10080	2.1
170.05878	2.7
170.85396	1.4
171.11702	2.8
173.04485	1.5
173.11900	1.8
173.13268	5.9
175.11206	1.7
177.12709	1.8
179.14279	2.0
181.12224	12.8
183.11737	2.9
185.13335	1.9
187.11090	1.5
189.11195	6.1
190.17705	1.4
195.13834	4.0
197.13141	1.4
199.13297	4.3
213.68428	1.4
227.12784	18.6
229.19580	2.5
237.14749	1.8
239.18063	3.5
247.20505	1.6
253.14417	1.8
255.15895	100.0
257.19022	10.1
269.17432	12.1
275.20044	34.8
291.19577	1.7
293.21048	2.9
331.22684	2.7
349.23679	21.5
351.21509	2.6
395.20575	1.6
409.26111	3.1
415.53741	1.6
425.25272	8.5
433.29175	3.5
435.27328	24.9
449.28967	89.3
450.29230	3.2
475.30502	2.0
489.31769	1.8
500.19366	1.5
511.34003	2.0
529.35254	48.3
530.35254	2.7
547.36157	7.2
557.37921	2.7
593.33630	2.8
757.46265	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.7
55.01862	3.8
55.05507	15.7
57.03434	13.2
61.02912	1.7
65.03933	2.4
67.05502	56.3
69.03413	3.4
69.07066	20.8
71.01351	3.2
71.04971	4.2
71.59151	2.3
72.08152	25.2
72.83045	1.0
73.02911	1.4
79.05487	48.1
81.03408	13.2
81.07052	47.0
83.04982	10.2
83.08617	7.6
85.02895	3.5
85.06532	4.7
91.05475	29.5
93.07038	53.9
93.07628	2.9
95.04961	11.4
95.08603	19.0
97.02878	2.5
97.06529	15.4
97.10159	9.7
99.04425	1.5
99.08080	3.3
105.07024	21.1
107.04945	5.2
107.08596	40.1
109.02852	1.6
109.06506	4.5
109.10157	9.0
111.08080	3.9
111.11736	1.4
117.07011	9.2
119.08575	13.0
121.06499	3.8
121.10130	15.0
123.08017	2.4
123.11688	1.2
125.09644	2.5
127.03896	2.2
129.06987	3.4
131.08554	8.6
133.10123	12.2
135.08054	3.3
135.11679	36.6
137.09621	2.8
143.08542	2.6
145.10136	12.4
147.11662	5.5
149.09599	4.9
149.13251	7.0
151.11174	2.0
153.12782	1.7
155.99881	1.1
157.10101	2.5
157.98140	1.3
159.11707	7.3
161.09598	1.6
161.13345	2.3
163.11163	9.0
169.10161	1.4
170.05750	4.7
171.11650	1.9
173.13258	2.5
175.11194	1.4
177.12747	2.8
179.14336	1.6
181.12213	7.9
184.29950	1.2
188.64581	1.4
194.06639	1.2
195.13831	3.2
198.55992	1.3
199.13306	1.8
205.12050	1.2
207.13872	1.6
227.12646	1.8
239.18001	1.3
241.31676	1.5
253.14279	1.3
255.15907	61.0
257.19019	3.1
269.17422	17.6
275.20056	13.5
293.20969	1.9
335.41962	1.4
337.23819	1.8
349.23792	10.5
367.24615	1.7
413.21536	2.2
425.25281	1.3
435.27402	17.3
449.28946	100.0
450.29184	2.5
475.30420	2.9
489.32339	1.8
529.35175	20.7
543.36810	3.9
547.36334	6.5
557.38135	4.9
557.93976	1.4
575.39093	3.7
593.32849	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
55.01868	2.5
55.05506	10.6
55.55044	0.5
56.05021	1.2
57.03432	3.4
57.07063	1.1
64.19827	0.5
65.03937	1.8
67.05501	26.7
69.03413	1.0
69.07059	7.2
70.06596	4.0
71.04983	1.9
71.08634	3.2
71.60165	1.1
72.08150	100.0
73.36562	0.6
79.05486	27.5
81.03406	5.2
81.07052	26.8
83.04976	5.2
83.08612	5.6
85.02901	1.6
85.06525	1.5
89.16532	0.6
90.09209	0.8
91.05476	22.0
93.07037	24.4
93.07620	1.4
95.04963	8.6
95.08600	11.9
97.02895	0.6
97.06519	4.8
97.10171	2.3
99.08096	2.1
103.05435	0.9
105.07025	15.4
107.04950	3.1
107.08582	11.2
109.06519	5.2
109.10161	5.2
111.08104	1.7
113.09653	0.9
115.05451	0.6
117.06998	5.0
119.08572	10.2
121.06516	2.5
121.10135	6.4
123.08047	1.5
123.11694	1.5
125.09589	1.2
128.06282	0.6
128.96120	0.6
129.06984	3.5
131.08549	4.3
133.10136	7.0
135.08031	1.1
135.11694	7.0
137.09561	0.7
139.11186	1.1
143.08575	1.8
145.10098	5.3
147.08102	1.2
147.11676	9.9
149.09602	1.8
149.13228	2.8
151.11137	3.8
153.78459	0.7
157.10141	1.6
159.11734	2.1
161.09665	1.3
161.13274	3.6
163.11163	3.7
165.12776	1.5
167.10686	0.6
170.05771	14.9
170.07243	0.8
171.11736	5.1
173.13249	0.7
175.11198	0.7
179.14294	1.0
181.12256	1.5
189.12782	2.4
193.12221	0.7
194.07887	0.6
195.13890	1.1
196.82312	0.6
207.13727	5.3
225.14679	0.6
227.13107	0.6
255.15868	11.7
259.20581	1.2
269.17447	0.7
275.20093	6.7
277.21567	4.3
281.17416	5.4
293.21155	0.9
333.24359	0.9
347.30396	0.6
349.23782	3.7
351.25375	1.8
359.45261	0.6
367.24966	2.0
401.72342	0.7
449.29260	1.0
461.28964	1.1
463.19250	0.7
475.30508	21.0
511.34290	1.0
529.35168	12.1
539.37665	2.3
547.36255	8.8
557.38403	14.4
575.39575	6.7
576.39551	0.6
588.59521	0.7
639.50311	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01872	0.4
55.05506	2.0
57.03430	2.2
61.02927	5.7
67.05500	6.2
69.03435	3.3
69.07058	1.9
71.04987	0.8
71.51453	0.6
73.02912	4.4
73.69090	0.3
79.05486	5.6
81.03426	2.1
81.07053	5.4
83.04999	0.6
83.08614	0.7
85.02900	6.0
87.04481	0.4
91.03957	3.7
91.05482	3.8
93.07047	4.9
95.04947	0.8
95.08604	4.5
97.02883	5.4
97.06534	0.4
97.10161	0.3
99.04462	1.5
101.02362	2.0
105.07030	2.3
107.08598	1.9
107.33280	0.3
108.17397	0.4
109.02870	0.8
109.06525	0.3
109.10157	1.7
111.77468	0.4
115.03929	0.4
119.04922	0.6
119.08582	1.9
121.10159	1.4
123.11699	0.4
127.03944	1.5
129.07071	0.7
131.08630	0.8
133.10101	0.7
135.11719	0.8
137.83189	0.3
145.10146	0.8
147.04390	3.6
147.11743	1.1
149.13257	0.5
151.33734	0.3
161.13298	0.9
168.44022	0.3
171.11702	0.8
179.18823	0.3
185.04245	0.6
186.81038	0.4
203.05194	0.4
209.12204	0.3
243.08455	2.3
247.13158	1.4
250.78648	0.3
335.26041	0.9
465.21011	4.2
519.29218	9.4
646.27368	0.4
743.43365	100.0
744.43616	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.5375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.05525	7.0
57.07074	22.1
67.05499	19.7
69.07059	7.8
70.06586	2.8
71.08627	15.5
71.16890	2.0
71.17214	1.1
72.08150	77.1
79.05488	18.8
81.07052	21.4
83.08614	7.8
85.10181	6.2
91.05466	11.4
93.07038	23.4
95.04963	3.5
95.08606	18.0
97.10147	2.9
105.07018	7.8
107.08576	6.9
109.10159	7.9
117.07016	3.2
119.08546	4.4
121.10137	6.5
123.11725	2.1
131.08586	5.0
133.10118	3.2
135.11668	5.1
138.67821	0.9
138.70190	0.9
145.10080	2.9
147.11653	2.8
149.13219	2.7
159.11655	1.9
161.13235	2.3
163.14804	1.2
170.05765	35.4
173.13148	1.6
174.36739	0.9
175.14833	1.9
176.63603	0.9
189.16455	1.5
201.16338	1.2
239.23584	1.6
243.21059	2.3
261.22122	2.4
298.20010	1.0
317.24796	12.4
523.64404	1.0
573.48730	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	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01868	3.1
55.05508	26.7
57.03436	16.7
57.03902	1.9
57.07067	4.3
61.02922	4.1
65.03931	4.7
67.05500	86.6
69.03432	2.9
69.07063	24.9
69.55590	11.6
69.56007	4.5
71.04985	7.6
72.08134	1.7
75.91708	2.0
79.05489	71.8
81.03419	11.3
81.07053	100.0
83.04992	10.1
83.08610	17.3
85.02883	5.4
85.06545	6.8
91.05474	68.4
93.07040	90.2
93.07518	1.3
95.04967	14.4
95.08600	44.5
97.02855	3.1
97.06535	12.5
97.10167	5.7
98.21467	4.4
99.08051	3.1
103.05447	3.7
105.07024	62.2
107.04923	3.9
107.08588	52.2
109.06529	4.8
109.10142	13.1
111.08080	7.4
113.09620	2.1
115.05411	2.6
117.07017	27.2
119.07795	3.1
119.08587	44.3
121.06520	4.2
121.10134	29.8
123.11707	9.4
123.71496	2.0
125.09614	4.8
129.07007	10.1
131.08580	33.8
133.10130	54.9
135.08066	2.9
135.11693	27.0
142.07803	3.0
143.08553	9.3
145.10103	19.2
147.11684	36.3
149.09590	3.5
149.13258	25.3
151.11153	3.2
152.25272	2.1
155.08524	3.6
157.10088	10.3
159.11687	23.7
161.13232	20.6
163.11209	2.8
163.14818	4.1
169.10069	2.7
171.11656	12.1
173.13310	8.0
175.11183	3.6
175.14789	10.2
177.12779	5.5
185.13304	6.5
187.14792	4.9
193.12259	2.2
195.13799	22.9
195.15450	2.4
199.14827	6.2
213.14792	2.7
231.21080	6.7
241.19489	27.1
259.20566	66.1
261.22165	4.0
267.15918	14.2
269.17456	78.0
277.21646	3.1
285.16922	4.6
315.23209	7.0
333.24213	78.1
335.25833	12.5
417.31519	2.7
435.32343	4.7
453.33707	5.1
509.36569	4.3
527.29968	4.0
527.37354	63.4
545.38269	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.473
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90493	1.2
53.03941	5.6
55.01866	3.8
55.05508	23.8
56.35804	1.3
56.96558	1.4
57.03437	16.4
57.07069	5.1
59.04993	1.4
61.02924	2.1
65.03930	4.9
67.05501	85.7
69.03452	1.6
69.07060	30.8
71.04985	6.1
71.60120	2.7
72.08150	13.3
79.05487	70.6
81.03412	6.2
81.07050	100.0
83.04992	8.8
83.08610	17.2
85.02911	4.1
85.06546	8.3
91.05476	71.4
93.07038	94.1
95.04960	14.0
95.08598	45.8
97.02879	2.6
97.06525	11.8
97.10175	3.8
99.08071	6.1
103.05474	2.1
105.07024	62.8
107.04951	2.7
107.07859	2.8
107.08585	54.3
109.06523	5.2
109.10151	13.4
111.08083	5.9
113.09673	1.7
117.07010	21.9
119.08571	54.1
121.06484	2.3
121.10137	33.2
123.08047	3.1
123.11697	5.4
125.09608	1.7
128.06258	1.6
129.05530	1.8
129.06995	12.8
130.07791	1.2
131.08566	30.7
131.09523	2.4
133.10123	44.8
135.08073	3.7
135.11678	22.4
137.09625	2.2
139.11121	2.0
141.07019	1.4
142.07787	1.9
143.08537	7.6
145.10101	19.4
147.08076	1.2
147.11679	45.5
149.09654	3.2
149.13252	36.7
151.11237	2.2
155.08557	1.5
157.10100	8.7
159.11682	31.6
161.13269	29.7
163.11102	2.8
163.14754	3.1
165.12785	2.9
169.10060	2.6
171.03114	1.6
171.11655	11.7
173.13281	9.7
175.14812	15.8
177.12718	6.4
183.11705	2.6
185.13284	12.2
187.14842	3.7
189.12816	2.6
195.13817	13.3
197.13243	1.6
199.14879	6.0
201.16454	1.3
203.14409	1.6
225.79869	1.3
231.17557	1.6
231.20981	6.4
241.19501	31.0
257.19122	1.4
259.20557	77.8
261.22247	2.9
267.15933	13.3
269.17459	97.1
275.19980	1.6
304.93497	1.4
315.23080	7.6
333.24191	61.9
335.25970	1.5
349.23715	2.4
353.24554	1.6
374.66064	1.4
417.31885	1.6
435.32611	5.0
453.33496	5.8
471.34708	2.1
509.36108	2.9
517.38867	2.4
525.02295	1.5
527.37286	67.7
545.30438	1.6
545.38489	20.4
547.64001	1.3
573.37415	7.1
687.03119	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01865	3.3
55.05508	20.0
57.03428	15.0
57.07074	1.9
59.04993	1.2
61.02908	4.3
65.03922	2.1
67.05499	48.8
69.03413	5.3
69.07066	11.0
71.04974	4.9
71.51424	1.5
71.51775	1.5
73.02918	1.5
75.28358	1.2
79.05007	1.2
79.05485	37.9
81.03414	48.1
81.07050	55.7
83.04971	15.2
83.08612	21.0
85.02898	22.3
85.06547	3.2
91.03911	1.5
91.05475	36.2
93.07040	43.5
95.04361	1.6
95.04967	23.6
95.08595	31.5
97.02874	4.5
97.06504	4.5
97.10176	7.5
99.08090	1.9
105.07026	27.9
107.04926	7.2
107.08598	19.4
109.06493	5.1
109.10152	12.7
110.64709	1.3
111.04441	1.4
111.08075	9.8
113.06026	3.5
115.05351	1.4
117.06979	5.2
119.08576	22.1
121.06505	1.6
121.10137	20.0
121.10990	1.8
123.08035	3.0
123.11662	3.5
126.54578	1.1
129.07043	7.9
131.08562	13.5
133.06493	2.0
133.10124	15.1
135.11699	7.3
137.09619	1.9
137.13203	2.1
142.07755	1.4
145.10120	8.2
147.07976	1.6
147.11694	12.7
149.09595	4.2
149.13260	5.6
150.17006	1.4
157.10130	12.1
159.11708	3.8
161.13194	1.7
163.11206	1.3
163.14813	1.5
165.12733	2.6
166.53532	1.2
171.11555	1.4
172.23085	1.2
173.13268	2.8
175.11174	14.9
187.14806	1.3
192.10986	1.4
193.12233	42.6
197.13441	1.3
211.13278	73.3
226.41054	1.1
227.12909	1.4
243.21039	2.6
261.22153	9.9
267.15924	15.8
268.93137	1.3
285.16943	85.3
317.24768	4.3
333.24121	1.6
335.25763	81.6
435.04782	1.5
453.33759	1.9
527.37421	12.6
545.38361	100.0
546.38556	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	742.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01875	6.5
55.05510	21.0
57.03432	11.2
57.07079	1.5
63.32528	1.0
65.03935	1.5
67.05499	36.5
69.03417	7.9
69.07065	25.9
70.07494	5.7
71.01354	1.2
71.04977	4.4
71.08596	1.1
72.08146	6.6
79.05486	35.8
81.03406	7.8
81.07050	24.0
83.04969	7.7
83.08612	8.2
85.02909	3.2
85.06540	2.1
85.46748	1.1
91.05470	20.9
93.07037	35.1
94.75324	1.0
95.01336	1.1
95.04960	10.2
95.08601	12.5
97.02884	9.0
97.06524	7.9
97.10157	12.4
105.07031	12.9
107.04951	5.9
107.08586	25.9
109.06518	3.3
109.10143	7.7
111.04443	1.6
111.08076	2.3
115.05414	1.3
117.07008	6.5
119.04929	1.5
119.08580	11.3
121.06517	3.7
121.10136	8.8
123.08066	3.2
125.09602	7.9
129.07021	2.3
130.07809	1.1
131.08575	6.7
133.06503	2.8
133.10143	7.1
133.11023	1.3
135.08069	3.0
135.11678	30.2
137.09587	2.9
143.08519	2.0
145.10118	9.5
147.08022	4.8
147.11681	3.2
149.09660	1.3
149.13232	1.5
153.12733	3.1
157.10092	1.9
159.07887	1.3
159.11697	2.3
161.09647	3.8
163.11194	6.1
165.09097	1.9
170.05856	1.1
171.11737	1.4
181.12210	8.8
183.11594	1.1
185.13211	1.4
189.11206	3.1
199.13324	1.4
223.13260	13.5
227.12793	4.2
249.14969	2.8
255.15875	60.9
256.16235	1.4
273.18445	13.4
283.15521	1.1
290.89114	1.0
291.19513	93.2
292.19800	1.6
309.20306	1.5
328.97873	1.2
365.23218	31.9
447.27554	2.8
465.28320	1.8
522.49615	1.2
527.33661	1.5
539.37555	1.1
545.34662	100.0
546.34894	3.0
573.37988	2.3
731.37024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01873	3.3
55.05504	23.3
57.03434	19.5
57.07035	2.6
59.04959	0.8
60.70521	0.6
61.02922	4.6
65.03930	3.6
67.05500	65.2
69.03426	5.0
69.07059	17.1
69.30706	0.6
71.04989	6.9
71.08598	0.6
73.02866	1.9
77.03904	0.9
78.63029	0.6
79.05487	54.1
81.03413	52.2
81.03894	0.9
81.07050	69.7
82.07352	0.8
83.04975	14.9
83.08613	22.8
85.02898	24.7
85.06548	3.4
91.03926	1.8
91.05473	45.4
93.07037	55.2
95.04961	27.9
95.08599	45.3
95.09224	1.5
97.02891	4.9
97.06509	6.0
97.10169	5.1
98.20712	1.4
99.04458	1.2
99.08065	2.2
103.05412	0.9
105.04511	0.6
105.07022	31.4
107.04938	5.2
107.07863	1.2
107.08583	23.8
109.06511	4.8
109.10147	16.6
111.04401	2.1
111.07361	0.7
111.08070	9.7
113.05956	1.7
115.05401	2.4
117.07028	6.6
119.04882	1.2
119.08569	25.7
121.06413	0.9
121.10133	22.0
123.08054	4.1
123.11710	6.1
125.09579	1.9
127.03890	1.0
127.07510	0.8
128.06134	1.1
129.07001	10.0
131.08562	18.1
132.33060	0.6
133.06496	3.1
133.10123	16.8
135.07982	0.7
135.11696	11.5
137.09576	2.5
137.13219	1.4
139.11139	0.6
142.07729	2.1
143.08572	0.9
145.10097	8.6
147.08003	2.6
147.11678	17.4
149.09590	5.5
149.13245	5.3
155.08493	1.2
157.10127	11.8
159.11664	5.8
161.13226	3.8
163.11127	1.6
163.14778	2.6
165.12723	2.9
167.08508	0.6
169.10104	1.0
171.11601	0.8
173.13190	4.4
175.11165	11.9
175.14792	1.5
177.16306	0.6
181.12120	0.7
185.13249	0.8
187.14738	1.6
189.11229	1.0
193.12230	34.7
199.71101	0.6
201.16429	1.1
211.13272	48.4
212.13611	0.9
227.12708	0.9
227.20042	1.2
243.21027	3.5
249.14789	0.8
261.22101	10.9
267.15903	14.1
269.17575	1.4
285.16943	54.7
286.17264	0.7
301.25256	0.8
303.23428	0.7
317.24677	2.6
335.25772	92.3
336.26019	1.8
435.32483	1.5
453.33679	1.2
471.34631	1.0
527.29993	0.9
527.37396	12.7
545.38330	100.0
546.38794	2.7
573.48956	1.2
683.22650	0.6
703.27039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.9
55.02047	1.3
55.05398	8.5
55.05702	3.5
57.03323	5.7
57.03644	2.3
59.57145	0.6
61.02823	0.8
65.03840	1.4
67.05374	10.9
67.05781	2.9
69.03301	2.1
69.06938	4.0
69.07362	1.2
69.73286	4.4
71.04860	3.3
79.05355	17.0
79.05865	2.7
81.03278	32.8
81.03807	5.5
81.04082	1.2
81.06911	14.1
81.07439	2.5
83.04845	4.1
83.08472	11.1
83.09027	2.2
85.02758	2.1
85.03226	0.7
85.06448	1.0
91.05332	12.6
91.05943	1.3
93.06888	14.2
93.07533	2.0
95.04814	17.3
95.05470	2.2
95.08450	7.4
97.02757	1.2
97.06393	2.5
97.10017	10.4
97.10686	1.1
105.06863	9.7
107.04790	12.8
107.08431	10.8
109.06358	11.1
109.09985	4.9
111.04294	0.9
111.07912	3.1
111.08617	0.9
115.05312	0.9
117.06851	3.8
118.00685	0.7
119.04827	0.9
119.08408	8.7
121.06338	8.9
121.09973	9.3
121.10925	1.4
123.04285	1.6
123.07906	4.1
125.05907	1.1
125.09460	10.1
127.03778	1.1
129.06830	5.7
131.04773	1.9
131.08386	9.6
133.06319	4.0
133.09920	4.1
135.07875	6.0
135.11572	1.4
137.05894	0.9
137.09479	1.6
139.11012	1.9
142.07582	1.2
143.08408	1.6
145.06508	4.0
145.10117	3.3
147.04219	3.1
147.08040	4.2
147.11499	5.6
149.05934	0.7
149.09587	4.9
153.08958	2.0
155.08415	1.5
157.06401	1.2
157.10097	6.1
159.07983	1.7
161.09462	1.6
163.07401	1.0
163.11145	3.5
165.12643	1.2
167.06923	1.3
167.08340	0.9
169.09953	1.5
171.10106	0.9
171.11501	1.5
173.05840	0.7
173.09529	1.4
173.11696	0.7
173.13074	2.4
175.11179	4.3
177.12569	1.1
181.04669	0.9
181.06357	0.7
185.09460	0.9
187.11090	1.0
189.11052	4.7
189.12640	1.6
191.10562	0.9
191.14160	2.2
193.12222	13.2
195.11493	0.9
197.13133	1.3
199.11096	0.9
201.12509	1.2
205.12175	1.4
211.13100	2.1
213.12616	1.2
215.14063	1.5
219.13799	11.1
223.13072	1.2
225.12622	1.2
227.12602	3.0
227.32445	0.7
229.14272	0.9
231.13683	1.6
233.15216	2.8
235.13135	1.5
237.14786	0.9
241.14223	1.3
249.14729	1.5
255.13844	1.0
259.15399	7.2
267.15906	40.1
273.14664	4.6
275.16376	1.3
285.16971	1.2
289.17920	0.9
293.17496	6.1
299.15427	0.7
317.15936	0.8
339.23059	2.2
349.21552	5.4
357.23904	0.8
367.22635	13.7
385.23703	22.4
403.24844	9.3
409.78964	0.7
433.25183	1.0
441.26294	5.4
451.27090	4.3
459.27383	100.0
460.27585	2.3
477.28464	94.5
478.28976	2.0
491.30200	8.6
495.29361	8.1
501.28561	3.3
509.30963	3.0
519.28925	1.0
527.28687	1.5
567.29559	2.4
585.30432	0.9
712.26770	0.7
742.53406	0.9
754.05402	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01856	2.2
55.05494	4.2
57.03178	1.4
57.03434	13.8
59.04970	1.3
59.86330	1.1
67.05486	1.8
67.92943	1.2
69.03426	16.0
69.18307	1.1
70.05545	4.8
71.01356	2.8
71.04990	78.3
73.02905	9.8
75.04468	3.1
75.11595	1.2
79.01240	1.1
79.05504	1.4
81.03417	1.4
83.04978	25.2
85.02901	100.0
87.04446	1.7
95.04948	4.7
99.04443	6.0
108.20700	1.1
109.02870	2.5
111.04440	16.9
113.06001	1.5
117.05493	5.7
121.02792	1.6
127.03884	3.8
129.05478	30.2
135.04439	1.3
137.02313	10.3
137.05995	1.3
139.03958	1.1
147.06471	8.3
151.03897	1.1
151.07521	1.4
151.37363	1.1
153.01799	2.1
153.05434	5.5
157.04919	2.3
161.86438	1.2
163.06006	10.2
165.01784	1.9
171.06488	3.3
183.06583	1.4
187.03769	1.2
189.07602	1.1
201.05576	1.1
201.07483	1.1
213.07457	1.3
229.04951	3.4
239.09062	8.2
257.04510	1.3
257.10242	2.5
259.05902	1.3
275.11218	3.7
285.03873	1.5
287.05606	3.4
293.12469	1.4
299.05408	4.2
302.04123	1.9
303.04977	81.8
304.05356	1.6
312.07040	1.2
313.07065	1.1
315.04962	21.1
316.05786	2.7
327.04950	9.4
329.06705	1.6
339.04984	1.6
341.06619	5.3
343.08234	1.3
345.06039	42.9
353.06531	2.0
357.05960	2.3
367.08206	1.8
369.06027	14.8
387.06906	2.0
393.26672	1.2
395.07504	11.2
413.08676	27.7
413.14096	2.1
431.09665	17.9
437.08350	2.2
449.10782	49.7
455.09616	2.2
473.10431	2.7
491.11816	1.8
541.13007	2.2
559.13940	2.1
577.14972	2.1
595.16541	21.0
741.26880	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01862	0.6
55.05511	7.1
55.81133	0.3
56.05033	1.0
57.03434	0.8
57.05821	0.8
57.07076	19.8
57.70248	0.3
65.03922	1.0
66.88899	0.3
67.05502	16.1
69.07067	7.3
69.27221	1.0
69.27631	3.2
70.06586	2.6
71.04995	0.4
71.08631	13.8
71.25525	0.3
72.08152	80.8
79.05495	11.7
79.05954	0.8
81.07058	15.3
83.04996	0.5
83.08618	6.0
85.06522	0.8
85.10178	6.5
87.24078	0.4
90.09169	0.7
91.05476	20.1
93.07040	11.2
95.04980	1.7
95.08604	17.5
97.10172	3.1
103.05532	0.8
105.04495	0.5
105.07026	20.9
107.08584	5.5
109.06573	0.6
109.10153	6.6
111.11706	0.9
115.05489	0.6
117.07018	7.8
119.08575	15.7
121.10143	3.0
123.11720	2.0
128.06213	0.9
129.07007	2.9
130.07750	0.8
131.08557	8.7
133.10129	10.8
133.11073	0.7
135.11699	0.9
137.13208	0.8
142.07774	0.6
143.08546	3.2
145.10121	7.8
147.11685	4.5
149.09682	0.4
157.10106	2.1
159.11702	7.1
161.13271	1.6
163.11191	0.4
170.05766	36.7
171.11681	2.3
173.13254	3.6
173.34460	0.4
175.14775	0.5
177.12895	0.4
183.11725	0.5
185.13232	1.8
187.14870	1.6
197.13261	0.5
199.14835	1.2
209.13319	0.4
213.16336	0.4
231.20911	0.4
239.23723	2.2
241.19557	0.9
242.77744	0.4
247.17213	0.5
249.18723	0.4
256.20584	0.4
259.20520	4.8
297.22208	1.0
313.27414	1.5
315.23166	15.9
354.07263	0.4
448.26852	0.4
457.87680	0.5
464.31256	0.5
482.32635	0.6
571.47192	100.0
572.47632	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	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64861	1.8
53.03929	5.9
55.01858	5.0
55.05508	16.5
57.03439	5.2
65.03941	2.0
67.05501	38.1
69.03407	3.7
69.07059	15.5
71.04962	2.4
71.29635	1.9
71.59856	3.0
72.08147	1.9
79.05483	31.0
81.03403	5.6
81.07053	48.8
83.04971	8.5
83.08610	11.0
85.02888	3.2
85.06513	2.5
91.05472	31.5
93.07032	31.9
95.04971	8.8
95.08592	25.0
97.02873	2.1
97.06515	7.7
97.10143	4.5
103.05491	2.0
105.07021	35.9
107.04929	6.9
107.08588	19.3
109.06503	2.9
109.10158	8.4
111.08038	2.3
117.07005	8.0
119.08569	20.8
121.06520	2.9
121.10152	8.3
123.08039	4.1
123.11684	1.8
125.09650	2.7
126.21835	1.7
128.06273	1.9
129.07005	4.7
131.08522	13.0
133.06546	2.4
133.10097	18.9
135.11681	6.0
137.09642	2.2
143.08565	5.5
145.10103	9.0
147.08098	2.4
147.11667	12.4
149.09610	3.0
149.13249	6.1
157.10095	6.6
159.11707	7.6
161.09593	2.4
161.13281	3.9
163.11191	2.6
169.10046	4.2
171.11690	6.1
173.13243	3.8
185.13309	2.1
197.13286	3.9
207.13719	3.2
247.20726	2.0
257.19000	3.1
269.17471	16.6
275.20102	16.9
281.17471	6.3
283.15405	5.4
293.21362	2.1
335.25732	3.9
337.23651	4.2
349.23688	6.6
428.22595	2.4
433.31125	2.9
451.32245	3.1
469.33109	2.0
487.34113	3.6
525.35632	7.1
543.36774	100.0
544.36938	3.2
561.37671	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	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01871	5.2
55.05508	12.6
57.03422	4.2
57.07064	2.0
61.02916	1.3
65.03925	1.0
67.05500	27.4
69.03413	1.1
69.07063	17.1
70.13036	4.2
71.04979	1.9
72.08141	1.4
72.30137	1.0
79.05483	20.7
81.03400	2.6
81.07053	34.4
83.04981	4.4
83.08614	8.6
85.02908	1.3
85.06573	1.1
91.05472	24.2
93.07035	26.9
95.01313	2.4
95.04977	5.2
95.08604	16.9
97.02853	1.6
97.06534	13.0
97.10162	2.6
99.08124	2.0
105.07021	33.6
107.04939	5.9
107.08595	16.8
109.06489	1.3
109.10155	6.3
111.08080	3.7
117.06996	9.2
119.08583	17.0
121.10138	9.0
123.11725	1.6
125.09630	2.1
129.06993	4.4
130.07790	1.1
131.08560	14.6
133.06491	1.2
133.10121	18.5
135.08029	2.6
135.11700	6.0
139.07539	1.1
141.06950	1.9
143.08524	3.3
145.10110	7.6
147.08083	1.5
147.11665	8.5
149.09599	3.2
149.13254	8.9
151.11185	1.8
155.08542	2.5
155.38156	0.9
157.10149	3.5
159.11679	7.7
161.13261	1.7
163.11255	2.5
169.10153	3.2
171.11755	2.1
173.13257	2.9
177.12695	2.6
178.84576	1.1
179.14296	4.5
181.10167	1.1
183.11659	2.4
185.13161	1.7
193.88971	0.9
195.11606	1.4
195.13788	2.2
197.13287	1.4
209.13234	1.8
227.12706	1.9
239.17935	1.3
247.20596	1.2
251.16428	1.7
257.19022	3.5
269.17468	30.1
275.20044	28.4
276.20547	1.2
279.15872	1.3
283.15579	1.5
293.21060	2.7
335.25919	2.5
349.16110	1.0
349.23755	12.5
350.23383	1.2
365.24011	1.3
382.12909	1.0
431.28088	1.4
433.30322	2.4
445.29761	2.2
451.32059	2.1
514.45270	1.2
515.37714	1.5
525.35822	6.8
543.36774	100.0
544.36981	4.3
561.37793	3.0
741.41602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01861	9.4
55.05505	29.5
57.03421	7.7
57.74895	3.3
61.02908	10.1
65.03909	3.6
67.05502	66.8
68.93779	2.8
69.03421	4.9
69.07066	51.3
71.04979	6.5
71.08615	3.7
71.59173	3.6
72.08142	5.5
79.05491	45.9
81.03415	14.1
81.07052	81.9
82.30891	3.4
83.04976	11.0
83.08601	22.0
85.02914	12.1
85.06562	4.8
91.05473	49.8
93.07042	59.0
95.04942	16.0
95.08606	48.4
97.02901	7.9
97.06539	24.5
97.10199	9.1
105.07034	54.1
107.04984	7.9
107.08589	35.9
108.90800	3.9
109.02824	3.7
109.06541	4.9
109.10155	20.4
117.06998	24.4
119.08563	49.2
121.06477	6.1
121.10117	22.9
123.08086	6.1
123.11738	6.8
125.09611	5.2
127.03900	4.5
129.07001	11.2
131.08551	38.5
133.06476	6.8
133.10129	32.5
135.08090	5.5
135.11691	12.5
137.09586	5.9
141.06987	7.6
143.08557	18.8
145.10115	28.4
147.08112	4.4
147.11668	21.0
149.09627	11.8
149.13243	9.9
155.08534	13.0
157.10100	18.3
159.11723	21.4
161.13254	8.9
163.11157	6.1
169.10176	12.1
171.11662	15.3
173.13246	13.0
177.12788	5.9
177.35760	3.1
179.08516	6.0
181.10172	7.6
183.11667	10.3
184.07362	7.2
185.13316	8.7
187.14877	4.7
189.12727	3.5
195.11749	7.4
195.13805	5.8
197.13254	9.6
199.14783	5.0
209.13300	6.1
211.14903	4.8
221.13295	4.3
223.14844	4.6
225.16650	3.4
235.14778	4.7
269.17422	5.8
275.20078	14.7
335.50381	3.3
339.23169	4.8
349.24002	6.4
352.07916	3.1
400.37393	3.3
431.27890	22.4
433.30853	10.3
449.28912	7.2
451.32034	11.0
469.32971	12.6
487.33917	9.0
489.35724	5.8
505.34137	4.4
507.34796	4.4
515.37097	5.4
525.35736	35.6
543.36829	100.0
544.36945	5.3
561.37720	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
53.47208	1.5
55.01863	9.7
55.05257	2.4
55.05505	33.4
57.03437	18.6
57.07063	3.2
59.04996	1.8
61.02909	8.9
65.03918	4.1
67.05498	71.5
69.03419	3.3
69.07062	19.2
70.15661	5.6
71.01347	2.2
71.04993	7.6
71.08653	1.8
72.08141	2.7
79.05485	53.8
81.03411	12.8
81.07050	71.0
83.01334	9.4
83.04986	13.5
83.08607	17.9
85.02894	7.2
85.06531	1.8
91.03969	2.2
91.05475	36.1
93.07037	70.8
95.04961	12.3
95.08602	54.2
97.02869	7.4
97.06516	6.2
97.10155	6.4
99.04471	2.4
105.07025	28.8
107.04951	6.9
107.08589	39.5
109.06484	9.4
109.10147	19.6
111.04427	1.8
111.08070	3.1
117.06995	14.1
118.73734	2.1
119.08576	19.2
121.06488	5.0
121.10133	26.8
123.07300	1.5
123.08022	9.4
123.11703	5.8
125.05994	2.6
125.09598	3.8
129.06993	2.2
130.07771	1.6
131.08545	16.6
133.10107	9.7
135.08032	1.7
135.11691	24.5
136.17142	1.9
137.09604	3.5
143.08534	3.3
145.10109	25.0
147.07962	2.1
147.11659	8.4
149.09602	1.6
149.13228	6.2
153.12680	3.5
155.08571	2.9
157.10104	2.6
159.11699	6.7
159.88873	1.7
161.13251	4.8
163.11186	27.7
163.14842	3.5
171.11705	2.0
173.09610	3.3
173.13281	5.2
181.12228	6.4
187.14845	2.2
191.10646	2.4
193.12224	2.1
209.11728	5.0
211.13397	2.4
227.12737	14.6
243.21085	4.9
261.22171	16.9
267.16028	2.3
275.20187	1.8
283.15375	93.1
299.23706	4.5
317.24750	4.6
335.25769	100.0
336.26111	2.2
433.31024	2.4
451.31863	2.3
472.20837	1.7
472.74295	1.6
525.35486	4.8
543.36731	80.0
544.36816	4.7
561.37445	3.5
643.44653	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	740.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.8
53.89961	0.4
55.01871	2.3
55.05508	11.6
57.03433	7.7
57.07045	1.4
61.02905	1.0
65.03913	1.6
67.05499	37.6
69.03393	1.2
69.07059	9.9
71.04958	1.8
71.52277	0.3
73.02901	0.7
77.03905	0.4
79.05486	30.7
80.05794	0.6
81.03407	2.1
81.07050	35.9
83.04973	2.6
83.08141	0.5
83.08613	8.4
85.02866	1.2
85.06512	1.4
87.76083	0.4
91.05473	12.6
93.07034	41.4
95.04360	0.5
95.04956	7.3
95.08598	41.8
96.08875	0.5
97.02885	3.1
97.06526	3.0
97.10137	1.3
98.21487	1.5
99.04436	2.6
99.08056	0.8
103.05452	0.5
105.04534	1.0
105.07024	9.9
107.04270	0.6
107.04948	6.5
107.08584	26.6
109.06518	2.4
109.10141	9.9
111.04427	0.7
111.08042	1.5
113.05949	0.6
115.05443	0.5
117.07001	8.5
119.08570	10.8
119.25565	0.5
121.06500	3.3
121.10137	16.3
123.08043	0.6
123.11694	3.1
125.05948	2.0
129.06995	0.5
130.07716	1.2
131.08549	4.0
133.10123	5.2
135.08009	1.5
135.11678	34.2
136.11957	0.8
137.13199	1.0
139.07513	0.9
143.08537	0.7
145.10114	20.2
146.10477	0.4
147.11661	2.8
149.13246	2.9
151.11119	0.5
159.11682	2.3
161.13226	1.9
163.11165	39.1
163.14771	0.9
173.07588	0.4
173.09663	0.5
173.13226	1.6
175.14740	0.8
177.16364	0.6
181.12206	6.8
187.14703	0.8
209.11676	0.6
209.73486	0.4
227.12761	53.7
228.13089	1.1
243.21153	2.3
261.22153	5.6
283.15378	48.2
284.15530	1.0
306.23044	0.4
317.24844	1.9
335.25763	100.0
336.26202	2.5
399.89218	0.4
503.37613	0.9
515.37769	0.4
543.36780	78.8
544.37146	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	740.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.6
55.01875	3.6
55.05509	16.0
57.03432	10.4
57.07051	1.6
61.02906	1.3
65.03928	1.5
65.39091	0.6
67.05500	47.0
69.03387	2.0
69.07064	12.5
70.18095	2.8
71.04997	3.5
72.08122	0.7
73.02901	1.4
77.03880	0.8
79.05487	43.6
81.03398	2.9
81.07052	48.7
81.62992	0.8
83.04960	4.5
83.08614	12.4
85.02856	1.2
85.06513	1.1
86.97162	0.7
91.05473	16.6
93.07037	55.8
95.04971	9.2
95.08599	59.8
97.02890	4.5
97.06519	5.2
97.10131	2.7
99.04453	4.7
99.08064	1.0
103.05474	1.0
105.04571	0.8
105.07021	14.1
107.04955	9.2
107.08591	38.2
109.06483	3.0
109.09470	0.7
109.10155	13.2
111.04389	1.8
111.08025	2.0
113.06015	1.3
115.05417	1.2
117.07010	11.8
119.08574	14.7
121.06509	6.1
121.10136	23.6
123.08021	0.7
123.11709	3.3
125.05981	4.0
125.09609	0.7
128.06186	0.7
130.07730	1.9
131.08566	5.6
132.25906	0.6
133.10136	6.9
135.08131	3.2
135.11681	59.0
137.13214	0.8
139.07520	1.9
145.10115	34.9
146.10426	0.7
147.11676	2.4
149.13231	3.8
153.12756	1.3
159.11664	2.3
161.13216	2.0
163.11169	71.4
163.14760	1.5
164.11484	1.3
173.09622	0.9
173.13254	2.1
175.14841	1.0
177.16338	0.9
179.89267	0.7
181.12213	11.8
187.14787	1.0
209.11665	1.0
227.12766	91.3
228.13135	1.8
243.21043	3.3
261.22116	8.2
269.17313	0.7
283.15378	97.5
284.15710	2.3
317.24689	2.4
335.25781	100.0
336.26242	3.0
344.82571	0.6
354.83267	0.7
480.17792	0.7
494.11050	0.8
543.36780	90.8
544.37177	3.4
561.38068	1.0
740.40179	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01862	1.6
55.05507	6.0
57.03435	5.2
59.04980	0.7
61.02894	0.6
65.03949	0.7
67.05500	19.6
69.03424	1.3
69.07063	3.5
70.85835	1.3
71.04992	7.1
75.24408	0.4
79.05486	11.0
81.03411	18.0
81.07049	29.4
83.04985	2.6
83.08618	6.7
85.02885	1.4
85.06538	2.9
86.90805	0.4
87.04436	0.6
88.80537	0.4
91.05472	12.1
91.06007	0.9
92.05808	0.5
93.03381	0.7
93.07040	9.1
95.04958	10.1
95.08606	5.8
97.02911	1.2
97.06531	2.6
97.10146	3.3
99.04477	0.6
99.08124	0.6
105.07019	8.3
107.04957	7.0
107.08586	8.1
109.06520	5.5
109.10129	4.7
111.04445	0.7
111.08066	2.3
117.06998	3.2
119.04967	0.6
119.08559	5.7
121.06503	6.5
121.10159	4.5
123.08095	1.7
123.11707	3.4
125.09616	2.3
129.07008	3.0
131.04944	0.7
131.08545	6.5
132.62737	0.4
133.06468	1.5
133.10123	7.5
135.08052	2.7
135.11711	1.6
137.09618	1.0
141.06976	0.7
142.07796	0.7
143.08557	1.7
145.06493	1.1
145.10114	2.6
147.08090	1.5
147.11682	3.2
149.09625	3.4
149.13274	1.9
151.11131	2.2
155.08530	0.7
157.10129	3.5
159.08052	1.0
159.11700	1.6
161.09596	1.1
161.13345	0.6
163.11208	1.8
169.12190	0.7
171.08098	0.6
171.11694	1.8
173.09579	0.6
173.11861	0.6
173.13271	2.4
175.11195	1.9
177.12750	1.9
183.11766	0.8
183.13683	0.4
185.09576	0.5
185.13229	0.8
187.11125	0.6
187.13280	1.3
189.09058	0.7
189.11191	1.4
189.12718	0.8
191.14323	2.1
193.12216	3.9
195.11829	0.6
195.13791	1.1
199.14873	0.8
201.12732	1.1
203.14322	0.6
205.12230	0.9
217.15953	0.8
219.13708	2.3
219.17477	0.8
221.15378	0.8
223.13234	1.0
225.12703	0.7
225.14857	0.6
227.12688	0.5
229.14227	0.7
231.13800	0.7
249.14803	1.1
257.17557	1.0
267.15872	10.0
269.17432	1.8
273.18356	0.5
275.16397	1.2
275.20139	0.6
276.03885	0.5
276.23242	0.6
285.16779	0.7
287.16730	0.6
301.20090	3.7
317.16663	0.5
325.21799	1.0
343.22739	3.6
351.23123	0.8
353.24866	0.5
361.23724	0.9
369.24210	1.8
371.25916	1.0
387.25363	1.4
390.43622	0.5
392.19864	0.5
407.25821	1.0
417.26349	3.0
425.26886	1.8
435.27371	13.7
439.26425	0.9
443.27951	8.2
461.28955	100.0
462.29199	3.6
475.30508	1.8
493.31723	5.9
601.33783	0.8
627.33197	0.6
637.35474	0.6
741.35120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01871	14.4
55.05512	25.2
57.03440	26.4
57.07066	1.7
59.05000	11.8
61.02928	4.1
65.03935	3.1
67.05503	60.1
68.05854	1.9
69.03430	7.6
69.07069	11.1
71.01331	2.6
71.04993	7.6
71.18217	4.3
73.02903	3.2
79.05493	37.5
79.05954	1.9
81.03415	100.0
81.07056	38.7
82.04207	2.4
83.04977	21.0
83.08614	31.4
85.02912	12.5
85.06535	4.0
87.04467	13.5
91.03967	2.7
91.05478	42.4
93.07043	32.4
95.04968	41.7
95.08606	14.5
97.02895	8.5
97.06542	10.2
97.10166	17.7
98.07321	4.6
99.04433	4.4
99.08103	3.6
99.72418	1.5
100.08373	1.3
105.07030	23.3
106.32928	1.6
107.04948	20.0
107.08584	20.3
109.02908	2.8
109.06509	7.6
109.10149	30.4
109.10825	2.7
111.04424	11.2
111.08073	15.1
113.05987	2.5
115.05509	2.5
116.04719	9.6
117.05487	2.1
117.07034	6.5
119.04980	2.5
119.08582	24.0
121.02860	3.4
121.06517	8.0
121.10147	11.6
123.01593	1.3
123.04456	3.8
123.08054	6.4
123.11693	1.6
125.09628	18.5
127.03933	2.0
128.06201	2.0
129.05481	25.7
129.06987	15.1
129.68073	1.6
130.07777	1.3
131.04950	1.8
131.08575	16.1
133.06468	6.1
133.10129	12.9
135.04417	2.8
135.08058	5.1
135.11671	12.4
137.09625	5.5
142.07782	3.1
143.06993	8.0
143.08606	1.8
145.06461	2.3
145.10094	8.3
147.04413	3.1
147.08028	7.1
147.11678	14.4
149.09616	11.2
151.11127	1.6
153.09138	1.6
153.12727	17.4
155.08560	3.1
155.10660	1.8
157.08627	10.8
157.10146	14.4
159.11719	1.6
161.09615	2.3
163.11194	16.8
165.12764	3.3
171.10162	4.5
173.09639	4.9
173.11758	11.9
173.13210	2.3
175.11165	16.9
180.44283	1.6
181.12216	17.4
183.11734	2.6
189.11217	14.2
189.12752	2.2
191.10669	9.2
193.12242	48.1
199.13284	7.5
200.13933	1.6
201.12874	3.3
201.14777	3.1
205.12216	1.8
209.11743	8.7
211.13258	28.6
219.13750	3.6
227.12759	33.6
229.12268	1.7
229.14349	29.0
231.13840	2.0
241.14450	1.6
247.13271	23.6
249.14821	3.9
255.15977	2.2
259.13455	1.9
265.14465	2.4
267.15912	79.1
283.15436	11.6
285.16928	12.5
301.16479	38.2
321.13437	1.7
321.17001	5.9
383.22092	5.9
401.23318	3.5
421.25909	6.7
427.26590	2.4
439.26920	26.1
459.27368	4.0
461.28925	4.0
475.26932	11.4
476.27292	2.1
493.21198	2.4
493.27948	33.8
508.70679	1.9
525.30652	4.2
543.31665	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.6
55.01867	8.9
55.05508	38.1
57.03436	28.0
59.04698	1.8
59.05000	36.6
61.02924	6.1
65.03935	2.9
67.05502	100.0
69.03433	10.3
69.07070	15.8
71.04990	18.4
71.34019	2.1
73.02923	3.3
79.05492	45.4
81.03415	74.5
81.07053	51.0
83.04976	20.4
83.08620	34.7
85.02904	25.8
85.06564	6.7
87.04466	45.6
88.04807	1.3
91.03939	2.3
91.05476	50.0
93.07040	28.2
95.04968	30.6
95.08601	20.8
95.82926	1.0
96.08907	1.2
97.02874	9.0
97.06517	9.2
97.10161	18.5
99.04456	20.2
99.08080	1.4
105.07027	32.4
106.47697	1.2
107.04949	13.6
107.08579	15.0
109.02876	1.4
109.06470	6.8
109.10151	71.0
111.04430	6.5
111.08071	13.2
113.05989	2.2
114.11741	1.2
115.05405	1.8
117.07037	4.9
119.04956	1.6
119.08576	30.0
121.06506	4.6
121.10137	15.0
123.04441	2.4
123.08070	3.2
123.11695	2.4
125.05967	2.2
125.09633	13.2
127.03896	2.6
129.05499	1.5
129.06987	14.2
130.65378	1.1
131.08556	16.7
133.06508	3.1
133.10120	16.2
135.08060	1.6
135.11679	6.4
137.09596	5.7
142.07773	3.7
143.10612	1.8
145.10117	7.6
147.08044	4.9
147.11678	14.8
149.09642	7.3
151.11137	2.0
153.12746	5.1
155.10654	4.3
157.10123	15.9
163.11174	8.1
165.12744	3.0
173.09554	1.7
173.11754	23.2
175.11211	16.5
181.12245	3.7
189.11165	2.3
191.10725	4.0
193.12241	51.5
194.12540	2.2
199.13303	10.4
209.11732	4.5
211.13290	77.8
217.14246	1.9
223.13367	2.6
227.12718	8.2
229.14349	76.9
230.14565	1.6
234.82169	1.1
241.14389	5.6
247.01808	1.1
247.13399	2.2
249.14938	1.6
267.15891	35.4
275.20120	1.4
283.15463	7.1
285.16962	53.8
313.16504	3.3
315.18195	5.9
383.22235	2.5
391.24866	2.1
409.25797	6.9
421.25833	25.2
427.27029	8.2
435.27118	1.5
439.26913	96.7
461.28931	4.5
475.26572	2.5
493.27939	3.2
525.30792	6.1
543.31488	4.7
559.90710	1.4
638.20129	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.3
55.01866	34.3
55.05260	2.6
55.05507	38.2
57.03429	19.5
57.07063	3.5
59.05003	2.5
61.02919	17.6
65.03923	6.9
66.07426	1.9
67.05501	86.9
69.03433	23.6
69.06711	3.3
69.07061	31.5
71.01349	3.8
71.04993	13.5
71.60207	2.5
73.02902	9.6
73.06530	2.3
77.03923	2.5
79.05491	80.4
81.03413	76.5
81.07052	100.0
83.04981	26.4
83.08617	38.6
85.02902	35.4
85.06540	6.3
91.03950	11.0
91.05477	92.5
91.05960	1.3
91.06077	2.7
92.05769	2.5
93.07037	78.9
95.04971	42.7
95.08604	39.3
97.02901	19.7
97.06523	46.9
97.10167	24.5
99.04446	3.7
99.08096	4.4
101.02357	3.7
105.04495	3.9
105.07025	78.6
107.04956	29.1
107.08588	59.5
109.02860	6.2
109.06526	14.9
109.10146	21.6
111.04413	6.2
111.08067	14.2
113.05972	5.2
115.05398	2.8
117.07011	24.1
119.04889	2.2
119.07778	4.2
119.08574	52.4
121.06487	8.6
121.10142	24.3
123.04387	2.5
123.08050	9.8
123.11688	6.1
125.09630	21.6
127.03895	7.5
127.07511	2.4
128.06218	6.2
129.05484	4.7
129.07004	19.3
131.08557	35.5
131.78989	2.2
133.06487	7.2
133.10123	43.2
133.50848	2.1
135.04398	2.1
135.08043	12.1
135.11678	11.1
137.09576	8.6
141.07010	4.3
142.07747	4.2
143.08553	10.4
145.06462	3.8
145.10104	25.3
145.41203	2.1
147.08029	6.3
147.11682	37.7
149.09621	32.6
149.13223	5.0
151.07561	2.5
151.11159	3.0
155.08553	7.0
157.10106	21.1
159.08081	2.6
159.11703	16.6
161.09610	4.2
161.13257	6.5
163.11197	16.3
165.12727	7.1
167.08525	3.0
169.10114	3.9
169.12282	3.3
171.10324	3.8
171.11583	11.2
173.04514	3.4
173.09625	3.9
173.11757	3.2
173.13255	6.7
175.11188	16.1
177.12750	6.2
183.11703	4.4
185.13301	4.0
187.11188	4.1
187.14801	2.5
189.11246	17.4
189.12769	3.4
193.12244	52.2
195.11578	2.7
197.13214	2.6
205.12238	2.7
211.13280	66.9
227.12770	37.0
229.14322	5.1
229.19571	2.2
239.17920	3.4
245.14047	4.1
247.20476	4.0
253.14244	2.3
257.18985	14.2
267.15839	30.5
267.18152	2.9
269.17368	5.9
273.18372	4.3
275.20053	92.5
283.15274	2.6
285.16971	47.2
291.19568	6.6
293.21103	8.1
313.21640	2.6
331.22504	3.3
349.23703	52.0
367.24930	3.0
381.22678	5.4
437.25314	5.7
445.29385	2.6
461.28668	3.6
463.30359	6.9
479.29898	3.5
515.33905	3.5
533.34558	2.7
541.35193	22.9
559.36261	45.6
577.37183	30.3
623.34271	2.8
739.37915	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	739.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.8
54.03632	4.1
55.01858	14.7
55.05510	28.5
57.03443	17.4
61.02917	7.7
65.03921	4.6
67.05170	5.6
67.05506	77.6
69.03419	15.3
69.07063	20.0
70.26919	13.2
71.04981	15.7
73.02911	6.0
79.05488	66.9
81.02980	5.8
81.03417	83.1
81.07057	100.0
82.07349	3.3
83.04979	28.9
83.08612	24.5
85.02908	21.6
85.06569	4.9
91.03939	7.3
91.04960	6.0
91.05480	76.7
92.05830	4.7
93.07051	66.7
95.04964	37.6
95.08608	38.5
95.63593	3.5
97.02886	19.7
97.06549	17.6
97.10138	11.6
99.04404	5.8
99.08090	6.9
104.48884	3.5
105.07028	65.2
107.04958	20.7
107.08603	41.8
109.02853	5.7
109.06506	17.8
109.10126	22.0
111.04446	7.9
111.08048	10.4
113.06010	5.1
115.05489	4.3
117.07048	22.2
119.08580	50.9
121.06474	13.0
121.10136	23.9
123.08047	7.7
123.11691	7.7
125.09616	10.3
127.03896	6.5
129.05484	4.6
129.06992	14.0
130.59438	3.9
131.08588	27.8
133.10117	44.2
135.08047	11.8
135.11653	10.9
137.09593	6.6
143.08527	7.7
145.10121	22.9
145.84146	3.7
147.08006	8.7
147.11707	21.6
149.09624	17.6
149.13240	5.0
151.11168	9.7
155.08540	6.6
157.10141	16.2
159.11693	13.3
161.09676	5.7
161.13274	4.1
163.11189	11.4
165.12871	6.5
169.10088	3.6
171.11606	5.7
173.04332	5.3
173.13232	6.5
175.11188	16.8
175.15051	4.0
177.12764	5.0
185.13200	4.4
189.11174	4.0
193.12263	27.0
194.76495	3.6
211.13274	43.1
217.61240	4.0
227.12691	5.1
229.14238	4.3
239.17989	5.2
253.14333	12.8
257.18942	10.4
267.15887	30.1
269.17587	8.8
273.18430	5.9
275.20044	54.5
285.16904	36.4
291.19522	9.0
328.40402	4.3
341.21176	3.6
349.23734	40.3
413.21490	3.9
422.92029	3.9
461.28909	9.7
475.26901	3.9
479.29953	12.8
485.32608	4.9
541.35449	22.5
559.36182	43.0
577.37354	21.6
620.69086	4.4
623.33948	8.7
721.41443	6.7
721.62073	4.2
739.36377	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	738.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.05509	14.0
57.03427	4.7
57.07058	1.9
61.31040	1.2
63.75734	1.2
65.03950	1.7
67.05502	41.3
69.07075	10.2
69.92166	6.6
71.04987	1.3
72.08154	1.5
79.05490	47.3
80.21837	1.1
81.03415	4.1
81.07053	36.4
83.04971	6.7
83.08610	4.7
85.06524	2.2
85.47204	1.0
91.05479	34.5
91.26394	1.2
93.07039	46.8
93.07627	2.6
95.04958	12.4
95.08605	26.3
97.02858	1.5
97.06528	2.2
97.10130	1.7
99.08077	1.5
105.07030	21.8
107.04980	2.2
107.08591	14.0
109.06521	4.1
109.10136	6.2
115.05402	1.8
117.07015	4.2
119.08589	16.3
121.06503	1.4
121.10121	7.5
123.08051	2.7
129.06981	6.5
131.08580	3.5
133.10109	7.5
135.11687	6.1
143.08549	4.7
145.10101	7.7
147.11681	17.2
149.13222	2.1
153.47783	1.2
159.11714	2.6
161.13260	6.5
171.11694	10.8
189.12740	3.7
207.13794	15.2
261.22165	3.5
281.17474	37.7
282.17926	1.5
317.24692	1.4
335.25778	46.3
336.26199	1.4
541.38867	100.0
542.39056	4.2
559.40259	1.8
768.37146	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.5
53.03936	3.5
55.01869	5.5
55.05508	16.6
57.03434	12.6
59.05006	2.4
65.03911	1.3
67.05505	19.5
69.03428	5.3
69.07058	5.0
71.04992	2.4
71.59789	2.1
76.26105	1.3
79.05489	16.0
81.03413	72.1
81.07056	23.8
83.04972	6.6
83.08617	21.8
83.66511	1.4
85.02911	3.9
85.06535	2.0
91.05475	25.3
93.07043	20.6
95.04967	24.1
95.08614	8.4
97.02898	6.1
97.06506	3.8
97.10168	7.0
99.00805	8.8
99.04456	1.4
105.07024	22.2
106.95441	1.2
107.04963	11.1
107.08585	9.1
107.71462	1.2
109.02875	8.5
109.06506	7.4
109.10159	5.3
111.04456	2.9
111.08068	8.6
115.03956	2.9
117.07024	4.8
119.04971	1.9
119.08582	15.9
121.06527	10.0
121.10131	7.0
123.04440	2.9
123.08044	2.8
123.11721	1.4
125.09618	6.2
127.03911	3.4
128.06201	1.7
129.06998	8.1
131.08562	8.7
133.06511	3.6
133.10110	25.8
135.08032	4.0
135.11700	1.7
137.05968	2.2
137.09706	1.7
139.07556	1.8
142.07787	3.2
142.53072	1.2
143.08571	4.8
145.06462	3.3
145.10136	3.2
147.08038	3.8
147.11708	7.1
149.09630	5.5
151.11201	6.6
153.09081	1.4
155.08514	1.4
157.10118	9.7
161.09618	13.5
163.11183	3.4
165.12704	1.7
171.07999	3.5
175.11209	9.0
179.10699	6.0
189.09145	7.5
189.11194	5.5
189.12727	1.9
193.12230	20.9
197.11755	1.9
207.10205	3.5
211.13336	6.5
219.13783	6.4
223.13287	1.7
225.11194	11.2
227.12769	4.3
243.12254	1.3
249.14847	1.8
259.13309	1.5
263.12643	1.8
267.15900	100.0
268.16129	1.5
273.94638	1.1
281.13855	5.3
283.15393	2.6
285.16953	5.6
299.14886	60.1
367.22769	4.1
381.20709	2.0
385.23605	4.9
399.21725	2.3
403.24738	1.6
433.25897	1.8
441.26129	2.6
445.25885	11.1
455.24390	1.5
459.27347	18.6
463.27036	3.9
473.19220	2.2
473.25305	23.6
477.28561	16.8
491.26343	89.5
492.26599	4.4
509.27408	4.6
532.33917	1.4
533.27563	2.1
634.54395	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85317	1.9
53.03940	9.2
55.01863	14.2
55.05257	3.2
55.05509	45.5
56.96571	2.8
57.03434	14.8
57.07078	2.6
59.04988	3.0
61.02925	29.9
65.03933	3.4
67.05502	93.5
69.03422	27.0
69.07067	28.6
69.34363	17.2
69.34771	2.9
71.01344	2.3
71.04990	19.0
73.02921	12.9
79.05057	3.3
79.05494	66.7
81.03410	32.1
81.07056	84.9
83.04980	19.3
83.08616	23.4
85.02906	30.8
85.06542	9.0
85.54834	1.8
86.81375	2.1
91.03955	9.7
91.05476	69.6
93.06458	4.4
93.07042	68.1
95.01362	2.1
95.04966	22.8
95.08598	54.1
95.25053	2.2
97.02890	30.1
97.06522	11.7
97.10172	17.7
99.04436	4.2
99.08069	3.7
101.02374	2.7
105.04424	2.0
105.07025	57.5
106.07320	2.7
107.04949	15.0
107.08587	42.5
109.02869	8.0
109.06516	10.6
109.10149	30.3
111.04433	5.4
111.08071	6.1
113.06012	2.6
115.05499	4.3
116.06213	2.2
117.07011	29.1
119.07784	3.9
119.08578	43.9
119.61147	2.3
121.06518	9.5
121.10136	27.9
123.04416	2.5
123.08069	6.3
123.11704	8.5
125.09633	15.6
127.03901	9.6
128.06236	6.2
129.07002	19.8
131.04939	2.5
131.08559	48.4
133.06477	5.0
133.09209	3.7
133.10121	31.2
135.08070	10.1
135.11664	15.7
137.09610	6.6
139.11195	2.4
141.07005	9.5
142.07784	7.9
143.08575	26.0
144.09317	2.4
145.04948	3.1
145.06454	6.2
145.10114	35.9
147.08038	10.0
147.11684	17.0
149.02327	2.3
149.09602	11.8
149.13252	7.7
151.11169	7.3
153.06970	3.4
155.08540	13.8
156.09351	4.3
157.10123	30.0
159.08032	5.1
159.11679	26.6
161.09618	9.4
161.13268	10.8
163.11160	9.9
163.14842	2.5
165.12744	2.8
167.08572	5.9
169.10120	18.1
171.08029	4.4
171.11662	22.3
173.04448	4.8
173.09616	8.4
173.11855	4.6
173.13260	13.8
175.11179	9.8
175.14877	4.1
177.12701	4.4
181.10104	10.7
183.11711	14.3
185.09612	4.2
185.13232	15.1
187.11220	6.3
187.13226	3.2
187.14737	4.1
189.11206	8.1
189.12759	4.2
193.10144	2.4
193.12218	8.4
195.11690	14.8
195.13333	2.0
197.13264	12.4
199.11224	4.1
199.14790	6.7
201.12801	2.8
201.16435	2.4
203.14195	3.6
205.10141	2.3
207.11775	3.7
207.13605	2.8
209.13235	9.9
211.11267	3.7
211.13261	7.8
211.14960	4.2
213.12755	3.0
215.17819	2.4
218.13197	2.3
219.11656	3.4
221.13292	6.1
223.14948	5.4
225.16446	3.2
227.12791	16.4
229.14229	3.1
233.15382	3.2
235.17017	2.3
243.09050	5.7
245.18895	2.8
251.11301	3.2
259.20474	2.7
267.09045	2.1
267.15939	8.7
269.10440	3.9
269.17352	4.0
271.17245	2.7
271.20554	4.4
273.18604	13.3
275.20163	12.2
283.20596	5.9
285.10065	3.8
285.17545	2.9
285.22043	4.4
287.11789	3.7
291.19608	13.5
293.21344	2.9
297.22095	5.0
299.20380	4.4
299.23700	11.4
301.21246	4.7
303.20071	2.6
311.19943	2.1
321.21945	3.5
332.56863	2.1
337.21411	2.5
339.22983	2.5
341.24710	2.8
347.22314	4.1
349.23666	3.2
351.23178	5.0
353.24847	2.8
357.24200	4.4
359.25763	2.8
361.23187	3.0
365.23334	6.9
415.29626	4.7
421.25793	3.3
431.22406	2.8
433.31018	20.5
443.27908	8.1
451.32117	17.5
461.28766	3.6
469.33035	7.7
477.28046	2.5
483.34842	5.4
489.33572	2.9
499.34073	4.4
507.34952	10.9
517.35046	21.1
525.35754	88.8
539.37238	2.9
543.36804	100.0
544.37189	3.2
557.38812	21.3
575.39740	34.6
679.40472	3.3
687.40961	4.8
703.31989	2.3
705.41718	4.7
719.40747	6.1
737.42676	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	737.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.6
53.96455	1.2
55.01875	14.8
55.05510	26.7
57.03434	13.5
57.07069	2.0
57.13601	1.4
61.02910	3.3
65.03938	5.4
67.05503	77.5
69.03071	1.8
69.03429	20.5
69.07071	24.7
69.27821	8.1
69.28260	8.0
71.01353	3.0
71.04990	29.6
73.02917	3.0
79.05491	55.2
81.03063	0.9
81.03417	42.5
81.07056	100.0
82.07388	1.7
83.04974	17.1
83.08614	15.1
85.02898	9.9
85.06554	8.9
91.03953	2.2
91.05477	61.9
92.05820	2.4
93.07044	53.4
94.07310	1.6
95.01328	2.0
95.04960	22.1
95.08603	36.8
97.02879	17.1
97.06535	17.3
97.10163	7.3
99.04476	5.6
99.08096	4.9
103.03949	1.7
103.05431	2.0
105.07035	46.9
107.04964	16.4
107.07864	2.6
107.08589	37.3
109.02879	10.4
109.06516	14.9
109.10152	20.5
111.04469	6.0
111.08076	6.9
115.05429	3.9
117.07011	20.8
119.04930	2.1
119.08576	32.3
121.06518	5.7
121.10134	21.6
123.04446	3.7
123.08060	7.0
123.11697	14.0
125.09641	6.9
127.03905	9.4
128.06209	3.1
129.05487	4.7
129.07004	11.5
129.65224	1.7
131.04938	3.1
131.08565	24.9
133.06531	4.9
133.10130	31.2
135.08090	10.6
135.11705	13.2
137.09608	5.7
141.07001	3.8
142.07805	2.1
143.08571	8.3
145.06487	4.1
145.10103	17.2
147.08099	8.0
147.11696	25.1
149.09602	15.2
149.13260	10.5
151.07558	1.7
151.11185	9.8
153.09088	1.7
153.12717	2.0
155.08589	4.9
157.10153	9.9
159.08063	3.6
159.11688	15.3
161.09633	5.1
161.13271	6.8
163.11150	8.3
165.09161	1.9
165.12755	5.4
167.08618	2.4
169.10162	6.0
169.12340	2.0
171.10303	2.1
171.11635	7.6
173.03046	2.1
173.04468	12.8
173.09641	4.7
173.11794	2.7
173.13268	4.7
175.11197	5.4
175.14766	1.8
177.12767	6.3
179.14352	3.2
181.10133	1.9
183.11711	3.7
183.13762	2.2
185.13203	3.7
187.11267	4.7
187.13339	4.8
187.14868	2.4
189.11206	3.4
189.12817	2.7
191.00609	1.8
193.12245	3.8
195.11829	2.4
195.13849	4.5
197.13341	2.7
199.11098	1.8
201.14806	2.3
217.15884	1.7
225.12773	1.8
225.14897	1.9
227.12836	5.3
229.14415	3.5
239.17909	3.0
243.15912	3.7
247.20583	3.5
257.19034	5.6
261.14749	1.9
267.15854	11.4
269.17517	6.8
273.18585	8.1
275.20047	42.8
277.21283	1.6
283.18591	1.5
285.16895	6.9
291.19565	8.2
293.21036	5.7
299.18936	1.6
301.19919	2.4
313.21661	1.9
315.19254	1.6
331.22736	2.8
347.22293	2.3
349.23782	16.5
365.23154	2.4
381.22656	2.1
383.22046	2.5
385.30603	1.6
395.20480	1.9
413.21591	4.9
423.27521	3.4
447.33304	1.6
463.30453	1.9
469.33627	2.0
499.33990	2.7
515.36255	2.0
517.35394	23.4
519.37000	2.5
525.35992	4.7
531.36591	2.7
539.33655	3.2
541.35797	1.8
543.36737	25.4
549.37329	2.2
557.35718	5.1
575.38275	7.9
627.38794	1.8
687.40430	4.9
705.41559	5.8
719.41235	6.7
737.42462	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	737.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.5
55.01868	29.3
55.05264	2.2
55.05509	34.1
57.03438	11.0
57.07064	4.4
59.05001	9.9
65.03931	4.0
67.05501	100.0
69.03425	16.3
69.07066	33.8
70.15591	1.8
71.04990	23.5
71.59411	3.2
71.66381	2.1
72.08142	2.7
79.05490	61.2
81.02975	2.9
81.03418	36.9
81.07054	97.5
83.04987	15.8
83.08624	14.3
85.02895	6.4
85.06534	6.7
87.04451	3.4
91.05478	64.8
93.07040	55.8
94.07350	2.9
95.01318	8.5
95.04967	15.3
95.08600	35.5
96.08941	2.0
97.02890	11.2
97.06530	52.5
97.10172	5.9
99.04448	8.3
99.08086	2.9
103.05488	2.8
105.07026	78.4
106.07335	3.5
107.04959	16.9
107.08587	28.7
109.02863	6.2
109.06502	9.2
109.10144	32.8
111.04429	2.2
111.08092	5.0
117.06994	21.4
118.23329	1.8
119.08575	43.7
120.08881	3.3
121.06473	4.3
121.10135	16.9
121.32292	1.9
123.04404	2.1
123.08083	5.5
123.11697	8.9
125.09640	4.8
127.03909	7.1
129.05479	3.8
129.06999	6.7
131.08575	30.2
131.10876	2.1
133.09131	2.5
133.10126	44.4
135.08018	4.6
135.11694	13.0
137.09618	5.5
143.08525	7.7
145.10136	17.6
147.08031	2.7
147.11697	19.3
149.09593	9.3
149.13257	5.9
151.11128	6.1
155.08531	3.2
157.10075	6.6
159.11679	16.2
161.09555	4.3
161.13252	8.7
163.11217	3.4
163.28221	2.1
165.09175	2.1
165.12688	2.2
169.10078	3.2
171.11658	7.9
173.04512	13.1
173.09540	2.2
173.11710	6.8
173.13264	7.4
175.11134	3.1
177.12701	6.0
179.14331	11.5
183.11662	3.0
185.13268	4.2
187.11182	3.5
187.13229	4.6
187.14790	2.7
195.13771	4.1
197.13177	3.9
199.11246	2.0
199.13309	2.7
201.12936	2.0
201.14902	2.6
207.13936	2.8
225.14864	3.3
229.14290	5.7
241.19525	3.5
247.20549	4.0
251.16519	2.8
257.19019	6.4
259.20480	3.8
269.17606	3.3
275.20041	90.3
276.20401	2.6
281.17584	6.0
282.17734	2.9
293.21136	5.3
301.19724	2.0
333.24411	3.1
335.25760	4.1
349.23734	25.6
395.20914	2.4
413.21872	5.0
445.24283	17.7
489.35629	13.3
517.35309	38.6
531.36536	6.6
540.37305	6.6
543.36829	50.3
544.36511	3.0
575.38843	5.0
603.97272	2.2
687.40240	8.8
719.43713	21.9
737.44611	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	737.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50251	2.6
53.03935	10.8
53.91721	2.5
55.01868	16.9
55.05259	4.0
55.05509	55.9
57.03442	18.8
57.07046	3.9
59.04983	3.0
61.02902	7.6
65.03928	5.5
67.05501	89.8
67.30055	2.5
68.05850	3.1
69.03426	29.8
69.07067	28.2
71.04984	15.1
72.08152	4.1
73.02897	6.5
77.03921	4.5
79.05488	86.5
79.22069	2.5
81.03416	84.3
81.07053	100.0
83.04980	30.1
83.08614	39.1
85.02905	27.7
85.06532	8.8
91.03915	3.6
91.05477	81.0
93.07036	69.4
95.04962	44.1
95.08601	42.9
97.02885	34.7
97.06522	21.2
97.10161	28.8
99.04443	6.6
99.08100	4.4
105.07025	54.2
106.07385	2.7
107.04948	27.1
107.08587	39.7
109.02892	16.7
109.06531	16.9
109.10164	23.7
111.03762	2.7
111.04452	17.4
111.08071	13.5
115.05458	3.2
117.07022	25.9
119.04980	4.4
119.08581	48.9
121.06468	11.2
121.10143	27.3
123.04459	4.9
123.08066	14.8
123.11678	8.2
125.09628	22.8
127.03936	14.2
128.06145	4.6
129.05452	7.7
129.07001	20.3
131.08566	28.5
133.06476	8.0
133.10114	27.6
135.08018	14.6
135.11650	14.4
137.05981	4.4
137.09618	8.9
139.03951	3.1
141.06963	6.0
142.07751	4.3
143.08549	11.4
145.06465	5.0
145.10114	30.3
147.08022	16.4
147.11714	21.2
149.09592	16.0
149.13223	6.5
151.11177	5.9
153.09053	5.4
153.12735	4.6
155.08531	4.6
157.06570	3.6
157.10124	20.6
159.08061	5.9
159.11676	9.1
161.09618	9.0
161.13228	3.5
163.11201	16.3
165.05556	2.8
165.09013	3.9
165.12697	6.7
169.10065	5.2
171.11662	11.6
173.04436	7.5
173.09610	6.9
173.13278	3.6
175.11166	12.6
177.12727	4.9
183.11620	3.4
185.09529	3.6
185.13272	4.1
187.11195	4.3
187.14801	3.6
189.11229	15.6
189.12726	3.4
193.12256	35.9
201.12849	2.8
203.14413	3.8
209.11702	5.0
211.13246	31.4
223.13293	9.9
225.11154	3.7
227.12746	24.1
227.18031	4.1
229.14331	3.2
243.15880	2.9
249.14746	5.3
255.17535	4.4
267.15881	18.9
269.17444	5.9
273.18506	32.0
275.19995	24.9
283.15396	9.2
285.16843	13.7
291.19519	71.5
313.21860	2.8
331.22412	3.8
347.22238	7.4
349.23801	13.1
354.60428	2.7
365.23257	28.5
406.62930	2.6
411.19781	5.2
429.21161	5.9
453.24979	3.4
465.29462	3.4
477.28409	5.5
490.61288	2.8
517.35315	3.5
525.35205	4.3
528.37537	8.6
529.35028	3.3
539.33362	9.1
543.36566	9.5
553.44727	3.0
557.34741	36.4
575.35516	28.8
639.33459	3.9
719.40088	25.8
737.41833	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	10.2
55.01862	21.7
55.05508	32.7
57.03436	27.8
57.07069	4.5
60.79236	2.5
61.02918	3.2
65.03926	6.8
67.05502	94.7
69.03431	25.9
69.07066	22.4
71.05006	15.6
71.59854	3.5
73.02898	3.5
79.05054	5.3
79.05488	70.6
81.03414	74.3
81.07052	84.6
83.04988	24.8
83.08619	25.2
85.02899	20.1
85.06528	12.6
91.04007	3.0
91.05474	71.6
92.05819	3.3
93.07048	61.4
95.04962	76.4
95.08603	41.9
97.02899	17.6
97.06543	15.6
97.10156	7.7
99.04474	4.5
99.08063	4.1
103.05435	3.8
105.07024	55.7
107.04945	20.1
107.08578	37.2
109.02851	11.6
109.06517	65.9
109.10162	23.9
111.04443	13.4
111.08070	8.8
113.06009	35.1
115.05482	3.8
117.06989	20.0
119.08570	43.4
121.06494	11.7
121.10145	23.3
123.04399	3.0
123.08058	8.9
123.11742	5.0
125.09636	7.3
127.03894	18.9
128.06226	5.2
129.05460	7.7
129.06966	14.7
131.08557	33.1
132.76364	2.4
133.06470	9.5
133.10129	26.5
135.08047	47.3
135.11678	11.9
137.06013	3.2
137.09637	6.5
139.11131	3.4
141.06955	3.3
142.07784	3.2
143.08575	14.2
145.06462	6.5
145.10107	26.6
147.08067	13.1
147.11691	17.9
149.09641	20.3
149.13283	5.6
151.11189	4.3
153.12714	4.6
155.08516	7.9
157.10124	21.0
159.08051	5.9
159.11693	11.6
161.09567	17.1
161.13225	5.2
163.11185	14.0
165.09218	3.2
165.12775	7.0
169.10088	5.2
171.11681	8.9
173.04466	9.8
173.09651	5.4
173.13271	4.3
175.11194	12.6
177.12790	4.7
179.14383	3.4
181.12231	5.0
183.11636	6.7
185.13264	3.6
187.11311	3.3
187.13187	3.4
189.11206	3.5
191.10751	4.7
193.12231	27.5
195.11688	5.2
195.13860	4.2
201.12735	3.7
209.11725	7.7
211.13297	30.1
217.15933	14.4
227.12833	10.4
229.14383	8.1
241.14337	3.2
245.18903	3.8
257.18994	5.4
267.15955	24.5
269.17413	3.3
273.18509	40.0
275.20059	29.1
283.15280	5.7
285.16809	12.1
291.19534	100.0
301.16733	3.8
339.17984	3.5
347.22421	14.4
347.26062	2.7
349.23840	13.4
355.17386	3.6
365.23267	16.9
383.22806	2.7
411.20035	2.8
429.21191	16.4
437.30515	3.5
517.35327	4.8
533.09802	3.4
539.33521	10.4
543.36859	6.4
557.34729	36.3
575.35742	21.8
630.33942	3.1
637.12726	3.4
701.38751	9.4
719.39777	28.1
737.37054	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	737.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
54.01083	0.5
55.01876	1.1
55.05507	0.8
57.03433	6.8
61.02925	0.7
65.03934	0.9
68.99789	3.2
69.03418	4.7
71.01322	0.7
71.03481	1.1
71.04989	50.3
73.02909	1.0
75.04478	1.4
79.05499	0.5
81.03432	1.8
83.04983	2.6
85.02901	48.0
87.04485	1.0
91.05463	0.8
93.03401	0.6
95.04970	1.3
105.03373	0.9
105.15131	0.6
107.04958	2.0
109.02885	2.3
111.00806	1.7
111.04438	4.3
121.02873	1.3
123.04423	15.3
127.03913	11.4
129.05472	10.8
131.04929	1.1
134.64171	0.6
135.04411	17.9
137.02342	11.5
137.03387	1.3
137.05972	1.5
139.03905	8.4
145.02888	0.8
145.06476	0.6
147.04420	2.5
147.06491	1.6
148.93509	0.5
149.02333	1.6
151.03900	6.0
153.01845	2.9
153.06993	0.7
155.04817	0.6
157.06436	0.6
159.04439	1.3
161.05949	1.7
163.03897	20.8
165.01888	1.9
167.03423	1.8
169.05000	1.4
173.05981	1.8
175.03874	2.7
177.05453	1.8
179.03416	0.8
183.04456	1.3
185.06038	0.8
187.03911	2.1
189.05495	0.8
191.03430	0.8
191.07010	0.8
193.04942	2.9
195.02861	0.6
197.05991	1.1
199.03943	0.9
201.05481	4.2
203.03476	1.9
203.07076	0.7
205.01456	0.6
205.04990	0.7
211.03973	0.6
213.05392	0.9
215.03398	6.1
215.07040	1.0
217.01376	0.6
217.04953	1.5
219.06541	1.6
225.05457	1.0
227.03384	5.3
229.01364	1.0
229.04932	8.0
231.06487	0.6
237.07521	1.3
241.05118	0.6
243.02847	0.6
243.06537	1.8
245.04376	3.7
247.06006	19.2
253.05025	0.9
257.04471	5.7
259.06036	1.4
261.07608	1.4
271.02432	9.1
271.06012	6.6
271.35489	0.5
273.07608	0.8
274.04614	0.6
278.23758	0.7
281.04245	0.6
283.02356	0.8
283.06027	1.0
285.03925	34.0
286.04468	0.9
287.05518	1.0
289.03485	25.1
289.07068	8.4
295.05981	1.1
297.03903	1.2
299.05557	1.7
301.03534	1.6
301.06909	1.0
302.04245	1.2
303.04990	39.3
304.05270	0.8
309.03952	0.8
313.03641	1.2
313.06909	4.7
315.04968	10.9
316.05759	1.3
325.03540	0.7
325.07147	0.9
327.05069	1.4
329.06592	1.1
331.08212	1.3
337.07120	1.2
339.04901	1.0
339.08798	0.7
343.04507	1.5
345.06061	17.4
353.06476	1.8
355.04507	2.4
355.08035	1.2
357.09662	3.2
363.04645	0.7
375.10852	3.8
377.06506	0.9
381.09729	1.9
395.07980	0.9
399.10959	1.4
405.06226	0.7
417.11972	1.3
421.05368	3.2
423.07126	10.7
433.05695	0.9
435.07547	1.2
435.12875	1.3
437.08508	1.4
439.06583	6.8
447.07147	1.6
451.06686	3.9
463.06210	3.0
465.08325	1.4
505.07596	1.2
531.09216	1.7
549.10492	1.5
567.11255	3.0
573.10583	4.4
591.11298	100.0
592.11505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07570	1.7
55.05497	8.0
56.62428	1.8
57.03435	4.7
57.07068	25.6
62.48636	1.6
65.03925	2.4
67.05496	39.9
69.07062	8.9
70.80150	2.2
70.80499	4.9
71.04987	18.1
71.08630	21.9
79.05482	8.3
81.07046	64.1
83.04960	2.0
83.08593	10.9
85.06527	5.3
85.10157	10.6
91.05461	12.3
93.07034	6.4
95.04990	2.3
95.08608	21.2
97.06521	3.1
97.10181	5.1
101.82063	1.6
105.07021	5.3
107.08592	5.8
109.10144	9.5
117.07052	2.3
121.10125	3.9
123.11697	13.8
133.10083	11.7
135.11627	2.2
138.49109	1.6
151.11099	4.9
159.11717	3.2
183.13850	3.5
187.13309	5.9
188.46242	2.1
223.17038	2.0
239.23657	1.9
269.17450	4.9
301.20001	18.2
313.27283	19.2
376.90530	1.9
457.25479	2.1
481.38803	89.1
495.40704	4.1
507.40305	7.2
520.55334	1.9
529.24695	2.0
531.48798	2.0
539.42993	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	735.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.1
53.96529	1.7
55.01869	12.1
55.05508	31.9
55.69450	1.8
57.03442	12.9
57.07051	2.2
61.02914	5.4
65.03944	4.8
67.05501	87.7
69.03421	18.6
69.06765	2.2
69.07069	23.1
69.38243	14.3
69.38651	4.6
71.04983	8.6
73.02905	3.7
78.54819	2.0
79.05487	92.3
79.23134	1.6
81.03413	36.2
81.07050	100.0
83.04974	18.3
83.08612	13.6
85.02898	13.9
85.06541	5.0
91.04897	3.3
91.05472	81.7
93.07037	89.2
95.04958	32.1
95.08595	49.0
97.02877	10.7
97.06531	14.9
97.10162	7.5
99.04433	2.8
99.08102	1.7
101.02365	3.2
105.04484	2.8
105.07023	72.6
107.04962	15.1
107.08589	40.7
109.02885	7.2
109.06499	14.7
109.10158	22.4
111.04430	3.4
111.08096	3.9
115.05449	2.9
117.07005	27.1
119.08576	49.9
121.06476	8.3
121.10146	15.8
123.04408	2.0
123.08046	8.0
123.11694	7.1
125.09612	2.8
127.03911	4.7
128.06172	2.9
129.05470	3.1
129.06985	20.6
131.08554	23.3
133.06468	3.2
133.10124	31.5
135.08066	9.0
135.11674	7.9
137.09625	5.5
141.06993	4.0
143.08546	15.0
145.06441	4.3
145.10123	25.9
146.67657	1.9
147.08043	4.7
147.11690	36.6
149.09650	6.8
149.13254	7.1
151.11142	6.7
155.08559	5.5
156.09332	2.5
157.10120	6.8
159.11691	15.2
161.09613	7.2
161.13220	13.6
163.11211	3.2
163.14725	1.8
164.14761	1.9
169.10104	4.7
171.11655	25.7
173.04498	11.0
173.09601	2.1
173.13252	7.8
175.11179	3.1
177.12723	4.9
179.14296	2.1
181.10115	3.6
183.11627	3.6
187.11134	2.5
189.12772	9.1
195.13824	3.2
197.13289	2.1
198.20496	1.8
203.14243	2.3
207.13754	23.0
213.16530	2.1
219.13840	2.0
222.26633	1.9
227.12775	4.9
229.19473	2.3
235.74907	1.8
239.18034	3.5
247.20421	2.9
253.14348	6.7
257.18906	9.2
267.15869	3.5
269.17477	3.2
273.18436	2.4
275.20068	44.3
281.17444	56.6
287.16376	2.4
291.19577	5.3
293.21078	3.3
331.22501	2.5
349.17352	2.6
349.23709	20.9
351.18616	2.4
367.24792	2.1
377.23517	2.3
413.21674	3.6
427.61609	2.0
451.27127	1.8
475.24066	3.0
475.30542	56.6
477.28772	2.4
537.35620	4.3
555.36731	40.9
556.37024	2.7
573.37860	17.8
619.35120	11.5
717.41522	2.0
735.41400	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	735.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	11.3
55.01870	15.5
55.05511	33.7
57.03434	14.1
59.04964	1.9
61.02921	6.3
65.03941	4.2
67.05502	74.3
67.84891	2.1
69.03425	13.5
69.07064	28.2
69.52528	13.1
71.04984	7.5
79.05491	100.0
81.03416	26.9
81.07054	83.5
83.04977	19.2
83.08616	11.7
85.02911	10.8
85.06533	3.0
91.03964	2.3
91.05477	83.3
93.07041	91.7
93.43336	1.7
95.04965	30.3
95.08598	40.8
97.02852	10.0
97.06525	24.6
97.10180	11.4
97.63698	2.0
99.04456	4.2
103.05437	2.9
105.04545	2.5
105.07026	73.4
107.04950	24.3
107.08598	35.1
107.14750	1.8
109.02905	4.2
109.06499	14.9
109.10145	15.5
111.04420	2.1
111.08054	5.7
115.05413	4.2
116.83504	2.0
117.07018	22.5
119.07786	3.7
119.08579	49.6
121.06496	4.0
121.10146	13.9
123.08038	9.5
123.11723	5.4
123.54256	1.9
125.06061	3.1
125.09616	7.5
127.03892	5.6
128.06192	4.1
129.05518	2.9
129.07001	19.8
131.04958	1.9
131.08572	20.5
133.06488	2.5
133.10115	31.8
135.08047	7.3
135.11705	11.1
137.09612	4.6
141.07028	4.0
143.08546	17.9
145.06462	3.0
145.10098	24.3
147.08115	3.3
147.11682	38.9
149.09610	17.2
149.13206	3.7
151.11163	4.9
155.08546	3.8
157.10147	6.3
159.08067	3.8
159.11697	15.1
161.09656	5.7
161.13235	14.6
162.85126	1.9
163.11189	8.3
165.12773	2.1
169.10146	2.9
171.11674	26.3
173.04454	7.0
173.09634	3.2
173.11880	2.3
173.13290	6.8
177.12801	3.0
179.14294	4.2
181.10126	3.4
181.84534	2.2
183.11685	3.9
185.13327	2.8
187.11252	2.9
189.11249	3.9
189.12775	11.8
197.13284	4.0
199.14899	3.7
203.14276	1.9
207.13803	27.8
218.68330	1.8
223.13084	2.3
225.14735	2.7
227.12727	19.1
239.17932	3.1
247.20663	2.2
253.45464	1.9
257.18979	14.4
267.15872	2.2
269.15253	2.9
275.20041	63.3
276.20410	2.3
281.17465	71.1
287.16486	2.6
291.19409	3.5
293.21130	4.8
328.81067	2.0
349.23758	36.2
367.24643	2.9
377.23260	3.8
413.21634	3.2
425.21729	2.1
434.87848	1.9
435.27356	3.0
445.30469	1.9
451.26831	3.7
459.30890	6.1
461.22412	2.1
463.32187	2.5
475.30667	27.8
476.31027	2.3
527.36963	2.1
537.35553	4.0
555.36786	53.4
556.37207	3.4
573.37860	18.2
619.34717	4.5
717.41077	3.1
735.41815	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	733.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	3.6
52.40852	2.7
53.03936	12.3
55.01875	13.5
55.05510	30.9
57.03433	14.4
65.03929	4.7
67.05501	92.1
69.03136	2.8
69.03430	27.2
69.07066	21.3
69.42577	11.2
69.43008	14.6
71.04979	11.0
72.08154	22.1
72.28993	3.0
73.02897	5.8
77.62960	2.2
78.36575	2.7
79.05059	5.2
79.05492	87.0
81.03419	57.1
81.07057	94.6
83.04983	28.3
83.08607	17.3
85.02907	15.6
85.06530	4.5
91.05478	100.0
91.11034	2.8
93.07042	79.7
94.54176	2.8
95.04967	32.7
95.08604	47.9
97.02888	13.9
97.06524	10.6
97.10159	4.1
99.04432	7.6
103.05427	3.3
105.06378	5.0
105.07027	71.6
107.04975	21.6
107.08578	43.7
109.02862	11.4
109.06535	14.0
109.10147	39.2
111.04430	5.7
111.08051	7.0
115.05440	3.8
117.07002	28.4
119.08582	30.1
121.06490	15.8
121.10117	15.8
123.04391	4.3
123.08054	11.5
123.11698	8.1
125.09632	3.8
127.03888	11.3
128.06216	5.3
129.07005	21.9
131.04939	3.1
131.08594	25.1
133.06479	8.9
133.10123	55.0
135.08015	15.1
135.11674	10.7
137.09567	4.8
141.06995	6.9
143.08549	19.0
145.04834	3.0
145.06453	7.8
145.10126	17.3
145.40041	3.0
147.08028	9.4
147.11682	26.7
149.09610	11.3
149.13220	4.3
151.11209	22.0
155.08537	5.4
157.10118	7.7
159.08067	8.1
159.11696	8.5
161.09630	11.4
161.13246	13.8
163.11165	5.3
169.10138	7.3
169.12256	6.5
170.05772	4.8
171.08136	3.9
171.11671	20.5
173.04486	16.0
173.09656	5.0
173.13171	4.9
175.11154	6.3
177.09076	5.3
179.10582	4.0
183.11723	3.6
185.09590	3.5
185.13210	5.6
187.11148	3.7
189.12709	8.8
207.13847	15.7
213.12498	3.2
215.12860	4.5
227.17903	3.5
241.15773	4.3
245.18941	6.9
253.14339	40.7
255.17583	4.8
263.20038	4.6
269.15347	5.1
273.18500	26.1
281.17395	17.5
287.16571	7.6
291.19510	19.7
305.17517	3.6
347.22018	9.6
365.23264	14.7
425.21252	6.8
477.28430	6.6
537.54016	3.1
553.35028	12.7
563.38739	4.8
564.39819	19.8
571.36047	33.4
715.41089	6.2
733.40961	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	733.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
53.32013	0.4
55.01859	0.6
55.05511	2.5
57.03422	1.2
61.02916	4.3
61.88148	0.4
62.11453	0.4
67.05496	5.1
69.03425	3.2
69.07062	1.5
71.01366	0.6
71.04990	0.7
72.08152	0.8
73.02910	2.8
79.05486	5.1
81.03409	2.5
81.07054	4.7
83.04973	1.1
83.08603	0.8
85.02898	4.2
88.52747	0.5
91.03956	2.1
91.05473	4.4
93.07038	5.7
95.04970	1.5
95.08600	2.6
97.02876	3.6
97.06528	1.5
98.39477	0.4
101.02386	2.1
105.07031	3.6
107.08579	3.2
109.02901	0.9
109.06525	0.5
109.10159	1.1
112.79169	0.5
117.07037	1.3
119.08573	2.6
121.06515	0.4
121.10150	1.3
123.11677	0.6
125.59416	0.4
127.02383	0.5
127.03906	1.8
129.07024	0.9
131.08601	1.6
133.10165	2.0
135.11684	3.4
145.10121	1.2
147.11743	1.3
157.10161	0.8
161.13260	0.8
163.11069	0.5
163.17317	0.5
171.11790	0.7
185.04263	1.0
221.11548	1.2
229.33430	0.5
243.08351	2.5
251.36478	0.5
272.03030	0.5
277.14001	0.7
291.19693	0.5
301.09055	1.4
317.20319	0.5
319.15225	0.5
373.11215	0.7
429.17529	0.6
432.68970	0.5
439.19418	10.9
465.20892	0.8
511.21652	1.3
535.28479	5.1
663.33191	0.6
733.41272	100.0
734.41418	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	732.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01854	0.9
55.05507	5.9
56.05032	0.8
57.03427	1.1
57.05814	0.6
57.07069	1.8
59.05351	0.5
61.02896	0.7
65.03941	1.4
67.05501	36.4
69.07068	6.8
69.38782	4.8
70.06598	2.5
71.04591	0.8
71.04990	19.3
72.08150	70.5
79.05489	12.4
81.07053	43.4
83.04982	2.1
83.08604	4.3
85.06548	2.8
90.09193	0.8
91.05479	18.0
93.07033	13.2
95.04959	2.2
95.08599	17.2
97.06529	3.1
97.10160	1.5
99.08109	0.9
101.51847	0.5
105.07020	8.8
105.07684	0.8
107.08586	8.0
109.06517	1.0
109.10141	7.1
111.08070	1.1
117.07030	1.8
118.21380	0.5
119.08546	2.0
121.10145	4.4
121.52760	0.5
123.08069	0.7
123.11699	7.3
125.09605	0.9
131.08563	2.1
133.10115	10.4
135.11673	3.2
137.13243	1.0
147.11665	0.9
149.13277	2.7
151.11169	4.1
159.11710	2.6
161.13170	0.8
169.12181	0.6
170.05763	26.2
175.14832	0.7
177.12785	1.2
183.13797	4.5
187.13268	0.7
195.13808	1.5
198.08264	0.5
263.23776	1.6
269.17566	1.1
283.19055	0.8
285.16910	0.7
365.26865	0.6
463.46375	0.6
488.32944	0.6
519.33142	0.7
519.40472	10.1
531.40411	3.8
563.43030	100.0
564.43341	4.7
719.18536	0.5
732.43848	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	733.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.7
53.03938	8.8
55.01869	13.7
55.05508	20.2
56.96567	3.0
57.03439	26.7
57.49351	1.6
60.78916	1.6
61.02921	3.7
65.03939	6.4
67.05502	93.2
69.03428	13.8
69.07071	13.1
70.85821	4.0
71.04996	6.8
71.26099	1.3
72.08143	3.1
73.02930	1.7
74.09631	1.6
79.05489	59.8
81.03419	26.6
81.03863	3.3
81.07053	53.3
83.04967	11.3
83.08596	8.2
85.02894	9.7
85.06538	14.1
91.05474	58.4
93.07037	58.5
95.01330	2.2
95.04963	100.0
95.08598	29.5
97.02891	8.0
97.06512	8.2
97.10181	4.2
99.04478	3.8
99.08114	2.4
103.05489	3.5
105.07027	47.7
107.04945	22.2
107.08596	30.4
109.02858	5.6
109.06511	66.7
109.10145	7.9
111.08076	5.2
113.06001	31.9
115.05482	4.2
117.07014	23.2
119.08572	26.4
121.06480	12.3
121.10118	12.2
123.04434	4.7
123.08048	10.7
127.03902	5.1
128.06219	6.8
129.05533	2.1
129.07005	25.4
131.04955	3.3
131.08559	30.2
133.06493	7.9
133.10117	14.6
135.08047	43.3
135.11673	10.2
137.05957	2.7
141.06992	6.0
142.07727	2.1
143.08554	21.9
145.06480	10.5
145.10094	22.2
145.11145	2.4
147.08037	12.4
147.11682	16.0
149.09636	7.0
149.13252	5.3
153.07004	2.3
155.08563	5.7
157.06508	3.8
157.10127	10.9
159.08006	8.8
159.11653	8.8
161.09615	13.2
161.13268	7.1
163.11224	6.6
165.06956	1.7
167.08568	4.0
169.10132	5.2
171.08051	4.1
171.11726	15.0
173.04474	10.1
173.13292	4.3
175.07462	1.9
175.11185	3.9
177.12749	6.0
181.10132	3.8
183.11722	5.1
185.09616	4.9
185.13271	6.8
187.11194	4.8
187.14832	2.2
189.12756	5.8
193.10240	2.3
194.26646	1.7
195.11676	3.8
197.13293	2.1
199.11279	2.2
199.14835	3.3
201.12776	3.8
207.13770	10.6
209.13301	2.6
211.28212	1.9
217.15874	13.6
219.13924	1.8
227.18073	3.1
233.15425	2.6
237.16324	2.4
245.19070	4.0
255.17639	2.3
257.18967	3.0
259.16861	2.9
263.16495	2.3
269.10669	2.3
269.15387	5.4
273.18500	57.4
275.20132	3.1
279.15900	10.1
281.10651	4.1
281.17447	17.3
287.16403	7.0
291.19528	89.1
295.19037	2.2
299.11823	2.4
347.15384	3.8
347.22104	16.4
353.16074	3.2
361.20215	1.9
365.16367	4.4
365.23322	16.6
395.19220	10.4
407.20340	2.5
425.21680	10.6
553.35229	20.7
571.36304	26.5
697.39063	4.0
715.40295	9.2
733.41705	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	731.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
57.03424	2.3
61.02923	5.2
67.05502	5.2
69.03429	2.8
69.07055	1.8
69.35603	0.9
69.36007	3.0
71.04996	0.6
72.08152	0.5
73.02916	3.9
75.21513	0.4
79.05486	3.9
79.19587	0.4
81.03407	1.8
81.07052	6.7
83.04954	0.5
83.08607	0.5
85.02905	5.6
87.04465	0.7
91.03961	3.0
91.05497	2.5
93.07044	4.1
95.08595	3.5
97.02884	4.5
97.06522	0.6
98.21484	0.8
99.04481	0.9
101.02383	1.6
105.07052	1.3
107.08562	2.3
109.02882	1.0
109.10180	1.4
109.19370	0.3
111.08068	0.6
113.11615	0.4
117.07030	0.8
119.08601	0.6
121.10157	1.8
123.11754	0.5
127.03944	1.5
131.08556	0.8
133.10143	0.8
134.12976	0.4
135.11719	1.4
145.04889	0.5
149.13264	1.4
159.11665	0.5
185.04182	0.8
193.12305	0.5
235.13049	1.2
243.08517	1.4
335.26031	0.5
355.02164	0.4
419.45428	0.4
453.20886	4.6
519.29315	7.8
731.43359	100.0
732.43823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.6
56.05027	1.2
56.93700	0.6
57.03434	1.0
57.05783	0.8
57.07071	0.9
57.78109	0.6
61.02905	0.6
65.03929	0.8
67.05500	30.4
69.03410	0.9
69.07066	5.6
69.64600	0.5
69.66151	0.6
70.06577	2.4
71.04990	16.9
71.58196	0.6
71.75581	0.5
72.08150	73.9
78.59777	0.7
79.05483	11.2
81.07052	35.5
83.04986	3.3
83.08608	4.1
85.06527	1.6
91.05475	14.0
93.07035	11.8
95.04939	0.9
95.08602	16.5
97.06513	2.6
97.10177	1.0
98.20615	0.6
105.07017	7.4
107.08581	7.2
109.10130	4.8
111.08087	1.0
111.11689	0.7
117.07031	0.9
119.08588	1.9
121.10125	3.1
123.11713	6.5
131.08557	2.0
133.10117	8.8
135.11678	2.5
145.09981	0.6
146.86935	0.8
147.11670	1.7
149.13249	3.2
151.11185	3.0
159.11726	0.8
161.13289	1.1
163.14833	1.0
170.05762	26.0
174.16014	0.6
179.34480	0.6
183.13800	3.4
187.13229	0.9
195.13855	2.6
204.47823	0.6
219.80533	0.7
263.23715	1.2
281.17987	0.7
283.19089	1.6
285.17032	0.7
351.28952	0.7
363.28983	0.9
506.31763	0.8
514.48621	0.8
519.40430	9.0
531.40125	3.4
563.43024	100.0
564.43451	2.3
732.44495	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	731.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31766	0.6
55.01867	0.7
55.05499	1.6
57.03435	1.9
59.05001	0.8
61.02924	4.4
67.05495	4.7
67.64991	0.5
69.03428	2.7
69.07063	1.4
71.04988	3.4
73.02918	2.8
79.05490	4.5
81.03419	4.9
81.07049	4.7
83.05006	1.2
83.08590	0.9
85.02904	5.8
91.03961	1.9
91.05491	4.2
93.07043	3.2
95.04991	1.8
95.08620	1.7
96.42094	0.6
97.02866	3.3
97.06527	1.4
97.10133	0.7
99.04468	0.6
100.39190	0.6
101.02383	1.2
105.07039	3.3
107.04959	1.1
107.08596	2.5
109.02883	1.8
109.10139	3.1
111.04450	0.7
117.07057	0.6
119.08576	2.8
121.06539	0.7
121.10137	1.8
123.04420	2.1
123.08042	0.6
125.09710	0.6
127.03920	3.1
129.07022	1.4
131.04935	0.8
131.08574	1.1
133.10147	1.5
135.04424	1.0
135.11652	0.8
137.09619	1.4
147.04456	0.7
147.11714	1.7
149.09668	1.7
151.03937	0.7
157.10149	0.9
163.03909	1.1
193.12311	1.7
200.06998	0.6
219.92546	0.6
225.14900	0.8
229.05058	0.6
243.08488	2.2
253.14063	0.9
267.15848	1.2
283.15207	2.7
339.18024	0.8
439.19083	0.8
469.20758	0.9
471.21945	7.2
501.23001	8.8
569.31891	0.8
641.29663	1.9
713.35394	1.3
731.38098	100.0
732.38593	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	731.1609
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
51.02367	0.9
53.03216	0.4
53.03939	0.9
55.01865	1.0
55.58074	0.5
65.03935	0.9
67.01858	0.5
67.05502	1.2
68.99782	5.0
69.43103	3.5
70.06567	0.4
71.04993	0.8
77.03933	1.1
79.01834	0.6
79.05497	0.7
81.03413	2.6
83.04960	0.6
85.02887	1.8
89.03882	0.5
91.05482	0.7
93.03419	0.6
95.04954	2.4
97.02863	0.5
99.04430	1.0
103.05496	0.6
105.03381	1.7
107.04965	3.3
109.02874	3.2
111.00780	3.6
111.04409	3.1
115.05428	1.0
117.03317	0.4
117.06947	0.5
119.04941	0.9
121.02877	1.4
123.04427	100.0
124.04767	0.8
125.02393	0.5
127.03914	71.5
131.04927	1.8
134.81905	0.5
135.04414	25.8
137.02335	1.8
137.06007	1.0
139.03900	19.3
141.06953	0.7
143.03404	1.3
143.04860	0.6
147.04393	5.6
149.02342	2.6
149.05974	1.5
151.03888	10.1
153.01825	11.1
155.04918	0.9
157.06422	0.6
159.04463	2.6
161.05975	2.0
163.03905	28.7
165.05469	1.9
165.10118	0.4
167.03433	4.0
167.07072	0.5
169.06485	1.0
171.04491	0.6
173.02344	1.3
173.05962	2.6
174.37166	0.5
175.03911	1.7
175.07564	0.5
177.05453	2.4
179.03410	3.3
183.04387	0.7
185.05984	1.2
187.03877	4.9
187.07483	0.5
189.05476	2.2
191.03409	3.5
193.04964	2.4
197.06033	2.8
201.05447	6.5
203.03401	5.5
203.07045	1.2
205.04985	1.7
207.06447	0.7
213.05379	1.1
215.03401	1.3
215.07047	1.6
215.39761	0.4
217.05016	0.5
219.06512	0.5
221.68932	0.5
223.02266	0.7
225.05481	1.4
227.03551	1.0
229.04938	3.9
231.06516	1.3
233.04485	1.3
239.06857	0.4
241.05049	1.2
243.06586	3.3
245.04454	3.8
247.06029	12.4
253.05017	1.2
255.06503	1.3
257.04456	5.4
259.05966	2.8
261.07474	1.0
269.04416	4.8
271.06009	18.4
273.07504	4.0
275.05511	4.0
283.05966	2.6
285.07550	1.7
287.05484	14.5
289.03812	0.6
289.07043	13.2
291.08609	1.6
295.06030	2.1
299.05469	6.6
299.08594	0.7
301.07117	3.8
303.04935	0.6
311.05481	2.3
313.07074	3.8
315.08578	0.5
325.07166	0.6
391.08102	1.2
393.09607	1.6
409.09164	10.2
411.10709	0.7
421.09235	6.2
435.10718	2.0
439.10178	2.7
443.10205	0.7
543.12628	1.2
561.13574	0.8
563.11987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
54.19736	0.7
54.65351	0.6
55.01870	0.8
55.05512	7.2
55.98486	0.7
57.03424	0.9
57.05807	1.0
59.14091	0.9
65.03944	1.3
67.05501	27.4
69.03413	0.8
69.07073	5.1
70.06591	2.9
70.66447	0.6
70.85268	1.5
71.04990	18.7
72.08153	87.1
72.72968	0.7
73.80022	0.6
79.05492	21.8
81.07055	33.8
83.04965	3.3
83.08600	3.4
85.06542	2.8
85.92040	0.8
90.09196	1.0
91.05476	23.1
93.07042	23.7
95.04973	3.5
95.08601	13.1
97.06527	2.8
97.10180	1.1
99.08099	1.2
105.04485	0.7
105.07033	10.6
107.08589	12.3
109.06525	1.2
109.10159	5.7
111.08081	1.9
117.07024	2.7
119.08572	4.5
121.10129	8.6
123.11712	5.8
131.08574	5.5
133.10130	11.0
134.79100	0.7
135.11685	4.9
145.10152	1.4
147.11664	1.6
149.13277	4.2
151.11150	4.0
159.11670	4.4
161.13240	1.6
170.05762	26.5
173.13255	0.8
177.12819	1.1
183.13803	4.0
187.13313	1.3
195.13795	3.1
261.22174	1.1
269.17606	1.3
285.16891	0.9
335.25888	1.2
361.27335	1.3
363.25354	0.9
517.38904	10.4
529.38812	4.2
531.41003	0.7
532.64331	0.7
561.41486	100.0
562.41516	3.5
622.52228	0.8
730.43610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.16
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
51.02356	0.8
53.03918	0.8
53.45700	0.5
55.01848	1.9
65.03922	1.0
67.05476	0.6
68.99778	4.8
69.25613	2.1
69.26032	3.2
77.03901	0.7
79.01834	0.5
79.05479	0.6
81.02975	0.4
81.03400	2.7
85.02886	0.6
89.03948	0.5
91.05498	0.5
95.04977	2.2
99.04436	1.0
103.05492	0.6
105.03376	0.6
106.91380	0.5
107.04952	3.1
109.02875	3.3
111.00800	3.7
111.04425	3.4
115.05453	0.9
117.03385	0.6
119.04938	1.2
121.02866	1.3
123.04421	83.6
124.04742	0.7
127.03909	100.0
128.04286	1.0
131.04915	1.9
135.03564	0.5
135.04408	30.9
137.02293	3.4
139.03893	43.8
141.06967	0.9
143.03415	1.0
143.04875	1.2
145.06474	0.5
147.04404	7.4
149.02325	5.4
149.06007	1.5
151.03896	14.7
153.01825	12.4
153.07133	0.5
155.03389	0.5
155.04927	0.9
157.06519	1.0
159.04404	3.0
161.05989	2.8
163.03900	38.5
164.04552	0.5
165.05527	4.0
167.03404	8.3
167.04713	0.7
169.06503	1.8
171.04379	0.5
173.05959	2.9
175.03940	4.5
177.05438	4.4
179.03365	4.5
181.05014	0.8
181.06522	1.1
183.04413	0.9
185.06047	1.4
187.03865	6.4
187.07526	0.7
189.05473	3.8
191.03395	14.4
191.10411	0.4
193.04926	3.8
197.05965	3.5
201.05466	7.6
203.03395	11.2
203.05165	0.7
203.07071	2.1
205.04999	3.2
213.05525	1.9
215.03462	1.9
215.06998	3.1
217.04947	2.2
225.05518	2.0
227.03441	0.6
227.07149	0.7
228.68741	0.5
229.04958	8.9
231.06445	2.5
233.04439	7.5
237.05467	1.0
241.05081	2.0
243.06516	5.2
245.04448	7.4
247.06013	23.1
251.05580	1.8
253.05164	1.5
255.06693	2.1
257.04428	10.4
257.07013	0.6
258.05096	0.6
259.06015	8.4
261.07727	0.7
265.05087	0.6
269.04401	5.6
271.05994	19.3
272.06564	0.6
273.07571	6.0
275.05499	14.9
275.08374	0.9
279.06625	0.7
283.05988	8.5
285.07767	1.4
287.05493	27.8
288.06128	0.9
289.07043	12.1
289.10043	0.7
291.08792	2.1
295.06201	0.6
297.07663	0.9
299.05496	4.9
301.07080	11.9
303.08795	0.8
313.07086	0.6
315.08875	0.8
325.07391	0.9
379.08380	1.0
391.08133	3.5
393.09930	2.0
409.09161	24.9
411.11044	0.7
417.10095	0.6
421.09061	2.3
427.10233	2.6
435.11111	1.7
443.10086	1.3
477.05005	0.5
543.13226	0.9
579.11725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01866	1.2
55.05505	7.7
57.03413	1.4
62.22480	1.0
63.96019	0.9
65.03918	1.2
67.05502	33.0
69.03410	2.0
69.07060	7.1
69.40479	3.1
69.40897	5.7
69.44682	0.9
70.06577	3.1
71.04993	18.8
72.08151	95.0
79.05055	1.6
79.05490	22.8
79.05949	1.4
81.07054	35.7
83.04975	2.8
83.08598	4.7
83.45026	0.9
85.06542	2.5
90.09167	1.0
91.05475	23.8
93.07037	26.3
95.04959	3.6
95.08605	15.1
97.06517	3.0
98.11838	0.9
105.07026	10.1
107.08585	13.7
109.06525	1.1
109.10141	5.0
111.08081	1.8
117.07008	2.9
119.08564	4.1
121.10146	7.2
123.11688	5.2
131.08574	4.2
133.10132	10.6
135.11708	5.8
145.10081	2.1
147.11685	1.9
149.13252	3.6
151.11162	4.0
153.41898	1.0
159.11659	4.2
161.13261	1.0
170.05775	30.0
177.12679	1.1
183.13783	3.0
226.48524	1.1
261.21921	1.6
269.17545	1.9
285.17172	1.2
303.34375	1.0
363.24948	1.2
475.33981	1.5
517.38824	8.8
529.38971	3.8
561.41479	100.0
562.41602	3.1
563.09937	1.0
587.80817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01870	1.1
55.05508	4.4
55.05756	0.6
56.05024	1.1
57.03439	2.3
57.05801	0.8
57.07090	0.5
61.02918	0.6
65.03924	1.0
67.05502	16.2
67.05863	0.8
69.03423	1.1
69.07066	4.6
70.06582	3.1
71.05001	1.1
71.08629	7.1
72.08152	100.0
77.03899	0.4
77.94508	0.4
79.05106	0.3
79.05486	15.5
81.03403	5.9
81.07052	16.0
83.04977	3.6
83.08614	3.3
85.02903	3.6
85.06537	1.3
90.09227	0.8
91.04885	0.7
91.05473	15.0
93.07037	14.3
95.04963	5.7
95.08603	9.4
97.02903	0.5
97.06537	3.2
97.10168	1.4
99.08090	4.5
105.07027	9.6
107.04919	2.6
107.08588	6.6
109.06516	2.0
109.10157	3.4
111.08097	1.7
113.09631	0.9
113.48586	0.5
115.05481	0.6
117.06966	2.3
119.08588	6.7
121.06528	0.6
121.10143	6.6
123.08099	1.0
123.11688	0.7
125.09646	0.6
129.07011	2.7
131.08554	3.6
133.10121	5.0
135.11702	5.4
137.09587	0.9
141.09123	0.7
142.07756	0.8
143.08571	0.6
145.10146	1.9
147.08086	0.5
147.11650	3.2
149.09595	0.9
149.13269	2.3
151.11182	3.0
157.10136	2.3
159.11688	0.7
161.13235	3.1
163.11156	2.6
165.12701	0.7
170.05769	13.6
171.11714	1.4
173.13272	0.6
175.11162	0.9
177.12759	1.4
179.14299	18.3
189.12665	0.6
193.12265	2.6
195.13924	0.5
199.14714	0.4
211.13290	2.9
221.15370	0.6
235.17023	0.7
241.19588	0.5
259.20615	1.4
267.15952	3.7
269.17310	0.7
275.20303	0.7
277.21616	15.5
281.10565	0.9
283.13889	0.7
285.17072	1.3
295.22647	1.3
299.11667	0.9
333.24179	0.5
351.25241	3.6
353.15924	1.1
397.18268	1.2
443.22787	0.6
461.28918	2.0
463.30600	1.6
543.36884	8.7
561.37854	43.2
562.38519	0.7
730.42096	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30531	0.5
53.03942	1.7
55.01871	1.5
55.05511	5.2
56.05030	1.0
56.96557	0.6
57.03438	1.6
57.05813	0.6
57.07077	0.7
58.06598	0.7
65.03928	0.7
67.05505	15.4
69.03421	0.8
69.07062	4.3
69.92896	2.7
70.06600	3.2
71.04987	1.6
71.08630	7.9
72.08154	100.0
73.07806	0.4
79.05492	13.9
81.03418	6.1
81.07055	17.0
83.04974	3.3
83.08614	2.6
85.02911	3.2
85.06551	0.6
90.09186	0.7
91.03977	0.8
91.04630	0.5
91.05483	15.0
93.07043	15.5
95.04977	5.5
95.08606	8.8
97.02908	0.6
97.06525	2.1
97.10188	0.7
99.08092	5.1
101.21842	0.4
103.03161	0.4
105.07028	10.7
107.04963	3.1
107.08595	7.1
109.06560	1.4
109.10139	3.3
111.08096	1.1
113.06020	0.5
113.09643	0.9
117.07025	1.8
119.08578	6.8
121.10149	5.7
123.08047	0.6
123.11714	0.5
125.09620	0.5
129.06993	2.7
131.08566	2.4
133.10129	4.8
135.11685	5.9
137.09630	0.8
139.11153	0.5
141.09201	0.7
142.07771	0.8
145.10143	1.0
147.11694	3.0
149.09639	1.4
149.13243	2.8
151.11156	3.2
157.10175	2.3
159.11740	1.5
161.13249	2.8
163.11130	2.3
170.05769	14.5
171.11736	1.6
173.13213	0.6
175.11211	1.7
175.14844	0.7
177.12759	1.0
179.12726	0.9
179.14296	17.6
185.13260	0.6
193.12265	2.6
195.13785	1.0
197.13197	0.5
211.13315	2.9
229.07596	0.5
235.16890	0.9
241.19530	1.1
259.20578	1.1
267.15891	3.1
273.85544	0.5
275.20126	1.0
277.21616	15.4
281.17545	0.6
285.10046	0.8
285.17160	0.8
295.22894	1.1
351.25403	2.7
353.16043	0.7
353.66516	0.7
397.18701	1.2
461.28952	1.5
463.30692	1.6
543.36798	8.6
561.37860	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	729.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85760	0.4
53.03942	0.6
55.05495	0.9
55.08907	0.4
56.96599	0.4
57.03432	1.8
59.04992	1.0
61.02926	4.2
67.05510	1.8
68.37736	0.4
69.03414	3.0
69.07051	0.6
70.03130	2.1
71.04990	1.8
73.02921	3.0
79.05489	2.9
83.04993	1.3
83.08614	1.5
85.02904	4.9
85.06555	0.6
87.04445	0.7
91.03945	3.2
91.05481	3.3
93.07042	2.3
95.04976	2.3
95.08601	1.2
97.02894	4.5
97.06530	1.0
99.04470	0.7
101.02387	1.6
103.03968	0.4
104.67751	0.4
105.07037	2.4
107.04974	0.9
107.08616	1.1
109.02913	0.5
109.06539	0.6
110.68261	0.4
111.08099	0.8
115.03947	0.4
117.07088	0.5
119.08591	2.4
121.10155	1.9
123.08066	0.5
127.03944	1.1
129.07047	1.2
131.08533	2.0
133.10112	1.1
145.05038	0.5
147.11720	1.8
149.09634	1.9
157.10167	1.7
175.11150	2.0
193.12202	2.6
211.13339	0.9
212.08463	0.4
220.02779	0.5
225.14964	0.6
243.08437	2.9
249.84503	0.4
251.12613	1.4
267.15909	1.0
269.12628	0.5
283.15149	3.8
310.20230	0.4
348.60211	0.4
469.20496	10.3
501.23087	12.2
729.36639	100.0
730.36816	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	729.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.05508	1.3
56.96546	0.3
57.03427	1.7
61.02919	5.1
66.92467	0.3
67.05503	5.7
67.45177	0.3
67.65609	0.3
69.03425	3.0
69.07060	1.3
71.04987	6.2
72.08140	0.5
73.02916	4.0
75.04460	0.2
76.02184	0.2
79.05492	2.9
79.29846	0.3
82.07508	0.3
83.04971	0.7
83.08615	1.2
85.02892	4.3
85.06536	0.8
87.04479	0.5
88.22987	0.3
89.74795	0.3
91.03943	3.0
91.05473	4.1
93.07035	3.4
95.04969	0.9
95.08615	1.4
97.02879	4.6
97.06542	1.0
98.21639	0.5
99.04449	1.0
101.02371	1.7
101.02934	0.3
103.03951	0.6
105.07014	2.0
107.08586	2.6
109.02876	1.1
109.06495	0.5
109.10139	0.6
111.08063	0.6
115.03893	0.5
117.07024	1.0
119.08592	0.5
121.10162	0.6
123.04473	0.3
123.11684	1.9
127.03934	1.4
129.05367	0.3
131.08568	1.1
133.10117	3.8
135.11682	0.9
147.11693	0.3
149.13281	1.2
151.11188	1.8
153.01863	0.5
159.11746	0.8
177.12785	0.3
183.13858	0.8
185.04185	0.4
187.13351	1.0
193.89380	0.3
195.13750	0.6
203.05341	0.3
243.08339	2.7
243.15956	0.6
257.17462	1.5
267.15637	2.9
269.17804	0.3
301.20148	0.4
323.18448	0.9
401.90326	0.3
441.21039	0.5
453.21130	1.1
485.23550	17.6
486.24554	0.4
560.37494	0.5
565.82092	0.3
567.34314	0.4
657.34277	0.4
729.40228	100.0
730.40552	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	729.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22796	1.7
56.96552	3.1
58.99861	5.2
61.15465	2.3
68.69730	1.6
69.03419	4.4
69.42765	11.5
69.43191	5.5
69.78804	2.0
77.00902	13.7
81.03440	4.7
84.96096	1.7
85.02905	6.8
85.72188	1.7
95.01939	7.8
97.02891	5.8
98.97579	7.3
99.04468	1.6
101.00883	5.5
105.00345	3.0
107.04945	19.0
109.02841	3.7
109.55808	1.6
115.02405	3.0
116.98646	5.0
118.01140	4.9
119.01913	51.5
123.01485	1.8
123.04426	3.0
127.03923	5.3
131.01907	11.1
133.03468	5.6
135.01376	11.5
136.93192	2.3
137.02979	12.1
139.02425	2.8
142.01125	2.1
143.01918	6.1
145.03462	10.8
146.99643	2.5
147.01378	6.8
149.03015	4.3
153.01817	6.0
153.02452	11.2
154.94151	2.6
155.01875	2.2
156.02750	10.3
157.03468	25.7
158.99767	2.0
159.01407	8.7
159.05037	6.4
160.02216	5.9
161.02963	15.5
163.00748	2.1
163.04593	2.2
165.03996	3.0
167.01921	4.9
167.05554	3.5
169.03453	4.2
171.05038	3.6
172.95175	9.0
173.01341	1.9
173.02930	5.7
175.04501	10.0
177.00819	3.8
177.02440	8.8
177.03868	3.1
181.03439	5.7
183.05040	7.8
184.02151	7.4
185.02989	14.9
185.06567	14.8
187.04517	4.1
189.00761	4.0
190.96318	6.4
191.77943	1.7
193.00302	2.4
193.01918	3.6
193.03502	3.4
195.05023	100.0
196.05519	2.1
197.06508	5.7
198.98485	13.9
199.04538	15.2
200.04401	2.5
201.00653	3.8
203.03986	9.9
207.05016	14.7
208.05849	2.4
209.06544	4.1
211.04552	4.4
213.06076	25.7
214.96303	9.9
216.99585	5.6
217.03694	3.4
217.05605	12.5
218.04346	3.9
218.06450	2.4
219.01791	5.6
219.05099	5.0
221.05075	5.2
223.04509	10.2
225.06133	20.6
229.05586	5.3
232.97350	3.8
233.02985	2.3
235.04507	16.2
235.06657	41.7
236.05199	2.9
237.02708	4.6
237.06114	9.4
239.04033	5.0
241.05507	2.7
243.07126	15.5
244.97395	2.4
245.05055	2.9
248.05397	3.1
249.06154	8.0
251.04012	6.7
253.05515	51.2
253.07742	86.9
257.05011	13.5
261.02835	4.5
263.05954	4.0
266.02917	2.8
266.06323	4.1
267.07181	7.6
269.05103	11.1
271.06448	31.3
271.08716	4.7
273.03033	2.2
276.06876	13.5
279.03772	6.5
279.06833	2.4
281.02280	2.5
281.07300	12.7
281.57205	3.0
283.06625	3.5
285.09537	2.5
290.91354	2.0
293.04523	3.5
293.07642	11.0
294.07938	7.0
295.06537	5.1
296.06662	2.8
297.04544	34.5
301.01773	4.4
305.06995	5.2
305.57358	2.6
311.06049	18.4
311.08633	7.2
313.09015	3.4
315.05698	2.8
316.99289	3.0
320.06369	2.4
321.04669	3.4
341.08740	2.9
355.05066	12.2
359.09775	6.7
361.68875	2.1
362.59863	2.9
369.10358	2.3
371.11862	5.5
373.06216	11.8
373.10437	2.0
373.45770	2.1
383.11627	6.0
386.92972	2.7
387.08829	10.1
397.09848	15.7
399.11087	3.4
401.06570	4.5
401.11368	5.8
403.08771	3.0
405.09766	2.2
411.11386	22.8
415.10941	48.2
417.10291	2.3
428.07507	2.6
429.12210	19.0
437.09283	5.7
438.12640	2.8
445.09775	2.5
455.10312	36.8
459.07672	12.3
473.10156	64.3
477.08701	13.2
479.04849	11.6
491.10938	12.1
501.20773	2.0
509.10071	7.1
517.08325	11.0
535.09387	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	728.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01855	1.5
55.05504	16.6
55.62804	1.3
56.53944	1.4
57.03430	13.2
57.07070	2.6
61.02916	4.7
65.03928	1.4
67.05502	68.1
69.06723	1.4
69.07066	20.6
71.04977	4.3
71.08618	2.0
79.05492	28.6
81.07053	66.4
83.04969	2.3
83.08620	15.4
85.02895	3.9
85.06535	5.9
91.05481	13.4
93.06470	1.8
93.07043	31.4
95.04958	4.0
95.08601	100.0
97.02906	2.7
97.06524	5.8
97.10155	4.6
98.20766	2.8
99.08052	1.9
105.07040	12.2
107.08579	15.0
108.36628	1.3
109.06557	1.5
109.10147	29.2
110.20274	1.3
111.08044	2.7
114.00276	1.2
117.06979	2.9
119.08562	11.1
119.50867	1.4
121.10145	13.9
123.08057	1.9
123.11686	3.3
127.76248	1.4
131.08557	5.7
133.10114	11.4
135.11703	9.7
137.13240	4.3
145.10118	4.4
145.55722	1.4
147.11644	2.7
149.13243	5.0
159.11707	2.6
161.13287	14.3
163.14827	2.4
173.13303	2.7
179.14256	7.6
179.73573	1.4
187.14813	1.6
197.15317	2.2
215.16327	2.4
243.21080	2.8
261.22183	9.0
261.44995	1.5
269.17554	2.5
271.19022	97.5
317.24643	4.1
335.25787	96.5
336.25974	2.5
373.32339	1.5
379.44830	1.5
531.40393	87.4
532.40442	4.3
549.41083	2.3
747.83545	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.6
55.01861	8.6
55.05508	40.8
57.03430	28.2
59.66180	4.0
61.02927	7.8
67.05502	89.2
69.07073	25.3
71.01337	7.8
71.04985	12.5
71.59847	6.5
71.60289	6.8
72.08163	25.5
79.05491	100.0
81.03422	10.3
81.07057	73.7
83.04977	16.4
83.08611	14.5
85.02902	10.6
85.06519	7.0
91.03946	5.3
91.05474	69.3
93.07040	99.5
95.04963	12.3
95.08607	43.5
97.02902	6.9
97.06505	14.4
97.10160	15.7
99.08084	6.2
105.07026	61.1
107.04956	5.8
107.08595	57.2
109.10173	24.8
115.95742	4.3
117.07013	20.2
119.08571	65.3
121.10133	33.5
125.09650	4.4
129.07010	10.0
131.08563	30.8
133.10136	44.1
135.11699	65.2
137.09616	7.9
140.59035	4.6
143.08583	9.5
145.10135	33.1
147.11674	47.3
149.13277	14.0
157.10138	14.5
157.55133	4.1
159.11691	19.8
161.13248	25.6
163.11195	11.3
170.05779	13.9
170.76253	4.8
171.11713	19.3
173.13232	12.4
175.14847	16.7
181.12233	14.3
185.13269	13.0
187.14899	7.5
199.14810	7.2
231.21107	10.2
241.19484	33.9
253.14355	13.0
255.15889	91.5
257.06931	7.9
259.20575	86.4
280.08945	4.4
315.22958	6.0
332.11172	12.3
333.24268	51.8
358.98380	5.4
462.21454	7.3
471.22098	6.6
471.72852	9.8
513.35736	66.0
531.36584	21.1
559.36096	34.6
742.39148	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	727.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84325	0.4
51.94007	0.4
53.03936	0.7
55.01867	0.8
55.05494	1.9
55.18594	0.4
57.03428	2.0
59.04985	1.0
59.84270	0.5
61.02922	3.9
67.05499	5.8
69.03426	2.8
69.07062	1.6
69.59411	0.4
71.01326	0.7
71.04978	2.3
71.59349	0.4
71.59708	0.6
73.02917	2.2
79.05481	4.5
81.03403	6.3
81.07053	4.8
83.04971	2.0
83.08607	1.9
85.02897	4.5
87.04472	0.6
91.03952	2.5
91.05467	4.5
93.07034	4.2
95.04958	3.1
95.08589	2.7
97.02870	4.2
97.06525	1.1
98.03277	0.5
99.04430	1.0
101.02381	1.4
101.33628	0.6
103.03933	0.7
105.07006	3.1
107.04964	1.4
107.08580	2.9
109.02870	0.7
109.06513	1.2
109.10153	1.5
111.04424	0.6
111.08076	0.9
117.06998	1.1
119.08546	2.6
121.06519	1.0
121.10120	2.6
123.08073	0.9
127.03915	1.2
129.06990	1.2
131.08580	1.8
133.10156	1.4
135.11668	2.9
144.48636	0.5
145.06502	0.6
145.10126	2.2
147.11696	1.5
149.09663	1.8
151.11191	0.6
157.10138	1.3
163.11153	3.2
175.11258	0.8
181.12201	0.7
193.12193	2.5
194.12717	0.5
211.13257	0.7
219.09923	0.5
225.14769	0.6
227.12798	3.1
243.08495	3.3
249.10954	6.4
259.73932	0.6
267.09064	1.2
267.15906	1.5
268.16254	0.7
269.12411	0.7
281.13739	0.5
283.08746	0.7
283.15094	2.9
285.10132	1.7
288.18118	0.5
292.26959	0.5
305.13583	1.6
323.86319	0.5
329.14154	0.7
339.17770	0.9
447.27203	0.6
448.27921	1.9
461.29050	1.7
462.29382	3.1
467.18814	11.1
469.20660	1.1
499.21564	0.9
501.23065	13.1
565.30115	0.7
727.35016	100.0
728.35211	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	727.2072
Annotation	hermannioside A
Peak:m/z	Relative Intensity
53.03930	0.8
55.01861	0.7
55.05497	1.0
57.03433	5.7
57.18859	0.4
59.04999	0.5
61.02923	0.6
64.51760	0.5
65.03902	0.5
68.99773	0.7
69.03083	0.5
69.03426	7.0
71.01319	0.8
71.04991	30.5
71.09719	1.0
71.62755	0.5
73.02906	5.4
75.04463	2.0
81.03403	0.9
83.04969	5.2
85.02901	39.4
85.89597	0.5
87.04465	1.0
95.04967	1.1
97.02908	1.3
99.04420	2.1
109.02856	0.7
111.00798	0.6
111.04442	3.6
113.06005	1.2
115.03928	0.7
117.05473	4.0
121.02850	1.0
122.17781	0.5
127.03886	1.2
129.05472	11.4
137.02318	7.0
147.06512	3.1
149.02357	0.6
150.00735	0.6
153.01826	2.9
153.05482	1.5
161.02321	0.6
163.03909	0.8
163.06036	3.9
165.01807	2.0
165.03073	0.4
171.06517	0.8
183.02879	0.5
184.47015	0.5
195.02902	0.8
201.05457	1.6
222.07054	0.5
225.07428	0.8
229.04955	4.0
239.09193	1.2
247.06075	0.8
257.04373	3.4
259.06161	0.8
274.04691	1.0
285.03961	1.6
299.05518	1.8
302.04172	1.8
303.04977	100.0
304.05310	1.8
310.57480	0.5
313.06888	0.7
315.04977	10.8
316.05716	2.0
326.04703	0.4
327.04962	4.5
329.06613	0.6
341.06570	2.9
345.06039	22.7
351.08795	0.7
353.06528	1.3
357.05994	0.5
367.07990	1.2
369.06046	7.6
395.07602	6.1
413.08688	10.5
431.09698	6.2
435.09216	20.3
436.09613	0.9
449.10858	12.1
477.10263	4.5
501.10086	1.0
545.13025	4.9
563.13855	3.4
581.15027	12.9
582.15857	0.7
595.16345	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	726.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01860	2.1
55.05505	14.0
57.03431	13.5
57.07067	2.2
61.02905	3.5
65.03931	1.1
67.05498	63.8
69.03412	1.4
69.07059	23.0
71.04969	3.9
71.08616	1.0
73.02891	2.0
79.05484	36.3
81.03402	1.3
81.07048	70.6
83.04971	6.8
83.08612	12.1
85.02898	2.6
85.06532	3.4
91.05470	20.9
93.07036	56.3
94.18386	0.8
95.04956	6.8
95.08598	32.1
96.69461	0.9
97.02878	1.9
97.06535	9.0
97.10154	2.0
98.21498	2.5
99.08073	2.3
105.07029	9.9
107.08585	34.6
109.06499	1.5
109.10145	9.9
111.08044	6.8
111.11735	1.1
117.06998	8.5
119.08553	6.6
121.06477	1.1
121.10131	23.2
123.11694	4.3
125.09671	1.1
131.08568	8.8
133.10129	7.6
135.11670	10.0
137.13226	1.2
145.10059	3.5
147.11676	4.3
149.13239	29.2
159.11671	13.6
161.13226	3.5
163.14824	1.6
173.13217	2.8
175.14803	1.0
176.89005	1.0
177.12733	5.3
195.13745	10.0
213.14705	1.5
229.73607	1.4
243.21158	3.1
261.22040	9.2
267.15958	1.8
269.17456	100.0
270.17792	3.4
317.24692	2.3
321.27808	1.1
335.25766	57.4
336.26089	1.8
378.63257	1.3
407.28082	1.0
455.35318	1.3
529.38843	92.2
530.39136	5.7
547.39935	1.4
633.45917	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99628	1.2
52.72004	1.0
53.03946	3.6
55.01869	2.1
55.05503	15.5
57.03435	11.1
57.07070	3.2
57.35005	1.1
61.02917	4.7
65.03938	1.6
67.05502	54.1
69.03449	1.3
69.07066	16.2
71.04977	2.5
71.08619	1.3
71.37672	1.4
72.08149	3.6
73.02907	1.1
79.05051	2.3
79.05490	32.7
81.03427	2.7
81.07052	65.5
83.04967	4.6
83.08612	11.1
85.02907	4.7
85.06554	2.7
91.03957	2.1
91.05473	19.5
93.07035	47.9
95.04989	5.4
95.08601	33.3
97.02888	2.2
97.06499	5.5
97.10159	1.4
103.64944	1.1
105.07027	11.8
107.08584	28.8
107.09282	1.7
109.06505	1.2
109.10151	14.0
111.08086	3.1
117.07021	7.6
117.43497	1.1
119.08573	7.4
121.06527	1.7
121.10128	16.3
123.11706	5.0
131.08553	9.8
133.10103	11.9
135.11688	11.3
145.10110	5.2
147.11716	3.3
149.13246	13.5
159.11679	7.2
161.13239	2.1
163.14835	1.5
165.07858	1.4
173.13214	1.7
177.12787	2.5
195.13806	8.1
213.14879	1.8
243.21027	2.5
261.22061	7.2
269.17459	58.1
289.88641	1.3
317.24948	2.0
330.30188	1.2
335.25781	100.0
336.26138	2.7
344.08084	1.3
394.03058	1.1
398.00333	1.4
437.34262	2.4
511.37930	2.1
529.38855	98.0
530.39124	4.7
545.09918	1.3
547.39752	2.6
565.83704	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.5
55.05511	30.4
57.03428	25.0
61.02925	32.9
65.03927	8.2
66.69736	3.7
67.05505	67.7
68.05815	4.8
69.03420	15.4
69.07069	30.1
71.04979	15.0
71.20367	5.5
71.20737	6.1
73.02905	12.4
79.05058	6.1
79.05489	69.2
81.03428	23.7
81.06577	6.6
81.07053	100.0
83.04964	11.6
83.08612	16.9
85.02898	47.1
85.06549	7.0
91.03936	18.9
91.05467	58.6
93.07040	78.4
95.04958	19.1
95.08600	36.5
97.02885	28.6
97.06528	17.1
97.10134	7.1
99.04446	9.8
103.05481	5.1
105.07029	56.9
106.22973	4.6
107.04936	9.8
107.08595	47.8
109.06512	6.8
109.10141	14.1
111.08078	8.1
117.07033	21.9
119.08569	42.2
121.06509	4.6
121.10138	27.1
123.08085	7.8
127.03918	11.4
129.05455	5.2
129.06979	6.5
131.08565	25.3
133.06517	5.8
133.10132	38.3
135.08072	9.3
135.11668	22.2
143.08565	6.2
145.04970	16.0
145.06529	4.1
145.10130	19.7
147.08035	4.9
147.11656	32.9
149.09621	11.4
149.13251	22.0
157.10143	11.1
159.11684	17.6
161.13205	13.2
163.05994	8.5
163.11218	6.8
168.38240	4.6
171.11655	9.6
173.13248	7.8
177.12747	11.8
185.13309	7.1
193.12283	6.2
195.13805	11.3
199.14731	6.7
211.13181	5.3
241.19473	6.5
257.19046	7.4
259.20584	38.9
267.09161	7.3
267.15845	15.8
269.17438	64.6
275.20068	17.9
281.17200	4.7
285.10065	6.7
349.23868	20.0
351.25278	50.6
453.28342	11.2
461.28955	23.7
464.19403	4.4
479.29807	6.2
495.28983	5.3
511.32401	18.4
545.40930	4.1
726.34613	5.5
727.33063	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	725.371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03934	0.3
53.03939	0.6
55.01873	0.4
55.05499	1.4
57.03433	1.5
59.04988	1.2
61.02924	4.1
65.77332	0.3
66.29019	0.3
67.05505	4.5
68.05801	0.4
69.03424	1.9
69.07059	1.1
71.01325	0.4
71.04993	1.5
73.02899	2.7
79.05492	5.3
81.03410	4.0
81.07061	4.6
83.04986	1.1
83.08627	1.3
85.02900	4.5
85.06535	0.6
87.04480	1.0
91.03950	2.3
91.05473	5.0
92.30547	0.3
92.75809	0.3
93.07040	4.3
95.04955	2.2
95.08607	2.2
97.02883	3.3
97.06521	0.8
99.04446	0.9
99.08096	0.4
101.02392	1.4
103.04003	0.6
105.07027	3.6
107.04980	1.0
107.08569	1.8
109.02905	0.5
109.06532	0.5
109.10155	1.0
111.08113	1.2
115.03938	0.5
117.07050	0.8
119.08630	2.0
121.10159	1.4
123.11791	0.3
127.03935	1.4
129.05518	0.4
129.07028	1.3
131.08585	1.2
133.10130	1.5
135.11592	0.4
143.08609	0.5
145.10181	0.6
147.08168	0.4
147.11688	2.5
149.09657	1.4
157.10178	1.1
161.13277	0.4
171.11761	0.7
175.11232	0.8
189.12712	0.4
193.12312	1.1
193.60818	0.3
207.13828	0.5
225.15256	0.5
229.14337	0.6
243.08437	2.5
247.13022	1.3
267.15948	0.6
269.17560	1.0
281.17630	0.7
283.15121	2.8
339.17926	1.1
424.27890	0.5
465.20886	9.7
501.23050	9.1
563.31763	0.5
714.11017	0.4
722.43744	0.4
725.37140	100.0
726.37579	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	725.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19960	0.4
55.05507	1.1
58.65345	0.4
61.02927	0.6
62.38700	0.5
67.05492	1.6
69.07053	0.7
71.04988	0.6
71.60174	0.7
79.05475	0.9
81.03391	0.7
81.07054	2.7
91.05466	1.3
93.07024	1.2
95.04967	0.5
95.08646	0.6
97.02871	0.9
105.07043	1.0
107.04939	0.7
107.08591	0.7
109.10139	1.3
117.07161	0.4
119.08590	0.6
123.77922	0.5
234.80138	0.4
236.33453	0.5
250.90390	0.5
481.18442	0.7
501.21143	0.5
698.47595	0.6
725.34985	100.0
726.35303	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	725.2272
Annotation	Kaempferol 3-rhamnosyl-(1->4)-rhamnoside-7-rhamnoside
Peak:m/z	Relative Intensity
53.03940	1.5
55.01872	1.4
55.05508	5.3
57.03437	15.4
59.05013	1.1
61.02924	1.3
61.85008	0.9
69.03426	16.2
71.01354	2.8
71.04989	84.9
71.60289	2.0
73.02921	10.1
75.04478	3.9
79.05450	1.0
81.03410	2.5
83.04977	29.5
85.02901	100.0
87.04456	2.8
95.04989	5.3
97.06518	2.2
99.04482	6.3
101.06015	1.2
106.31943	1.0
107.04948	1.4
109.02886	2.3
111.04436	21.8
113.06025	3.8
115.05557	1.0
117.05495	8.7
120.65587	1.0
121.02865	11.5
121.06483	0.9
123.04433	1.3
127.03938	2.7
128.30389	1.1
129.05469	29.7
135.04390	0.9
135.55319	1.1
137.02347	1.2
137.06018	1.0
145.04933	1.3
147.04362	1.4
147.06517	8.2
148.55396	1.1
149.25960	1.0
153.01810	4.4
153.05434	5.9
157.04970	1.8
159.06544	1.6
161.02274	1.2
163.06013	10.6
171.06570	1.7
195.06537	2.5
201.07596	1.3
213.05496	1.6
213.07428	1.3
239.09178	8.5
257.10352	1.9
258.05243	1.1
259.05920	1.2
275.11221	3.8
283.05988	4.0
284.16382	1.1
286.04681	2.5
287.05475	73.5
288.05905	1.9
293.12314	1.9
297.07693	1.7
299.05527	15.6
300.06299	5.0
311.05634	6.1
313.07050	3.3
323.05463	1.7
325.07144	6.5
327.09103	1.2
329.06534	45.9
337.07068	2.4
339.05096	1.4
341.06549	3.1
351.08783	4.4
353.06473	17.8
370.56006	1.1
371.07745	2.1
379.08200	12.4
397.09158	29.6
398.09735	1.9
415.10239	19.4
433.11288	35.1
439.10202	2.5
457.11337	2.2
475.12317	2.2
525.13904	3.0
579.17126	18.5
725.36737	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	725.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.9
53.03933	0.6
55.01865	2.0
65.03946	2.1
67.05495	1.5
68.99783	6.0
69.03423	0.4
69.68332	1.6
69.68764	1.1
71.04996	0.6
77.03944	1.2
79.05492	1.4
79.66506	0.3
81.02994	0.4
81.03414	2.8
83.19069	0.4
85.02914	1.2
89.03915	0.9
91.04959	0.5
91.05478	6.8
93.03411	0.6
95.04967	2.1
97.02865	0.4
99.04436	0.8
100.11255	0.5
103.05467	0.5
105.03370	1.3
107.04960	3.6
109.02896	3.0
111.00791	4.0
111.04430	4.6
115.05444	1.0
116.58035	0.3
117.07032	0.4
119.04933	13.0
121.02840	1.7
123.04419	100.0
124.04739	0.7
127.03905	91.6
128.26796	0.3
129.03163	0.4
129.07001	0.7
131.04929	2.6
133.06480	0.5
135.04405	36.1
137.02304	3.3
137.05957	0.6
139.03888	58.7
141.06999	1.0
143.04915	0.9
145.06464	1.2
147.04398	50.4
149.02313	4.8
149.05943	1.8
151.03891	16.2
153.01811	0.7
153.06976	0.6
155.04897	1.1
155.23126	0.4
157.06497	1.0
159.04391	3.4
161.05977	2.6
163.03897	37.4
165.05464	2.6
167.03401	8.5
167.04703	0.3
169.06468	1.7
173.05977	3.0
175.03879	4.3
175.07617	0.5
177.05496	3.7
179.03374	4.8
181.04956	1.0
181.06470	1.1
182.15297	0.5
183.04436	1.2
185.05942	1.5
187.03880	6.4
187.07545	0.5
189.05435	4.8
191.03372	12.1
193.04968	4.5
197.05954	3.3
199.03879	0.6
199.07591	0.4
201.05467	8.6
203.03387	10.6
203.06966	2.2
205.04921	3.2
213.05406	2.3
215.03374	1.6
215.07089	3.0
217.04947	1.7
219.06441	0.7
225.05447	1.2
227.03369	0.5
227.06973	0.7
229.04961	7.8
231.06506	2.8
233.04472	5.4
237.05411	1.1
241.04961	2.1
243.06522	4.7
245.04448	6.9
247.06001	22.2
251.05431	2.1
253.04965	0.9
255.06471	2.8
257.04446	9.0
258.05173	0.5
259.05988	7.7
261.07602	1.1
269.04437	5.2
271.05994	20.5
273.07544	9.3
275.05463	12.9
279.06677	0.5
283.05994	9.3
284.06396	0.4
285.07593	2.2
287.05484	27.2
288.05927	0.6
289.07034	11.8
291.08661	0.6
295.05963	0.8
297.07587	1.1
299.05475	4.4
301.07059	14.4
302.07181	0.4
303.04956	0.7
307.05811	0.6
311.05460	1.1
315.08505	1.1
323.09155	0.4
325.07050	0.6
379.08151	1.1
391.08072	3.4
393.09830	2.8
409.09143	24.9
411.10211	0.5
421.09213	2.9
426.72958	0.4
427.10165	3.9
433.09271	0.5
435.10352	1.6
439.10071	0.6
543.12579	0.9
555.13049	0.6
561.13489	0.8
579.14502	0.5
725.50702	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.8
53.00293	0.4
53.03926	1.0
55.01849	1.7
58.26519	0.4
65.03928	2.5
66.92223	0.5
67.05482	1.1
68.99785	4.7
71.04948	0.9
71.11953	1.0
77.03910	0.8
79.05496	1.1
81.03409	3.3
85.02889	1.6
89.03912	1.1
91.05477	8.0
93.03374	0.8
95.04952	1.7
99.04440	0.7
100.11271	0.6
103.05468	1.1
104.86089	0.6
105.03390	1.1
107.04934	3.8
107.26558	0.5
109.02870	3.5
111.00806	4.5
111.04416	5.1
115.05495	0.5
117.03390	0.7
117.06996	0.5
119.04949	15.4
121.02852	2.0
121.06536	0.6
123.04424	81.2
127.03912	100.0
128.04282	0.6
129.06963	0.5
131.04945	2.9
133.06464	0.6
135.04408	34.7
137.02327	3.7
137.05980	1.8
139.03897	46.2
141.06982	1.2
143.04900	0.7
145.06491	1.3
147.04404	52.3
148.04851	0.6
149.02316	4.8
149.05991	1.8
151.03903	14.8
153.01869	0.8
157.06541	0.8
159.04401	3.9
161.05960	2.5
163.03903	38.6
165.05460	2.7
167.03403	8.6
169.06525	1.8
173.05998	3.3
173.07298	0.5
175.03874	3.6
175.07562	0.7
177.05455	4.9
179.03400	4.8
181.05003	1.1
181.06500	1.1
183.04478	1.4
185.05988	1.7
187.03854	5.5
187.07617	0.9
189.05453	2.9
191.03387	11.6
191.05052	0.8
193.04988	4.2
197.05992	3.9
201.05460	6.4
203.03378	9.2
203.07088	1.9
205.04985	2.8
213.05505	2.0
215.03412	0.9
215.06857	2.9
217.05078	1.7
225.05525	1.1
227.07007	0.9
229.04930	7.8
231.06482	2.3
233.04463	5.3
237.05536	0.8
241.05086	1.7
243.06555	4.0
245.04474	7.5
247.06018	23.4
251.05661	1.5
253.05130	1.3
255.06621	2.4
257.04434	11.8
258.05231	0.8
259.06024	7.8
259.08347	0.6
261.07748	1.4
261.52689	0.5
265.05173	0.6
267.06281	0.5
269.04529	4.9
269.07401	0.7
271.03058	1.2
271.06000	20.8
273.07526	6.7
273.09985	0.6
275.05505	13.3
275.08347	0.8
283.05997	8.2
285.07764	1.8
287.05496	23.3
289.07056	11.7
295.05960	0.6
297.07617	1.3
299.05661	3.7
299.08841	0.7
301.07043	11.8
303.05191	1.6
311.05667	1.0
315.08905	0.7
351.74612	0.6
379.08331	1.0
391.08072	2.8
393.10077	2.1
409.09183	22.5
410.09616	0.8
421.09113	2.7
427.10376	4.8
435.10849	1.2
439.10806	0.7
447.10577	0.6
543.13281	0.7
552.63171	0.5
555.12946	3.3
561.14886	0.6
579.15100	0.7
680.52368	0.7
725.37262	0.7
748.85760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	7.8
55.56822	3.0
56.89846	3.3
57.07068	17.9
67.05497	19.5
69.07060	8.1
69.25434	7.6
69.25848	31.8
70.44894	3.3
71.08619	7.0
72.08150	49.6
79.05486	12.7
81.03402	34.6
81.07048	20.4
83.08602	10.2
85.10166	7.6
91.05462	9.4
93.07038	11.7
95.04945	8.4
95.08591	15.7
97.10093	3.8
97.72225	3.4
105.07030	9.0
107.08598	4.8
109.10152	8.3
111.04478	3.2
119.08572	8.4
121.10133	6.7
131.08546	4.8
133.10150	5.7
157.10158	3.6
170.05785	30.1
175.11177	5.5
193.12216	4.0
505.38895	100.0
506.38800	4.4
724.45801	10.1
726.39197	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	724.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25880	0.7
55.01867	2.0
55.05504	8.2
57.03433	7.7
57.07085	1.1
59.87870	0.7
61.02914	1.5
66.92329	0.9
67.04951	0.9
67.05502	21.7
69.03416	2.4
69.07059	6.7
70.84409	2.4
71.05004	4.0
72.08152	1.0
73.02900	0.8
78.98843	0.7
79.05070	1.0
79.05495	13.8
81.03413	32.7
81.06572	1.8
81.07053	37.7
83.04971	6.7
83.08614	8.8
85.02895	3.0
85.06532	1.6
87.04517	0.8
91.04957	1.4
91.05479	16.1
93.07040	13.1
95.04956	11.5
95.08606	9.8
97.02869	2.2
97.06499	5.2
97.10162	1.5
99.08092	1.3
104.68748	0.9
105.07026	19.1
107.04942	3.7
107.08592	9.1
109.06504	3.2
109.10143	4.4
111.04448	2.0
111.08057	4.7
113.40162	0.7
117.07012	2.1
119.08579	15.1
121.10144	12.7
123.08067	2.4
123.11701	9.5
127.07540	1.0
129.06976	3.2
131.08519	4.3
133.06421	0.9
133.10117	5.1
135.11662	2.1
137.09596	1.3
137.13246	1.0
142.07825	1.3
145.10088	1.8
147.08055	1.7
147.11679	23.0
149.09590	2.5
149.13255	1.0
151.11058	1.5
157.10121	5.8
163.11183	2.3
165.12770	9.7
175.11188	5.2
181.12088	0.9
182.01331	0.9
183.13736	1.1
191.10655	1.3
193.12239	13.0
209.11693	4.2
211.13269	2.7
227.12766	2.6
229.14270	2.6
267.15900	100.0
268.16290	0.9
269.17569	4.3
283.15375	3.8
285.16956	38.0
301.16537	1.8
339.23517	0.9
403.24445	1.3
435.27274	1.2
451.27133	2.5
459.27319	7.4
477.28476	53.5
495.29440	5.1
509.30768	2.6
527.32111	0.8
528.78021	0.9
537.82288	0.9
584.78931	1.0
709.58185	1.1
725.32184	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01857	2.3
55.05256	1.0
55.05505	11.8
57.03435	11.9
65.03920	1.3
67.05170	1.2
67.05501	16.9
69.03417	4.1
69.07058	3.9
70.42718	2.9
71.04977	3.3
78.16334	0.7
79.05055	1.3
79.05492	18.0
81.03413	71.8
81.07054	17.6
83.04984	8.8
83.08614	18.2
85.02902	10.3
85.06546	1.4
91.05477	21.2
93.07037	12.0
95.04962	24.5
95.08599	7.2
97.02897	3.7
97.06517	2.7
97.10186	5.0
97.56937	0.7
105.07025	14.4
107.04952	7.1
107.08584	5.5
109.06490	4.2
109.10141	3.5
111.04417	2.0
111.08080	7.1
113.06001	1.4
115.05441	1.4
117.06993	1.0
119.04909	0.9
119.08573	13.9
121.06451	3.5
121.10116	6.5
123.08066	1.9
123.11711	1.3
125.09611	3.2
128.06203	0.7
129.07001	10.8
131.08554	10.3
133.06473	4.7
133.10126	6.3
135.08095	0.8
135.11703	1.0
137.09592	1.9
138.75436	0.7
141.07066	0.8
142.07735	2.4
143.08585	1.7
145.06451	4.8
145.10121	2.4
147.08032	3.9
147.11667	10.3
149.09627	6.7
155.08556	1.0
157.06480	1.2
157.10120	11.1
163.11205	1.2
165.12778	2.3
171.08020	0.9
173.09689	1.0
175.11189	11.9
185.13129	0.8
189.11240	1.7
193.12236	26.1
205.12234	1.2
211.13274	13.1
213.12756	1.1
223.11089	0.7
229.14313	0.8
237.12737	1.4
249.14728	2.2
255.13770	1.9
267.15897	100.0
268.16064	0.9
273.14813	2.9
275.56522	0.7
285.16962	15.2
286.34390	0.8
341.20935	1.1
349.21649	2.0
357.24359	1.1
367.22623	10.0
385.23724	11.4
403.24747	4.3
405.24255	1.0
415.24838	1.3
421.01086	0.7
423.25186	0.9
431.45624	0.7
433.25842	13.2
441.26273	6.4
459.27380	70.3
477.28473	42.9
491.30261	1.0
501.28769	0.7
519.29419	1.2
555.01514	0.7
675.69183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77615	2.1
52.52819	1.6
53.03941	6.5
55.01863	16.6
55.05507	29.9
57.03424	21.5
57.07072	4.3
57.29124	2.0
59.04999	2.8
61.02907	8.0
65.03928	3.5
67.05169	3.0
67.05502	46.8
69.03418	8.4
69.07071	12.7
71.01337	2.9
71.04984	6.7
71.59602	3.0
73.02898	7.3
75.25053	2.4
75.25519	1.8
79.05487	39.9
81.03414	33.0
81.07053	41.7
82.03750	2.3
82.04197	6.7
83.04980	18.3
83.08607	16.6
85.02888	8.8
85.06519	3.0
91.03938	2.9
91.05473	36.2
93.07040	28.0
95.04956	24.6
95.08598	17.7
95.75661	2.0
97.02888	12.3
97.06510	9.7
97.10152	20.5
98.07304	7.8
99.08076	2.9
105.07016	20.1
107.04945	11.8
107.08599	21.6
109.02847	2.8
109.06506	6.8
109.10145	14.3
111.04438	6.3
111.08083	6.4
111.37797	2.0
116.04697	16.4
117.05476	2.1
117.06994	8.0
119.04923	2.4
119.08566	14.6
121.06487	3.8
121.10134	9.2
121.94010	2.0
123.08045	10.3
123.11673	2.8
125.09590	24.8
128.06213	2.2
129.05473	38.1
129.06978	7.2
131.08530	11.7
133.10141	13.6
135.08017	2.5
135.11703	12.1
136.08815	2.3
137.05902	2.2
137.09573	4.9
143.07033	10.3
145.09172	2.0
145.10126	13.3
147.04387	2.3
147.11649	7.2
149.09578	5.7
149.13304	3.1
151.00720	2.2
153.12717	6.0
155.08513	2.3
157.08586	14.5
157.10074	5.8
161.09636	2.5
163.11180	16.9
165.12698	4.7
171.10197	6.0
173.09615	4.2
173.11713	6.0
175.11206	6.5
181.12300	4.9
189.11226	12.8
191.10677	6.2
193.12267	11.8
199.13281	9.2
200.14189	2.6
209.11671	13.8
210.12492	2.7
211.13297	6.0
227.12738	27.2
229.14323	8.8
255.15816	2.9
265.14398	2.7
267.15842	21.0
269.17404	3.6
283.15387	16.6
285.16977	6.2
301.16428	100.0
385.23593	3.3
451.26837	4.4
455.26364	6.6
459.27359	19.9
469.28000	2.5
475.27634	2.4
477.28311	21.7
493.27359	4.5
495.29416	6.4
509.27710	2.8
510.28110	4.4
527.28406	49.5
724.41534	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	723.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.4
54.84900	1.4
55.01875	2.4
55.05510	20.8
55.05757	3.0
57.03437	8.0
57.07036	2.0
65.03934	4.6
67.05499	68.7
69.03421	11.3
69.07065	15.4
71.04987	22.8
79.05482	34.5
80.05742	1.9
81.03417	23.4
81.07050	100.0
83.04971	21.8
83.08627	9.0
85.02887	3.3
85.06538	7.5
91.05468	32.6
93.07037	37.7
95.04956	6.9
95.08600	30.7
97.02897	5.3
97.06519	5.6
97.10137	2.5
99.04456	2.2
99.08102	2.6
105.07020	22.1
107.04930	2.6
107.08590	22.9
109.06500	3.1
109.10155	19.0
111.04441	5.4
111.08084	2.1
117.07014	9.2
119.08578	14.8
121.10117	17.3
123.08071	1.8
123.11690	11.9
127.03931	2.9
129.05455	9.6
129.06998	4.3
131.08553	13.2
133.10118	18.1
135.11717	9.6
143.08562	4.1
145.10083	8.1
147.08017	1.9
147.11694	10.3
149.13226	7.7
151.11131	7.9
155.08554	2.5
155.85522	2.2
157.10136	5.1
159.11679	10.5
161.13225	4.9
169.10173	2.9
169.12378	2.1
171.11693	3.1
173.04462	6.9
173.13261	4.4
175.14735	2.5
177.12680	3.8
178.47849	1.8
183.13843	3.5
185.13094	2.0
187.13319	13.5
187.14838	3.1
195.13800	2.5
199.14807	2.5
201.14828	2.9
211.14799	2.1
213.14874	1.7
225.14754	3.8
243.16002	6.5
257.17450	2.6
261.22195	6.9
269.17447	7.0
277.21539	2.1
299.18524	2.4
335.25714	17.4
351.23264	3.5
369.24503	4.1
413.21848	2.2
443.27487	2.2
445.23785	2.4
461.29187	3.0
503.37283	32.7
505.39005	19.4
517.38934	2.2
529.38763	7.2
561.41669	25.2
562.42236	2.1
673.42767	8.8
687.43866	2.5
691.44348	2.4
705.45428	6.6
723.45947	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	723.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01867	4.1
55.05507	23.2
57.03426	6.9
57.07059	3.2
65.03928	4.8
67.05499	75.9
68.31937	1.6
69.03426	17.1
69.07059	22.2
71.04993	22.4
71.08611	2.9
71.59691	1.6
71.60146	1.9
72.08127	1.7
79.05490	40.7
81.03421	22.7
81.07050	100.0
82.70585	1.8
83.04982	20.6
83.08598	10.8
85.02899	4.6
85.06516	6.3
91.05480	37.7
93.07036	42.1
95.04957	12.3
95.08606	38.4
97.02873	6.2
97.06545	8.5
97.10163	6.9
99.04430	2.6
105.07018	26.3
105.50072	1.8
107.00713	1.5
107.04935	4.9
107.08594	27.8
109.02876	4.6
109.06499	6.8
109.09459	2.3
109.10151	28.0
111.04420	4.4
111.08055	3.4
117.07029	9.8
117.07746	2.0
119.08544	17.7
121.06489	2.8
121.10123	17.1
123.08028	1.8
123.11710	13.6
125.09599	3.4
127.03899	2.4
129.05455	7.6
129.06963	4.3
131.08562	15.2
133.10124	29.8
135.08032	4.0
135.11681	12.9
141.06946	2.1
143.08537	4.0
145.10147	11.2
147.08080	2.3
147.11711	10.9
149.09624	1.9
149.13277	5.1
151.11180	9.3
153.09116	1.6
155.08502	1.8
157.10123	4.7
159.08022	3.6
159.11691	7.4
161.09550	2.8
161.13226	5.5
163.11185	2.6
165.12701	3.2
169.10059	3.9
169.12227	2.2
171.11697	2.8
173.04419	2.3
173.13290	4.1
177.12767	3.8
183.13759	2.6
185.13251	2.3
187.11278	2.0
187.13255	6.6
187.14772	1.8
193.12267	2.7
195.11815	2.9
195.13707	3.0
197.13356	2.5
225.14894	6.3
226.83292	1.8
227.12717	3.3
229.14178	2.3
243.15953	4.6
253.14331	16.8
257.17386	3.0
261.22015	3.0
267.15845	2.9
269.17517	10.6
271.15350	1.9
273.18503	5.9
275.20126	3.0
277.21652	3.2
291.19592	13.8
301.20303	2.3
311.16437	1.8
335.25824	8.6
369.24026	5.4
443.27789	1.9
503.37216	21.3
505.38824	28.3
517.38788	2.3
529.38861	6.4
543.33716	2.3
561.33649	2.8
561.35638	1.8
561.41589	11.6
613.40668	2.4
625.44421	7.7
673.42596	5.9
687.44574	2.0
723.43958	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	723.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01860	3.9
55.05263	1.9
55.05509	25.2
57.03444	8.3
57.07061	4.0
59.04973	2.4
61.71826	1.3
65.03937	3.4
67.05503	75.7
69.03426	9.8
69.07067	16.9
70.66211	5.0
71.04991	19.3
71.08616	2.3
72.08139	2.5
73.84768	1.4
74.92255	1.3
75.41950	1.2
79.05054	2.5
79.05489	40.8
81.03417	21.0
81.07055	100.0
83.04974	20.6
83.08601	9.7
83.33525	1.3
85.02890	3.4
85.06525	10.2
91.05477	33.7
91.32461	1.3
93.07037	39.7
93.21191	1.2
95.04977	7.9
95.08604	37.1
97.02884	5.0
97.06520	7.3
97.10155	3.6
99.04448	2.2
99.08084	2.5
101.50690	1.2
103.05483	1.6
105.07028	24.7
107.04912	3.2
107.08582	25.0
109.02852	3.4
109.06490	3.9
109.10146	18.3
111.04414	5.7
111.08040	2.7
112.33970	1.3
113.05988	1.6
117.07016	9.3
119.08561	14.7
121.06493	1.6
121.09295	2.0
121.10123	16.7
123.11694	11.6
127.03917	3.0
128.06241	2.1
129.05504	9.2
129.06976	5.6
131.08575	13.6
133.06494	1.9
133.10115	20.2
135.08037	2.6
135.11646	10.2
137.09637	1.7
141.06958	1.5
143.08612	2.5
145.06502	1.7
145.10068	6.9
147.07927	1.8
147.11678	8.6
149.09605	1.6
149.13268	7.9
151.11177	6.3
155.08556	2.7
157.10109	3.6
159.11687	10.8
161.09636	1.4
161.13229	5.1
163.11147	2.2
165.12686	2.1
169.10179	2.4
169.12218	2.0
171.11716	3.0
173.04443	5.4
173.13292	2.4
175.11162	2.6
177.12732	4.0
179.14247	2.7
183.11638	1.5
183.13708	3.4
185.13266	2.9
187.11659	1.4
187.13272	10.0
187.14806	2.2
195.13777	3.1
201.14755	2.3
203.90089	1.6
225.14923	2.6
229.14218	1.5
233.15134	1.5
243.15904	6.0
261.22150	5.2
263.09695	1.5
269.17514	10.0
275.20081	1.6
277.21671	1.8
285.16699	1.5
299.18640	1.7
335.22559	1.7
335.25851	18.2
351.22925	1.8
369.24271	4.0
413.21484	1.8
445.24225	3.6
458.60944	1.7
503.37280	31.7
505.38983	17.4
517.38538	2.1
529.38794	8.3
561.41614	22.4
625.44330	6.2
673.42712	4.6
691.43951	2.3
705.45239	5.6
723.46033	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	723.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01863	2.4
55.05509	4.5
57.03426	2.1
59.04992	0.6
61.02919	4.0
67.05499	16.4
69.03419	4.2
69.07072	3.8
69.07386	0.6
69.19175	0.6
70.13254	0.5
71.04990	2.0
71.50107	0.4
71.60129	0.6
73.02910	3.2
79.05491	8.1
81.03411	4.7
81.07050	13.1
81.07515	0.9
81.84700	0.5
83.04977	2.0
83.08611	2.7
85.02908	4.7
85.06519	1.5
91.03934	2.7
91.05475	7.3
93.07029	7.5
95.04966	3.7
95.08602	4.3
97.02886	4.5
97.06506	3.0
97.10172	1.3
99.04472	0.7
101.02397	1.5
103.03948	0.6
105.07028	5.6
107.04968	1.4
107.08584	4.9
109.02852	1.3
109.06535	1.3
109.10150	8.9
111.04401	0.7
117.07016	2.4
119.08572	5.5
121.06487	0.8
121.10139	2.8
123.08106	1.1
123.11702	1.0
125.09613	1.1
127.03928	1.5
131.08530	4.1
133.06439	0.7
133.10123	4.1
135.08105	1.3
135.11720	2.0
137.09602	0.9
139.11255	0.6
143.08592	1.1
145.05000	0.6
145.06496	0.7
145.10139	2.9
147.11719	1.9
149.09583	1.2
149.13242	1.7
157.10158	1.3
159.11705	2.6
161.09641	0.6
161.13278	1.3
163.11151	1.0
165.12749	0.8
171.11745	0.7
173.11771	2.1
173.13217	1.1
175.11288	0.8
177.12755	0.7
185.04161	0.7
185.13351	0.8
195.09918	0.7
195.11784	0.6
195.13835	0.8
211.13362	0.8
227.12823	1.4
229.14471	1.0
243.08362	2.0
245.77438	0.6
257.19067	1.2
267.15787	0.6
269.17468	3.0
270.68741	0.7
275.20062	4.5
277.21567	0.6
293.21167	0.8
333.20367	1.6
336.83710	0.5
342.91577	0.6
349.23798	2.4
413.17773	9.3
413.22903	0.7
431.22543	0.7
439.19507	0.6
447.31122	0.7
453.20804	0.7
517.35431	1.0
525.35669	1.0
529.35120	0.7
543.36450	4.9
551.28125	4.2
561.38165	3.5
625.31897	0.8
687.41333	0.7
705.41870	1.1
723.39191	100.0
724.39459	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	722.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01867	4.4
55.05510	13.6
57.03426	12.4
61.02926	1.9
65.03939	1.3
67.05164	1.7
67.05499	25.5
68.05805	1.6
69.03427	5.1
69.07068	9.6
70.92943	0.9
71.04983	4.2
71.42053	2.4
72.08148	1.0
73.02906	1.9
79.05058	2.0
79.05490	30.0
80.05785	1.5
81.03412	62.7
81.07053	27.7
82.03718	1.5
82.07367	2.5
83.04975	10.0
83.08146	1.1
83.08617	18.7
85.02892	7.4
85.06529	2.2
91.03962	1.0
91.05474	21.4
93.07034	34.9
93.61460	0.9
95.04960	23.8
95.08603	28.7
97.02900	7.3
97.06512	4.4
97.10160	3.4
99.04465	3.1
103.05441	1.0
105.07025	17.8
106.07353	1.0
107.04945	11.0
107.08588	22.0
109.02864	1.8
109.06503	5.5
109.10160	5.0
111.04424	5.9
111.08073	6.4
112.60212	1.1
115.05441	1.2
117.07005	11.2
119.04971	1.3
119.08575	14.9
120.08913	1.3
121.06504	5.6
121.10137	13.6
122.10426	1.7
123.04417	1.5
123.08078	2.5
125.06010	2.2
125.09607	3.0
128.06223	1.1
129.05452	1.0
129.06985	7.6
130.07588	1.0
131.08554	8.9
132.08893	1.0
133.06493	2.7
133.10141	8.7
135.08040	2.2
135.10674	1.8
135.11684	33.9
135.12700	1.9
137.06046	1.1
137.09589	1.3
139.07497	1.4
143.08553	1.5
145.06482	1.0
145.10104	21.1
147.08044	3.7
147.11664	8.6
149.09601	5.5
151.11145	0.9
153.12714	2.3
155.08452	1.2
157.10091	7.8
159.11711	1.2
163.11168	46.5
163.12529	2.5
165.12801	2.2
170.91805	1.0
173.09576	1.4
175.11192	7.1
176.11621	1.3
177.12862	1.3
181.12238	9.4
191.10669	1.5
193.12231	19.7
194.12657	1.4
197.46317	0.9
205.12187	1.2
209.11684	3.3
211.13223	7.6
212.13571	1.5
223.13275	1.9
227.10497	2.1
227.12766	44.4
227.88893	1.0
229.14389	1.3
241.14287	1.9
249.14882	2.4
267.15894	93.4
268.16293	2.4
275.20068	4.3
276.20328	2.6
283.15381	58.7
284.15866	1.4
285.16943	5.3
286.17218	1.2
301.16638	1.1
315.18015	2.6
349.23529	1.6
350.23737	1.2
350.64984	1.0
378.56375	1.0
383.22006	1.2
430.21646	1.2
439.26196	1.1
457.25769	2.5
461.29279	1.3
475.26898	100.0
476.27124	3.0
493.27954	5.7
507.29388	3.8
525.30579	5.9
542.35382	3.3
560.36371	3.6
704.41632	1.3
722.41937	2.7
739.27734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.0
55.01865	6.4
55.05513	27.0
57.03433	13.4
65.03938	7.1
66.67589	5.4
67.05501	87.5
69.07069	17.5
69.34196	51.8
72.08146	9.0
79.05493	95.9
81.03418	16.1
81.07050	71.1
83.04973	16.8
83.08612	14.5
91.05486	67.8
93.07036	84.7
93.66570	5.0
95.04991	29.1
95.08603	44.9
97.06515	11.3
97.10171	7.7
99.76328	5.9
100.64455	5.8
105.07028	52.9
107.04954	6.3
107.08590	35.6
109.06512	9.0
109.10154	19.1
111.08102	6.3
112.88929	4.4
117.07026	17.8
119.08578	28.4
121.10134	17.6
125.09712	5.9
129.06989	20.5
131.08565	13.1
133.10109	14.2
135.11658	11.9
143.08542	9.7
145.10126	16.3
147.11684	34.5
149.13246	6.5
159.11667	7.3
161.09554	5.5
161.13260	14.7
171.11674	32.9
189.12793	9.8
207.12062	5.6
207.13782	30.9
261.22067	11.0
270.98700	5.3
281.17477	83.8
317.24643	4.9
335.25784	51.3
359.57010	5.2
507.02530	5.6
541.38965	100.0
574.38409	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	721.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.1
54.56957	2.1
55.05503	18.5
57.03419	8.3
57.07064	2.7
65.03917	2.6
67.05499	67.6
69.03387	2.8
69.07058	14.7
72.08149	2.6
79.05058	3.6
79.05489	66.6
81.02967	2.1
81.03399	7.5
81.07048	57.8
83.04960	8.9
83.08611	10.2
85.06534	4.6
86.59802	1.9
91.05470	50.4
93.07034	70.6
95.04951	16.4
95.08591	37.6
97.06504	4.8
97.10147	5.7
98.21520	4.8
98.83662	2.1
99.08127	3.4
105.07015	29.9
107.08579	25.7
109.06532	5.3
109.10146	9.5
117.07024	8.2
119.08569	22.8
121.10135	18.5
121.22931	2.0
123.08070	6.3
123.11666	2.5
129.06984	11.3
131.08517	9.0
133.10117	11.2
135.08072	2.4
135.11702	7.0
143.08559	8.3
145.10138	10.9
147.08020	2.6
147.11679	22.8
149.13242	4.2
159.11732	3.9
161.09648	3.5
161.13231	9.1
164.32761	1.9
171.11664	15.1
173.13251	2.3
189.12656	3.0
198.10982	2.6
207.13762	17.9
233.22581	2.1
261.22174	4.8
279.15924	2.5
281.17456	39.6
317.24710	3.1
335.25739	60.5
374.15921	2.1
395.23663	2.7
449.22510	2.5
466.13013	2.5
476.21533	4.4
477.21991	6.3
536.23706	3.9
537.23737	7.0
541.38849	100.0
542.38977	7.0
552.42938	3.0
563.25726	4.3
622.27869	3.2
623.27740	14.5
624.28290	34.7
625.28876	2.9
721.34448	2.1
721.49707	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	721.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.01856	4.5
55.05513	20.2
57.03427	10.8
57.07071	3.4
57.79617	2.1
65.03921	3.0
66.13377	2.4
66.50402	2.0
67.05166	3.9
67.05502	60.6
69.03414	3.6
69.07039	13.0
71.04967	4.5
72.08129	2.2
79.05054	4.3
79.05490	64.0
79.64510	2.1
81.03403	9.8
81.07059	54.8
83.04961	9.6
83.08600	5.8
85.02898	3.0
85.06539	3.3
91.05479	43.7
93.07040	60.3
94.07368	2.5
95.04962	15.8
95.08595	41.8
97.02865	2.9
97.06520	6.2
105.07021	31.1
107.04931	3.3
107.08601	19.8
109.06505	5.6
109.10155	10.3
111.04375	2.6
111.08108	2.1
115.79694	2.2
117.06997	7.5
119.08559	21.3
121.10168	15.5
123.08163	2.6
123.11713	3.4
128.06258	2.9
128.22574	2.3
129.06990	9.4
131.08528	10.6
133.10135	13.7
135.11679	8.6
143.08525	5.4
145.10141	7.8
147.11662	20.0
149.13257	5.0
151.91280	2.3
157.10097	3.1
159.11681	4.7
161.09683	2.7
161.13261	10.9
171.11656	13.8
173.13216	2.4
189.12683	6.0
207.13814	16.3
222.26567	2.4
243.21275	2.8
261.22055	2.4
281.17468	31.6
335.21918	4.6
335.25760	51.4
352.58832	2.5
402.92899	2.3
541.38916	100.0
542.38873	3.7
580.68689	2.6
630.64410	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	721.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.9
55.01870	5.5
55.05507	23.0
57.03441	9.8
57.07070	4.9
61.02939	4.1
65.03919	3.0
67.05502	79.0
69.03426	15.5
69.07063	24.4
71.04991	32.2
73.02907	2.2
79.05057	3.3
79.05495	54.9
81.03414	34.1
81.07056	100.0
83.04972	10.7
83.08617	13.1
85.02905	9.4
85.06538	11.5
87.04489	2.3
91.05479	56.4
93.07040	54.5
95.04977	10.7
95.08603	36.8
97.02872	11.9
97.06516	10.9
97.10173	4.4
98.20722	6.0
99.04458	3.1
99.08125	2.1
105.07030	43.1
107.04975	3.1
107.08591	30.8
109.02850	5.9
109.06519	5.7
109.10160	15.3
111.04441	3.0
111.08063	3.1
115.05397	1.8
117.07013	19.7
119.08585	33.0
121.06466	3.5
121.10141	20.3
123.08073	3.0
123.11716	13.7
125.09652	2.1
127.03876	4.4
128.06207	3.7
129.05511	4.2
129.07004	14.6
131.08549	28.0
133.10121	30.5
135.08017	4.6
135.11661	18.9
137.09627	2.9
141.06989	6.8
142.07762	3.5
143.08517	15.7
144.09258	2.2
145.10109	22.1
147.08054	3.5
147.11694	19.7
149.09610	4.8
149.13252	10.2
151.11177	5.8
152.03168	1.7
154.07803	2.7
155.08551	11.3
157.10118	16.6
159.11700	20.9
161.13225	10.6
163.14879	2.3
165.12790	3.9
167.08598	3.4
169.10136	8.2
169.12262	2.0
171.11714	16.1
173.04471	15.2
173.13261	16.5
175.11186	5.4
175.14841	5.4
177.12726	3.8
179.14432	2.1
181.10112	5.0
183.11696	10.2
183.13823	1.9
185.09624	1.8
185.13272	10.8
186.99516	1.8
187.05800	1.8
187.13280	6.3
187.14803	3.7
189.12697	1.9
193.10196	2.1
193.12190	6.3
195.11719	4.9
195.13817	3.0
197.13258	7.5
197.15262	1.8
199.11241	2.4
199.14751	3.4
201.14827	2.7
207.11757	4.2
209.13245	4.1
211.14833	4.2
213.12753	1.9
213.14766	2.1
225.14772	3.7
227.16354	3.5
241.19530	6.6
243.15979	8.5
243.21149	5.5
257.19318	2.5
259.20746	12.8
261.22153	8.1
267.15897	3.2
269.17215	2.4
271.20639	2.1
273.18613	2.4
275.19977	4.3
299.18524	2.4
301.20187	3.3
315.23160	2.0
317.24713	3.8
333.24185	7.4
335.25992	3.1
349.21524	2.2
351.23001	3.4
367.22583	4.3
369.24338	4.0
411.32626	4.2
413.21606	3.3
435.32483	4.0
459.27307	2.2
485.36243	3.1
501.35913	22.8
503.37265	64.8
504.37601	2.7
509.36197	3.1
527.37311	42.1
528.37433	2.1
533.38385	4.0
539.37042	1.8
543.35309	1.9
559.39404	6.9
570.33246	1.9
587.88007	1.9
626.55243	2.2
653.40509	4.7
667.41644	5.0
671.41101	7.0
689.42816	11.3
703.42456	3.7
721.44580	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	721.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67686	1.2
53.03937	7.4
55.01871	13.1
55.05259	1.9
55.05510	28.3
57.03433	12.5
57.07061	4.4
59.05007	1.8
61.02913	4.5
65.03929	3.9
65.71195	1.2
67.05502	77.6
69.03426	12.2
69.07066	24.2
71.01324	1.6
71.04992	25.6
72.08118	1.9
73.02911	2.5
77.03939	1.6
78.33041	1.1
79.05490	58.7
80.61217	1.2
81.03417	43.7
81.07054	100.0
82.07377	2.0
83.04981	15.3
83.08611	15.3
85.02916	7.0
85.06552	9.3
91.05474	55.9
92.05802	2.1
93.07039	57.6
95.04960	14.1
95.08604	35.9
97.02882	12.6
97.06530	18.5
97.10155	8.1
98.20796	3.5
99.04442	5.7
99.08083	2.5
103.05477	1.4
105.07027	55.5
106.07299	1.5
107.04967	8.4
107.08589	36.6
109.02869	7.8
109.06507	7.9
109.10149	15.4
111.04419	5.8
111.08067	6.3
113.06057	2.1
115.01135	1.2
115.05437	3.4
117.07019	17.3
119.04953	1.2
119.08576	39.5
121.06489	3.7
121.10132	22.5
123.04379	2.4
123.08049	5.1
123.11703	12.6
125.06005	1.6
125.09614	3.5
127.03906	6.5
128.06238	3.2
129.05460	4.2
129.06990	13.0
130.07764	1.9
131.08565	35.2
132.08891	1.7
133.06491	2.9
133.10123	36.2
135.08025	5.0
135.11688	15.8
137.09589	3.3
137.13225	1.5
139.11197	2.5
141.06961	5.5
142.07721	3.0
143.08574	13.8
145.06450	2.7
145.10123	20.7
147.08101	2.5
147.11679	24.6
149.09601	9.1
149.13272	12.4
151.11168	6.7
151.21649	1.4
153.07013	1.9
153.12766	2.8
154.07825	1.2
155.07169	1.5
155.08534	5.9
157.06500	2.2
157.10138	12.9
158.10541	1.7
159.08032	3.3
159.11685	20.6
159.47769	1.2
161.09653	3.1
161.13261	12.0
163.11172	5.6
163.14790	3.3
165.07024	2.7
165.12764	2.7
167.08548	1.6
169.10130	6.0
169.12262	2.1
171.11681	8.8
173.04449	12.2
173.09613	2.0
173.11972	1.7
173.13269	9.9
175.11195	5.7
175.14818	4.7
177.12671	3.5
179.08490	1.7
179.14276	1.5
181.10136	3.4
183.11650	5.2
185.09650	1.4
185.13312	7.7
187.11551	1.5
187.13306	4.7
187.14810	3.9
189.12761	2.3
193.10156	1.5
193.12225	8.8
195.11734	3.7
195.13751	2.8
197.13228	3.2
199.14839	3.8
201.12704	2.6
201.14684	1.6
205.10210	1.9
207.59624	1.3
209.13284	3.1
209.15335	1.9
211.11427	1.8
211.13261	6.1
211.14987	3.0
213.12817	1.5
213.16402	2.1
221.13260	1.4
221.15279	1.6
223.14865	1.5
225.14781	2.7
227.12758	3.3
227.16455	3.8
229.14366	2.5
229.19489	2.3
231.20857	1.4
239.18057	1.9
241.19635	6.3
243.15906	5.8
243.21059	2.6
247.20560	1.4
255.21246	1.5
257.19012	4.6
259.20758	10.9
261.22079	5.9
267.15860	12.1
269.17471	4.5
273.18546	1.9
275.20074	27.3
276.20398	2.3
285.16888	2.5
286.44986	1.4
291.19510	3.7
293.20935	1.6
301.20050	1.4
313.21442	1.8
315.23111	3.6
317.24741	4.4
325.21521	1.5
333.24442	6.1
335.25699	3.7
337.89963	1.4
339.18069	1.8
349.23822	11.9
351.23264	1.8
367.22510	1.9
385.23517	2.9
393.31369	3.6
409.30878	1.6
411.20450	1.9
411.32449	3.7
413.21762	1.7
429.20981	3.5
445.24323	2.7
483.34341	1.7
485.36285	4.9
501.35773	18.8
503.37283	72.3
504.37686	1.6
517.38593	1.6
519.78973	1.5
527.37280	17.4
528.37347	2.3
533.38397	2.5
541.35223	21.1
545.38269	4.1
559.35596	8.7
579.37158	1.7
629.39374	1.7
667.42004	1.9
671.41412	2.2
685.41199	3.3
689.42230	6.7
703.40582	7.8
721.36755	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	721.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91952	2.0
53.03945	13.7
54.64470	2.2
55.01865	14.4
55.05512	50.2
57.03434	13.1
57.07063	2.8
61.02911	4.0
61.59505	2.4
65.03941	4.2
67.05502	76.7
69.03433	30.0
69.07063	34.0
71.04990	10.2
73.02918	3.2
79.05053	4.6
79.05489	66.1
79.05959	3.3
81.03419	64.8
81.03903	4.0
81.07054	100.0
83.04978	31.2
83.08618	25.4
85.02894	15.3
85.06534	5.7
91.05476	55.2
93.07040	65.9
95.04968	25.1
95.08600	37.1
97.02878	22.2
97.06504	14.6
97.10160	24.8
98.21588	5.1
99.04463	9.4
99.08080	3.4
105.07027	44.6
107.04964	19.3
107.08588	45.8
109.02871	15.1
109.06527	12.4
109.10159	20.7
111.04435	11.2
111.08070	9.6
115.05460	4.6
117.07008	25.9
119.04917	2.3
119.08568	32.4
121.06516	11.1
121.10117	22.5
123.04483	5.2
123.08027	11.0
123.11721	6.8
125.06091	2.2
125.09640	19.3
127.03922	14.8
128.06201	3.4
129.05496	6.7
129.07004	14.5
131.08560	27.3
133.06479	8.6
133.10130	26.5
135.08060	14.2
135.11661	12.1
137.09636	7.8
141.06990	4.3
143.08521	11.9
145.06502	4.0
145.10104	16.2
147.08058	12.2
147.11670	18.1
149.09637	9.4
149.13249	14.7
151.11140	6.7
153.09067	2.6
155.08556	6.5
157.10075	10.7
159.08124	4.2
159.11690	14.7
161.09639	9.4
161.13239	4.6
163.11183	5.5
165.09103	2.6
165.12770	4.3
167.08459	2.2
169.10147	6.7
171.08130	3.1
171.11700	7.5
173.04442	15.2
173.09602	4.3
173.13235	3.4
175.11191	6.6
177.12738	9.7
181.10110	3.2
181.12410	2.8
185.13274	5.3
187.11105	3.7
189.11238	16.6
189.12701	3.8
191.10536	3.0
191.14235	3.2
193.12260	7.9
195.11792	3.1
195.13855	7.3
201.12805	2.9
203.14423	3.3
205.12347	4.2
211.13297	9.1
213.12759	3.8
223.13318	9.9
227.12721	18.7
233.15375	3.2
245.19031	6.1
249.14784	3.5
253.14366	5.2
255.17557	3.4
257.15027	2.4
261.14859	4.0
267.15958	6.9
269.17493	19.1
273.18515	26.1
275.20187	13.7
283.15451	2.9
285.16971	3.3
291.19519	84.1
309.20578	4.0
313.21701	2.6
339.18109	2.7
347.22174	7.2
349.23746	7.3
365.23322	23.1
367.92172	2.7
413.21689	12.9
447.27481	3.2
449.30060	5.6
461.29245	2.8
467.31635	5.2
467.42026	2.4
485.32715	5.0
509.26358	2.7
513.35687	2.8
523.34290	3.7
541.35254	27.2
559.36267	65.3
591.31122	2.3
609.32452	6.1
616.83051	2.6
623.33417	2.7
685.39307	6.1
703.40527	32.0
704.39618	3.4
721.41113	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	721.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.3
55.01861	17.5
55.05507	41.1
55.99432	2.0
57.03426	19.2
61.02908	2.5
63.43562	1.9
65.03925	4.3
67.05499	62.9
69.03428	22.5
69.07063	27.4
69.28163	4.7
69.28574	19.6
71.01334	2.5
71.04994	11.8
73.02917	2.7
79.05487	63.2
81.03410	100.0
81.07050	76.6
83.04969	22.9
83.08620	28.2
85.02900	21.2
85.06539	4.0
87.04510	2.0
91.05477	64.3
93.07035	48.9
95.04967	32.1
95.08044	3.1
95.08603	35.4
97.02899	23.5
97.06529	20.6
97.10159	14.0
98.20766	3.1
99.04438	9.2
99.08067	2.5
105.07020	63.1
107.04950	23.2
107.08579	36.3
109.02879	15.6
109.06523	13.3
109.10152	17.5
111.04440	9.3
111.08070	10.4
113.05978	2.9
115.05464	3.9
117.06996	18.3
119.04963	3.8
119.08577	47.2
121.06500	9.3
121.10133	25.1
123.04396	3.2
123.08041	8.5
123.11703	5.2
125.09647	10.0
127.03926	10.4
128.06226	6.4
129.05522	4.1
129.06995	19.9
131.08562	32.6
133.06480	9.4
133.10118	29.3
135.08072	11.4
135.11693	10.2
137.09608	6.2
141.06981	4.3
142.07787	3.8
143.08603	10.9
145.04939	2.8
145.06448	4.3
145.10114	25.1
147.08047	9.4
147.11688	24.7
149.09590	20.0
149.13226	4.3
151.11214	3.7
153.07053	2.5
153.09129	2.0
153.12755	2.3
155.08525	8.0
157.10123	15.9
159.11702	13.8
161.09625	3.7
161.13287	4.0
163.11147	11.0
165.12750	5.8
169.10123	5.8
171.11688	9.3
173.04445	14.2
173.09599	4.7
173.11804	4.1
173.13264	8.2
175.11121	13.6
177.12733	6.4
181.10162	2.4
181.12225	4.1
183.11725	6.5
185.13240	4.6
187.11137	6.1
189.11209	8.9
189.12730	3.9
191.10678	3.1
193.12236	31.8
195.11668	2.8
195.13866	3.3
197.13249	5.2
201.12790	4.4
209.13364	2.6
211.13246	36.1
211.14996	2.3
213.12610	2.9
217.15822	2.2
227.12703	11.9
229.14334	7.4
229.19475	4.1
239.17831	4.1
247.20578	6.6
257.19101	10.2
267.15884	21.7
275.20050	66.8
285.16876	16.7
291.19473	4.9
293.21121	6.8
299.19977	4.2
313.21698	2.8
315.22821	2.9
317.21106	2.6
331.22897	3.9
341.21344	2.7
349.23639	26.8
367.24960	2.9
399.19925	2.2
411.20258	2.9
429.20929	9.3
433.25742	3.8
435.27112	2.5
437.25165	2.2
467.31302	2.9
485.32504	4.0
513.35742	3.8
523.34235	6.9
541.35205	43.2
543.36841	3.3
559.36298	37.9
623.34021	4.4
685.39209	3.9
688.61658	2.4
703.40417	15.6
721.41663	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	721.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.8
55.01866	14.7
55.05509	40.0
57.03440	17.4
57.07071	2.1
58.33642	2.0
59.17585	1.9
61.02908	7.1
65.03931	4.7
67.05500	78.9
69.03422	29.5
69.07062	28.4
69.67732	9.1
69.68131	3.7
71.04999	13.0
73.02905	3.4
77.03899	2.4
79.05484	63.6
81.03410	100.0
81.07050	94.9
82.07362	2.2
83.04971	26.7
83.08617	26.5
85.02892	21.2
85.06547	6.8
91.03954	3.4
91.05470	67.9
93.07034	56.0
95.04959	38.6
95.08602	42.7
96.53752	1.9
97.02885	24.0
97.06519	16.8
97.10153	19.7
99.04448	11.0
99.08089	6.6
103.05470	2.3
105.07022	55.5
107.04948	17.2
107.08582	36.0
107.38996	1.7
109.02827	10.8
109.06504	19.1
109.10141	25.0
111.04442	8.9
111.08054	10.0
113.06008	4.8
115.05469	3.5
117.07013	23.0
119.07775	4.0
119.08575	48.0
121.06516	12.3
121.10118	18.9
123.04446	4.3
123.08057	13.7
123.11691	7.3
125.09631	13.4
127.03902	13.0
128.06235	4.9
129.05504	3.4
129.06992	18.6
131.04915	3.7
131.08556	35.6
133.06487	10.2
133.10114	33.7
133.11052	2.8
135.08011	13.6
135.11636	9.6
137.05975	3.0
137.09607	7.2
141.06984	4.6
142.07803	4.8
143.08559	14.7
145.06497	6.5
145.10091	28.2
147.08047	7.4
147.11676	26.9
149.09630	13.2
149.13280	7.4
151.11169	3.7
153.09084	2.6
155.08571	8.3
157.10091	19.6
157.57352	1.9
159.08070	6.5
159.11679	17.5
161.09602	8.3
161.13278	4.2
163.11127	10.3
165.09123	4.0
165.12726	5.4
169.10139	5.3
171.11705	11.7
173.04437	26.5
173.09618	6.7
173.11880	2.7
173.13309	5.9
175.11151	12.9
177.12671	2.5
181.10139	4.1
181.12187	2.4
183.11678	6.6
185.09555	2.6
185.13232	6.4
187.11246	4.2
189.11122	10.1
191.10588	2.3
193.12210	20.6
195.11737	3.9
195.13823	5.7
197.13165	3.2
199.14836	2.5
205.12309	3.1
211.13222	25.0
211.14909	3.2
219.13756	2.5
227.12665	13.0
229.14264	2.3
239.18181	2.9
247.16942	2.4
247.20607	4.2
257.19037	7.7
259.20621	2.9
267.15863	18.6
269.17435	8.9
273.18494	7.4
275.20047	36.2
283.15594	2.4
285.16843	12.3
291.19449	11.8
293.21109	3.7
299.20157	5.4
300.25171	2.1
301.14236	2.8
303.16208	2.3
313.21701	3.0
317.20984	4.4
331.22800	2.3
349.23718	17.0
363.15817	2.0
365.23285	3.6
373.24268	2.6
391.24738	2.5
413.21747	2.3
435.27698	2.6
447.26932	3.2
449.30490	4.1
461.28973	6.3
467.31433	4.7
485.32657	3.7
523.34338	3.7
541.35248	37.5
542.35706	2.4
559.36163	39.0
577.37299	4.0
601.37811	2.2
623.33990	5.5
667.37933	3.2
685.38995	3.3
703.40259	11.9
721.41132	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
55.01873	1.9
55.05513	12.5
57.03226	1.2
57.03438	13.1
57.07073	28.5
61.02919	3.5
67.05170	1.6
67.05504	23.5
69.03428	1.7
69.07059	9.2
69.30650	14.9
71.04980	5.0
71.08629	17.2
72.08150	1.8
79.05489	14.2
81.02927	2.0
81.03413	40.1
81.07057	27.1
83.04982	9.4
83.08611	19.8
85.02905	19.2
85.06554	1.6
85.10183	12.4
87.04443	1.4
91.04007	1.6
91.05477	20.9
93.07055	12.6
95.04973	16.6
95.08602	17.6
97.02882	5.3
97.06541	2.8
97.10162	4.6
105.07028	15.7
107.04924	5.8
107.08588	4.1
109.06486	3.3
109.10132	8.2
111.08076	6.6
119.08572	9.6
121.10119	6.0
123.08008	2.0
123.11697	4.2
129.06982	7.4
131.08586	7.7
132.54594	1.4
133.10120	9.9
145.10056	2.3
147.08011	2.3
147.11696	10.7
149.09628	3.8
157.10098	9.8
169.49963	1.5
175.11147	8.5
193.10606	2.7
193.12236	33.6
204.59291	1.5
211.11288	3.1
211.13292	51.4
239.23660	3.1
244.22807	1.6
257.24661	1.6
266.68680	1.5
267.15912	17.2
285.16949	67.5
313.27356	73.2
314.27560	2.6
391.05035	1.4
505.38858	14.4
523.39899	100.0
524.39984	3.6
537.07507	1.5
541.38934	1.8
700.41357	1.4
720.46222	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	720.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.1
55.01860	1.8
55.05286	0.7
55.05508	6.3
57.03435	5.0
65.03920	1.0
67.05500	18.4
67.06731	0.6
69.03428	1.3
69.07051	3.8
70.14270	2.8
71.04989	1.0
79.05483	25.4
81.03408	32.2
81.07047	17.1
83.04968	5.9
83.08611	9.2
85.02895	0.8
85.06541	0.9
87.08126	0.6
91.05472	22.1
93.06466	1.2
93.07037	23.6
94.75652	0.6
95.04956	14.6
95.08605	7.9
97.02877	2.0
97.06510	1.5
97.10169	2.3
105.07016	17.0
107.04926	3.8
107.08584	6.2
109.06481	3.4
109.10152	2.2
111.04410	1.2
111.08080	3.7
114.85009	0.6
115.05450	1.1
117.07008	2.8
119.08568	12.3
120.57541	0.6
121.06494	2.2
121.09389	0.6
121.10138	3.4
123.08054	2.4
124.24230	0.7
127.07616	0.9
128.06250	0.9
129.06996	10.8
131.08534	3.9
133.06496	1.4
133.10118	4.7
135.11682	0.8
137.09534	0.8
142.07751	0.8
143.08597	3.1
145.10095	4.2
147.08040	3.0
147.11668	14.9
149.09616	1.6
157.10127	3.8
159.11620	0.8
161.09628	2.4
161.13268	4.4
163.11197	0.8
165.12703	0.8
171.11659	9.1
175.11143	4.4
187.62073	0.7
189.12692	3.1
193.12236	8.7
207.13791	10.5
208.54501	0.6
211.13234	0.6
212.39320	0.6
225.14725	0.9
249.14810	1.4
267.15887	33.0
268.16452	0.8
281.17453	38.4
422.06335	0.7
441.19916	0.6
447.26923	0.9
455.27957	0.9
473.28946	100.0
474.29214	3.0
491.30011	2.2
515.30029	1.6
543.36340	0.7
581.31281	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18276	1.7
53.03933	5.5
55.01861	8.1
55.05510	23.0
57.03423	8.2
61.02922	14.1
65.03935	4.1
67.05167	3.3
67.05500	50.4
69.03423	8.4
69.07066	18.8
70.85499	5.4
71.04981	7.5
73.02910	4.6
77.03913	1.8
79.05489	50.5
81.03407	13.1
81.07051	51.6
81.93543	1.9
83.04973	8.4
83.08614	7.7
85.02899	12.4
85.06551	3.8
91.03940	4.3
91.05476	57.0
93.07035	48.4
95.04961	13.7
95.08607	30.6
97.02873	9.3
97.06516	7.8
97.10197	4.5
105.07021	53.0
107.04958	7.1
107.08594	20.6
109.06516	4.8
109.10164	11.6
111.08102	3.2
115.05437	3.3
117.07020	16.5
119.08575	40.5
121.10143	12.5
122.36659	2.0
123.08080	4.2
123.11697	3.4
125.09612	2.9
127.03919	2.3
128.06229	4.0
129.06981	18.1
131.08572	26.9
133.06419	2.0
133.10120	25.3
135.08012	3.0
135.11700	9.3
141.06998	5.0
142.07785	4.3
143.08543	18.3
145.06474	2.3
145.10117	23.8
147.11681	28.7
149.13261	5.4
155.08563	10.6
156.09459	1.8
157.10117	17.7
159.11690	20.4
161.13251	16.9
166.07733	2.5
167.08578	7.5
168.09294	2.6
169.10132	16.1
171.11693	26.0
173.11983	2.0
173.13223	13.3
175.11214	2.4
175.14848	4.9
179.14305	2.8
181.10103	8.4
183.11732	14.3
185.13239	12.1
187.14819	4.5
189.12717	3.8
193.10107	4.0
195.11792	9.1
195.13339	2.1
197.13260	10.5
199.14862	6.6
206.93736	1.9
207.11737	4.0
207.13835	9.0
209.13260	8.1
211.14749	4.6
213.16330	3.6
221.13161	2.7
223.14807	6.9
225.16330	2.0
235.14742	3.2
237.16386	3.0
239.14211	2.0
239.17920	3.4
241.19507	11.3
257.19089	2.4
259.20566	19.5
275.20117	16.5
279.15945	7.3
281.17389	20.9
285.22037	2.5
295.20532	2.3
301.07739	1.9
307.20258	1.8
309.22116	2.3
311.23715	2.3
315.23026	2.8
323.23615	5.7
333.24213	13.8
334.24524	2.0
335.23517	4.0
349.24460	2.8
419.33206	4.1
429.31613	5.2
437.34061	8.2
447.32349	13.1
465.33585	15.2
483.34732	8.7
511.37836	3.8
521.36414	8.7
529.38855	9.1
539.37335	100.0
540.37384	5.9
557.38373	63.4
558.38849	2.4
683.40857	2.8
701.42297	13.2
719.42615	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	719.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	16.4
55.01878	17.3
55.05506	54.0
55.76189	2.1
56.96554	4.3
57.03439	17.9
57.07081	3.1
58.21758	1.9
59.05005	3.6
61.02924	5.2
65.03942	10.9
67.05504	94.3
68.05830	3.8
69.03425	33.8
69.07062	36.9
71.01347	3.3
71.04992	16.6
73.02917	6.2
76.01067	2.2
79.05492	75.7
81.03413	100.0
81.07053	91.2
82.03738	2.9
82.07407	4.4
83.04987	28.9
83.08611	34.1
85.02899	23.6
85.06550	7.0
89.06023	2.6
91.05473	81.1
93.07039	57.7
93.07620	3.7
94.07336	3.2
95.01317	2.7
95.04963	41.7
95.05547	3.7
95.08603	40.8
97.02884	29.4
97.06541	13.9
97.10166	22.2
98.20797	5.5
99.04446	11.3
99.08093	2.7
103.05481	6.4
105.04535	2.7
105.07025	61.4
107.04944	22.9
107.08591	40.3
108.08926	2.6
109.02879	22.6
109.06493	13.6
109.10164	33.3
110.10502	4.0
111.04433	14.3
111.08086	11.8
113.06013	2.4
115.05450	5.3
117.07007	24.0
119.04926	3.9
119.08569	37.6
121.06499	13.3
121.10134	26.4
123.04449	5.6
123.08038	10.9
123.11729	4.9
125.09601	16.5
127.03920	14.4
128.06226	6.1
129.06995	17.4
131.04921	3.6
131.08545	32.4
133.06477	11.5
133.10120	27.0
135.08061	11.2
135.11713	10.5
137.09630	5.9
141.07001	6.1
142.07800	3.6
143.08548	11.4
145.06490	7.1
145.10126	22.9
147.08052	13.1
147.11691	18.4
149.05971	3.8
149.09663	12.8
149.13289	9.1
151.11243	6.4
153.09142	3.7
153.12700	2.7
155.08583	7.3
157.10123	16.3
159.08057	5.9
159.11681	16.1
161.09657	8.4
161.13245	4.7
163.11188	13.6
165.09151	2.7
165.12756	4.0
169.10165	9.1
171.08028	3.8
171.10257	3.1
171.11720	8.0
173.04485	12.0
173.09657	5.3
173.11697	4.0
173.13286	4.6
175.07628	2.7
175.11206	9.5
177.09177	2.7
177.12759	4.3
179.49530	1.9
181.10054	3.3
181.12294	3.8
183.11717	6.7
185.09625	2.6
185.13293	4.0
187.11226	4.2
189.09674	2.2
189.11234	13.7
189.12769	5.0
191.10660	6.4
193.12277	25.3
195.13812	3.2
197.13295	4.0
203.10841	2.6
205.12227	4.5
207.13840	3.4
211.13258	32.6
219.13881	4.5
223.13341	7.1
227.12769	19.8
229.12425	2.8
229.14406	8.6
230.14717	3.2
247.91978	2.4
255.17516	2.4
257.19156	2.4
263.20065	2.8
267.09171	3.8
267.15826	12.4
269.10703	7.5
269.17700	3.5
273.18457	23.1
275.20038	18.0
276.20599	2.5
283.15530	4.0
285.10205	8.7
285.17026	4.3
287.11682	3.1
291.19525	82.5
313.21658	4.4
315.19659	2.6
325.12747	3.0
332.23459	2.6
333.24274	2.3
347.22241	7.2
349.23859	3.2
355.17526	7.5
361.66006	2.3
365.23267	10.4
371.22443	2.8
397.68811	7.0
398.19684	3.0
411.19864	4.6
417.23114	3.3
423.27313	4.2
424.27637	7.4
504.34131	2.5
528.38202	2.8
539.33777	7.7
557.34558	23.0
575.35931	11.8
605.34143	2.4
665.36316	2.6
683.37616	3.0
701.39233	13.3
719.40021	88.6
720.40186	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	718.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47641	1.6
55.01865	3.4
55.05507	9.0
57.03433	10.4
57.07076	28.6
67.05502	14.2
69.07066	7.4
71.08637	17.4
79.05499	13.4
81.07059	16.3
83.04991	2.1
83.08616	11.5
83.92890	2.0
85.10170	12.7
91.05485	5.2
93.07040	24.7
95.04951	3.9
95.08610	37.4
97.02893	4.4
97.10153	4.5
99.04420	2.2
103.81171	1.7
105.07030	3.0
107.04949	5.6
107.08597	20.0
109.06516	2.2
109.10157	6.8
117.07039	5.2
119.08595	5.1
121.06490	3.5
121.10149	7.4
123.11684	1.8
125.05978	3.0
131.30038	1.8
135.07951	1.6
135.11699	38.4
139.07446	1.9
143.08493	1.7
145.10123	21.4
163.11177	46.3
181.12230	9.1
227.12779	52.4
239.23799	2.1
257.24835	2.0
283.15396	89.0
299.16312	2.0
313.27347	89.2
431.19440	1.8
475.21069	4.9
521.38379	100.0
522.38635	4.8
535.23517	3.6
549.41101	2.5
562.25806	2.2
622.27734	18.9
718.46674	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	719.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
57.07050	2.1
58.46430	0.9
59.65979	1.0
67.05486	3.8
71.08636	1.9
79.05473	3.8
81.03374	1.2
81.07043	4.1
83.04981	1.0
87.04525	0.9
91.05477	2.3
93.07029	3.9
95.04948	1.9
95.08601	4.7
105.06988	1.5
107.08591	2.4
109.10141	1.1
117.07020	1.0
119.08556	1.3
119.79578	1.1
121.10128	1.9
135.11668	2.8
145.10124	2.5
163.11177	2.5
209.10898	1.1
210.11473	1.0
211.12206	1.2
225.10191	1.6
225.13791	3.0
227.12729	3.8
230.34863	1.1
235.12248	1.3
237.13843	1.8
283.15378	4.1
284.15677	1.8
313.27356	4.0
314.12820	1.7
314.27689	3.4
316.14297	1.3
335.25833	1.3
417.17004	3.7
418.17636	3.0
419.18381	1.3
431.18848	1.8
432.19476	2.4
433.20090	5.1
445.16553	1.9
447.21906	13.0
448.22827	1.8
460.18622	1.2
461.19312	2.4
474.20554	1.2
475.21280	31.3
476.21762	5.1
487.21396	1.5
503.20410	2.9
521.25165	1.6
521.38104	1.8
522.38538	4.6
535.23340	19.2
547.23199	4.4
549.24915	1.6
561.24554	5.9
562.25696	7.1
563.26398	3.7
607.24957	1.3
621.27246	11.0
622.27814	100.0
623.27948	7.9
701.47528	2.8
719.34894	1.9
719.47540	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	718.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83278	0.4
53.03936	1.1
55.01862	1.1
55.05506	11.2
56.05032	0.9
57.03434	2.3
57.05808	0.7
57.07071	3.5
58.78138	0.4
64.01856	0.4
65.03939	0.9
67.05501	20.9
69.03444	0.5
69.07067	16.0
69.26052	5.0
70.06596	2.1
71.04988	2.5
71.08625	1.2
72.08151	74.8
73.08462	0.4
79.05492	13.2
79.05962	0.7
81.03414	9.1
81.03848	0.7
81.07053	21.8
83.04975	3.6
83.08611	12.3
85.02907	5.6
85.06537	1.1
85.10168	0.6
90.09190	0.8
90.25558	0.4
91.05479	14.7
93.07040	12.5
95.04974	6.2
95.08607	15.3
96.82623	0.5
97.02909	0.9
97.06536	1.8
97.10164	5.3
98.20649	0.8
99.08096	0.5
105.04559	0.7
105.07027	7.6
107.04951	1.6
107.08586	5.3
109.06528	1.4
109.10146	6.4
109.16669	0.4
111.08070	2.0
111.11729	1.8
115.05389	0.6
117.06988	0.6
119.08573	5.3
121.10141	7.0
123.08070	1.5
123.11729	1.6
125.09650	0.7
129.07004	4.0
131.08582	2.6
133.06462	0.4
133.10088	3.7
135.11685	4.4
137.09619	0.5
137.13217	0.5
137.50983	0.5
142.07793	1.2
142.48203	0.4
145.10098	0.7
147.08098	0.9
147.11685	3.6
149.09627	1.1
149.13252	1.5
150.21187	0.5
151.14914	0.6
153.12761	0.5
157.10103	3.7
165.12814	0.8
170.05766	27.3
175.11166	2.2
193.12233	9.4
211.13280	11.5
247.24275	0.8
247.36899	0.4
265.25192	2.4
267.15903	3.1
285.17017	0.9
339.28806	2.1
417.30014	0.4
441.04581	0.5
454.21851	0.6
505.39697	0.5
529.15515	0.5
531.40393	1.0
549.41467	100.0
550.41754	1.1
718.46771	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01862	5.2
55.05504	15.5
57.03431	10.6
57.07072	1.9
59.04995	3.7
61.02912	3.9
65.03928	1.6
67.05501	100.0
69.03425	7.7
69.06715	1.4
69.07064	16.9
71.01341	0.8
71.04993	6.5
71.60418	1.2
72.08159	1.8
73.02910	2.9
73.06522	1.0
79.05491	26.1
80.05861	1.0
81.03419	11.7
81.07051	44.5
81.27094	0.9
82.07406	1.4
83.04971	6.9
83.08608	11.5
85.02901	5.2
85.06541	4.0
91.03967	1.9
91.05471	28.9
93.07037	29.6
95.04969	8.7
95.08601	18.4
97.02899	5.2
97.06529	8.8
97.10159	5.8
97.94151	0.9
99.04440	2.6
99.08097	1.9
103.05483	1.3
105.07021	19.2
107.04941	4.8
107.08581	21.0
109.02882	1.6
109.06525	4.7
109.10149	68.1
111.04511	1.2
111.08067	4.4
115.05424	1.4
117.07023	9.9
119.08574	16.1
119.27326	0.9
121.06519	3.4
121.10138	9.3
123.08097	1.8
123.11739	1.9
125.09618	5.9
127.03942	2.2
128.06258	2.4
129.07022	4.2
130.07755	1.2
131.08560	9.5
133.06445	1.1
133.10114	11.4
135.08043	3.4
135.11697	6.9
135.95811	0.9
137.09622	5.7
141.07016	2.1
143.08539	2.1
145.06500	1.8
145.10094	9.8
147.08028	1.8
147.11688	7.5
149.09625	7.8
149.13219	4.8
151.11150	1.1
155.08556	1.7
155.10649	2.4
157.10115	2.1
159.11702	6.9
161.09630	1.7
161.13255	3.1
163.11153	4.4
169.10141	2.3
171.11652	2.3
173.04463	2.2
173.09575	1.1
173.11761	18.3
173.13231	2.7
177.12802	2.5
179.14316	2.4
181.12144	1.1
189.11212	2.7
195.13789	2.4
201.12669	0.9
211.13173	1.1
212.64192	0.8
213.16434	1.3
227.12801	11.6
229.14336	58.5
229.19458	2.1
239.17892	1.6
255.15945	4.1
257.18988	4.8
264.24545	1.0
269.17358	8.5
269.52396	1.0
275.20059	16.9
276.20303	1.4
281.17474	1.3
293.20999	1.7
349.23706	16.9
350.24228	1.1
367.25082	1.8
383.24155	1.3
399.23907	2.2
407.27722	1.3
409.25848	14.3
413.21704	0.9
423.27399	48.9
424.27689	1.1
485.32648	1.0
503.33649	25.4
521.34540	4.7
543.27802	1.7
556.37659	1.3
557.34613	1.4
560.26892	1.1
567.31506	1.6
648.54742	1.2
700.40802	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	12.7
55.01656	4.1
55.01871	47.5
55.05518	33.6
57.03426	12.6
60.04515	4.7
65.03930	6.0
66.44952	4.4
67.05167	6.9
67.05502	85.7
69.03418	13.4
69.07068	28.5
70.09403	9.5
70.09814	17.6
71.04980	12.9
72.08156	25.3
73.08478	5.7
79.05492	89.9
81.03417	39.3
81.07051	71.4
83.04984	25.4
83.08619	20.7
85.02893	15.8
89.06000	4.7
91.05479	66.6
93.07038	74.7
95.04971	27.7
95.08599	48.4
97.02876	9.6
97.06524	85.1
97.10168	14.2
103.05463	5.0
105.07024	61.2
107.04944	28.0
107.08579	39.8
109.02853	10.8
109.06495	10.7
109.10169	21.8
112.97245	4.4
115.05455	5.7
117.07019	29.4
119.08551	39.0
121.06441	6.1
121.10120	19.8
123.07996	5.4
127.03931	6.5
128.06186	4.0
129.06989	13.9
131.08594	25.8
133.10126	31.6
135.08038	10.8
135.11649	10.6
137.09587	7.4
141.06976	7.9
143.08551	14.4
145.06442	9.2
145.10126	20.0
147.11703	24.8
149.09618	20.0
149.13293	5.3
151.11198	5.7
155.08551	10.9
157.10121	11.3
159.11664	15.8
161.13293	12.5
163.11166	8.8
169.10091	6.4
170.05795	11.3
171.11693	8.9
173.04466	9.5
173.13202	6.7
175.14841	5.6
179.14296	10.1
183.11737	9.3
187.11182	5.1
189.12727	8.6
207.13899	8.1
229.19360	6.8
247.20547	7.7
257.19031	9.9
259.16873	5.9
275.20047	100.0
281.17538	8.4
287.16431	8.1
349.23819	31.9
425.21753	10.7
536.50256	11.9
537.50543	20.1
541.38763	20.0
547.39728	5.6
548.40259	26.1
555.36810	32.7
699.40381	12.0
717.46399	70.9
718.41522	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	717.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.6
52.79979	2.0
53.03950	14.1
55.01868	31.7
55.05507	29.5
57.03433	9.9
57.07062	1.6
63.03087	1.6
64.09534	2.0
65.03930	5.8
67.05501	74.1
67.27444	1.6
69.03426	15.8
69.07066	43.4
69.31525	3.0
69.31937	18.4
70.38921	1.8
71.04987	6.8
72.08141	14.2
73.08485	2.5
77.03925	3.3
79.05492	70.7
79.05959	3.6
81.03410	41.4
81.07053	82.1
83.04974	20.4
83.08617	12.9
85.02898	11.5
85.06528	4.2
91.05476	95.3
92.05789	1.7
93.07039	70.8
95.01328	10.8
95.04968	34.2
95.08604	54.3
95.09229	2.0
96.08919	2.3
97.02878	9.3
97.06526	50.2
97.10171	6.2
99.04456	5.6
99.08018	1.6
103.05484	4.7
105.07025	96.6
107.04944	32.8
107.08593	28.7
109.02883	7.9
109.06557	10.6
109.10133	14.1
111.04445	3.1
111.08072	3.8
111.46174	1.7
113.09679	2.3
115.05489	5.9
117.07014	33.8
119.04913	2.1
119.08581	55.3
120.08972	2.3
121.06503	8.2
121.10159	17.4
122.10513	2.3
123.04450	6.0
123.08067	10.2
125.09684	3.1
128.06210	7.1
129.05478	2.8
129.07011	19.0
130.07750	2.5
131.04951	3.6
131.08559	41.6
133.06491	7.7
133.10123	54.0
135.08069	6.0
135.11662	11.5
137.09554	4.6
139.07578	3.8
141.06966	9.0
142.07822	1.8
143.08565	15.6
145.06470	9.6
145.10133	30.6
147.08051	5.4
147.11685	31.6
149.06027	2.3
149.09615	9.0
149.13245	6.9
151.11270	3.9
155.08560	6.6
157.06439	4.2
157.10104	10.5
159.08105	5.8
159.11671	18.5
161.09604	4.4
161.13208	10.0
163.11182	8.6
165.09087	3.5
167.08606	3.9
169.10150	7.1
170.05804	5.4
171.08119	6.8
171.10320	3.4
171.11647	14.6
173.04478	8.3
173.05899	2.0
173.09662	3.4
173.13271	8.2
175.11278	2.7
175.14946	2.0
177.12767	6.4
179.14297	18.2
181.10103	2.1
183.08127	2.9
183.11725	3.2
185.09641	3.3
185.13264	3.4
187.11145	8.0
189.12775	5.4
195.11859	3.2
195.13759	4.2
197.13258	2.2
198.53584	1.8
199.11215	2.2
205.12268	3.6
207.11806	2.2
207.13808	7.1
211.14778	2.1
213.12671	2.5
221.15520	2.7
223.14919	3.6
225.14819	2.6
229.19620	3.4
241.16046	3.4
247.20621	2.0
251.14230	3.1
257.18982	8.0
259.16959	4.7
259.20490	3.5
263.16748	2.1
269.15378	8.5
275.20047	100.0
276.20218	3.1
279.15964	15.8
281.17484	7.7
287.16406	13.3
289.50436	2.1
293.21176	4.5
295.52432	2.0
305.17953	2.5
333.16757	2.5
349.23663	32.9
361.20190	4.0
374.41919	1.9
377.23187	2.5
407.20679	2.6
425.21619	12.5
537.35638	5.7
548.40326	15.3
555.36810	45.4
569.38062	4.0
635.39178	6.1
699.40863	14.1
717.46838	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	2.4
52.62915	1.7
53.03935	10.6
55.01869	12.2
55.05507	32.7
57.03433	10.8
57.07066	3.5
58.06580	1.8
61.02910	3.9
65.03934	2.5
67.05499	71.1
69.03429	21.0
69.07066	26.3
69.80453	1.6
71.01344	1.7
71.04987	9.2
71.08618	3.3
72.08144	3.6
73.02885	2.1
74.61306	2.0
77.03906	3.0
79.05488	74.1
81.03415	41.8
81.07052	100.0
83.04975	12.8
83.08622	14.2
84.30166	1.7
85.02897	13.8
85.06532	4.9
91.05473	64.8
93.07040	55.3
95.04964	33.5
95.08047	2.7
95.08605	36.0
97.02879	13.7
97.06522	16.8
97.10167	5.3
98.21504	4.1
99.04459	4.2
99.08064	2.7
101.02409	2.3
105.07021	54.5
107.04935	17.2
107.08591	32.7
109.02869	6.1
109.06524	22.5
109.10152	13.2
111.04414	6.5
111.08047	3.4
115.05439	5.3
117.07017	26.4
119.04942	2.2
119.08577	36.2
121.06490	8.8
121.10127	15.6
123.04398	3.2
123.08054	10.3
123.11705	4.9
125.09599	4.5
127.03902	12.8
127.07591	3.0
128.06229	7.1
129.06998	20.2
130.07770	2.8
131.08548	25.4
133.06467	5.7
133.10118	21.4
135.04420	2.0
135.08014	6.5
135.11670	9.2
137.09599	6.1
141.06958	7.1
142.07788	2.9
143.08548	18.4
145.06477	6.4
145.10107	20.6
147.08040	5.6
147.11681	31.2
149.05965	3.2
149.09625	10.0
149.13251	5.4
151.07576	2.5
151.11166	3.3
153.06984	2.1
155.08525	10.7
157.06496	3.5
157.10109	12.1
159.08090	3.5
159.11670	10.8
161.09618	6.2
161.13210	7.1
163.11160	4.8
165.06947	1.8
165.09023	2.7
166.96552	1.9
167.08551	4.4
169.10139	9.6
171.08031	3.3
171.11662	17.7
173.04530	4.2
173.09621	3.1
173.13304	5.5
175.11163	4.2
175.20015	1.7
177.12694	3.1
181.10124	5.4
183.11678	6.3
185.09659	2.3
185.13248	4.0
187.11180	5.1
189.09105	2.7
189.12737	5.8
191.10541	2.2
191.14299	3.1
193.10039	2.0
195.11768	2.9
197.09682	3.2
197.13263	3.3
199.11211	2.3
201.12804	4.0
203.14273	1.9
205.12163	2.4
207.11847	3.0
207.13779	11.3
209.13206	3.2
213.12750	2.9
227.14413	2.8
228.44144	2.0
229.19475	2.7
233.15311	2.5
247.13260	2.1
247.20596	4.9
257.18900	5.3
259.16937	3.1
267.15683	2.1
269.15341	3.4
275.17694	1.8
275.20056	47.3
279.15979	2.4
281.17419	21.6
287.16544	3.4
293.20996	9.5
299.20117	2.2
335.25922	2.1
343.22830	1.9
349.23804	17.5
367.24866	2.8
373.23618	2.4
377.23322	2.8
383.21878	5.2
387.24167	2.0
407.20291	3.1
481.32770	2.2
493.27112	2.2
527.37177	4.6
537.36163	9.2
555.36688	39.0
569.37830	2.3
573.37939	4.8
651.39294	2.1
653.41565	2.5
681.39673	5.4
699.40869	9.3
717.43677	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	717.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.8
53.03938	17.3
55.01867	14.9
55.05256	2.9
55.05505	35.4
56.96573	2.2
57.03436	16.4
57.07060	2.3
57.07460	1.4
58.06575	1.8
61.02921	2.3
61.77596	1.7
65.03928	8.1
67.05501	96.1
69.03426	24.8
69.07062	28.2
70.09611	7.2
71.01350	2.4
71.04990	13.2
72.08151	2.4
73.02903	1.8
74.09706	2.6
77.03916	3.0
79.05487	100.0
81.02921	3.0
81.03410	82.8
81.07050	93.9
83.04973	24.3
83.08614	16.2
85.02897	17.2
85.06528	6.1
91.05475	95.1
93.07037	86.8
94.07362	2.1
95.04966	33.6
95.08598	46.2
97.02883	18.2
97.06522	17.5
97.10163	10.4
97.10704	1.7
98.32524	1.7
99.04456	8.9
99.08093	2.5
103.03899	2.3
103.05465	4.2
105.07021	74.6
107.04947	23.6
107.08583	41.3
109.02850	13.6
109.06517	15.2
109.10152	21.4
111.04431	4.2
111.08074	5.2
115.05430	7.0
117.07008	33.5
119.08569	48.6
121.06520	9.1
121.10127	19.4
123.04414	4.9
123.08074	11.0
123.11696	6.6
125.09635	6.7
127.03917	15.0
127.07507	2.5
128.06219	7.3
129.05481	3.9
129.06996	24.1
130.07762	2.2
131.04909	2.7
131.08562	36.2
133.06462	6.8
133.10126	29.8
135.04387	1.8
135.08046	10.2
135.11710	11.1
137.05957	2.3
137.09584	5.1
141.06995	6.0
142.07756	3.9
143.08549	22.1
145.06506	9.2
145.10104	27.5
147.08087	7.9
147.11685	37.9
149.09604	11.3
149.13248	7.5
151.11133	3.6
155.08577	8.6
157.06509	2.7
157.10098	12.5
159.08076	5.5
159.11684	17.2
161.09573	6.3
161.13202	11.6
163.11195	9.9
167.08559	2.3
169.10130	10.0
171.08044	5.3
171.11667	29.1
173.04454	29.9
173.05846	3.5
173.09610	4.4
173.11852	2.8
173.13199	9.2
175.11169	5.0
177.00653	2.1
177.12717	5.3
179.14175	2.8
181.10085	3.2
183.08115	1.9
183.11693	7.1
185.09558	3.5
185.13255	5.7
187.11208	6.4
189.12711	12.6
191.14352	2.2
191.76367	1.8
195.11674	2.6
197.13237	4.6
199.06010	6.7
199.11108	2.8
199.14801	2.2
201.12790	2.5
207.13763	21.8
209.13269	4.1
215.14124	1.9
225.14848	3.3
227.12628	3.8
227.14583	2.6
229.14330	4.1
229.19504	4.6
231.09027	2.5
231.13979	2.0
233.15326	2.2
233.18971	2.5
239.17908	3.7
247.20569	6.6
251.14299	2.3
257.18900	11.9
259.17047	2.1
261.14810	1.8
269.10596	9.0
273.18469	5.0
275.20038	62.1
279.16016	3.4
281.17432	35.1
282.17844	2.4
287.11545	9.2
287.16483	6.4
293.21097	5.3
311.11621	1.8
313.21432	3.2
325.21481	2.5
331.22717	3.0
349.23776	20.8
367.25351	2.3
383.22055	3.6
401.23209	2.0
407.20560	2.5
419.24313	3.8
423.27634	2.3
425.21613	3.0
463.31644	3.0
475.30478	5.3
487.18503	10.6
488.18661	1.9
493.27820	3.0
531.28058	1.9
537.35522	6.9
555.36859	39.4
556.37299	3.0
573.37494	3.4
597.37598	2.7
619.35095	10.2
663.38586	3.1
699.40570	7.5
717.41840	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	717.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	15.1
55.01878	14.0
55.05254	2.8
55.05505	29.7
57.03431	10.1
57.07066	3.6
57.21526	1.7
61.02929	2.6
65.03930	5.0
67.05502	76.1
69.03426	26.2
69.07066	27.3
71.04987	11.3
72.08118	2.2
73.02889	2.6
73.06556	2.1
77.03914	2.6
79.05488	100.0
81.03414	67.3
81.06573	4.2
81.07052	81.6
83.04977	24.8
83.08617	14.1
85.02889	13.8
85.06520	4.6
87.04492	2.2
91.05475	91.5
93.07037	86.1
95.04958	32.2
95.08033	3.6
95.08601	40.7
97.02892	18.5
97.06513	12.8
97.10177	7.9
99.04429	8.8
99.08051	3.5
103.03931	2.9
103.05457	5.0
105.07025	71.4
107.04939	16.1
107.08591	37.8
109.02858	14.3
109.06528	14.7
109.10143	17.2
111.04456	4.2
111.08066	5.9
115.05464	7.6
117.07021	24.3
119.08577	44.7
121.06491	7.8
121.10136	21.1
123.08051	8.2
123.11721	4.3
125.09609	4.6
127.03907	15.5
127.07611	2.3
128.06223	7.9
129.05515	2.4
129.06993	27.2
130.07774	3.2
131.08559	31.8
133.06564	4.2
133.10121	29.8
135.08047	12.1
135.11691	10.6
137.05945	2.5
137.09608	6.4
141.06970	6.1
142.07854	2.1
143.08565	15.3
145.06520	8.4
145.10114	26.8
147.08034	6.5
147.10628	3.2
147.11697	37.5
149.09610	9.6
149.13269	6.8
151.11159	2.2
153.06941	2.7
153.09052	1.9
155.08574	7.6
156.09386	3.7
157.06497	2.8
157.10117	8.3
159.08076	3.7
159.11691	18.2
161.09561	9.7
161.13228	13.7
163.11172	9.8
165.12674	2.4
167.08606	4.3
169.10123	7.1
171.11697	31.0
173.04472	23.3
173.05856	3.6
173.09641	6.8
173.13272	7.2
175.11136	2.2
177.12749	5.5
181.10081	2.8
183.11748	6.4
185.09628	3.4
185.13266	5.7
187.11194	2.4
187.14813	2.7
189.11290	2.7
189.12744	11.2
191.14333	2.4
197.13260	5.9
199.11238	2.8
201.12848	3.1
207.11829	3.0
207.13773	22.1
211.11125	3.2
213.12804	2.0
215.14218	2.7
215.18036	2.2
227.12668	3.6
229.19633	3.4
229.31836	2.8
239.17957	5.7
247.20610	6.0
257.18948	17.2
269.15106	2.8
273.18475	2.2
275.20047	64.3
281.17456	40.9
287.16489	3.8
293.21066	6.4
313.21704	2.0
349.23703	23.0
365.21207	2.5
379.21338	1.9
383.22147	3.8
401.23480	1.9
407.20746	2.5
419.24136	3.0
425.21588	3.2
475.30441	3.3
493.27640	3.8
527.36768	4.5
537.35638	6.6
555.36774	37.2
573.38104	3.3
619.34705	7.9
681.39667	3.6
699.40765	7.8
717.41730	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	716.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03938	1.4
55.01886	0.8
55.05258	0.6
55.05508	8.9
56.05032	0.9
57.03426	1.9
57.05806	0.7
57.07071	1.3
59.04974	0.5
65.03934	1.7
67.05500	35.1
69.03429	0.6
69.07062	7.8
69.07406	0.7
70.06586	3.1
70.07153	2.5
71.04990	2.4
72.08149	100.0
79.05489	17.9
81.03413	8.3
81.07049	31.4
83.04982	4.4
83.08608	6.2
85.02904	5.4
85.06537	1.1
88.69964	0.4
90.09185	1.3
91.05473	19.6
93.07040	14.1
95.04961	6.6
95.08599	22.3
97.02899	0.5
97.06525	2.7
97.10165	1.7
99.08083	1.0
105.07024	10.5
107.04954	2.0
107.08584	6.4
109.06506	2.1
109.10148	6.9
109.27729	0.4
111.08090	2.4
113.05978	0.5
117.07027	0.8
118.93247	0.4
119.08572	8.1
121.06479	0.5
121.10130	5.8
121.43295	0.5
123.08086	1.3
123.11697	3.3
125.09599	0.5
129.06999	3.6
131.08575	3.8
133.06531	0.6
133.10106	5.6
135.11710	1.9
137.09605	0.9
137.13269	1.0
142.07764	1.1
145.10101	0.8
147.08084	0.9
147.11665	5.2
149.09636	1.9
149.13271	1.0
153.12737	0.5
157.10129	3.2
161.13306	0.7
163.11118	0.6
163.14830	0.7
165.12750	0.6
170.05760	42.2
175.11151	3.3
175.14818	1.0
177.57498	0.4
193.12222	8.4
211.13287	12.3
211.15234	0.7
245.22688	1.0
249.15002	0.7
263.23801	1.8
267.15839	2.6
275.47086	0.4
285.17078	0.8
289.54507	0.4
337.27362	1.5
393.15793	0.4
529.38617	1.8
547.39899	91.7
548.40344	3.0
716.43695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
55.05502	1.2
57.03432	1.9
61.02924	5.1
65.03931	0.5
67.05499	6.3
69.03426	3.3
69.07064	1.6
69.35935	3.4
69.36350	1.7
71.27800	0.5
72.08153	0.8
73.02911	3.5
76.91014	0.5
79.05487	4.4
81.03422	1.5
81.07053	4.9
83.04989	1.0
83.08605	0.9
85.02905	5.2
87.04458	0.7
91.03947	3.2
91.05487	2.2
93.07039	4.3
95.04943	0.5
95.08594	3.4
97.02882	5.8
98.21532	1.1
101.02367	1.0
103.74937	0.5
105.07033	1.3
107.08570	1.7
109.02845	0.7
109.10188	1.5
119.08546	1.0
121.10143	1.6
123.11730	0.7
127.03909	1.6
135.11676	2.2
145.10149	0.9
147.11699	0.8
203.05229	0.5
221.11566	0.9
243.08456	1.3
335.25754	0.9
439.19391	4.1
519.29333	8.2
548.39886	1.8
669.86023	0.5
717.41669	100.0
718.42218	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	716.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01864	1.5
55.05256	0.7
55.05509	8.7
56.05030	0.6
57.03440	2.1
57.05809	0.4
57.07067	1.5
59.15892	0.4
65.03930	2.1
67.05501	37.1
69.03426	1.2
69.07063	9.5
69.83499	2.3
70.06596	2.5
71.04975	2.0
71.08630	0.5
72.08150	82.7
79.05489	17.0
79.05956	0.7
81.03416	9.6
81.07052	34.1
83.04978	4.3
83.08623	6.1
85.02903	6.6
85.06548	0.6
90.09184	0.7
91.05476	18.7
93.07037	12.5
94.18810	0.4
95.04967	7.7
95.08601	23.2
97.02911	0.8
97.06526	2.1
97.10173	1.6
98.21440	0.8
99.08087	1.3
101.60858	0.3
103.05453	0.6
105.07024	10.9
107.04945	2.3
107.08581	6.5
109.06516	1.4
109.10148	6.2
111.04438	0.5
111.07391	0.5
111.08047	2.7
115.05457	0.5
117.07053	1.0
119.08569	8.7
121.06535	0.6
121.10138	5.9
123.08036	0.7
123.11713	3.1
125.09641	0.8
128.06248	0.4
129.06996	3.2
131.08553	3.6
133.10124	6.9
135.11685	1.6
137.09656	0.8
137.13258	0.9
142.07796	1.0
145.10123	1.1
147.08052	0.5
147.11682	4.9
149.09544	1.8
149.13274	1.0
151.14774	0.5
155.03325	0.4
155.08586	0.5
157.10104	3.4
161.13278	1.2
163.11160	0.4
163.14815	0.6
165.12767	0.6
170.05760	28.2
175.11197	2.9
175.14861	0.8
193.12244	9.6
211.13274	11.1
236.74063	0.4
245.22632	0.5
248.33768	0.4
249.14778	0.5
263.23633	2.1
267.15872	2.2
285.17191	0.9
321.36996	0.4
335.26053	0.4
337.27454	1.4
427.43277	0.4
454.21918	0.8
529.38922	1.4
547.39911	100.0
548.40332	2.0
682.31281	0.4
716.42853	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	715.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15611	0.3
50.59133	0.3
55.05497	0.6
57.03413	0.5
61.02919	1.0
66.16291	0.3
67.05501	2.3
69.03415	0.5
71.04971	0.5
71.60629	0.5
73.02904	0.8
79.05498	1.1
81.03409	1.0
81.07053	2.8
83.01079	0.5
85.02899	1.1
91.03943	0.6
91.05488	1.2
93.07039	1.9
95.01080	0.5
95.04967	0.9
95.08597	1.2
96.70371	0.4
97.02872	0.8
105.07013	1.2
107.08595	1.1
109.02917	0.4
109.10127	0.5
115.03954	0.4
119.08588	0.6
121.10097	0.5
123.04367	0.4
127.03812	0.8
129.07047	0.6
131.08641	0.6
133.03525	0.7
133.10123	0.8
139.03757	0.5
149.13290	0.5
155.01918	0.4
155.03125	0.3
157.04636	0.4
157.10110	0.4
159.11688	0.6
160.53511	0.3
161.03012	0.3
173.03003	0.7
185.04248	2.6
197.06033	0.4
201.03738	1.6
203.05199	1.8
236.52974	0.4
243.08510	0.5
257.06424	0.7
259.07864	2.3
269.10489	0.5
275.07272	0.4
285.10040	0.6
291.06415	0.4
305.07645	0.7
314.33142	0.4
317.08517	0.5
317.19748	1.0
319.10071	1.8
329.08356	0.5
331.09869	2.5
335.20679	1.1
345.11813	0.8
347.09460	3.2
359.13309	0.5
363.09094	1.7
365.10498	3.8
369.26602	0.4
373.14755	0.8
373.22925	0.4
391.24692	0.5
401.17932	0.4
413.17908	0.7
415.19647	0.7
421.13098	2.0
427.19690	0.4
437.12842	0.6
453.20981	1.0
455.22696	0.9
469.20264	0.5
483.22061	1.7
485.16962	0.5
485.23529	0.5
493.15262	3.8
507.16678	0.9
521.18579	0.9
535.20099	0.9
535.27747	0.5
553.29761	10.6
553.38226	0.7
559.26440	0.6
563.22961	0.7
577.24860	1.2
617.27307	0.7
625.31848	7.6
645.27185	1.0
697.34033	1.0
715.35016	100.0
716.35303	1.7
718.50342	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.2
56.05029	4.0
57.07068	2.6
58.42886	0.9
60.04515	1.6
67.05499	10.3
69.03423	1.5
69.07062	5.8
71.08623	1.4
72.08111	1.2
79.05483	8.4
80.05006	2.8
81.05781	1.2
81.07058	9.9
82.06579	5.4
83.08607	4.2
85.02903	2.2
91.05470	7.0
93.07044	9.3
94.06559	15.3
95.04964	2.4
95.07361	7.0
95.08608	7.2
96.08132	5.7
97.02884	1.3
97.10200	1.2
98.21526	2.3
100.14346	1.1
104.09502	0.8
105.07026	3.8
107.08582	3.0
108.08118	2.8
109.10153	3.1
119.08593	5.2
121.10117	5.7
123.11645	2.1
133.10124	3.7
134.16595	1.0
135.11662	2.8
147.11700	1.8
149.13190	1.1
233.22720	4.6
245.22665	4.4
250.25334	7.5
254.24667	1.5
258.99326	0.9
260.23660	1.0
260.63254	1.0
262.25287	100.0
272.25763	5.3
280.26263	7.2
413.84439	0.9
504.47479	5.9
516.47797	26.4
518.49365	5.1
534.48822	16.9
696.53998	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	715.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.5
53.03936	2.0
55.01864	3.2
55.75843	0.9
56.96561	1.6
57.03417	1.1
65.03934	2.0
67.05502	1.8
68.99790	7.0
69.03428	1.9
70.06591	1.4
70.88984	2.2
70.89330	0.9
71.04974	1.8
72.08148	0.9
77.44505	0.9
78.02956	0.8
79.01859	1.1
79.05513	2.4
81.03407	3.7
81.07044	1.2
85.02894	3.9
87.04504	0.9
87.59739	0.9
91.05459	6.5
93.07027	0.9
95.04966	4.4
95.08574	1.0
97.02861	1.6
98.97591	1.3
99.04438	1.4
99.29456	0.9
103.05446	1.4
103.31965	0.9
105.03384	1.2
105.07029	1.9
107.04947	62.6
109.02863	2.5
109.10175	0.9
111.00800	4.4
111.04427	3.0
116.98599	1.6
117.07000	1.1
119.04935	36.4
121.02847	4.9
121.06449	1.8
121.10137	1.1
123.04420	100.0
123.08022	1.6
127.03905	59.2
131.04929	2.7
133.06482	4.0
135.04408	19.9
137.02324	12.8
137.05974	4.2
138.86900	0.9
139.03893	39.1
141.06955	1.3
143.04927	1.3
145.02760	1.1
145.06482	6.8
147.04404	37.7
149.02324	7.0
149.05995	1.5
149.09645	2.2
151.03896	22.5
153.01826	15.7
153.06927	1.5
154.02136	1.2
157.06506	3.0
159.04372	1.5
161.05942	6.4
163.03896	27.5
165.05496	5.5
165.06903	1.4
167.03400	14.8
167.07027	0.9
169.06494	1.5
171.04385	5.6
171.08073	1.3
173.05986	2.9
175.03857	4.9
177.05420	3.8
179.03430	9.1
181.06432	2.3
185.06023	4.1
187.03831	5.7
187.07539	2.6
189.05484	8.7
191.03362	15.7
191.14349	1.6
193.04945	6.2
197.06003	2.5
199.07579	2.0
201.05475	7.2
203.03384	15.4
203.07050	2.2
205.04922	2.4
213.05533	4.9
215.03336	2.7
215.07018	3.6
217.04956	2.3
225.05441	1.1
227.03401	1.9
227.07008	3.8
229.04944	7.7
231.06500	19.6
233.04491	7.1
237.02852	2.1
237.05298	1.1
239.06999	1.7
243.06561	8.6
245.04393	9.8
245.08147	2.9
247.06000	11.5
251.05550	2.6
255.06528	11.2
255.92194	1.1
257.04456	13.5
257.08221	2.5
259.05994	5.4
267.06586	5.9
269.04468	6.2
271.05978	12.5
273.07532	23.4
275.05460	20.3
283.05981	5.0
285.07605	15.0
287.05472	36.3
289.07022	6.6
291.08710	2.1
297.07745	1.7
299.05563	5.8
301.07025	8.1
345.90219	1.0
360.95932	1.2
377.10593	1.4
391.08032	4.1
393.09662	17.4
409.09122	19.6
411.10739	1.8
419.11374	1.9
421.09149	2.1
427.10092	1.9
468.61554	1.0
517.13702	1.2
519.18695	1.2
547.12665	1.6
643.89661	1.0
682.46295	1.2
715.21936	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	714.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01864	1.3
55.05510	7.6
56.05025	1.2
57.03430	2.5
57.05809	0.7
57.07069	0.9
60.30136	0.4
65.03939	1.9
67.05501	24.9
68.05833	0.4
69.03417	1.5
69.07060	5.3
70.06574	3.0
71.04994	2.0
72.08150	100.0
73.08488	0.7
77.03928	0.4
79.05489	24.4
81.03414	9.8
81.07050	22.0
82.07399	0.5
83.04976	4.5
83.08609	6.0
85.02896	6.3
85.06566	0.9
90.09218	0.8
91.05477	21.4
93.07039	23.1
95.04961	8.8
95.05545	0.6
95.08604	13.5
97.02894	0.5
97.06503	3.0
97.10185	1.3
99.08102	0.6
105.04516	0.5
105.07018	12.2
107.04925	2.3
107.08587	9.1
109.06537	2.1
109.10144	4.2
111.04485	0.7
111.08079	2.8
113.05997	0.5
115.05408	0.8
117.06994	2.4
119.08576	8.8
121.06559	0.6
121.10133	9.4
123.08048	1.4
123.11684	1.4
125.09704	0.5
128.06219	0.5
129.07021	3.4
131.08556	5.5
133.06512	0.6
133.10123	6.6
135.11664	3.0
142.07802	0.8
143.08611	0.7
145.10132	2.6
147.08081	0.7
147.11673	4.9
149.09628	1.5
149.13248	1.9
157.10132	3.2
159.11717	1.4
161.13231	0.6
165.12807	1.3
170.05763	43.6
173.13304	0.7
175.11160	3.1
187.14853	0.6
193.12224	9.2
211.13283	12.8
211.15234	0.6
259.95227	0.4
261.22141	0.8
267.15866	2.0
285.16879	1.0
291.65686	0.5
335.25897	1.5
410.57019	0.5
527.37006	1.0
545.38342	98.1
546.38812	5.8
592.91760	0.5
678.26160	0.5
714.42303	0.8
715.43488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03943	2.0
55.01863	1.4
55.05506	9.5
56.05032	1.4
57.03427	2.9
57.05812	0.9
57.07066	0.8
59.65949	0.3
65.03939	1.8
67.05500	29.7
69.03428	1.1
69.07065	7.0
70.06585	3.3
71.04987	2.1
71.34923	0.3
72.08150	97.5
73.08498	0.7
77.03920	0.5
79.05488	26.8
81.03415	11.0
81.07051	27.5
83.04974	5.3
83.08614	6.1
85.02902	6.6
85.06531	1.1
87.04489	0.5
90.09198	0.9
91.05473	26.0
93.07038	27.9
95.04962	9.6
95.05548	0.6
95.08601	17.0
97.02910	0.4
97.06521	2.0
97.10159	1.4
98.21500	1.0
99.08087	1.0
103.05474	0.4
105.04579	0.8
105.07025	14.7
106.07371	0.5
107.04954	2.9
107.08587	11.0
107.09281	0.7
108.08905	0.4
109.06505	2.9
109.10152	5.3
111.04476	0.4
111.08078	3.0
113.05991	0.6
115.05438	0.7
117.07004	2.8
119.08576	11.0
121.06468	0.7
121.10139	10.5
122.10499	0.3
123.08038	2.0
123.11713	1.4
125.09589	0.4
127.07533	0.4
128.06126	0.5
129.06999	4.8
130.07790	0.3
131.08560	7.8
131.09497	0.4
133.06476	0.6
133.10127	7.4
135.11676	3.9
137.09631	0.7
142.07797	1.3
143.08505	0.4
145.10129	2.7
147.08041	1.0
147.11673	5.5
149.09642	2.2
149.13264	1.4
151.11230	0.5
157.10094	3.5
159.11703	1.5
161.13342	1.0
163.11211	0.7
163.14706	0.4
165.12798	0.6
170.05766	32.9
173.13345	1.4
175.11208	3.3
175.14804	0.4
193.12236	11.1
211.13277	14.4
229.77640	0.4
261.22159	1.6
267.15891	2.7
285.17075	0.4
317.24765	0.4
317.35806	0.4
335.25833	1.2
454.21832	0.4
527.37469	1.1
545.38336	100.0
546.38684	6.7
583.18530	0.4
668.37408	0.4
714.43646	0.5
715.44147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.5
53.03943	1.9
55.01856	1.6
55.05507	9.1
56.05030	0.6
57.03437	3.1
57.05804	1.2
57.07067	2.3
58.06588	0.5
60.52093	0.4
65.03950	2.0
67.05502	27.7
69.03408	1.1
69.07068	7.7
70.06596	3.3
71.04988	2.3
71.08629	0.9
71.59271	0.6
72.08152	100.0
73.02888	0.4
73.08496	0.5
77.03944	0.5
79.05490	33.6
81.03414	10.7
81.07053	26.4
82.07378	0.5
83.04974	5.7
83.08617	7.4
85.02897	8.1
85.06535	2.3
90.09202	1.2
90.46477	0.4
91.05476	30.0
92.05807	0.4
93.07040	31.6
95.04962	11.6
95.08601	14.2
97.02875	0.9
97.06555	2.1
97.10172	2.3
99.04498	0.4
99.08087	1.3
103.05428	0.7
105.04494	0.7
105.07027	19.0
107.04934	2.3
107.08587	13.5
109.06515	2.3
109.10148	5.2
111.08082	2.7
113.05997	0.5
114.18646	0.4
115.05444	1.2
116.06264	0.6
117.07022	6.1
119.08578	14.6
121.06500	0.9
121.10145	11.6
123.08079	1.7
123.11723	1.5
125.09645	1.2
128.06226	0.6
129.07002	5.0
131.08563	11.4
133.06531	0.7
133.10121	7.6
135.11687	8.1
137.09601	0.9
137.13216	0.8
142.07791	1.3
143.08554	1.3
145.10109	5.6
147.08046	1.0
147.11681	7.8
149.09612	1.4
149.13243	4.0
151.11113	0.4
155.08458	0.5
155.10658	0.4
157.10138	4.7
159.11671	2.1
161.13252	2.5
163.11209	1.2
163.14812	2.1
165.12750	0.9
170.05768	30.3
171.11676	1.2
173.13251	2.5
175.11189	3.7
175.14816	2.0
187.14851	1.6
189.16493	0.9
191.82146	0.4
193.12210	9.4
197.13409	0.5
199.14851	0.6
201.16318	0.7
207.13873	0.6
211.13260	10.7
243.21080	2.6
261.22144	6.8
267.16028	2.0
281.17380	0.6
285.17001	0.9
299.23602	0.7
317.24771	10.3
317.28302	0.7
335.25830	1.3
363.17630	0.9
445.29788	0.7
453.33676	0.7
475.30753	1.1
527.37372	3.4
541.34796	0.4
545.38342	99.2
546.38647	5.2
555.36285	0.7
678.37823	0.6
714.35675	1.4
722.73138	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.4
51.02380	0.5
52.42269	0.4
53.03934	1.9
55.01865	1.1
55.05508	7.8
56.05026	1.3
57.03430	2.7
57.05808	0.8
57.07068	2.2
58.06596	0.6
59.01591	0.4
59.04986	0.4
60.05645	0.5
65.03938	1.2
67.05499	22.0
68.05841	0.7
69.03419	1.3
69.07065	6.1
70.06580	3.4
70.16072	0.3
70.25622	1.6
71.04988	1.9
71.08642	0.5
72.08148	100.0
73.08477	0.7
77.03929	0.5
79.05487	27.5
81.03414	8.5
81.07050	22.4
82.07391	0.6
83.04981	4.8
83.08606	4.9
85.02895	6.1
85.06532	1.4
90.04056	0.4
90.09196	0.7
91.05473	23.7
92.05803	0.6
93.07036	26.8
95.04961	8.7
95.08593	12.6
96.05283	0.5
97.02871	0.4
97.06516	1.9
97.10168	1.4
98.20921	0.6
99.08092	0.7
103.05449	0.6
105.04504	1.3
105.07024	15.0
107.04935	2.4
107.08577	11.1
109.06515	1.7
109.10142	3.9
111.08076	2.1
112.49432	0.4
113.05972	1.0
115.05403	0.8
117.07012	4.7
118.15276	0.3
119.08571	10.8
121.06511	0.7
121.10124	7.9
123.08078	0.8
123.11705	1.6
125.09652	0.8
129.07007	4.6
130.07816	0.4
131.08557	9.4
133.06482	0.7
133.10115	7.3
135.11671	5.4
136.96687	0.4
137.09657	0.8
142.07799	1.1
143.08549	1.2
145.06499	0.4
145.10117	3.6
147.08040	1.0
147.11684	6.2
149.09619	1.3
149.13266	2.2
157.10114	3.4
159.11676	2.4
160.68568	0.4
160.87337	0.4
161.13229	1.8
163.11121	0.7
163.14807	1.1
165.12753	1.0
169.10072	0.5
170.05760	40.7
171.11688	0.6
173.13251	1.9
175.11171	2.7
175.14824	1.4
187.14857	1.1
189.16415	0.6
193.12225	6.4
201.16400	0.9
211.13269	8.8
233.22662	0.4
243.21077	1.4
249.14853	0.4
261.22073	4.6
267.15955	1.6
281.17645	0.5
285.17062	0.9
285.23016	0.4
299.23688	0.7
317.24695	7.6
321.04944	0.5
335.25723	0.6
451.54269	0.4
527.37390	3.6
545.38312	81.7
546.38678	5.0
714.30487	0.4
715.32788	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	713.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01886	0.4
55.05492	1.1
56.58325	0.4
57.03443	1.9
58.17648	0.4
61.02922	5.0
67.05502	3.9
67.83262	0.4
69.03419	3.5
69.07066	0.9
69.25432	1.2
69.25855	3.0
71.01373	0.5
71.04991	3.4
73.02913	3.6
79.05494	3.2
81.03412	3.0
81.07050	6.0
83.04990	0.9
83.08633	1.3
85.02898	5.5
85.06557	0.5
91.03959	2.9
91.05479	3.9
93.07047	3.0
95.04961	1.4
95.08624	1.4
97.02890	4.0
97.06526	1.0
98.98487	0.3
99.04472	0.8
101.02388	1.7
102.24697	0.4
105.06400	0.4
105.06987	2.1
107.08614	1.1
109.02883	0.9
109.06520	0.8
109.10202	0.8
111.08099	0.7
111.18012	0.4
117.07008	0.5
117.78846	0.4
119.08618	1.0
121.10158	1.4
123.11753	0.7
125.09703	0.5
127.03935	1.7
129.07048	0.4
131.08582	1.2
132.41229	0.4
133.10120	2.9
135.11681	0.4
149.13216	0.6
151.11214	1.0
157.10182	0.5
159.11710	0.5
175.11189	0.6
183.13838	0.5
185.04208	0.4
187.13370	0.6
193.12236	0.9
195.13800	0.5
203.05238	0.4
207.18608	0.3
209.45264	0.3
236.92792	0.4
243.08347	2.8
251.12601	0.8
257.17490	0.8
267.15805	1.1
269.17682	0.5
312.92288	0.4
371.87256	0.5
441.20789	0.5
453.21091	1.0
469.20459	5.6
485.23572	6.3
501.23077	0.8
551.28436	0.5
641.31616	1.3
713.37183	100.0
714.37653	1.9
727.87164	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92438	0.3
51.39114	0.3
53.03938	0.7
55.05507	0.8
57.03437	1.7
61.02924	3.7
67.05495	4.1
69.03429	2.3
69.07056	1.6
71.01354	0.5
71.04984	1.0
71.05477	0.5
71.05808	0.3
72.08157	0.3
73.02913	2.4
79.05485	2.7
81.03405	2.5
81.07058	5.4
83.04969	0.5
83.08597	1.3
85.02896	3.9
85.06545	0.4
87.04459	0.6
91.03954	2.2
91.05471	2.4
93.07035	3.4
95.04966	0.9
95.08592	1.6
97.02892	3.1
97.06543	1.1
99.04446	0.8
101.02380	1.2
103.03932	0.4
105.07037	1.4
107.04970	0.4
107.08609	2.0
109.02918	0.7
111.08131	0.8
111.11776	0.3
115.03963	0.4
117.07052	0.7
119.08601	0.8
121.10096	1.8
127.03913	0.9
129.05550	0.3
130.32175	0.3
131.08577	1.2
133.10135	1.4
135.11746	0.6
147.11684	0.9
149.01321	0.3
149.09633	0.8
149.13249	2.0
151.11264	0.4
152.36116	0.3
155.90695	0.3
157.10155	0.8
159.11702	0.9
163.11235	0.3
175.11157	0.6
185.04225	0.4
193.12338	0.8
195.13818	0.5
211.00215	0.3
211.13309	0.5
235.13158	0.7
243.08461	1.8
251.12643	0.3
267.16000	0.4
269.17581	0.8
283.06415	0.6
283.15225	2.9
291.15833	0.6
339.17813	0.4
383.10211	0.3
453.20901	10.3
469.20581	1.0
485.23669	0.3
501.23032	5.5
551.32147	0.4
698.50146	0.3
713.37195	100.0
714.37714	1.9
730.32709	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
60.74417	0.5
67.05495	2.0
69.07061	0.8
70.23740	1.7
71.04965	0.6
72.08155	1.3
79.05493	2.0
81.03411	1.0
81.07058	1.8
91.05493	1.6
93.07071	1.4
95.04961	0.9
95.08612	1.3
95.56732	0.5
105.07039	0.9
107.08579	0.8
109.10172	0.8
119.08580	1.2
120.45624	0.5
121.10155	0.8
141.28082	0.5
165.93338	0.6
171.56978	0.6
188.55133	0.5
197.69017	0.5
214.18289	0.6
280.26443	1.0
328.94025	0.7
426.86325	0.6
501.21167	0.7
544.36847	1.3
641.29736	1.2
713.35040	100.0
714.35809	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	713.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
54.30236	0.5
55.05505	0.6
55.62931	0.5
56.10731	0.5
56.96563	1.4
57.03432	0.6
61.02931	1.4
62.03696	0.5
67.05506	1.5
69.03429	1.0
69.41759	2.8
69.42185	1.8
72.08157	0.8
73.02911	1.0
79.05486	0.6
81.03425	1.4
81.07061	1.2
81.74806	0.5
82.72668	0.5
83.04957	0.4
85.02914	1.7
91.03944	0.9
91.05483	1.4
93.07063	0.9
95.04961	1.2
95.08608	0.9
97.02898	0.9
101.02448	0.6
101.70773	0.5
105.07043	1.2
107.04967	0.7
107.08643	0.6
109.10169	0.4
109.86874	0.5
112.78796	0.4
119.08622	0.8
127.03989	0.8
131.00165	0.8
147.04378	0.7
149.01215	1.2
177.00691	0.5
193.12248	0.8
195.18755	0.6
201.29201	0.5
249.08060	0.6
249.11153	0.5
265.59528	0.5
267.09006	5.8
269.10495	0.7
285.09979	5.9
293.05426	1.0
309.10068	1.1
312.64767	0.5
323.11459	0.5
361.60944	0.6
448.27786	0.8
459.20837	0.5
469.20496	0.7
485.17090	6.2
489.16449	0.6
550.14990	0.5
677.28186	0.8
695.32452	2.0
699.52014	0.6
713.31653	100.0
714.31854	5.5
721.57007	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07869	0.6
53.03940	0.6
55.01872	1.0
55.05502	2.3
57.03432	3.0
57.07081	0.6
61.02922	5.1
67.05514	3.1
67.05820	0.5
69.03425	3.6
69.07066	1.2
70.06149	2.8
71.04997	0.9
73.02912	3.9
73.98699	0.6
79.05502	3.0
79.67847	0.5
81.03422	4.0
81.07063	3.8
83.01122	1.6
83.05006	0.9
83.08612	1.7
85.02902	7.1
91.03948	4.8
91.05477	3.0
93.07063	1.0
95.01082	0.8
95.04972	1.7
95.08602	0.9
96.01823	0.6
97.02910	5.5
97.06535	0.6
97.10178	0.7
99.04444	1.6
101.02382	2.7
105.07029	2.2
107.04956	0.9
107.08607	1.2
109.02837	0.9
109.10168	1.0
111.08054	0.6
114.19342	0.5
115.03993	0.6
117.05479	0.8
119.08606	1.4
121.10162	0.7
125.09648	1.7
127.03919	2.2
127.11197	0.7
129.05473	3.0
129.06987	0.8
131.08609	0.8
133.10152	1.2
135.11736	0.9
137.05922	0.9
145.04958	0.7
145.10138	1.1
147.11696	1.4
149.09610	0.6
157.04826	0.6
157.10149	0.7
175.11229	0.8
176.83826	0.6
181.04745	1.9
185.04195	6.3
185.11800	0.6
193.12285	1.8
195.06502	0.6
199.05804	1.0
199.13283	1.1
201.03754	2.4
201.14981	0.7
203.53526	0.5
207.13745	0.6
211.13394	0.9
227.05359	1.0
241.06906	1.3
243.08363	6.0
251.12628	4.6
255.26772	0.6
259.07776	0.6
265.14044	0.7
267.09146	0.9
267.15634	0.6
277.14240	2.0
285.10144	1.1
291.10764	0.9
291.15765	1.4
301.08908	19.5
307.15433	0.7
315.10562	4.6
321.16757	0.7
327.10535	1.3
329.11896	1.0
341.12045	1.5
343.13702	1.0
347.96335	0.6
349.16275	4.2
355.13583	1.4
357.11432	0.7
357.15338	2.0
363.17899	0.6
367.17590	1.4
369.15329	1.6
371.16727	1.2
373.10986	6.8
383.16696	4.3
385.18307	11.1
387.12686	2.2
395.16827	2.6
401.14246	0.9
413.17603	0.7
427.19656	0.7
429.17459	2.4
433.25745	2.0
436.64722	0.6
439.19296	2.7
441.20959	1.2
443.18954	7.4
457.20383	1.7
469.20425	18.9
479.26321	1.3
483.22061	1.9
484.19293	0.8
485.19769	6.5
487.20938	0.7
499.21332	4.5
511.21130	1.3
527.28375	1.7
528.21777	7.3
541.22467	10.8
555.24268	2.7
569.25262	3.8
583.29089	2.0
597.27826	0.8
611.30157	7.4
612.31042	5.9
625.31421	1.5
641.31396	1.4
651.33557	1.2
653.31445	1.4
667.33014	1.7
695.32501	1.8
696.33276	0.9
713.33478	100.0
714.33801	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	712.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10790	1.4
53.03932	3.2
55.01867	3.2
55.05512	14.3
57.03230	1.2
57.03440	13.1
57.07071	2.9
57.99236	1.5
61.02923	3.2
65.03936	2.6
65.78540	1.4
67.05505	61.5
69.07063	17.1
70.66148	4.9
71.01324	2.1
71.04978	4.1
71.08631	2.3
72.08152	19.7
73.02917	1.8
79.05489	48.4
81.03410	5.0
81.07056	41.9
83.04977	11.1
83.08619	5.6
85.02919	3.4
85.06525	2.9
91.05474	21.5
93.07037	55.3
95.04945	6.0
95.08044	2.4
95.08602	31.4
97.06519	7.6
97.10182	7.4
105.07022	12.2
107.04971	1.7
107.07861	2.0
107.08587	32.9
109.06561	2.2
109.10162	12.7
111.36372	1.3
117.07008	5.7
119.08588	13.2
121.10146	16.0
123.08025	1.6
123.11678	4.6
126.17656	1.4
131.08638	7.6
133.10127	7.5
135.11682	41.1
145.10114	9.9
147.11659	4.1
149.13249	5.4
153.12704	4.4
157.10123	2.0
159.11678	3.6
161.13290	4.0
163.11130	3.8
173.13223	3.5
181.12187	9.0
185.25540	1.6
199.13289	2.8
208.01305	1.7
243.21109	4.2
253.14362	3.1
255.15903	65.2
261.22122	10.0
317.24600	2.7
335.25769	52.4
423.32779	2.0
441.33649	2.2
467.37186	2.6
515.37354	100.0
516.37140	3.9
533.38123	3.1
543.40179	2.2
571.41931	2.7
712.39386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01870	1.1
55.05505	8.5
56.05035	1.2
57.07064	0.9
59.86461	0.7
65.03925	1.3
67.05499	32.0
69.07064	6.6
70.06576	4.4
72.08149	86.7
73.08491	0.9
79.05485	24.6
81.03420	2.0
81.07049	29.6
83.04971	3.3
83.08611	2.4
85.06526	1.2
91.05475	18.4
93.07031	19.2
95.04964	7.8
95.08599	18.4
97.06541	1.6
97.10165	1.5
105.07030	12.0
107.04946	2.8
107.08587	6.8
108.48413	0.6
109.06501	1.2
109.10137	4.9
111.08132	0.6
117.07009	1.3
119.08578	8.9
121.06531	0.9
121.10133	2.2
123.08055	0.9
123.11734	1.8
127.07553	1.0
128.06210	0.9
129.06992	4.2
131.08577	1.0
133.10110	3.4
134.51894	0.8
135.11707	1.3
143.08519	1.3
145.10110	1.4
147.11696	9.2
161.09607	1.3
161.13252	3.4
170.05756	27.2
171.11676	5.7
173.45357	0.9
184.42432	0.8
189.12796	2.4
207.13791	9.0
225.14874	1.7
338.28122	1.0
543.40405	100.0
544.40735	6.3
552.86981	0.9
564.10632	0.8
612.46649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.7
57.03433	6.5
57.58623	0.9
59.05021	1.2
59.16995	1.1
67.78744	0.9
69.03432	4.0
71.04992	41.8
71.59768	1.5
73.02904	7.2
75.04498	2.0
83.05001	5.9
85.02903	51.6
87.04468	1.7
90.82106	1.0
95.04983	1.3
97.02888	3.2
99.04451	2.0
103.05344	0.9
111.04452	5.4
113.05984	2.0
117.05483	5.9
121.02879	6.2
127.03936	2.0
129.05457	14.5
137.05962	2.4
147.04420	1.7
147.06511	4.9
153.01823	6.4
153.05406	1.4
163.06059	5.4
165.01831	1.6
178.05058	1.6
233.04329	1.1
239.09091	1.8
259.05939	1.2
287.05487	100.0
288.05688	2.2
299.05536	7.3
300.06067	2.2
301.07123	1.9
303.04858	2.9
311.05573	2.9
313.07162	1.2
325.06943	2.4
329.06494	14.5
332.36124	1.1
347.12271	1.4
351.08435	1.9
353.06500	5.6
361.02313	1.5
379.08084	6.9
389.13467	1.5
397.09183	9.7
399.78253	1.1
415.10184	3.3
419.09692	19.4
420.10422	1.2
433.11206	4.5
461.11005	6.1
529.13678	5.2
547.14532	4.8
548.67389	1.0
554.21814	1.7
565.15546	13.2
687.96747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2119
Annotation	hermannioside B
Peak:m/z	Relative Intensity
55.05496	1.7
57.03433	6.5
57.58623	0.9
59.05021	1.2
59.16995	1.1
67.78744	0.9
69.03432	4.0
71.04992	41.8
71.59768	1.5
73.02904	7.2
75.04498	2.0
83.05001	5.9
85.02903	51.6
87.04468	1.7
90.82106	1.0
95.04983	1.3
97.02888	3.2
99.04451	2.0
103.05344	0.9
111.04452	5.4
113.05984	2.0
117.05483	5.9
121.02879	6.2
127.03936	2.0
129.05457	14.5
137.05962	2.4
147.04420	1.7
147.06511	4.9
153.01823	6.4
153.05406	1.4
163.06059	5.4
165.01831	1.6
178.05058	1.6
233.04329	1.1
239.09091	1.8
259.05939	1.2
287.05487	100.0
288.05688	2.2
299.05536	7.3
300.06067	2.2
301.07123	1.9
303.04858	2.9
311.05573	2.9
313.07162	1.2
325.06943	2.4
329.06494	14.5
332.36124	1.1
347.12271	1.4
351.08435	1.9
353.06500	5.6
361.02313	1.5
379.08084	6.9
389.13467	1.5
397.09183	9.7
399.78253	1.1
415.10184	3.3
419.09692	19.4
420.10422	1.2
433.11206	4.5
461.11005	6.1
529.13678	5.2
547.14532	4.8
548.67389	1.0
554.21814	1.7
565.15546	13.2
687.96747	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97992	2.4
53.83665	2.3
55.05492	8.8
56.92009	2.6
57.03429	2.7
57.07072	13.9
58.06596	33.0
67.05495	25.7
69.07051	9.4
71.08615	11.2
71.50066	2.7
71.60173	3.4
72.08154	38.8
72.85638	2.3
79.05486	17.8
79.96343	2.7
81.02975	3.4
81.03413	37.5
81.07062	22.7
83.04941	3.2
83.08617	13.0
85.10155	4.6
91.05477	9.4
93.07033	17.5
95.04958	11.6
95.08610	17.0
97.10187	3.9
105.07021	11.5
107.04970	2.7
107.08617	6.6
109.10155	7.2
119.08554	7.4
121.10120	4.8
123.11596	3.6
127.46021	2.9
131.08553	2.7
133.10104	4.9
143.08553	2.8
147.11626	3.5
170.05742	8.3
170.35307	2.5
180.33173	3.1
180.52617	2.4
190.11867	2.6
193.12187	3.7
239.15025	2.8
244.70393	2.6
274.09787	2.8
389.58939	2.6
395.63275	2.9
396.22821	2.6
470.06577	3.0
505.38898	100.0
541.38989	31.3
582.28223	3.1
699.62396	2.7
710.35583	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	710.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28831	0.6
51.02374	0.6
52.19764	0.5
53.03945	2.7
54.26629	0.7
55.01861	1.1
55.05510	9.3
55.21297	0.6
57.03433	1.1
57.07062	1.2
57.83370	0.5
64.69252	0.6
65.03922	1.2
67.05504	27.5
69.03434	1.0
69.07069	5.7
70.06586	3.6
71.04999	1.1
71.59996	1.0
72.08155	86.3
77.03916	0.8
79.05495	35.4
81.03408	3.5
81.06569	1.3
81.07055	22.6
83.04982	4.0
83.08604	3.9
84.04520	0.8
85.02921	0.6
85.06548	1.4
90.09219	0.9
91.05480	22.6
93.07043	28.0
95.04971	8.7
95.08607	16.4
97.06532	1.9
97.10178	1.5
104.81573	0.6
105.04569	1.0
105.07030	14.6
105.16905	0.6
106.12012	0.7
107.04961	2.4
107.08595	11.4
109.02827	0.9
109.06527	2.6
109.10142	4.9
110.33874	0.6
111.08081	1.1
117.06998	4.0
119.08584	11.0
121.06532	0.7
121.10121	6.1
123.08067	1.3
123.11710	0.7
128.06232	0.9
129.07016	4.6
131.08559	2.9
133.06381	0.7
133.10115	5.8
135.11656	3.0
143.08565	2.6
145.10158	3.5
147.11690	8.5
147.91122	0.6
149.13368	0.7
150.10005	0.6
159.11661	0.8
161.09587	0.6
161.13181	3.1
170.05768	22.2
171.11714	7.1
179.92441	0.6
189.12776	2.4
207.13811	8.9
211.13371	0.7
225.14902	0.9
361.42920	0.7
492.56357	0.7
505.38757	0.9
541.38904	100.0
542.39105	1.8
612.46796	1.0
696.24786	0.8
710.45776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41317	0.6
53.03938	1.2
55.01878	1.0
55.05259	0.7
55.05508	9.5
56.05043	1.4
57.03421	1.4
57.05815	0.9
57.07065	2.3
58.46894	0.5
65.03936	1.6
67.05499	27.1
69.03420	1.2
69.07058	5.9
70.06586	3.7
71.01344	0.5
71.04996	0.7
71.60152	1.0
72.08150	100.0
79.05487	34.3
79.05956	1.3
81.03413	4.3
81.07051	23.9
82.07373	0.7
83.04986	3.6
83.08606	3.6
85.02904	0.9
85.06519	1.1
86.92232	0.6
90.09199	1.0
91.04890	0.6
91.05475	25.6
93.07037	35.4
95.04955	8.6
95.08601	14.1
97.02904	0.6
97.06540	2.3
97.10159	2.1
99.08105	1.1
105.04518	0.6
105.07021	17.5
107.04964	2.5
107.08579	12.7
109.06522	2.2
109.10147	4.1
111.08087	1.2
115.05421	0.6
115.87483	0.5
117.06993	5.8
117.23724	0.6
119.08570	11.7
119.09438	0.6
121.06588	0.6
121.10135	7.2
123.08076	1.9
123.11709	1.1
128.06209	0.9
129.06995	5.0
131.08568	4.9
133.10118	5.1
135.08003	0.7
135.11667	5.4
135.42732	0.6
142.07826	0.6
143.08559	2.0
145.10098	6.6
147.07983	0.9
147.11681	11.2
149.13260	2.0
159.11717	1.4
161.09608	1.1
161.13251	4.3
161.14479	0.8
163.14861	1.1
170.05766	28.9
171.11627	5.4
173.13306	1.5
175.14851	1.3
187.14903	1.0
189.11287	0.7
189.12813	2.2
189.16473	0.6
207.13783	6.4
243.21049	1.2
261.22180	3.2
275.20212	1.1
281.17352	0.9
291.19559	1.5
317.24695	8.6
349.23666	0.9
403.28400	1.9
449.34018	1.3
485.36182	1.3
523.37854	1.2
530.35553	1.0
541.38855	89.4
542.39185	3.7
641.42169	0.7
645.66675	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
54.02147	0.5
55.01855	0.4
55.05508	1.1
57.03431	1.8
61.02925	3.4
67.05504	3.6
68.13349	0.4
69.03436	2.1
69.07059	1.0
69.62380	0.4
70.32702	1.9
71.01346	0.4
71.04982	3.7
73.02903	2.6
79.05509	3.3
81.03422	1.7
81.07058	5.9
83.08603	0.9
85.02896	4.0
85.06534	0.7
91.03947	2.0
91.05476	4.1
93.07040	4.4
95.04971	0.6
95.08627	1.2
97.02895	2.6
97.06512	0.7
99.04472	0.6
101.02382	1.5
105.07025	2.1
107.05000	0.5
107.08594	1.7
109.02866	0.4
109.10152	0.8
111.08039	0.5
115.03942	0.4
115.05550	0.5
117.07064	0.5
119.08616	1.1
121.10143	0.6
123.11713	1.0
127.03925	1.0
129.06998	0.8
131.08615	0.8
133.10066	2.2
145.04991	0.5
145.10100	0.5
147.11697	1.4
149.13249	0.6
151.11168	1.4
158.86858	0.5
159.11647	0.6
161.80998	0.4
171.11673	0.5
185.04256	0.5
193.97197	0.4
243.08519	1.9
246.34692	0.5
247.13130	0.9
267.15738	0.9
293.27264	0.4
303.15659	0.5
453.20959	0.6
465.21036	6.5
485.23538	7.2
709.37659	100.0
710.37354	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	709.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96818	3.4
53.03927	7.3
55.01881	3.6
55.05516	21.4
57.03426	8.5
57.07068	10.5
67.05502	100.0
69.03413	10.3
69.07052	13.4
69.46052	28.9
71.04987	22.3
71.08657	4.8
71.38299	3.9
72.08149	21.6
79.05485	35.3
81.03429	32.6
81.07053	51.0
82.01479	3.8
83.04971	19.2
83.08611	12.3
91.05473	31.0
93.07047	37.0
95.04974	9.6
95.08125	3.9
95.08614	41.5
97.06540	4.6
97.10149	4.9
98.21506	6.7
98.98470	5.3
105.07016	16.0
107.04970	4.4
107.08573	19.1
109.02876	10.0
109.06549	4.7
109.10153	52.2
111.04420	7.9
117.07002	8.7
119.08591	18.3
121.10140	16.5
123.11702	5.3
129.05440	5.7
129.06964	4.1
131.08563	9.1
133.10095	13.0
135.11667	14.3
137.09619	10.5
143.08549	6.8
145.10126	10.8
147.11661	7.4
148.55106	3.8
149.13239	4.9
159.11665	5.0
160.21530	3.7
161.13152	4.8
163.11147	4.7
171.11752	5.7
173.04475	3.9
173.11740	14.2
173.13112	4.4
180.73659	4.2
208.35915	3.6
211.13255	7.1
214.15465	4.0
227.12773	3.8
229.14394	5.4
255.23143	15.8
261.22070	6.4
303.66595	3.8
314.51395	4.4
335.25946	19.7
369.24017	4.0
376.01404	4.6
467.37085	4.7
477.72308	4.0
489.35767	29.7
491.37177	10.3
515.37122	6.6
540.40015	5.9
547.39960	19.6
659.41241	4.3
709.45331	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	709.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09129	0.3
53.03940	0.5
55.01873	0.4
55.05500	1.1
57.03433	2.1
61.02923	4.5
67.05502	5.9
69.03423	2.3
69.07059	1.2
70.06190	1.0
71.01315	0.3
71.04993	3.1
73.02908	2.6
79.05489	3.5
81.03413	2.2
81.07049	6.2
83.04975	0.9
83.08625	0.9
85.02900	3.7
85.06548	0.7
87.04491	0.4
88.52694	0.3
91.03951	1.9
91.05480	4.7
93.07053	3.8
95.04969	1.6
95.08604	1.8
97.02886	3.5
97.06541	0.7
97.10189	0.4
98.65704	0.3
99.04464	0.7
101.02384	1.3
105.07035	2.9
107.04949	0.3
107.08588	1.9
109.02901	0.8
109.06499	0.5
109.10168	1.2
111.08085	0.5
113.10793	0.3
115.03922	0.6
117.07008	0.7
119.08585	1.6
121.10148	0.7
123.08054	0.5
123.11728	0.7
127.03886	0.9
129.07022	1.2
131.08615	0.8
133.10141	2.2
135.08058	0.3
135.11693	0.5
145.10120	0.8
147.11700	1.2
149.13315	0.6
151.11183	0.6
159.11754	0.6
161.13243	0.6
171.11697	1.1
183.13901	0.4
185.04182	0.4
187.13284	0.4
243.08461	2.2
247.13202	1.1
250.78275	0.3
257.17523	0.8
267.15802	1.0
269.17572	0.3
281.17435	0.4
465.20941	8.6
466.21249	0.3
485.23514	6.7
529.54358	0.3
709.37665	100.0
710.38068	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	708.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05509	4.4
55.45533	0.5
56.05016	0.6
57.05820	0.6
57.07073	15.6
64.12068	0.5
67.05502	17.9
68.31156	0.6
69.03423	0.6
69.07062	4.5
69.25620	3.9
69.26045	2.5
70.06576	1.7
71.04588	0.9
71.04990	17.7
71.08629	10.7
72.08152	69.0
79.05486	6.6
81.07053	26.3
83.04971	2.3
83.08618	4.9
85.06529	1.4
85.10181	5.5
91.04888	0.8
91.05469	12.1
93.07033	7.1
95.04967	1.6
95.08604	12.0
95.67817	0.6
97.06512	3.1
97.10159	2.1
100.88241	0.6
105.07015	5.9
107.08585	4.8
109.06522	0.9
109.10149	6.8
111.08069	0.8
114.51958	0.5
117.07015	1.6
121.10140	2.5
123.11709	6.4
131.08568	1.8
133.10138	6.4
135.11700	1.3
149.13310	2.1
151.11198	2.7
159.11687	1.3
170.05771	26.3
177.12755	1.0
183.13805	3.1
191.86938	0.5
195.13811	1.4
213.14836	0.7
239.23743	1.6
269.17447	0.9
283.18982	0.8
285.16992	1.2
313.27286	1.3
339.28903	1.0
341.27032	0.7
343.25110	0.6
495.40488	8.6
507.40317	3.8
539.43048	100.0
540.43292	2.9
665.68994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.2
53.03933	1.0
55.01846	1.7
55.05471	0.7
56.91767	0.5
57.03411	0.7
58.52983	0.5
65.03913	1.9
67.01838	0.6
67.05511	2.8
67.88393	0.5
68.99475	0.6
68.99780	6.5
69.07045	1.0
69.51734	2.7
69.52146	1.3
71.20398	0.5
77.03868	0.8
79.05459	2.4
81.03411	5.1
81.07050	1.4
83.04950	1.0
83.08594	1.2
83.92048	0.5
85.02869	2.0
89.03905	1.3
91.05480	2.6
93.03337	0.6
93.07007	1.6
95.04967	4.0
97.02872	1.2
99.04446	1.2
103.05463	11.9
105.03358	0.9
105.06995	1.0
107.04958	5.0
107.08556	0.7
109.02896	2.9
111.00795	3.6
111.04441	3.5
115.05458	0.9
117.03345	0.7
119.04946	1.0
119.08564	0.7
121.02880	2.3
121.10119	0.8
123.04420	87.1
127.03907	100.0
128.04265	0.6
129.06992	0.6
131.04916	28.4
131.08499	0.7
133.06537	0.8
135.04405	34.8
137.02344	3.3
137.05983	1.5
139.03894	46.4
141.07024	1.3
145.06490	0.6
145.10167	0.6
147.04388	6.9
149.02328	4.9
149.06046	1.8
149.09651	0.6
151.03894	13.3
151.05110	0.8
153.01865	1.0
155.04922	0.9
157.06602	0.9
159.04390	3.4
161.05991	3.5
163.03894	37.1
165.05521	2.3
167.03403	8.9
169.06514	1.9
173.06013	2.5
175.03897	5.1
175.07588	0.6
177.05455	5.2
179.03383	4.0
181.05016	1.1
181.06491	1.0
183.04478	1.5
185.05997	1.2
187.03835	5.2
187.07568	1.1
189.05469	3.6
191.03386	12.5
191.05006	0.9
191.06978	0.8
193.04970	3.6
193.12300	0.9
197.05981	4.0
199.07578	0.8
201.05487	8.5
203.03380	11.3
203.05138	0.8
203.07173	1.8
205.04973	3.1
209.11821	1.8
211.04004	0.5
211.13330	1.4
212.13754	0.6
213.05540	2.0
215.03464	1.9
215.07019	2.6
217.05133	1.6
219.06419	0.7
225.05551	1.0
227.03221	0.5
227.07120	1.0
227.12967	1.0
229.04959	6.4
231.06665	2.1
233.04404	6.0
237.05640	0.7
241.05101	1.7
243.06523	5.9
245.04462	7.3
247.06009	22.1
251.05659	1.7
253.05011	0.8
255.06465	3.2
257.04419	9.7
257.07013	0.7
259.06021	9.4
259.08282	0.7
261.07632	0.9
267.16187	0.8
269.04370	5.6
271.05984	20.7
273.07568	5.9
275.05457	15.0
275.08340	0.7
283.05975	8.8
283.15768	0.8
285.07800	1.6
285.17178	1.6
287.05481	28.8
289.07037	12.0
297.07516	0.9
299.05499	4.3
301.07025	12.9
301.16623	1.2
311.05563	0.8
323.09241	0.7
325.06995	0.7
391.03961	0.8
391.07953	3.5
393.10086	2.1
409.09171	25.1
421.09433	2.1
427.10123	2.8
435.11084	1.5
475.27710	0.7
493.28766	1.6
511.29330	1.1
512.29907	1.3
543.13214	1.1
561.14471	0.6
706.74353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01869	2.9
55.05262	1.0
55.05510	16.0
57.03430	12.9
57.07071	1.3
59.04999	1.1
61.02913	4.1
65.03927	2.6
67.05504	59.7
69.03414	5.2
69.07068	10.6
69.48499	6.9
71.04990	28.8
72.08135	1.2
79.05490	31.2
81.03416	41.8
81.07054	100.0
83.04984	14.2
83.08132	1.6
83.08615	21.6
83.09093	1.2
85.02409	1.8
85.02899	21.0
85.06541	9.9
87.04457	1.1
91.03938	1.7
91.05478	42.7
93.07043	27.6
95.04968	20.9
95.08611	14.3
97.02894	3.6
97.06526	8.0
97.10159	4.2
98.21467	1.9
99.04472	2.3
99.08082	2.5
105.07027	26.9
107.04944	7.7
107.08596	16.6
109.06529	6.1
109.10138	8.0
111.04428	2.6
111.08072	10.1
113.05992	2.2
115.05424	1.7
117.07004	3.7
119.07796	1.2
119.08578	17.2
121.06470	2.3
121.10146	11.2
123.08044	2.5
123.11701	15.3
125.09621	2.5
127.03904	1.3
129.06989	8.9
131.08565	13.5
133.06487	2.2
133.09122	1.4
133.10126	25.5
135.08067	2.5
135.11703	3.6
137.09549	1.1
142.07767	1.6
145.10123	2.5
147.08022	2.6
147.11685	14.0
149.09618	3.6
149.13258	5.4
151.11169	8.4
157.10152	10.5
159.11673	5.0
163.11136	1.1
165.12764	2.3
169.12212	1.6
175.11168	13.4
177.12761	2.0
183.13834	3.0
187.13324	4.6
193.12250	30.9
195.13802	4.1
201.14951	1.0
211.13290	31.2
213.14952	1.4
221.08534	0.9
225.14908	3.1
229.14426	1.2
238.89632	0.9
243.15923	4.4
253.18002	2.8
257.17535	1.2
267.15930	18.5
269.17477	18.6
283.15341	1.0
285.16959	19.4
301.20111	22.1
349.23688	4.1
361.23492	1.1
417.26340	3.4
435.27475	29.7
436.27722	1.4
443.27643	1.6
445.24823	1.2
449.29285	1.4
453.28482	69.8
454.28592	2.1
461.28973	52.9
462.29120	2.6
467.30032	11.3
479.30035	54.9
480.30420	3.1
493.31631	4.4
511.32758	41.3
512.33167	2.4
709.33545	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
53.43447	0.8
55.01859	2.0
55.05503	7.9
57.03429	12.4
57.24562	0.7
61.02919	0.9
65.03922	1.0
65.46274	0.7
67.05501	28.5
69.03439	1.7
69.07062	9.6
70.65865	1.4
70.66195	1.5
71.04980	4.9
73.02882	0.9
75.05170	0.9
79.05487	19.2
81.03410	46.3
81.07053	41.5
82.48505	0.9
83.04984	5.0
83.08616	14.4
85.02885	2.0
85.06525	2.8
91.05472	16.5
93.07033	29.3
93.07623	1.5
95.04963	15.3
95.08597	10.6
97.02863	2.0
97.06513	7.1
97.10156	1.6
99.08088	1.7
105.07020	9.5
107.04955	4.0
107.08591	15.0
109.06506	2.6
109.10149	2.5
111.04432	1.2
111.08090	5.7
115.05448	1.1
117.07008	3.9
119.04920	1.1
119.08582	7.6
121.06479	2.4
121.10136	13.4
123.08068	1.4
123.11695	1.4
125.09644	1.2
129.07016	4.8
131.08557	8.2
133.06506	2.0
133.10110	7.7
135.08052	1.7
135.11726	4.1
137.09604	1.0
139.11212	0.9
142.07777	1.8
145.10175	1.2
147.08057	1.5
147.11671	5.7
149.09625	2.2
149.13251	14.2
151.11128	0.9
153.66592	0.7
157.10132	5.8
159.11670	7.2
163.11201	1.1
165.12735	1.3
175.11148	5.5
177.12740	3.0
179.46228	0.8
193.12230	12.2
195.13730	4.0
211.13284	1.5
223.13062	0.8
249.14868	1.4
267.15894	46.0
267.53448	0.6
269.17450	54.8
280.56488	0.8
369.24310	1.9
372.68866	0.8
417.26193	1.1
435.27396	4.0
443.27841	1.8
453.28198	1.4
461.28964	100.0
462.29343	3.0
463.90787	0.9
479.30035	3.7
493.31940	0.9
501.63370	0.9
503.29922	1.4
511.32605	2.7
706.33606	0.8
708.30133	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.9
55.01868	15.0
55.05505	29.2
57.03432	26.3
57.07063	3.6
59.04995	1.4
61.02929	6.3
64.38757	0.9
65.03938	2.6
67.05500	44.1
69.03421	8.6
69.07058	12.3
70.04178	0.9
70.66364	1.6
70.66749	1.3
71.01330	1.4
71.04987	6.0
73.02902	5.2
79.05486	46.1
80.06248	1.3
81.03412	81.9
81.07050	40.9
82.04205	4.6
83.04974	30.0
83.08611	34.0
84.02127	1.4
84.05779	1.2
85.02900	26.8
85.06532	4.2
87.04469	1.5
91.03986	4.2
91.05476	48.8
93.07037	29.6
94.07823	1.1
95.04964	42.3
95.08598	15.8
96.05746	1.4
97.02886	9.5
97.06526	10.5
97.10165	16.8
98.07304	7.1
99.04444	2.5
99.08080	3.0
101.05966	1.0
103.05484	1.0
105.07024	31.4
107.04949	14.4
107.08588	19.0
109.02868	0.9
109.06503	7.2
109.10149	14.5
111.04430	6.4
111.08070	21.2
113.05995	2.5
115.05460	2.8
115.07598	0.8
116.04699	13.9
117.05580	0.8
117.07017	7.2
119.04926	1.3
119.08574	27.1
121.06503	4.2
121.10131	14.6
123.08064	8.8
123.11705	2.2
125.05988	1.4
125.09621	20.3
127.03886	0.9
127.07516	0.9
127.11160	2.1
129.05472	30.2
129.06967	15.1
131.08562	18.4
132.09291	0.8
133.06474	4.4
133.10123	20.3
133.11078	1.5
135.08038	4.5
135.11687	6.5
137.05997	1.1
137.09586	4.5
139.07536	1.0
142.07794	3.5
143.07031	7.6
143.10611	1.2
145.10097	7.8
147.08040	5.9
147.11679	22.1
147.12778	1.7
149.09602	9.6
151.07483	1.3
151.11165	1.4
153.09138	2.1
153.12758	3.7
155.08533	1.2
157.08611	16.1
157.10129	21.2
158.05745	1.5
163.07590	0.8
163.11172	9.8
164.11951	1.1
165.12767	4.6
171.06526	3.5
171.10167	5.3
173.09647	1.3
173.11693	4.3
175.11168	21.5
181.12225	2.6
185.08080	1.7
185.11642	1.2
189.11215	7.6
191.10651	3.3
193.12228	76.7
199.09647	0.9
199.13284	17.3
200.14055	1.7
201.14786	1.2
209.11678	8.1
210.12454	2.5
211.13274	100.0
212.13638	0.9
217.14432	1.1
227.12764	13.8
229.14383	3.7
241.14426	1.8
243.15862	1.2
247.13232	3.0
249.14871	1.7
255.15962	3.4
265.14520	0.9
267.12994	1.6
267.15881	29.3
269.17337	1.1
283.15390	12.6
284.16150	1.5
285.16937	65.7
301.16437	74.4
313.15973	1.0
339.17871	2.4
382.27127	1.4
409.25864	4.6
421.25739	1.4
427.26932	3.4
435.27393	0.9
439.26938	10.8
453.28534	1.0
458.26660	1.2
459.27432	3.1
461.29001	2.1
475.26816	1.8
476.27466	2.4
477.28479	5.1
479.30032	1.8
493.21115	1.3
493.27994	16.5
494.28665	7.2
511.28995	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	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.2
54.68524	2.1
55.01861	8.9
55.05510	35.5
57.03432	19.5
57.07089	5.2
61.02933	2.4
65.03918	7.1
67.05499	91.2
69.03426	27.1
69.07069	25.2
70.16576	9.5
71.04994	11.6
71.08651	3.1
72.08150	7.8
73.02914	3.4
73.56345	2.3
78.08772	2.4
79.05489	58.5
81.03413	100.0
81.07050	88.1
83.04975	47.6
83.08616	28.1
85.02896	22.3
85.06521	6.8
91.05475	53.8
93.06464	3.9
93.07039	64.0
95.04958	34.1
95.08600	57.4
95.47543	2.1
97.02886	28.2
97.06497	11.7
97.10164	7.7
99.04453	7.3
105.07028	40.4
107.04942	10.0
107.08591	41.8
109.02882	14.3
109.06522	7.8
109.10148	31.1
111.04444	23.0
111.08056	12.6
113.05982	3.1
117.07025	14.2
119.08579	36.0
121.06509	5.7
121.10143	30.9
123.04369	3.4
123.08077	6.6
123.11716	9.0
125.09631	3.4
127.03902	12.3
128.00827	2.2
129.05489	12.0
129.06963	14.1
131.08556	29.0
133.06502	4.9
133.10109	24.4
135.08073	4.7
135.11679	15.9
137.09599	5.8
141.06987	3.5
143.08571	5.4
145.06534	2.5
145.10101	16.9
147.08044	7.6
147.11673	30.9
149.09622	8.2
149.13255	7.8
153.12770	7.6
155.08562	4.3
156.18591	2.3
157.10115	13.2
159.11703	10.0
161.13254	6.2
163.11154	13.2
165.12744	6.6
169.10005	3.4
171.11726	5.4
173.13271	8.2
175.11156	13.7
175.14792	3.8
181.12262	7.0
183.11728	2.8
185.13258	2.7
187.14763	5.1
189.12770	2.4
191.10684	9.8
193.12219	48.1
195.11765	3.9
197.13304	2.9
199.14865	2.7
203.80029	2.3
209.11591	3.6
209.13388	2.9
211.13264	73.1
213.12689	2.6
227.12759	15.6
229.14316	5.2
261.22125	13.8
267.15805	12.9
275.20245	2.9
277.14456	2.6
277.21817	3.0
283.15396	6.6
285.16907	19.3
335.25778	36.4
337.27414	8.7
351.23047	3.2
355.17197	3.9
369.24118	3.3
411.20166	3.5
429.21085	6.4
479.30060	3.5
523.24634	2.6
527.37048	10.4
539.39240	3.4
545.38281	37.8
563.39246	2.6
653.40607	6.1
671.41132	3.8
689.42578	22.4
707.44006	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	707.4353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	12.2
55.01870	14.6
55.05260	2.6
55.05508	37.1
56.23712	2.0
56.78030	2.2
57.03436	16.5
57.07069	14.6
61.02911	3.7
65.03926	6.2
67.05498	86.2
67.60581	2.0
68.05835	2.5
69.03141	2.3
69.03432	25.7
69.07057	26.6
71.01334	2.6
71.04982	17.4
71.08625	3.9
72.08150	23.7
73.02918	3.2
79.05482	57.9
81.03410	100.0
81.07049	88.0
83.04972	36.6
83.08613	31.8
85.02893	17.0
85.06520	3.1
87.04462	38.7
88.04774	4.6
91.05473	55.1
93.07033	57.6
94.21130	2.5
95.04961	32.7
95.08601	52.5
96.05297	2.3
97.02892	20.4
97.06528	10.6
97.10166	8.6
98.21533	4.9
99.04445	7.1
99.08084	2.7
99.64354	2.1
103.60108	2.1
105.07023	44.9
107.04933	8.1
107.08586	31.8
109.02858	13.9
109.06504	9.4
109.10149	29.1
111.04427	20.0
111.08080	13.6
113.05999	3.2
114.34993	2.0
115.05457	3.6
117.06992	19.1
119.08570	39.2
121.06490	6.6
121.10130	30.0
123.08080	5.4
123.11684	9.7
125.09628	5.3
127.03889	14.3
129.05496	13.0
129.06981	14.4
131.08559	25.7
133.06500	4.0
133.10126	23.1
135.08012	5.4
135.11678	19.0
137.09581	6.4
142.07750	5.0
143.08604	10.1
145.06509	2.2
145.10094	20.0
147.08014	7.3
147.11673	26.0
149.09589	11.8
149.13242	6.7
149.36705	2.3
151.11171	2.8
153.12724	8.3
153.13922	2.2
155.08501	3.7
157.10097	15.7
159.11671	12.3
161.13235	7.1
163.11183	10.0
163.14836	4.2
165.09164	2.1
165.12756	5.7
167.08641	2.0
169.10117	7.7
170.05785	11.4
171.11655	8.1
172.56323	1.9
173.09601	5.5
173.13255	7.5
175.11195	14.3
175.14861	3.7
181.10135	2.3
181.12212	12.8
183.11739	3.5
185.13306	5.6
187.11223	2.9
187.14760	2.8
189.12720	2.5
191.10654	12.1
193.12218	36.2
197.13202	2.7
199.14771	4.7
209.11635	3.3
209.13350	3.5
211.13258	48.0
227.12704	19.9
229.14244	5.3
229.92017	2.7
233.82487	2.4
243.21147	3.1
249.14792	4.2
261.22107	11.9
263.23785	2.3
267.15900	12.3
275.19910	2.9
277.21558	6.4
279.23151	3.8
283.15417	9.1
283.20361	2.4
285.16913	23.1
301.16724	2.3
301.21603	4.3
313.21207	2.9
317.24887	2.9
335.25858	16.3
337.27335	11.0
351.23135	4.4
355.17719	5.1
369.24219	6.0
387.25360	4.6
405.26147	5.0
427.19324	5.1
429.20978	6.0
435.32455	3.4
443.27554	2.6
466.74744	2.4
479.30005	4.5
527.37085	11.9
538.38123	13.3
539.39337	14.0
545.38153	27.7
546.37579	2.3
609.45142	10.8
635.39075	4.0
653.39972	6.9
671.40631	6.8
689.42572	25.1
707.44403	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	707.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91328	0.3
54.63947	0.4
57.01226	0.4
57.03404	0.5
67.79681	0.4
69.03426	0.5
70.28818	1.6
80.49696	0.3
81.03381	0.4
82.99453	0.4
82.99889	1.3
85.02872	1.3
93.75627	0.4
97.02875	1.1
101.00854	2.8
110.01379	0.6
110.64152	0.3
113.00872	0.5
119.01919	13.4
122.01344	2.0
123.11674	0.4
125.23466	0.3
127.02425	0.6
127.46774	0.4
128.01320	0.5
131.01898	11.3
131.51981	1.3
137.01883	5.4
137.02942	2.4
137.51910	1.0
140.02397	0.6
141.28630	0.4
143.01880	16.4
143.51938	1.6
145.03468	6.8
146.02390	0.8
146.52512	0.5
147.01408	1.2
149.01874	1.4
149.02950	0.6
149.51976	0.5
152.02412	4.3
152.52525	0.9
153.03891	0.5
155.01869	8.7
157.03481	3.0
158.02394	1.4
158.52478	0.6
161.02954	19.8
162.03018	0.6
163.04520	1.8
164.02400	1.2
164.52516	0.4
167.01830	4.6
169.03421	1.9
171.05063	2.5
173.02954	22.0
173.53041	1.5
174.03069	0.5
175.04524	1.6
179.01622	2.1
179.03172	0.7
181.03389	0.5
182.03464	1.7
182.53564	0.6
185.02951	36.4
186.03145	0.7
187.04510	3.9
188.03365	0.6
191.03973	0.7
194.03482	1.3
194.53680	0.5
197.02936	13.6
199.04514	0.6
203.04004	16.0
203.54056	1.5
204.04218	0.9
208.04599	0.4
209.02911	1.3
212.04546	0.9
212.54758	0.6
215.03981	9.0
221.05013	1.0
224.04344	1.9
227.03987	7.8
239.04054	1.1
243.02023	0.6
245.05058	100.0
246.05293	1.8
254.05632	2.0
254.55708	1.3
255.01917	0.5
257.05063	5.2
263.06122	14.2
275.06110	10.3
275.08884	0.8
284.06635	5.6
284.56732	1.4
286.07782	0.5
287.05869	0.5
293.07190	4.5
305.07178	9.9
335.08276	3.3
347.08267	0.9
364.59204	0.4
365.09274	42.4
365.59311	1.4
366.09668	0.8
383.10345	4.4
401.11368	0.5
407.10236	0.8
425.11368	33.2
426.11652	1.5
437.11172	2.5
455.12457	1.9
500.90305	0.4
662.97925	0.4
739.74896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.9
55.05511	11.8
56.97904	0.9
57.03434	12.8
61.02937	1.1
65.03925	1.8
67.05496	18.8
69.03412	3.3
69.07057	6.5
70.99345	2.2
71.04980	3.6
79.05488	20.7
81.03413	82.4
81.07055	19.9
83.04973	9.9
83.08617	21.5
85.02896	13.3
85.06548	1.8
91.05478	26.9
93.07042	12.5
95.04964	30.6
95.08595	6.9
97.02892	2.4
97.06519	3.1
97.10150	6.0
103.05481	1.3
105.07028	19.7
107.04955	7.1
107.08598	6.8
109.06510	3.6
109.10142	4.4
111.04441	1.9
111.08070	8.9
113.06030	1.1
115.05438	1.8
116.92362	1.0
117.07014	3.1
119.04937	1.0
119.08581	16.9
121.06490	3.7
121.10158	5.9
123.08031	2.6
123.11634	2.0
125.09642	3.8
129.06992	11.4
131.05019	1.3
131.08560	13.5
133.06493	3.7
133.10130	9.3
135.08046	2.6
137.05984	1.4
137.09616	2.0
142.07802	3.0
143.08582	1.4
144.05626	1.0
145.06497	3.6
145.10117	2.1
147.04326	1.4
147.08026	4.7
147.11693	12.3
149.09637	5.6
157.06540	1.3
157.10133	10.5
161.09625	1.5
163.11232	2.3
165.12746	2.3
169.10161	1.2
171.07973	1.7
173.09589	1.2
175.11160	12.4
185.13249	1.0
189.11311	1.0
193.12227	34.7
205.12189	1.3
205.27200	1.1
211.13280	18.1
227.12653	1.4
229.14314	1.1
233.15248	1.5
249.14877	2.5
255.13873	1.5
267.15897	100.0
273.14813	3.8
285.10101	1.3
285.16959	18.5
299.15134	1.0
305.82318	1.1
323.19495	0.9
339.23184	1.2
341.21088	1.3
349.21649	3.4
367.22647	11.9
376.63358	1.0
385.23718	13.3
400.01852	1.1
403.24783	4.3
405.24161	1.6
415.24734	1.3
433.25815	12.0
441.26297	5.3
459.27393	61.9
460.27701	1.4
477.28461	42.0
478.28790	1.4
585.30621	1.1
680.98566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33185	0.8
53.00307	1.5
53.03937	2.8
55.01863	3.2
55.05257	1.1
55.05509	15.2
56.19925	0.8
57.03436	11.3
58.48636	0.7
59.04990	2.2
61.02917	3.2
65.03917	1.6
67.05497	19.6
69.03423	4.5
69.07054	5.0
69.29032	5.0
69.29449	2.6
69.95554	0.7
71.01352	1.2
71.04973	3.7
72.08128	1.5
73.02910	2.0
79.05486	20.0
81.03414	45.6
81.07052	25.0
82.07341	0.8
83.04972	10.3
83.08132	1.3
83.08617	22.0
85.02903	18.0
85.06549	2.6
87.50974	0.7
91.03947	1.7
91.05474	32.4
93.07037	15.6
95.04959	18.1
95.08593	8.9
97.02889	5.7
97.06512	3.6
97.10160	2.8
99.00804	12.8
99.04428	1.2
99.08105	1.3
101.02472	0.8
105.07021	22.4
107.04955	7.9
107.08578	9.1
109.02877	6.8
109.06503	5.1
109.10159	4.4
111.04440	2.8
111.08080	9.1
113.06010	1.6
115.03911	2.1
115.05459	1.2
117.07004	2.7
119.04964	1.4
119.08578	17.5
121.06496	6.5
121.10152	5.0
121.10890	0.8
123.04405	2.5
123.08079	1.7
123.11705	2.7
124.22289	0.7
125.09637	1.4
127.03893	2.8
128.06238	1.3
129.06985	6.8
131.08566	7.9
133.06479	3.4
133.10123	29.6
135.08049	1.1
135.11697	2.3
137.05946	1.6
137.09621	2.3
139.07526	1.7
142.07813	1.7
143.08546	3.9
145.10097	2.7
147.08044	3.3
147.11679	10.0
149.09615	3.9
151.11162	7.7
157.10133	8.9
161.09624	13.1
163.11201	3.0
165.05493	0.8
165.12726	2.1
171.08087	2.6
175.11185	10.3
177.76024	0.8
179.10704	6.5
189.09097	5.9
189.10631	1.0
193.12230	29.7
194.12558	0.9
197.11754	2.5
207.10226	2.8
211.13274	52.1
212.13652	0.9
219.13864	0.8
225.11189	8.9
227.12860	1.6
243.12289	2.3
249.14949	0.8
265.14246	1.6
267.09073	1.0
267.15903	20.7
281.13843	3.8
283.15405	3.6
285.10101	1.8
285.16949	42.6
286.17471	1.4
299.14868	59.2
300.15164	1.9
301.16415	1.4
310.96967	0.7
417.22424	0.9
445.25781	0.8
459.27325	4.1
463.26633	1.1
473.25351	2.4
477.28601	2.8
491.26321	18.7
495.29745	2.0
509.27432	100.0
510.27945	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	705.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	11.7
55.01872	14.8
55.05254	2.7
55.05505	37.9
56.39224	1.5
57.03427	15.4
57.07067	3.4
61.02904	6.0
61.69034	1.3
65.03925	7.5
67.05500	91.9
69.03427	26.1
69.07066	33.1
71.04990	10.1
73.02923	3.9
75.01179	1.5
78.34808	1.3
79.05485	67.1
81.03411	60.4
81.07052	100.0
83.01312	2.1
83.04973	22.1
83.08614	20.5
85.02892	14.6
85.06532	7.1
89.07374	1.8
91.03946	2.4
91.05474	63.5
93.07038	66.0
95.01287	1.9
95.04960	19.9
95.08600	49.1
97.02889	23.9
97.06525	19.9
97.10177	8.3
97.10712	1.5
99.04460	9.0
99.08073	5.0
101.02345	3.4
103.05485	3.2
105.04511	1.5
105.07022	49.0
105.08087	2.1
107.04934	15.2
107.07854	2.8
107.08586	45.7
107.12040	1.5
109.02896	11.4
109.06511	14.0
109.10153	20.2
111.04440	8.9
111.08064	8.4
115.05427	3.8
117.07008	27.4
119.04931	1.5
119.08576	36.7
121.06512	7.0
121.10130	24.6
123.04465	3.0
123.08036	7.6
123.11715	9.7
125.09637	4.9
127.03925	15.3
128.06230	4.0
129.05470	5.8
129.06996	15.4
130.07835	1.6
131.04988	3.0
131.08563	34.2
133.06447	4.1
133.10112	38.4
135.04428	1.9
135.08023	7.5
135.11688	17.1
137.09621	4.8
139.11197	2.6
141.06969	6.3
142.07759	3.4
143.08549	12.8
144.09283	1.9
145.06451	5.2
145.10120	27.3
147.08034	4.0
147.11673	29.1
149.05988	2.0
149.09615	15.1
149.13261	17.7
151.11165	4.4
154.07745	2.0
155.08560	9.2
157.10106	13.9
159.08073	3.7
159.11679	26.5
161.09615	6.0
161.13248	7.2
163.07559	1.9
163.11145	8.0
165.06990	1.8
165.12794	5.3
167.08508	4.8
168.09398	1.5
169.10117	7.0
171.08168	2.0
171.11658	11.5
173.04468	17.6
173.09590	6.8
173.13245	9.9
175.11182	6.3
175.14803	2.2
177.12747	6.3
179.08580	1.9
179.14346	4.1
181.10043	3.6
183.11681	4.5
185.09605	2.0
185.13197	3.8
187.11172	3.1
187.14787	2.7
189.11273	1.9
189.12730	2.8
193.10190	1.9
193.12129	3.8
195.11719	4.9
195.13792	9.1
197.09715	2.9
197.13260	8.8
199.06062	2.9
199.11182	2.3
199.14827	3.7
201.12810	3.3
203.14333	1.7
209.11615	4.2
209.13373	3.9
213.14687	2.0
221.13417	1.9
227.12733	2.7
229.14244	2.2
229.19579	2.0
233.15414	2.3
239.17979	4.0
245.19418	1.8
247.20547	3.7
257.19028	8.5
267.15991	8.5
269.17410	23.3
273.18451	3.0
275.17099	1.8
275.20047	50.7
291.19632	2.4
293.21179	3.0
299.20016	2.0
303.15842	3.3
313.21487	2.6
321.16122	1.6
331.22586	3.5
339.18005	4.9
339.23218	2.5
349.23730	23.3
365.21094	2.4
377.19467	2.1
385.23483	1.7
395.20648	4.1
398.96304	1.7
413.21646	6.1
433.30984	4.2
451.32144	8.5
458.05396	1.7
461.99136	2.0
463.30643	3.9
469.33020	4.3
493.27881	3.1
507.34811	2.1
515.37195	5.6
525.35870	22.5
543.36761	64.6
544.36646	2.3
561.37610	4.2
607.34625	4.4
623.39032	2.1
651.38696	3.8
669.39636	5.4
671.44196	1.7
687.41022	19.9
705.42004	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	705.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
54.28932	1.1
55.01857	4.7
55.05510	16.2
57.03436	7.0
57.07062	1.7
58.43510	1.1
59.04997	1.2
61.02918	9.8
65.03928	1.8
67.05169	2.6
67.05502	33.3
69.03426	13.9
69.07072	10.7
71.04986	5.0
71.99715	1.2
73.00444	1.3
73.02920	6.8
79.05489	25.5
81.02970	1.8
81.03414	22.9
81.07053	31.0
83.04977	7.8
83.08607	8.6
85.02898	14.5
85.06543	3.4
85.56114	1.2
91.03929	3.3
91.05475	26.6
91.06014	2.6
93.07038	25.8
95.04970	7.6
95.08604	18.1
97.02896	14.7
97.06531	4.0
97.10171	7.3
99.04454	3.5
99.08060	2.0
102.48345	1.1
105.07024	21.8
107.04948	5.2
107.08595	15.3
109.02847	3.5
109.06516	3.9
109.10159	10.7
111.04420	3.4
111.08052	4.1
115.05454	2.4
117.07005	12.1
119.08575	17.1
121.06504	4.1
121.10152	8.4
123.04433	1.2
123.08057	3.9
123.11646	2.4
125.09630	5.7
127.03895	6.4
128.06145	2.4
129.05461	1.3
129.07010	9.3
131.00276	1.1
131.08560	15.4
133.06482	2.5
133.10126	14.2
135.08061	3.4
135.11700	6.0
141.06966	3.8
142.07677	2.2
143.08531	11.4
145.06445	1.8
145.10126	10.6
147.08046	2.8
147.11691	9.8
149.09628	3.6
149.13231	3.4
154.68758	1.2
155.08554	5.7
157.06519	3.1
157.10115	11.8
159.08049	2.1
159.11702	10.2
161.09631	2.7
161.13242	4.2
162.59145	1.2
163.11201	4.1
165.35890	1.3
167.08614	3.6
169.10078	7.1
171.08064	2.8
171.11661	7.2
173.04514	1.3
173.09583	3.2
173.11932	1.8
173.13205	6.2
175.11168	4.8
175.14796	2.6
177.12759	1.5
181.10155	2.6
182.10938	1.4
183.11728	5.8
185.13264	6.7
187.14815	3.8
189.11171	1.5
193.10310	2.1
193.12271	5.8
195.11665	3.5
197.13272	3.9
199.11116	1.6
199.14818	3.5
208.35576	1.3
209.13269	3.4
211.11394	1.9
211.13141	6.9
213.12729	1.8
223.14784	1.5
227.12726	2.6
229.99782	1.3
239.18007	1.5
241.19536	3.4
257.18918	2.2
259.20547	7.2
267.15912	2.6
275.20081	5.5
281.10522	3.1
283.20462	1.3
285.17023	1.9
291.19690	1.2
297.18204	1.1
297.22006	2.6
299.11591	1.8
299.23645	4.5
301.21759	2.2
333.24152	4.6
335.26056	1.4
349.23801	2.2
351.96661	1.4
357.24368	2.2
415.29852	1.6
421.25809	2.4
433.30911	5.3
451.31927	8.5
469.32968	2.6
499.18433	5.7
515.37225	2.2
525.35754	19.6
527.64117	1.3
540.35858	1.3
543.36786	100.0
544.37213	3.0
561.36768	1.4
567.36462	2.1
651.38861	4.3
669.39301	3.3
687.40912	9.6
705.31976	48.7
705.41968	15.0
706.31781	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	704.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01870	2.0
55.05509	9.4
57.03444	3.6
57.07060	0.8
59.04985	0.5
59.15958	0.5
61.02907	0.8
65.03933	1.6
67.05502	38.0
68.02107	0.5
69.03419	1.2
69.07069	6.7
69.34401	1.9
69.34820	2.8
71.04988	13.6
73.02888	0.6
73.06551	0.9
79.05489	34.4
81.03416	4.7
81.07053	48.0
83.04629	0.5
83.04992	5.6
83.08619	5.0
85.02884	1.1
85.06540	4.3
89.80192	0.5
91.05479	27.6
93.07040	31.0
95.04972	9.7
95.08605	14.1
97.02883	1.0
97.06499	3.2
97.10166	1.8
99.08105	1.4
105.04524	1.0
105.07026	19.7
107.04989	2.7
107.08586	11.2
109.06506	3.4
109.10148	4.5
111.08097	1.2
114.16656	0.5
115.05429	0.6
117.07014	5.0
119.08578	10.1
121.06516	1.4
121.10129	4.8
123.08066	1.8
123.11672	4.1
127.07536	0.6
128.06223	1.3
129.06999	6.4
131.08563	3.7
133.10130	9.9
135.11678	2.4
143.08569	3.2
145.10120	4.1
147.07980	1.1
147.11684	11.4
149.13240	3.8
151.11140	2.6
159.11633	2.9
161.09702	1.2
161.13232	3.9
169.10062	0.6
171.11679	8.8
177.12769	0.9
183.13817	1.8
187.13309	1.3
189.12711	2.6
193.12148	0.5
195.13762	1.0
207.13774	8.6
213.14902	0.6
225.14903	1.3
244.42635	0.5
251.16409	1.1
257.17447	1.2
269.17450	4.2
281.17441	10.8
285.72073	0.5
301.20029	6.8
370.21021	0.5
403.28641	0.9
445.24585	0.7
449.28979	24.4
450.29376	0.9
457.29236	1.1
463.30548	3.8
475.30533	100.0
476.31070	3.3
507.33136	16.9
508.33154	0.7
520.80927	0.6
619.34766	0.6
651.37036	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	705.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01862	3.5
55.05511	13.5
56.96551	1.3
57.03442	5.5
57.07071	0.9
59.04972	0.8
61.02925	6.9
62.00344	0.7
65.03915	1.5
66.21654	0.7
67.05503	26.5
69.03423	8.2
69.07065	8.1
70.11523	3.9
71.01343	1.0
71.04985	3.4
73.02915	4.6
77.06395	0.7
79.05488	21.5
81.03416	16.0
81.07059	25.3
83.04980	4.5
83.08612	8.5
85.02901	8.7
85.06522	1.4
87.66432	0.7
91.03939	4.8
91.05474	14.3
93.07038	17.4
95.04977	7.4
95.08599	13.2
97.02881	8.2
97.06541	2.0
97.10173	7.7
99.04445	2.3
105.07021	13.8
107.04942	4.0
107.08603	12.3
109.02867	2.6
109.06516	3.6
109.10156	9.0
111.04420	2.0
111.08087	1.4
112.99155	0.7
115.05440	1.8
117.07010	8.4
119.08575	12.8
121.06482	4.5
121.10128	7.4
123.08049	1.7
123.11710	1.8
125.09625	6.5
127.03901	3.0
128.06168	1.9
129.05493	1.0
129.06979	7.9
130.07802	1.3
131.00172	1.2
131.08565	12.8
133.06473	1.2
133.10117	8.5
135.08078	4.0
135.11667	3.9
137.09631	2.1
141.07007	2.0
142.07771	1.0
143.08536	7.3
145.06490	2.0
145.10112	10.5
147.08012	1.9
147.11674	6.4
149.01170	1.0
149.09610	2.9
149.13246	2.6
151.11160	0.8
153.09100	1.2
155.08566	4.2
157.06409	1.3
157.10132	6.6
159.08049	1.7
159.11674	7.6
161.09654	2.1
161.13304	3.0
163.11227	1.8
165.12776	0.8
167.08560	2.8
169.10081	5.3
171.08034	2.3
171.11664	6.6
173.04489	1.1
173.09653	1.7
173.11913	1.2
173.13194	4.4
175.11163	2.1
175.14879	1.1
177.12770	1.5
181.10147	2.1
183.11720	4.5
185.09587	1.5
185.13219	4.8
187.11198	2.1
187.14819	1.9
189.11270	3.9
189.12700	1.2
191.08624	0.8
191.10567	0.8
191.14395	0.9
193.10167	1.4
193.12245	1.9
195.11681	2.5
195.13484	0.8
197.13239	3.4
199.11241	1.0
199.14854	2.5
201.12805	1.6
207.11850	1.0
209.13223	2.3
211.13174	1.7
213.12727	0.9
213.16394	1.3
221.13232	1.3
223.11401	0.9
223.14987	1.3
227.12672	4.9
241.19649	1.8
245.13432	0.9
247.16980	1.3
257.19049	1.3
259.20706	1.6
263.09595	1.3
271.12357	0.9
271.20462	1.0
275.20145	5.9
281.10623	3.8
283.20456	1.9
297.22177	1.6
299.11658	3.5
299.20316	1.5
299.23727	5.5
313.21622	1.0
315.23148	0.9
323.11652	1.2
325.21573	1.1
327.23190	1.0
329.21072	0.9
333.24271	1.5
339.23395	1.0
343.23032	1.3
345.24487	0.9
349.23703	1.3
353.24921	1.1
357.24429	1.3
367.22598	1.0
403.24774	1.2
415.30225	1.0
417.25925	1.1
421.25757	3.5
423.32690	1.6
433.31186	3.9
435.27216	2.5
451.32181	5.1
469.33279	3.1
481.17844	2.2
499.18622	6.7
507.34894	1.4
515.37329	1.3
525.28461	1.2
525.35828	17.2
541.34369	1.6
543.36823	77.8
566.78082	0.8
567.37177	1.1
585.37671	2.6
613.37903	1.2
633.37189	1.9
651.38483	2.1
669.39844	2.4
687.40930	5.0
704.40344	0.9
705.32147	100.0
705.41461	7.6
706.32709	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	704.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78472	2.2
53.03935	10.6
55.01874	19.4
55.05510	32.8
57.03434	18.5
57.07062	3.0
59.04994	3.1
61.02919	6.9
62.06078	4.2
65.03928	4.6
65.47820	2.3
67.05501	81.8
69.03429	11.5
69.06773	2.3
69.07073	21.0
71.01341	3.2
71.04978	10.3
72.08169	3.3
73.02927	5.1
73.06550	2.7
79.05492	100.0
81.03414	37.0
81.07054	75.8
82.04192	8.0
83.04984	31.7
83.08632	16.7
85.02879	10.0
90.18115	2.4
90.32306	2.3
91.05476	80.9
93.06467	5.2
93.07040	89.8
95.04964	38.2
95.08604	33.2
97.02886	10.8
97.06535	15.3
97.10155	14.0
98.07287	5.9
99.04448	4.5
105.07028	49.9
107.04953	22.2
107.08601	32.6
109.02893	3.0
109.06519	12.8
109.10158	18.3
111.04437	3.0
111.08058	10.2
111.45531	2.3
115.05424	4.0
116.04705	8.6
117.07001	17.0
119.08574	29.8
121.06514	8.3
121.10133	12.9
123.08014	13.9
125.09628	14.2
127.03915	3.7
128.06261	3.3
129.05499	27.0
129.06998	21.1
131.08575	14.6
133.06470	4.1
133.10126	22.8
135.08060	5.1
135.11664	9.5
137.09618	2.9
140.26028	2.4
141.06996	3.1
143.07069	5.6
143.08537	8.7
145.10110	22.8
147.08026	7.5
147.11687	46.6
149.09605	3.6
149.13280	3.7
153.12758	4.3
157.08595	13.2
157.10036	5.2
158.05682	2.5
159.11671	4.1
161.09570	6.0
161.13258	13.6
163.11195	15.7
171.10243	6.0
171.11678	23.1
173.11726	3.3
175.11162	5.4
181.12119	4.4
189.11209	6.0
189.12721	10.8
191.10645	3.4
193.12192	3.9
199.13326	7.1
207.13803	24.3
209.11664	5.0
211.13292	3.1
220.21249	2.6
227.12762	13.2
264.42178	2.5
265.14310	4.2
267.15881	7.2
269.17407	5.2
275.20120	5.8
276.20364	3.3
281.17459	58.3
283.15427	8.9
301.16437	59.4
329.41675	2.7
335.18445	4.1
359.92004	2.5
406.28461	2.7
435.27298	12.5
449.28452	2.7
473.28891	8.0
475.30460	10.9
489.28033	7.7
490.28946	5.8
507.29355	84.9
508.29715	2.5
542.35175	5.0
704.40271	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	703.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.7
53.03944	16.7
54.41838	2.3
55.01869	9.0
55.05509	35.5
55.94484	2.1
57.03435	19.8
57.07076	4.6
59.03612	2.0
59.20193	2.3
59.38552	2.2
65.03932	5.4
67.05500	97.4
69.03429	33.2
69.07068	25.7
69.43362	19.4
71.04977	8.9
72.08147	9.7
73.02891	2.3
79.05489	100.0
81.03060	1.2
81.03412	58.2
81.07050	90.7
83.04977	21.5
83.08604	15.8
85.02905	22.1
85.06557	4.3
87.04486	2.8
91.05474	86.7
93.07037	96.2
95.04964	27.6
95.08600	56.6
97.02878	13.4
97.06514	7.8
97.10173	5.3
98.21534	4.6
99.04452	5.9
103.05465	3.1
105.04552	4.9
105.07022	58.6
107.04961	16.4
107.08587	37.0
109.02875	5.1
109.06543	8.6
109.10156	20.6
111.04446	5.2
111.08056	4.6
113.09622	3.0
115.05454	6.8
117.06987	29.9
119.04923	2.4
119.08566	37.5
121.06515	9.6
121.10135	25.2
123.04446	4.6
123.08080	5.5
123.11721	5.8
127.03908	11.1
128.06232	7.3
129.05495	5.2
129.07002	31.7
131.08565	30.5
133.06508	10.6
133.10123	26.1
135.08023	3.8
135.11676	13.9
141.06978	5.3
143.08572	15.9
145.06479	9.4
145.10110	17.6
147.08047	7.2
147.11697	30.3
149.09619	3.3
149.13286	10.6
155.08565	7.7
157.06471	2.6
157.10115	11.3
159.08054	7.5
159.11694	10.2
161.09621	5.8
161.13260	11.7
167.08542	6.9
169.10107	2.7
170.05766	3.4
171.08020	5.8
171.11662	24.5
173.04529	5.5
173.13263	9.2
175.14816	4.3
177.12831	3.8
179.14281	3.1
181.10086	5.1
183.11723	6.1
185.09563	4.6
185.13242	5.8
187.15007	2.4
189.12761	8.4
193.10268	2.8
193.12372	3.1
199.14870	3.6
201.12810	3.0
207.13783	20.3
223.14732	3.3
225.14780	3.8
241.15761	5.8
243.21109	4.4
251.14206	4.4
259.16971	10.6
259.20529	3.9
261.22159	8.7
269.15372	7.7
281.17505	26.9
287.16397	15.9
305.17587	2.6
335.25757	68.1
351.17990	2.9
361.20172	3.8
369.24326	3.9
407.20761	2.9
425.21729	11.6
541.38928	47.4
555.40253	4.6
634.69678	2.7
685.42578	5.4
703.41656	4.2
703.49512	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	702.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05518	5.4
57.07074	9.3
66.07716	1.0
67.05505	10.5
69.07059	6.7
70.06579	2.1
71.08636	7.6
71.60077	1.6
72.08154	55.4
79.05483	6.6
81.03414	16.8
81.07055	13.9
83.08636	7.2
85.10174	3.3
89.06032	1.7
91.05473	5.5
93.07042	5.6
95.04954	4.6
95.08598	10.6
97.10170	3.2
105.07022	2.5
107.04922	1.2
107.08589	4.4
109.10142	4.4
111.08070	2.9
119.08591	2.9
121.10138	3.7
123.11680	1.1
129.06979	2.1
131.08553	3.1
135.11676	2.5
149.13275	2.7
159.11711	1.4
170.05769	28.7
175.11177	1.4
189.26820	0.9
193.12239	4.7
227.20190	1.1
249.14862	2.1
253.21889	1.1
388.47531	1.0
533.42004	100.0
534.42273	3.9
702.32104	1.6
702.49585	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	703.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01580	1.6
51.02375	2.3
53.03940	13.9
55.01853	5.3
55.05506	31.3
57.03432	19.5
57.07074	3.3
61.02908	2.5
61.74730	1.3
65.03922	5.8
67.05496	96.5
69.03072	2.1
69.03425	31.1
69.07063	23.8
71.04982	8.0
72.08128	2.4
73.02901	2.2
77.03951	1.5
79.05483	100.0
81.03411	51.2
81.03812	1.4
81.07047	80.5
83.04971	20.7
83.08601	11.3
85.02895	18.7
85.06534	5.4
91.04884	3.1
91.05468	78.3
93.07031	90.5
95.04957	25.4
95.08597	57.9
97.02868	11.2
97.06496	7.3
97.10142	2.8
98.20733	4.0
99.04431	5.5
99.08088	3.2
101.02358	1.8
101.05885	1.5
103.03941	2.1
103.05447	2.5
105.04532	3.0
105.07017	54.7
107.04932	10.8
107.08582	33.2
109.02863	6.5
109.06499	7.6
109.10150	19.0
111.04433	3.8
111.08091	3.3
115.05446	6.2
116.06174	1.3
117.07001	22.6
119.08563	33.0
119.09346	2.6
121.06480	7.3
121.10130	21.4
123.08041	5.1
123.11696	5.5
127.03918	7.2
127.07561	1.6
128.06201	5.7
129.05455	5.0
129.06987	24.9
130.07849	1.6
131.03340	2.0
131.04903	4.5
131.08549	26.6
133.06467	5.2
133.10104	19.1
135.08044	5.7
135.11676	10.7
137.09566	2.5
141.06960	5.1
142.07764	2.1
143.08524	14.3
145.06491	7.0
145.10109	18.9
147.08028	4.9
147.11659	21.1
149.05995	2.2
149.09613	2.2
149.13225	6.0
155.08601	4.9
156.09302	1.6
157.06482	3.5
157.10115	6.0
159.08051	7.1
159.11699	6.3
161.09607	5.8
161.13210	13.2
165.06926	1.4
167.08521	2.9
169.10107	3.5
171.08044	4.2
171.11684	21.6
173.04439	5.0
173.13210	6.8
175.07536	1.6
175.14859	3.4
177.12746	3.1
179.14244	2.2
181.10092	3.4
183.06531	1.9
183.08144	1.5
183.11676	2.7
185.09558	1.6
185.13254	4.7
187.11122	2.4
189.12753	7.2
193.02449	1.4
207.13770	13.4
211.14807	1.4
213.16481	1.9
213.19246	1.5
221.15369	2.4
223.14803	1.9
225.14763	2.9
227.14398	2.2
241.15910	2.7
243.20999	3.1
245.15417	1.8
251.14293	3.2
259.16919	4.6
259.20682	1.4
261.22162	8.1
269.15326	6.4
279.15903	2.0
281.17422	16.8
287.16360	12.9
291.19702	1.6
305.17535	1.9
315.15875	2.2
333.16885	1.6
335.25754	68.4
340.42990	1.4
351.17920	3.9
361.20010	3.3
379.21362	1.6
397.49719	1.7
407.20557	1.5
425.21622	6.9
541.38831	43.3
555.40540	3.0
583.39270	2.4
621.41168	3.7
660.97668	1.6
685.42914	2.4
703.43707	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	702.297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38904	0.4
52.76656	0.3
57.03428	0.4
58.56834	0.3
60.63128	0.3
61.02920	0.7
67.05494	0.3
69.03433	1.4
69.88514	0.3
71.04993	0.5
71.32706	0.4
71.33035	0.5
73.02900	0.3
79.05492	0.8
81.03417	1.1
81.07057	0.4
85.02900	5.5
91.05479	6.3
95.04958	1.6
97.02892	1.5
97.92872	0.3
98.97620	0.3
99.28346	0.3
103.05478	0.9
103.73962	0.3
105.07025	1.1
107.04957	1.4
109.02870	0.4
109.06514	1.0
111.04420	0.7
115.05453	0.6
117.07062	0.4
117.26359	0.3
119.04937	5.6
121.02839	0.5
121.06488	2.1
122.03650	1.9
123.04455	0.4
123.08068	0.6
125.05976	0.4
127.03931	1.1
128.06213	0.7
129.07007	4.5
131.04927	2.8
131.08556	0.8
133.06462	0.6
135.08067	1.4
136.05228	1.1
137.05974	28.5
141.06979	0.4
143.04921	0.8
145.04965	0.8
145.06500	1.4
146.03635	0.3
147.04408	1.4
147.08006	0.6
149.05991	5.2
151.03934	1.1
151.07539	40.7
153.01897	1.7
153.02950	0.3
157.06488	4.6
158.07233	0.4
159.08066	0.4
161.05975	5.1
161.09615	1.0
163.03920	0.4
163.06323	0.4
163.07541	10.9
165.06993	1.2
165.09119	1.7
166.07831	0.4
167.07158	0.7
167.08574	2.8
174.06752	3.2
175.07553	3.2
177.09100	5.2
178.07800	0.9
179.08511	0.6
179.23694	0.3
181.06456	0.3
182.07332	0.4
187.07472	0.6
189.09106	15.1
191.10672	0.6
193.06418	1.5
193.10107	2.1
194.07301	0.3
195.08055	8.1
195.09746	0.3
197.05995	0.6
197.09636	0.5
201.09177	0.4
202.07692	0.4
203.08557	0.9
205.06218	0.3
207.08162	0.7
207.10172	2.8
209.05867	0.3
209.09651	1.1
210.06729	1.3
211.07584	0.7
212.08356	1.1
219.10167	5.1
221.06042	3.2
221.09579	3.8
221.11688	0.8
222.06619	0.5
223.07542	5.1
224.08299	0.9
225.05408	0.3
225.09088	3.1
227.07234	0.6
227.10657	13.1
234.06718	0.4
235.07561	0.5
237.09050	1.6
238.06238	0.9
239.06914	0.6
239.10690	0.9
240.07869	1.2
241.08546	0.4
241.12280	0.8
249.09093	2.1
250.10010	0.6
252.07837	1.1
253.08604	5.1
253.12231	6.1
253.14815	0.4
254.12146	0.4
255.10152	12.8
265.08603	0.4
266.09412	0.5
267.10153	3.0
269.08032	1.4
269.11597	0.7
270.08945	0.6
272.10410	1.3
281.11639	2.5
284.10352	0.9
285.11218	8.7
287.12775	21.0
297.11185	0.8
298.12125	0.7
299.12866	1.4
301.14413	0.7
311.12781	0.7
313.14322	16.3
331.15390	100.0
332.15768	0.7
343.15417	3.5
355.15311	0.4
557.09601	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	2.4
51.46307	1.4
53.03940	16.7
55.01865	12.9
55.05506	36.2
57.03429	21.7
57.07066	4.4
59.04979	1.7
61.02925	18.6
65.03932	7.0
67.05500	76.7
69.03424	45.2
69.07061	22.2
71.01347	2.5
71.04990	13.9
71.60129	3.1
72.05330	1.7
73.02908	13.5
74.97716	1.7
75.04517	1.5
77.03958	1.7
79.05487	76.3
80.64111	1.6
81.03412	80.8
81.07052	76.4
83.04973	24.9
83.08611	17.3
85.02892	26.8
85.06534	6.4
87.04485	1.8
91.03964	7.2
91.05474	83.3
93.07038	70.7
95.01327	2.6
95.04964	26.1
95.08599	59.2
97.02884	37.4
97.06536	8.7
97.10175	9.9
99.04436	11.8
99.08066	3.2
101.02390	3.2
103.04002	2.6
103.05490	4.1
105.04527	2.6
105.07023	60.3
107.04947	13.9
107.08590	33.6
107.09267	2.1
109.02866	13.9
109.06534	11.7
109.10143	18.4
111.04469	4.8
111.08097	4.9
113.09632	1.5
115.05460	8.0
116.06279	1.9
117.07010	39.1
117.07850	2.6
119.04947	1.9
119.08572	48.6
121.06487	8.6
121.10126	17.2
123.04445	2.9
123.08044	9.0
123.11719	2.7
125.09630	4.6
127.03921	16.8
128.06190	11.7
129.05559	8.8
129.06993	36.3
129.07903	2.6
130.07817	4.1
131.04912	1.7
131.08562	39.9
131.20959	1.6
133.06491	5.5
133.10124	29.5
135.04424	1.6
135.08076	6.8
135.11693	12.8
137.05922	2.0
137.09648	4.4
141.06967	14.9
142.07814	6.0
143.08553	36.2
144.09270	2.3
145.05040	1.5
145.05437	1.8
145.06508	10.8
145.10112	39.6
147.08099	6.5
147.11678	24.9
149.02431	2.4
149.05992	2.2
149.09641	5.9
149.13287	5.2
151.11217	3.3
153.06996	4.8
154.07796	4.9
155.08539	27.4
155.09674	1.9
156.09413	5.0
157.06494	2.7
157.10103	29.6
159.08052	7.8
159.11674	24.1
161.05949	1.9
161.09636	5.6
161.13239	12.1
163.11208	2.8
165.07060	6.2
165.09171	2.1
166.07854	4.8
167.08578	14.8
168.09383	5.5
169.10106	32.7
170.10928	3.1
171.08153	4.2
171.11679	31.1
173.04451	28.9
173.09628	3.2
173.13234	14.2
175.11200	2.9
175.14838	3.6
177.09213	1.8
177.12779	4.2
178.07805	1.8
179.08516	8.7
180.09372	4.5
181.10097	23.8
182.10977	4.6
183.08142	1.9
183.11685	27.5
185.09680	6.6
185.13246	18.0
187.11258	4.6
187.14890	6.3
189.12791	4.4
191.08551	1.9
192.09360	1.9
193.10109	10.6
194.10822	3.4
195.08153	2.1
195.11690	18.9
197.09602	2.8
197.13246	17.8
199.05948	3.4
199.11224	3.8
199.13269	1.9
199.14793	8.1
199.16985	1.6
201.12814	4.1
201.16483	3.0
203.14386	1.8
205.10152	5.0
206.10931	2.5
207.11726	10.4
207.13861	9.4
209.09865	1.8
209.13266	20.1
211.11218	3.7
211.14754	8.5
213.12854	3.7
213.16452	4.3
215.14487	1.9
217.10100	2.9
219.11758	4.6
219.13802	2.1
221.13252	10.3
223.14742	10.3
225.12822	3.0
225.16519	6.0
229.10254	2.0
231.11754	2.0
233.13348	6.5
235.14900	6.4
237.16524	4.3
239.18040	2.9
241.12291	2.1
241.16002	2.1
241.19637	3.6
245.13329	3.1
247.14908	2.8
249.12622	1.9
249.16533	4.8
251.14365	3.7
251.17943	2.5
257.19080	4.6
259.20654	5.2
262.31290	1.8
263.18106	1.7
265.16104	1.8
269.15494	1.8
271.20624	3.4
273.22263	1.9
275.20309	2.4
279.16064	5.7
281.17401	15.4
283.20703	2.6
287.20380	2.2
289.21906	2.4
295.20517	3.6
299.20428	2.3
307.20493	3.4
309.22079	2.8
313.21725	4.2
315.23227	2.9
321.22263	4.7
325.21854	3.8
333.24432	2.8
335.20181	1.7
335.23712	2.4
339.23285	2.4
341.24835	3.8
349.21695	4.5
365.24725	1.8
367.22787	5.5
385.23914	2.1
403.25284	2.3
429.31763	3.9
435.57407	1.7
437.34476	3.7
441.26544	2.0
445.31113	2.8
447.32474	19.5
459.27097	2.4
465.33716	12.0
471.32397	1.9
477.28333	2.8
483.34628	5.4
485.33167	2.5
489.33398	2.1
497.33514	1.8
513.35419	4.3
521.36322	8.3
527.36871	3.6
529.39032	6.2
537.35437	4.9
539.37408	100.0
540.38165	2.0
541.38892	4.4
551.37500	3.0
557.38208	11.8
563.37714	2.0
573.36407	2.3
581.38373	6.0
593.38788	2.6
605.38629	1.9
609.38086	1.9
619.39453	3.1
623.39679	3.9
629.38733	3.8
647.39594	10.2
655.42651	2.1
665.40289	8.5
683.41486	13.3
701.42548	96.7
702.40881	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01850	0.9
55.05507	10.6
57.07056	2.8
67.05501	17.2
69.03429	1.5
69.07065	13.9
69.13026	0.7
69.50816	7.7
70.06583	1.9
71.04980	1.3
71.08637	1.4
72.08153	57.1
74.91279	0.8
79.05490	10.6
81.03415	34.5
81.07053	19.9
83.04972	0.9
83.08613	14.6
91.05469	10.7
93.07034	9.1
95.04967	10.1
95.08603	13.6
97.10167	3.9
98.20721	1.7
105.07021	5.3
107.04938	2.5
107.08595	4.5
109.10174	4.6
111.08081	3.2
111.11678	1.3
117.06998	1.1
119.08576	3.8
121.10132	5.9
123.08075	1.4
123.11709	1.6
129.07027	4.3
131.08568	3.3
133.10103	2.0
135.11678	3.8
139.13202	0.9
147.07994	1.8
147.11684	2.6
148.02757	0.9
149.09612	1.4
149.13275	1.3
157.10141	3.4
170.05768	30.1
170.48984	0.9
175.11182	1.8
187.43456	0.9
193.12270	7.1
200.49532	1.0
243.15916	2.2
249.14905	2.5
264.95245	1.0
265.25266	2.1
309.30127	1.0
335.25726	2.1
461.24164	1.0
503.37442	1.6
531.40448	100.0
532.40424	1.9
550.80914	1.0
553.59491	0.9
700.42944	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70266	0.9
53.03943	1.6
55.05510	11.7
57.03442	1.6
57.07067	3.4
62.58299	1.0
65.03934	1.4
67.05504	22.4
69.07066	15.9
70.06595	1.8
71.04991	1.9
71.08633	2.9
71.60164	1.4
72.08154	69.3
79.05490	10.4
81.03416	33.2
81.07053	21.3
83.04977	1.7
83.08613	13.2
85.02988	1.1
85.06551	2.1
91.05487	10.3
93.07051	8.6
95.04962	10.3
95.08604	19.7
97.06538	1.2
97.10175	4.5
105.07050	6.0
105.07660	1.1
107.04979	2.1
107.08585	6.4
109.10163	7.2
111.08086	2.1
111.11686	1.2
115.05473	1.2
119.08587	6.5
121.10148	6.8
123.08067	1.3
123.11726	2.8
125.27221	1.3
129.07014	4.1
131.08572	2.9
133.10124	2.0
135.11714	3.3
147.11710	2.3
149.13281	1.7
157.10153	3.6
170.05772	31.9
173.90863	1.3
175.11177	2.8
193.12254	7.5
210.84460	1.2
243.15964	4.8
249.14867	1.9
335.25797	3.7
339.34943	1.3
503.37595	2.6
524.39990	2.6
531.40466	100.0
532.40546	3.5
657.87543	1.1
700.42834	8.7
720.55878	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01865	2.0
55.05509	10.7
56.05050	1.0
56.62864	1.0
57.03440	1.9
57.07072	1.6
57.18561	0.9
65.03947	2.4
67.05505	44.5
69.07064	15.0
70.06579	2.4
71.04976	1.4
71.08618	1.4
72.08154	94.4
79.05495	16.5
81.03419	5.9
81.07058	44.1
83.04967	2.4
83.08627	8.1
85.06532	1.3
91.05480	9.4
93.07039	25.1
95.04965	5.0
95.08605	21.1
95.09231	1.1
97.06546	2.8
97.10185	1.9
105.06323	1.4
105.07011	6.1
107.08587	13.2
109.10178	6.5
111.08105	2.6
117.07031	3.1
119.08600	3.3
121.10150	5.8
123.11710	3.0
131.08585	3.2
133.10168	5.1
135.11682	2.9
147.11604	1.4
149.13271	7.4
153.12854	1.2
159.11725	2.4
161.13283	1.2
170.05769	19.8
177.12770	1.2
190.38254	1.0
195.13759	2.9
203.03227	0.9
213.14838	1.2
263.23724	1.8
312.33060	1.0
424.52048	1.2
531.40442	100.0
532.40234	2.9
700.43274	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	4.4
55.01859	5.6
55.05511	23.8
57.03438	21.3
57.07070	56.3
58.06583	3.3
67.05496	40.7
67.55435	3.7
69.03423	9.8
69.07057	17.2
71.01353	6.6
71.04988	5.4
71.08268	5.3
71.08624	41.3
72.08176	3.8
79.05496	29.0
81.03416	100.0
81.07047	57.3
83.04958	14.9
83.08613	32.3
85.02895	30.8
85.10187	17.8
91.05479	36.3
93.07031	24.6
95.01308	12.2
95.04964	36.8
95.08598	43.5
97.02876	17.3
97.06542	3.8
97.10162	15.1
98.20708	7.0
105.07020	26.4
107.04937	9.2
107.08573	8.5
109.06496	6.2
109.10147	15.5
111.04424	9.3
111.08051	12.0
113.02319	5.1
115.05408	4.1
119.08569	21.6
121.06452	4.8
121.10142	9.3
123.11705	7.3
125.02339	9.9
125.13296	3.6
129.06989	14.3
131.08565	17.1
133.10118	10.6
141.01814	27.7
142.07790	4.3
145.10172	4.6
147.08011	5.0
147.11673	25.1
149.09622	12.6
157.10092	16.8
163.11230	3.9
175.11188	25.5
191.10692	4.2
193.10623	5.1
193.12244	60.9
211.13290	67.6
227.12798	8.2
229.80443	4.1
239.23659	11.3
249.15051	3.9
267.15891	54.3
285.16940	15.3
313.27335	87.1
369.15369	6.9
443.19006	12.1
505.38922	34.8
523.39825	83.4
544.40735	4.8
699.43048	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	699.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.3
55.01871	0.5
55.05504	1.2
57.03428	1.3
59.05001	0.5
61.02923	3.2
67.05502	3.1
69.03430	2.2
69.07054	0.9
70.73556	0.6
70.73921	0.6
71.01363	0.3
71.04987	1.2
73.02914	1.9
77.74317	0.3
79.05484	2.7
81.03409	3.0
81.07056	2.2
83.04985	0.9
83.08614	0.9
85.02908	3.7
87.04476	0.5
91.03967	2.4
91.05468	2.2
93.07047	3.0
95.04970	1.2
95.08603	0.9
97.02885	2.7
97.06540	1.0
97.10182	0.5
99.04472	0.7
101.02386	1.1
103.03928	0.4
105.07018	1.7
107.04987	0.5
107.08604	1.9
109.02879	0.8
109.10165	0.6
110.55815	0.3
111.08104	0.3
119.08593	1.0
121.10150	1.3
121.28630	0.3
123.08076	0.3
127.03907	1.2
127.61453	0.4
129.06995	0.8
131.08585	0.7
133.10146	0.8
135.11682	2.1
140.70570	0.3
145.10159	0.6
147.11714	0.9
149.09613	1.1
157.10143	0.5
163.11237	0.4
175.11295	0.4
175.69443	0.3
180.94514	0.3
185.04173	0.5
193.12263	0.9
211.13286	0.5
221.11395	0.6
240.10878	0.3
243.08336	1.5
253.14122	0.3
267.08960	0.3
267.16000	0.7
283.15186	2.3
339.17862	0.6
439.19376	6.7
440.20154	0.4
453.20847	0.5
469.20435	0.9
471.21866	0.5
501.23010	6.7
510.17386	0.3
599.48114	0.3
681.34991	0.8
699.35553	100.0
700.35809	5.2
708.98175	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64906	0.3
53.03940	0.7
55.05502	1.2
56.96547	0.3
57.03434	1.5
59.05005	0.3
60.73301	0.3
61.02634	0.4
61.02922	4.6
67.05499	4.3
69.03423	2.7
69.07057	1.0
70.05154	0.4
71.04990	3.1
73.02912	3.2
79.05483	2.8
81.03414	3.6
81.07050	2.6
83.04967	1.0
83.08601	0.8
85.02901	5.3
86.20350	0.3
87.04468	0.5
91.03948	2.8
91.05472	3.5
93.07043	3.4
95.04967	1.6
95.08618	1.3
97.02888	4.2
97.06538	1.0
98.21433	0.8
99.04446	0.7
101.02371	1.8
103.03947	0.4
105.07024	1.9
105.46284	0.3
107.04941	0.6
107.08579	1.6
109.02885	0.8
109.06506	0.6
109.10151	2.0
111.08064	0.5
117.07045	0.4
117.08179	0.3
119.08567	2.1
121.10138	1.1
123.08041	0.3
125.46244	0.3
127.03912	1.4
129.07010	0.9
129.59271	0.3
131.08559	1.0
133.10132	1.3
135.11693	1.1
137.09633	1.3
145.10181	0.5
147.11710	1.0
149.09590	0.4
155.10696	0.3
157.10133	0.5
161.05922	0.3
163.11238	0.4
173.04536	0.3
173.11824	0.6
174.41597	0.3
175.11151	0.4
185.04227	0.4
193.12320	1.4
203.05489	0.3
211.13223	0.5
225.14973	0.3
229.14409	0.5
229.21251	0.4
243.08440	2.0
251.12614	0.7
253.14114	1.0
271.12180	0.3
307.15115	0.4
427.19208	0.4
439.19229	0.5
443.19302	0.4
453.20850	1.0
469.20422	6.8
470.20248	0.4
471.22058	4.4
487.21661	0.4
583.98663	0.4
681.33765	0.7
699.35504	100.0
700.35925	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	699.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14627	0.2
55.05501	0.2
60.30368	0.2
67.05508	0.3
69.07046	0.2
69.92838	0.9
79.05487	0.4
80.52099	0.2
81.03416	0.2
81.07069	0.4
83.08622	0.2
84.26212	0.2
85.37614	0.2
91.05476	0.4
93.07027	0.4
94.48163	0.2
95.05004	0.2
98.37862	0.2
105.92683	0.2
107.08599	0.2
119.08532	0.2
184.05141	0.2
185.04248	0.8
210.13023	0.2
225.77563	0.2
259.07965	0.6
301.20071	0.9
319.21295	0.2
347.09488	0.8
362.86313	0.2
537.30322	18.0
538.30316	0.9
544.35883	0.2
699.35559	100.0
700.35999	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	698.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
53.95224	0.3
55.01870	1.5
55.05508	5.8
56.05025	0.5
57.03436	1.1
57.05820	0.6
57.07066	1.0
65.03941	1.2
67.05501	28.0
69.03426	0.8
69.07066	6.8
70.06590	2.3
71.04992	0.7
71.08643	0.4
72.08151	68.5
79.05489	11.3
79.05955	0.7
79.78116	0.3
81.03413	40.4
81.07052	26.2
83.04971	1.9
83.08614	8.9
85.06538	0.7
90.09193	0.6
91.05475	12.5
93.07033	9.9
95.04967	11.2
95.08601	16.7
97.02910	0.9
97.06522	1.6
97.10169	1.4
99.08095	0.7
103.05446	0.5
105.07025	7.9
107.04929	2.4
107.08581	3.6
109.06512	1.1
109.10146	5.4
111.04469	0.8
111.08104	2.7
115.05505	0.7
117.07024	0.7
118.69657	0.3
119.08581	7.1
119.51778	0.4
121.06529	1.2
121.10138	4.8
121.29148	0.3
123.08083	0.8
123.10931	0.4
123.11671	2.1
125.09653	0.4
128.06158	0.5
129.06998	4.5
131.08565	3.5
133.06500	1.4
133.10126	3.5
135.11694	1.4
137.09651	0.4
137.13327	0.8
142.07779	1.0
145.10126	0.5
147.08041	1.4
147.11668	2.9
149.09660	1.4
149.13261	0.5
151.11182	0.3
151.14865	0.4
157.10100	3.9
161.13263	1.2
163.14742	0.4
165.12752	0.4
170.05763	34.8
175.11188	3.2
175.14818	0.4
193.12244	8.0
203.18094	0.4
227.20088	0.5
245.22638	0.5
249.14815	3.2
262.25403	1.0
263.23624	2.0
319.26340	1.0
336.41116	0.3
527.18396	0.4
529.38849	100.0
530.39240	5.1
698.42645	0.5
699.44470	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.43537	0.4
54.20700	0.3
54.56849	0.3
55.01874	1.3
55.05507	7.0
56.05032	0.8
57.03432	1.4
57.05820	0.8
57.07072	1.1
65.03941	1.4
66.98136	0.3
67.05505	31.9
69.03432	1.1
69.07069	6.9
70.06591	1.8
71.04990	1.3
71.08634	0.6
72.08154	65.6
76.71339	0.3
79.05492	12.6
81.03416	41.4
81.07057	29.5
83.04995	2.1
83.08620	10.0
83.49146	0.4
90.09193	0.7
91.05482	12.1
93.07041	10.6
94.06570	0.5
95.04967	11.1
95.05550	0.8
95.08604	17.7
97.02876	1.0
97.06525	1.6
97.10169	2.3
99.08109	0.5
99.85342	0.3
105.07027	8.8
107.04974	2.3
107.08587	5.0
109.06513	1.5
109.10163	5.9
109.46496	0.3
111.08069	3.2
115.05477	0.5
115.96173	0.4
116.06302	0.5
117.07040	0.8
119.08580	7.4
121.06494	0.9
121.10151	5.3
123.08096	0.9
123.11703	3.1
129.07013	4.6
131.08585	4.1
133.06490	1.8
133.10115	3.4
135.11690	1.3
137.09615	0.7
137.13251	0.9
138.92213	0.4
142.07794	1.0
145.10149	0.7
147.08057	1.5
147.11688	4.0
149.09607	2.4
149.13246	0.9
153.12738	0.4
157.10120	4.0
161.13309	1.1
163.11143	0.5
163.14880	0.7
165.12703	0.6
170.05775	34.7
175.11230	3.1
175.14874	0.9
189.16232	0.4
193.12242	8.1
205.12268	0.4
249.14821	3.3
262.25354	1.0
263.23706	2.1
294.34671	0.4
319.26321	0.9
463.74274	0.5
529.38885	100.0
530.39294	4.8
699.44598	0.8
699.57233	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
54.61021	1.5
55.01868	2.3
55.05256	2.3
55.05509	28.6
55.58618	1.3
57.03432	6.4
57.07074	13.8
57.15401	1.4
61.02929	21.4
65.03944	2.5
67.05502	65.3
69.03426	3.9
69.07066	43.5
69.07444	2.2
69.90646	9.4
70.06582	3.0
71.04996	3.1
71.08639	11.5
72.08154	64.2
73.02890	7.9
75.04484	1.6
79.05492	25.4
81.03415	38.8
81.06572	3.5
81.07052	69.2
82.07390	1.7
83.04964	3.6
83.08614	47.7
85.02899	21.5
85.06534	2.9
85.10188	5.4
91.03951	20.0
91.05482	19.2
93.07047	27.4
95.04984	11.2
95.08601	57.7
97.02896	11.7
97.06547	8.8
97.10165	22.0
105.07038	9.0
107.04930	3.1
107.08588	18.9
109.06529	1.6
109.10153	25.7
111.08099	7.3
111.11727	5.9
115.78972	1.3
116.29705	1.4
118.65845	1.4
119.08572	9.5
121.10138	38.7
123.11716	10.2
125.09631	4.0
126.85013	1.3
127.03922	9.1
129.07004	5.0
131.08551	4.5
133.06488	2.3
133.10133	4.8
135.11693	29.3
137.13226	3.5
139.11192	2.7
145.04945	9.2
145.10056	1.7
147.11775	2.0
149.13258	13.7
151.14821	6.1
153.12802	2.8
157.10130	3.3
161.13307	1.4
163.06038	16.7
163.14839	4.1
165.16437	4.3
170.05785	32.7
171.11147	1.6
175.11203	3.8
177.16391	3.6
185.15395	2.0
191.17932	1.8
193.12260	7.1
199.16951	2.3
247.24208	31.7
249.14804	4.0
253.45181	1.4
263.23709	2.9
265.25250	76.7
266.25674	2.2
283.26276	18.2
339.28925	85.1
340.29303	4.1
357.29993	44.8
446.73041	1.6
501.34174	4.6
529.38849	100.0
530.39099	5.1
643.10901	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	698.4387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01859	1.3
55.05308	0.8
55.05513	9.5
57.03421	2.6
57.07068	2.1
65.03925	1.9
66.42436	0.7
67.05500	31.8
69.03419	1.4
69.07062	10.9
69.88435	3.5
70.06586	2.8
71.04982	1.2
72.08150	75.3
73.28267	0.7
77.20860	0.7
78.55419	0.6
79.05487	26.3
80.90299	0.7
81.03409	1.5
81.07053	33.0
83.04977	2.7
83.08615	5.4
85.06532	1.7
89.69042	0.7
91.05476	15.1
93.07036	32.4
94.55947	0.7
95.04967	4.4
95.08596	18.2
97.06495	3.8
97.10165	0.7
99.08099	1.2
105.04486	0.8
105.07021	6.9
107.08583	15.4
109.06522	1.6
109.10126	3.4
111.08080	2.7
117.06977	4.4
119.08569	6.2
119.71616	0.6
121.10132	14.2
121.10996	0.9
123.11663	1.2
125.09551	0.8
131.08556	4.7
133.10130	4.6
135.11687	5.1
137.83002	0.7
145.10124	2.4
147.11725	2.0
149.09508	0.7
149.13239	9.3
159.11707	5.6
161.13211	1.6
163.14920	0.8
170.05763	21.3
173.13313	1.2
177.12756	1.1
186.03648	0.7
195.13841	3.1
200.21480	0.7
241.14362	0.7
261.22177	2.2
313.27408	1.0
317.24731	0.7
501.35648	1.8
529.38849	100.0
530.39240	6.0
660.57452	0.7
698.42468	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	697.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54442	0.4
53.03950	0.7
55.01867	0.5
55.05504	1.5
55.11810	0.4
57.03426	1.7
61.02919	5.1
67.05498	5.5
67.87269	0.4
69.03416	3.2
69.07063	1.8
71.04986	3.9
72.08173	0.5
73.02911	3.8
79.05482	3.2
81.03398	2.3
81.07047	8.5
83.04991	1.0
83.08614	1.7
85.02895	4.8
85.06528	0.9
91.03947	3.5
91.05466	4.2
93.07041	4.5
95.04994	0.7
95.08601	1.5
97.02890	4.4
97.06515	1.0
99.04450	1.0
101.02367	2.2
103.03976	0.4
105.07028	1.8
107.08582	3.2
109.02900	0.8
109.06556	0.5
109.10150	1.0
111.69019	0.4
115.03920	0.6
117.07024	0.8
119.08584	0.8
121.10182	1.4
123.11711	0.7
127.03938	1.6
131.08577	1.5
133.10126	3.4
135.11681	1.1
149.13251	1.9
151.11212	1.3
159.11725	1.3
164.73517	0.5
183.13780	0.5
185.04276	0.6
187.13365	0.4
195.13791	0.9
199.64740	0.4
203.05258	0.5
224.48872	0.4
229.05589	0.4
235.13068	1.2
243.08321	2.4
267.15787	1.3
269.17590	1.1
285.07977	0.4
425.21545	0.6
453.20880	8.9
454.21353	0.4
485.23734	7.1
503.33673	0.7
535.32581	0.5
567.31470	1.5
625.31873	5.0
697.37616	100.0
698.37823	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	697.376
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.03933	0.4
53.64759	0.2
55.05503	0.9
57.03429	1.1
61.02924	3.5
67.05504	4.6
68.79664	0.3
69.03422	2.2
69.07055	0.9
69.58253	1.4
69.58679	0.8
71.04992	3.0
73.02910	3.0
79.05490	1.8
81.03404	0.8
81.07048	5.2
83.04992	0.4
83.08609	1.1
85.02897	3.9
85.06531	0.5
91.03946	2.5
91.05482	2.2
93.07040	3.5
95.04973	0.4
95.08620	1.0
97.02876	3.9
97.06529	1.2
99.04446	0.7
101.02390	1.4
103.03979	0.5
105.07017	1.0
107.08599	2.1
109.02888	0.6
109.10173	0.6
111.08102	0.5
115.03945	0.3
117.07082	0.4
121.10138	1.0
123.11738	0.6
127.03873	1.5
131.08585	0.8
133.10141	1.7
135.11624	0.4
145.05051	0.3
149.13254	1.6
151.11198	0.8
159.11707	1.2
177.12851	0.4
183.13863	0.4
185.04213	0.3
187.13293	0.4
195.13750	0.6
196.56874	0.3
227.17003	0.3
235.13068	0.8
243.08386	2.5
243.10428	0.3
257.17480	0.4
267.15692	1.0
269.17581	0.7
291.15707	0.7
323.18280	0.4
453.20908	7.5
485.23572	7.3
510.90744	0.3
618.21851	0.4
625.31860	1.0
650.65863	0.3
679.83789	0.3
697.37616	100.0
698.37982	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	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01865	1.3
55.05504	3.9
55.30407	0.7
57.03416	3.1
57.07055	1.0
61.02928	7.4
61.69349	0.6
67.05501	14.7
69.03419	3.8
69.07049	2.1
70.15578	0.7
70.15913	3.2
71.04977	0.9
71.82735	0.7
72.08149	12.3
73.02911	4.0
73.08475	1.6
79.05483	7.7
81.03414	10.8
81.07056	8.2
82.03751	1.0
82.07384	1.1
83.01105	0.8
83.04953	1.0
83.08602	4.2
85.02895	7.5
85.06548	0.9
91.03940	5.5
91.05470	7.2
91.06021	1.0
93.07039	7.9
94.07363	1.2
95.04990	4.4
95.08593	4.3
97.02877	5.9
97.06517	1.5
99.04456	1.7
101.02351	2.0
105.07019	5.2
107.08594	4.1
109.02827	0.9
109.06491	0.8
109.10152	10.1
115.03902	0.9
115.05459	0.7
117.06998	1.8
119.08559	2.6
121.10135	3.0
127.03891	3.0
129.05489	1.3
129.68602	0.7
131.08551	2.1
133.10075	2.1
135.11655	1.3
137.09654	1.0
145.05000	0.9
145.10080	1.1
147.11641	1.8
149.13121	1.5
156.03699	0.9
159.11610	1.0
161.13228	0.9
170.05777	7.2
173.11707	3.4
181.04695	1.1
185.04192	3.8
193.12199	2.0
195.09888	1.5
199.05901	0.9
203.05293	1.5
221.11336	1.2
229.14328	2.1
243.08397	4.0
262.22842	0.7
265.14133	0.8
269.17368	1.1
301.08914	5.4
307.15314	0.8
315.10495	2.8
317.24683	1.5
318.25208	1.3
329.12006	0.9
358.66635	1.0
369.15112	1.4
371.16623	3.7
373.11038	3.6
385.18201	3.2
389.26587	0.9
392.09094	1.2
413.17761	19.5
417.26138	0.8
425.21463	3.5
429.17148	1.9
443.18845	1.4
453.20883	7.8
463.26334	1.7
469.20334	1.9
481.18613	3.1
483.21844	0.8
484.22577	1.5
485.19827	7.2
497.23438	2.3
499.21548	2.1
527.24225	0.8
527.37238	3.8
528.29932	1.4
528.37585	18.2
541.25970	3.6
553.29327	1.3
567.31396	23.9
568.30981	1.3
575.84784	0.8
596.31659	6.6
597.32220	1.3
625.31897	100.0
626.31860	3.3
628.24066	2.5
628.30432	3.3
651.33563	7.7
653.35022	0.8
669.34485	2.1
697.34100	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	697.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01861	0.5
55.05509	0.9
57.03439	1.7
61.02924	4.1
61.84730	0.1
67.05506	2.2
69.03426	2.3
69.07056	0.7
71.01352	0.3
71.04979	0.6
71.38721	0.1
71.42872	0.2
72.08150	0.2
73.02911	3.2
79.05051	0.2
79.05489	2.7
81.03413	4.9
81.07050	2.2
81.62777	0.1
83.04973	1.2
83.08608	1.8
85.02901	6.7
85.06566	0.2
87.04451	0.2
91.03957	2.3
91.05476	3.6
93.07044	1.7
95.04967	2.4
95.08617	1.2
97.02883	3.6
97.06528	0.6
97.10172	0.2
99.03899	0.1
99.04459	0.7
99.08099	0.2
101.02380	1.6
103.03944	0.3
105.07026	2.3
107.04939	0.5
107.08578	0.7
109.02890	0.7
109.06513	0.5
109.10146	0.2
111.04444	0.3
111.08107	0.8
112.92048	0.1
113.06004	0.3
115.03934	0.4
115.05449	0.2
119.05019	0.2
119.08569	1.9
120.08935	0.1
121.10111	0.8
123.04408	0.2
123.08099	0.2
127.03909	1.3
127.07563	0.1
129.06979	1.1
131.08582	1.1
133.06491	0.1
133.10121	1.4
137.09612	0.2
142.07747	0.2
145.04916	0.4
145.10193	0.2
147.08098	0.3
147.11678	1.6
149.09592	0.7
157.10114	1.7
163.11223	0.2
165.12735	0.3
175.11150	1.1
185.04257	0.6
193.12231	2.3
203.05304	0.2
211.13304	1.0
241.06885	0.2
243.08397	2.5
251.12592	1.8
269.12415	0.6
285.09882	0.3
285.17004	0.6
289.09476	0.3
293.12347	0.2
301.08908	0.1
307.15259	0.8
469.20438	13.4
470.21057	0.3
535.28815	0.2
545.31354	0.1
697.33997	100.0
698.34448	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	697.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05510	1.5
57.03428	1.9
61.02929	3.5
67.05502	2.6
67.48215	0.4
69.03413	2.5
69.07066	0.7
71.05012	0.5
71.60356	0.9
73.02924	2.7
79.05498	3.5
81.03413	4.3
81.07041	3.6
83.04976	1.4
83.08617	1.5
85.02902	5.2
91.03955	2.3
91.05479	3.0
93.07030	2.0
95.04971	2.8
95.08612	1.6
97.02884	3.0
97.06578	0.7
99.04489	0.7
101.02383	1.6
105.07035	3.3
105.07641	0.5
107.04961	0.5
107.08564	1.2
109.02882	0.6
109.06554	0.5
109.10168	1.1
111.08070	0.7
119.08562	2.0
121.10146	1.0
123.08109	0.5
123.11740	0.7
127.03937	1.2
129.07019	0.9
131.08578	1.2
133.06519	0.5
133.10097	1.5
145.10039	0.5
147.04504	0.5
147.11671	1.3
149.09618	0.9
153.12866	0.5
157.10147	1.0
165.12781	0.5
175.11220	1.3
185.04291	0.5
193.12184	2.5
197.41849	0.4
211.13368	1.2
243.08415	2.3
251.12593	3.9
267.09149	0.5
269.12622	1.0
285.10284	0.8
307.15051	0.8
469.20428	14.8
475.54028	0.5
671.50464	0.5
679.32068	0.6
697.34009	100.0
698.34186	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	696.423
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.4
50.95229	0.4
51.02369	0.6
53.03938	2.1
55.01865	1.1
55.05508	6.2
56.05026	0.7
57.03430	1.7
57.05811	0.7
57.07067	2.1
61.02929	0.5
61.81306	0.4
64.34510	0.4
65.03931	1.5
67.05497	17.9
69.03427	1.2
69.07063	4.5
70.06590	2.6
71.01347	0.4
71.04989	1.0
71.08620	0.7
71.29504	0.8
72.08150	79.3
72.17651	0.4
77.03927	0.5
78.71687	0.4
79.05489	25.4
81.03414	44.3
81.07050	17.0
81.07516	0.9
83.04984	1.4
83.08611	9.2
85.06542	1.4
90.09198	0.7
91.04885	0.6
91.05039	0.3
91.05472	19.2
93.07036	26.3
95.04961	13.8
95.08599	10.5
97.02890	1.5
97.06532	1.5
97.10165	1.8
99.08064	0.7
103.05493	0.7
103.86983	0.4
105.04476	0.7
105.07021	14.4
107.04955	2.6
107.08592	9.4
107.09296	0.7
109.06526	1.6
109.10155	4.1
111.04463	0.6
111.08082	2.8
113.06017	0.4
113.09653	0.4
115.05447	1.1
117.07022	4.7
119.04980	0.6
119.08576	11.0
121.06511	0.9
121.10132	8.6
123.08106	0.6
123.11705	1.2
125.09626	0.6
129.07001	6.6
131.08554	9.0
133.06508	1.5
133.10118	4.6
135.08076	0.6
135.11665	4.1
137.09642	0.6
137.13229	0.6
142.07819	1.5
143.08485	0.7
145.10118	4.4
147.08080	1.2
147.11691	5.7
149.09604	1.9
149.13260	2.7
151.11195	0.4
157.10126	4.6
159.11690	1.9
161.13278	2.6
163.14861	1.0
165.12828	0.4
170.05768	37.1
171.11784	0.6
173.13222	2.0
175.11185	3.5
175.14867	1.3
177.16394	0.5
184.06975	0.5
187.14847	1.6
188.15138	0.5
189.16377	0.5
193.12234	8.0
199.14729	0.4
233.15213	0.5
243.21167	1.3
249.14871	3.3
261.22055	3.1
267.15866	1.1
299.23804	0.8
317.24731	11.6
413.17886	0.5
429.14609	0.4
512.84839	0.5
527.37292	100.0
528.38013	2.3
589.08514	0.4
625.32269	0.7
696.35565	0.9
697.34821	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.05506	0.9
56.96555	2.0
57.03450	0.7
61.02916	1.7
67.05502	3.3
69.03419	1.4
69.07040	0.5
71.04989	1.0
71.60661	0.7
71.77303	0.4
72.08144	1.5
73.02911	0.9
79.05486	1.7
80.81838	0.4
81.03410	1.2
81.07053	3.7
83.08614	1.1
85.02893	1.6
91.03934	0.9
91.05469	1.7
93.07050	2.6
95.08606	1.0
97.02885	1.4
97.06490	0.6
98.10629	0.4
98.97615	0.7
101.02352	0.5
104.92202	0.5
105.07026	1.1
107.08578	1.3
109.02898	0.8
109.10161	1.0
116.98646	0.8
117.07027	0.5
118.01503	0.5
119.08564	0.9
121.10174	0.7
127.03860	0.7
131.00179	1.2
131.08649	0.7
132.00807	0.5
133.10114	0.8
135.11632	1.0
149.01245	1.9
149.13322	0.8
152.30721	0.5
159.11798	0.7
167.02226	0.9
176.76097	0.4
177.00667	0.7
177.46689	0.5
191.02261	0.6
193.12190	0.7
223.11301	0.4
231.09180	1.0
235.13020	0.5
243.08398	1.0
244.54335	0.6
267.09006	4.9
267.11542	0.6
269.10498	2.6
275.20197	0.5
281.10605	0.8
285.10110	6.8
286.10455	0.5
287.11664	2.8
309.09882	0.6
323.11636	0.7
344.87222	0.6
349.15955	0.7
349.65860	0.6
358.66641	1.2
396.81909	0.5
441.17496	0.8
453.21072	3.4
467.18472	0.5
469.19223	0.8
485.16632	4.1
487.18613	3.5
499.24704	0.5
625.31903	0.7
651.34491	0.9
653.31335	0.6
658.30865	0.5
679.31317	1.6
697.32379	100.0
698.32550	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	696.423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.4
53.03941	2.2
55.01873	0.7
55.05511	6.4
57.03425	1.0
57.05809	0.6
57.07069	0.5
57.41098	0.4
64.74557	0.4
65.03934	1.0
67.05500	20.0
69.03421	1.0
69.07063	4.2
69.47810	3.1
70.06593	2.3
71.04986	1.2
72.08151	62.5
79.05489	19.8
79.05958	0.8
81.03413	39.3
81.07051	15.2
83.04975	1.4
83.08616	8.0
83.70881	0.3
84.61636	0.4
85.06545	0.6
90.09161	0.5
91.04899	0.6
91.05473	17.9
93.07039	20.7
95.04963	12.9
95.08598	11.8
97.02880	1.0
97.06512	0.9
97.10165	1.4
98.21488	0.8
99.03802	0.4
103.30701	0.3
105.04515	0.5
105.07027	9.8
106.99535	0.3
107.04955	2.8
107.08584	8.1
109.06524	1.6
109.10155	3.5
111.04474	0.5
111.08072	2.5
115.05433	0.6
117.07009	2.3
119.04900	0.5
119.08573	8.3
121.06483	1.3
121.10143	8.1
121.11018	0.4
123.08071	0.5
123.11703	1.3
125.09647	0.5
128.06236	0.4
129.07008	4.8
131.08553	5.9
132.55200	0.3
133.06490	1.8
133.10114	3.2
135.11691	3.0
137.09633	0.8
142.07788	1.1
145.10127	2.1
147.08049	2.1
147.11714	3.8
147.24475	0.4
149.09619	1.6
149.13268	0.8
157.10124	3.6
159.11719	1.2
161.13206	0.6
165.12782	0.9
170.05765	31.5
173.13300	0.8
175.11185	3.1
175.14723	0.4
187.14946	0.4
193.12244	7.8
224.00407	0.4
249.14882	3.3
261.22186	1.3
267.15887	0.5
317.24973	0.6
527.37292	100.0
528.37714	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
54.49098	0.4
55.01873	0.9
55.05512	5.6
56.05037	0.8
57.03432	1.0
57.05794	0.7
57.07069	0.6
59.46944	0.4
64.39149	0.4
65.03938	1.0
67.05503	18.7
69.03430	1.1
69.07064	4.1
70.06577	2.2
71.04989	1.2
72.08153	65.7
79.05490	18.6
81.03415	38.1
81.07050	15.2
83.04979	1.7
83.08619	7.7
85.06519	0.4
89.10548	0.4
90.09205	0.7
91.05477	15.5
93.07041	18.2
95.04964	11.5
95.05549	0.8
95.08605	10.4
97.02887	1.1
97.06532	0.9
97.10168	1.1
98.20786	1.1
105.07025	9.3
107.04948	2.5
107.08586	8.7
109.06528	1.8
109.10146	4.1
111.04473	0.4
111.08099	2.4
115.05479	0.6
117.07020	2.5
119.04900	0.6
119.08582	8.2
121.06526	1.4
121.10125	7.1
123.08080	1.0
123.11687	0.3
129.07002	4.5
131.08574	5.7
132.06084	0.4
133.06480	1.4
133.10136	3.3
135.08122	0.4
135.11696	3.2
137.09709	0.6
142.07779	0.8
145.10097	2.0
147.08099	1.2
147.11681	3.8
149.09598	1.8
149.13249	1.1
157.10126	3.7
159.11699	0.9
161.13289	0.8
163.14867	0.4
165.12779	0.4
170.05771	31.2
173.13298	0.7
175.11160	3.4
193.12234	8.6
249.14844	3.4
253.31332	0.4
261.22247	1.4
267.16052	0.4
317.25232	0.4
335.25974	0.6
467.83749	0.4
527.37311	100.0
528.37799	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	696.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54816	1.6
53.03943	2.7
54.63087	1.7
55.05507	15.0
57.03425	5.2
57.07059	7.5
61.02923	28.5
65.03905	2.3
67.05504	68.4
69.03423	3.4
69.07066	23.6
70.06580	2.4
71.04966	5.2
71.08610	4.9
72.08152	48.7
72.17113	1.9
73.02903	7.8
79.05486	29.6
81.03414	19.9
81.07056	80.7
83.04982	3.9
83.08617	20.7
85.02902	32.6
85.06524	4.0
85.10159	2.2
91.03951	25.9
91.05473	31.1
93.07036	36.4
95.04951	7.1
95.08602	62.2
97.02884	14.7
97.06515	8.6
97.10164	11.1
99.04461	1.8
99.08083	4.4
105.07034	19.7
107.04922	3.4
107.08596	19.6
109.06547	2.2
109.09454	2.4
109.10151	33.7
111.08050	3.4
111.11688	1.9
113.09595	3.3
117.07002	2.8
119.08578	19.3
121.10150	22.1
123.11694	19.4
125.09629	2.4
127.03897	6.2
131.08569	4.7
133.10129	19.5
135.11687	13.3
137.09613	3.1
137.13234	6.9
137.55315	1.6
139.11183	1.9
141.12740	2.0
145.04947	12.0
145.10117	3.8
147.11659	11.9
149.09593	2.1
149.13243	10.2
151.14844	4.9
155.14313	2.4
157.10161	3.6
161.13235	13.8
163.06007	15.8
163.14803	9.7
163.61018	1.9
165.16438	8.6
170.05774	20.4
173.13364	2.0
175.14862	6.9
177.16429	2.8
179.17931	5.9
189.16377	3.7
193.12175	3.3
201.91029	1.8
217.19510	2.2
245.22636	59.6
263.23688	100.0
265.25232	2.7
269.10663	2.0
281.24661	2.6
317.24759	3.7
335.25790	2.3
337.27338	41.6
349.16772	3.2
355.28439	6.7
499.32938	2.0
520.61652	2.1
527.37262	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45851	1.0
53.03934	2.1
55.01863	2.2
55.05259	1.8
55.05508	23.0
56.03854	0.9
57.03438	9.0
57.07071	10.6
61.02921	32.2
65.03925	1.4
67.05497	78.8
69.03411	3.7
69.07059	30.1
70.30061	1.5
70.30406	3.8
70.32664	1.1
71.04982	2.3
71.08639	5.5
71.08941	0.9
72.08132	4.0
73.02907	9.7
73.77936	1.1
75.04468	1.8
75.06953	1.1
79.05053	1.7
79.05485	23.2
81.03403	2.5
81.07047	100.0
83.04946	2.7
83.08609	21.5
85.02895	31.7
85.06517	3.9
85.10168	2.3
91.03947	26.7
91.05463	19.2
93.07035	28.2
95.04978	2.4
95.08596	82.0
97.02876	14.9
97.06515	7.8
97.10156	11.8
97.58981	1.0
99.08057	3.8
102.42651	0.8
105.07018	13.4
107.08582	17.5
109.02842	2.0
109.06498	1.3
109.10145	41.6
111.08081	4.8
111.11690	4.3
113.09640	1.6
115.03909	1.7
117.06963	1.9
117.69133	1.0
119.08582	12.8
121.09303	2.0
121.10130	24.0
123.11696	22.0
125.09602	2.8
125.13223	1.6
127.03897	9.4
127.11177	2.1
127.83153	1.0
128.74748	1.0
129.05432	1.3
131.08566	1.0
133.10124	19.7
135.11684	12.0
137.09598	2.2
137.13225	8.8
139.11177	1.9
141.12740	3.6
145.04945	12.6
145.10112	1.7
147.11697	10.9
149.13226	10.2
151.11105	1.6
151.14786	8.0
153.12747	1.3
155.14282	4.5
161.13243	16.4
163.06010	19.8
163.14828	11.2
165.12796	1.2
165.16371	10.8
167.14345	2.1
175.14777	12.3
177.16309	2.3
179.14403	1.2
179.17902	7.5
181.15836	1.1
189.16356	5.3
193.15767	1.1
203.17905	1.7
207.17458	1.3
217.19469	1.7
245.22626	64.3
263.23679	94.3
265.25287	1.5
281.24808	2.6
337.27341	73.9
355.28378	12.2
499.32709	5.1
527.36896	2.0
696.36426	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	695.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01855	0.6
55.05505	1.5
57.03433	1.1
61.02930	3.3
62.77150	0.5
67.05503	4.2
68.05827	0.6
69.03428	2.8
69.07065	0.8
71.04997	1.0
71.59083	0.5
73.02927	2.4
79.05482	2.7
81.03418	4.3
81.07046	3.5
83.04993	1.2
83.08617	1.9
85.02911	4.8
91.03960	1.7
91.05469	3.7
93.07034	2.9
95.04952	2.7
95.08604	2.6
97.02879	3.3
97.06541	0.7
99.04463	1.2
101.02380	1.1
105.07014	2.9
107.04964	0.7
107.08614	1.5
109.02871	0.8
109.06499	0.5
109.10140	0.7
111.04479	0.5
111.08098	0.5
117.07086	0.6
119.04922	0.5
119.08588	2.2
121.06494	0.5
121.10184	1.5
125.05965	0.6
127.03896	0.8
131.08595	1.2
133.10161	1.6
135.11684	2.9
141.28368	0.6
145.10176	1.8
147.04480	0.7
147.11690	1.0
149.13257	0.6
151.78723	0.5
157.10133	0.6
163.11198	3.2
181.12236	0.8
185.04352	0.6
193.12318	1.3
211.13336	0.7
227.12772	2.2
234.34285	0.6
243.08546	2.0
249.10985	7.5
267.16095	1.1
268.16180	0.6
269.17484	0.6
285.09943	0.7
285.16953	0.9
305.13559	1.6
369.50293	0.5
440.27417	0.7
453.29123	0.6
461.29462	0.7
462.29468	1.6
466.28708	0.7
467.18845	8.5
469.20547	9.1
533.27155	0.8
556.74573	0.6
695.32422	100.0
696.32843	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41558	0.7
53.03941	1.7
53.23776	0.6
54.55733	0.6
55.01872	1.2
55.05510	9.7
57.03435	6.1
57.07069	4.0
57.21066	0.7
58.78872	0.7
61.02922	26.3
65.03918	1.9
65.35844	0.7
67.05501	54.2
69.03401	2.8
69.07065	9.8
71.04983	2.9
71.12437	1.4
73.02921	9.8
75.04493	1.2
79.05489	31.7
81.03411	2.1
81.07052	62.5
83.04960	0.8
83.08617	7.1
85.02901	30.6
85.06512	2.0
86.45129	0.7
87.04436	1.1
91.03403	1.3
91.03953	26.0
91.05477	16.7
93.07037	47.6
94.70343	0.7
95.04948	2.5
95.08601	52.0
97.02884	15.1
97.06546	4.4
97.10144	3.0
99.04463	1.9
99.08075	2.2
102.04523	0.8
104.17850	0.8
105.07024	14.5
107.08588	29.1
109.02875	1.0
109.06505	1.4
109.10150	29.9
111.08077	1.9
111.11726	1.0
113.09645	1.3
115.03916	2.0
117.07021	7.7
119.08564	15.3
121.10135	32.2
121.11016	1.7
123.11702	17.1
125.09629	1.3
126.59152	0.7
127.03909	9.7
129.07066	0.8
131.08560	17.5
133.10123	13.3
135.11687	24.3
137.09605	1.8
137.13225	6.6
139.11176	2.0
145.04945	15.2
145.10112	12.7
147.11694	9.7
149.09595	1.0
149.13251	20.7
151.11174	1.7
151.14780	1.6
153.12694	1.0
159.11674	12.4
161.13255	11.3
162.82370	0.8
163.06006	20.5
163.11116	0.9
163.14815	16.7
165.12726	2.3
165.16396	1.0
173.13249	14.9
175.14856	3.9
177.16400	5.9
179.14299	2.9
187.14795	9.0
191.14264	1.4
201.16354	3.4
205.15929	1.8
215.17975	1.4
217.06412	0.8
217.19557	1.0
219.17441	1.8
233.22673	2.3
243.21074	38.0
244.21344	0.9
261.22125	100.0
262.22348	1.6
263.23712	1.4
273.22070	0.8
279.23178	2.9
297.20605	0.9
335.25800	16.6
336.25638	0.8
353.26846	50.1
354.27026	1.3
362.41016	0.8
439.30392	1.7
497.34528	2.7
694.32391	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30703	0.7
57.02556	0.6
65.74452	0.7
71.20358	1.6
102.58688	0.7
108.43401	0.7
156.92093	0.7
164.16389	0.7
220.66324	0.7
271.77179	0.7
319.66241	0.8
377.17535	0.8
389.17398	0.8
391.19455	1.1
392.19952	1.1
393.20880	1.6
405.17178	2.5
406.17734	1.6
407.22424	3.0
419.18341	1.7
420.19269	2.7
421.20169	3.9
433.20322	2.8
434.21136	3.2
435.21878	7.6
436.22913	0.9
449.19958	3.0
459.22021	2.9
461.22974	1.1
463.21136	0.8
521.25671	7.7
531.27332	1.1
546.30389	1.7
547.30627	1.5
549.24164	1.1
559.30640	1.1
581.27509	3.4
591.29749	2.0
633.34332	10.7
693.36389	100.0
694.36707	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26616	0.5
53.03941	0.7
55.01879	1.3
55.05515	3.0
57.03430	2.3
61.02926	4.3
61.18389	0.6
67.05504	11.4
68.05841	1.0
69.03436	3.6
69.07074	2.0
71.01359	0.6
71.04994	2.0
71.60412	0.8
73.02928	3.3
79.05494	8.4
80.05845	0.7
81.03427	6.0
81.07057	11.0
82.07388	1.5
83.04975	2.9
83.08631	2.1
85.02909	6.1
85.06551	0.6
91.03980	2.9
91.05476	6.7
92.05827	0.9
93.07031	7.4
95.04976	3.5
95.08610	3.8
97.02889	3.2
97.06526	1.5
97.10168	1.2
99.04452	1.3
101.02393	1.5
105.07034	4.5
106.07391	0.6
107.04970	1.6
107.08585	3.4
109.02901	1.2
109.06504	0.9
109.10188	2.5
110.10464	0.6
111.04449	0.9
111.08096	1.2
117.07043	1.8
119.08588	3.0
121.10178	2.2
123.08060	0.9
125.09652	1.0
127.03944	1.4
129.07007	1.0
131.08592	1.6
133.10121	2.2
135.08075	0.6
135.11676	1.3
143.08580	0.6
145.10129	1.3
147.08150	0.8
147.11696	2.4
149.02377	0.7
149.09616	0.8
151.11194	0.6
157.10133	1.0
161.13272	1.2
163.11166	0.5
165.12712	1.0
171.11685	1.3
173.11755	0.8
175.11314	0.7
193.12312	2.1
195.13966	0.7
207.13776	0.6
211.13380	1.0
229.14346	0.8
243.08427	2.8
246.77901	0.5
251.12657	3.6
269.17612	1.8
270.17899	1.3
275.20349	0.8
307.15182	0.6
424.21643	0.6
424.27722	0.9
438.29700	1.0
463.30426	0.8
464.30917	1.6
465.20975	9.3
469.20355	6.0
496.33820	0.8
693.34467	100.0
694.34772	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	693.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01857	0.6
55.05509	2.1
56.45094	0.3
57.03439	2.6
61.02924	4.0
65.03947	0.4
67.05499	5.3
68.05832	0.5
69.03431	2.7
69.07063	1.8
70.66485	0.8
70.66843	0.9
71.01349	0.4
71.04994	1.1
73.02904	3.0
74.14828	0.3
74.76791	0.3
79.05491	7.4
81.03410	5.2
81.07050	6.3
82.07388	0.9
83.04965	2.0
83.08604	2.2
85.02908	5.2
91.03952	2.6
91.05473	5.2
93.07034	6.0
95.04975	2.5
95.08606	2.9
97.02880	4.0
97.06546	1.0
97.10159	0.4
99.04446	0.8
101.02393	1.3
103.03956	0.4
104.96262	0.4
105.07024	4.7
107.04951	1.3
107.08590	2.5
109.02875	1.1
109.06532	1.0
109.10161	1.5
111.08076	0.5
113.06090	0.4
117.07027	0.8
119.08566	2.7
120.14426	0.3
121.10127	1.1
123.08089	0.5
127.03915	1.7
129.06998	1.4
131.08588	1.1
133.10106	2.3
135.11708	0.4
139.11162	0.4
143.08534	0.9
145.10123	0.9
147.11655	3.5
148.11984	0.4
149.13264	0.9
150.13568	0.4
153.12935	0.4
157.10117	0.9
161.13277	0.8
163.11223	0.7
171.11719	1.3
175.11252	0.6
189.12714	0.9
193.12268	0.8
203.05254	0.4
207.13834	0.7
209.11673	0.4
211.13350	0.6
243.08327	1.9
247.13110	0.6
251.12656	0.7
253.43166	0.5
257.00940	0.4
265.12714	0.8
267.09143	1.0
267.15988	0.5
269.12381	1.7
269.17557	1.1
270.17911	0.8
281.17523	1.4
283.13882	0.7
284.15759	0.6
285.10239	1.7
302.16977	0.5
303.15677	0.8
355.15839	0.7
386.17810	0.5
460.27335	0.4
465.20947	9.1
469.20502	4.7
478.28781	2.5
496.29767	2.0
565.00513	0.4
640.34607	0.5
693.34509	100.0
694.35333	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	693.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
55.05504	5.0
56.05838	0.8
56.96561	2.0
57.03432	2.5
59.04988	1.1
61.02919	1.1
63.32523	0.6
67.05504	12.4
68.05833	2.4
69.03430	0.7
69.07066	2.8
69.26238	7.7
70.07394	1.0
71.04989	1.0
79.05482	6.4
80.80044	0.7
81.03419	1.8
81.07057	9.2
81.83152	0.7
82.07386	1.8
83.04984	1.7
83.08619	2.7
84.96034	0.9
85.02908	2.1
85.06505	0.9
86.03263	0.9
91.05458	4.2
93.07050	6.8
94.07373	1.3
95.04993	1.8
95.08633	3.4
96.08953	0.9
97.02901	1.7
97.06532	1.5
97.10168	2.1
98.10489	1.0
98.97623	1.8
105.07047	1.4
107.08581	3.4
108.08967	1.1
109.10139	6.2
110.10518	2.0
111.08088	0.8
117.07062	1.6
119.08588	1.2
121.06499	0.9
121.10152	1.2
122.97580	0.7
125.09635	1.3
131.00157	1.8
131.08586	2.2
132.08981	0.9
133.10127	2.0
135.11652	0.8
143.00186	0.9
147.11697	1.1
149.01268	1.9
149.13268	2.1
150.13663	0.8
159.11687	0.8
161.01140	0.9
163.11171	0.7
173.11748	1.5
177.12778	0.9
195.13870	1.9
196.14258	0.8
199.02745	0.7
213.07976	1.1
227.12744	0.8
229.14333	4.6
230.14764	2.4
236.56796	0.7
263.09500	0.7
269.10657	3.9
269.17517	5.6
270.17810	3.8
281.10626	3.0
283.15463	0.8
287.11710	2.2
293.05548	1.9
299.11743	2.5
301.16556	0.8
302.16888	0.9
323.11606	1.3
347.16266	1.0
423.27332	1.8
424.27933	3.6
487.18643	5.7
495.29510	2.5
496.29779	6.3
499.18549	6.2
513.30963	1.1
514.31055	1.7
693.32397	100.0
694.32928	3.5
702.89337	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03940	1.4
55.01871	1.1
55.05505	6.3
56.05029	0.9
57.03432	2.4
57.05798	0.5
57.07074	18.7
63.22174	0.3
64.76070	0.3
65.03930	0.8
67.05501	14.8
69.03417	1.0
69.07063	6.6
69.35650	3.3
70.06594	3.9
71.04990	1.6
71.08229	0.4
71.08628	14.0
72.08150	96.3
79.05489	10.3
81.03412	9.5
81.07053	17.4
83.04979	3.6
83.08616	8.3
85.02898	6.2
85.06534	0.7
85.10183	6.9
90.09188	1.0
91.05476	13.5
93.07041	5.3
93.90438	0.3
95.04961	6.1
95.08600	15.0
95.10488	0.3
97.02901	0.7
97.06526	1.2
97.10152	2.9
99.08067	0.5
105.07025	9.0
107.04958	2.1
107.08575	2.4
109.06525	1.8
109.10155	5.7
111.04420	0.5
111.08063	2.1
111.11713	0.5
113.05991	0.5
115.05442	0.6
116.52753	0.4
117.07005	0.8
119.08572	5.3
121.10149	2.5
123.08070	1.2
123.11688	1.9
125.52598	0.3
129.06993	3.7
131.08549	3.5
133.06548	0.4
133.10126	3.7
137.09608	0.5
137.13286	0.9
142.07790	1.0
145.10126	0.9
147.08109	0.4
147.11696	3.7
149.09651	0.8
151.64119	0.3
157.10115	3.4
163.11151	0.5
165.12753	1.0
170.05766	40.4
175.11174	2.5
190.42397	0.3
193.12239	7.5
211.13269	10.4
239.23662	2.5
249.14989	0.4
267.15921	3.0
285.16986	0.9
313.27252	2.2
416.04172	0.3
464.32068	0.4
505.38708	1.5
523.39923	100.0
524.40289	2.8
692.24084	0.4
692.28546	0.4
692.40479	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	692.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01853	1.7
55.05302	0.8
55.05508	8.9
56.02505	0.7
57.03428	6.9
57.07057	2.1
61.02911	2.4
63.10619	0.9
65.03925	1.2
67.05501	55.5
69.03404	1.3
69.07064	12.8
71.04990	15.4
71.30683	1.9
73.02873	1.2
79.05489	23.0
81.03406	2.6
81.07053	80.3
83.04977	4.2
83.08624	8.9
85.02885	2.7
85.06541	7.2
87.04442	0.7
91.03968	0.7
91.05476	18.2
93.07042	33.5
95.04976	3.6
95.08603	13.6
97.02872	1.4
97.06518	6.9
97.10132	1.9
99.08074	2.7
105.04504	0.8
105.07024	9.1
107.08588	23.0
107.75830	0.8
109.06523	2.3
109.10140	7.5
111.08078	4.3
117.07034	4.4
119.08587	1.8
121.06470	0.8
121.10145	13.5
123.11684	10.6
124.90936	0.7
125.09637	1.8
131.08572	4.3
133.10126	14.8
135.08026	1.1
135.11691	5.1
149.09534	0.8
149.13248	20.6
151.11183	4.4
159.11687	8.8
169.12201	0.9
172.76607	0.8
173.11838	1.1
177.12727	4.5
183.13789	2.3
187.13246	3.7
195.13806	5.9
213.14874	1.6
229.14325	2.7
251.16484	1.0
257.17529	1.8
269.17450	22.3
301.16724	1.2
301.19965	6.9
423.27411	1.2
437.28979	44.7
438.29221	1.7
451.30536	8.6
463.30530	100.0
464.30914	3.7
495.33261	34.7
496.33612	1.7
607.34338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17843	0.6
53.03946	2.9
55.01863	2.4
55.05508	19.4
56.96567	1.1
57.03433	10.0
57.07062	2.2
59.04997	1.7
59.77033	0.6
61.02921	5.0
63.34883	0.7
65.03940	2.7
67.05502	78.6
69.03432	3.5
69.06718	1.0
69.07068	14.4
70.73492	1.8
71.04989	17.8
71.08633	0.8
73.02914	2.9
73.06579	0.7
78.73214	0.6
79.05492	32.4
81.03426	5.5
81.07053	100.0
82.07392	0.9
83.04987	5.9
83.08612	16.3
85.02893	6.8
85.06538	8.4
87.04469	2.1
91.03959	2.4
91.05476	28.5
93.07040	38.4
94.07344	0.7
95.04961	6.5
95.08603	19.2
97.02875	3.7
97.06529	8.8
97.10170	4.7
99.04453	1.6
99.08079	1.2
105.06303	0.8
105.07028	13.8
105.07750	0.9
107.04969	1.9
107.07865	1.3
107.08593	26.2
109.06511	3.1
109.10155	19.5
111.04498	0.8
111.08076	5.3
112.90423	0.7
117.07012	7.1
119.08564	3.6
121.06493	2.1
121.10130	9.9
123.08093	1.3
123.11709	11.0
125.09636	3.7
127.03886	0.9
127.07565	0.8
129.05431	1.3
129.06970	1.4
131.08578	8.6
133.10123	19.3
133.11070	1.3
135.08076	1.6
135.11684	9.6
137.09605	0.8
145.10112	1.9
147.08092	0.7
147.11699	2.7
149.09589	1.0
149.13257	13.8
151.11186	6.7
153.12747	0.8
155.10651	0.8
159.11678	8.0
163.11189	2.2
165.12759	0.7
169.12265	0.9
173.11752	5.2
175.53557	0.8
177.12733	4.5
183.13846	2.3
187.13342	2.4
195.13789	12.6
199.13322	1.9
201.14934	1.1
209.11830	1.8
213.14867	2.2
220.25252	0.6
225.14902	1.6
227.12785	1.6
229.14339	15.3
257.17545	1.6
267.16013	2.0
269.10724	1.5
269.17468	32.2
270.17896	0.8
279.12625	0.7
283.15634	0.9
297.17139	1.4
301.16510	4.0
301.20142	13.5
345.74554	0.7
411.27527	1.3
419.28012	0.8
423.27420	10.1
437.28979	53.9
438.29465	1.1
445.29276	1.0
451.30475	5.8
463.30545	20.1
464.31390	1.0
487.18512	1.0
495.33426	68.1
496.33582	1.4
499.18646	1.4
513.30646	3.3
548.02057	0.8
639.37421	0.8
641.30292	0.8
692.32983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38503	1.5
54.20292	1.2
55.01872	4.0
55.05304	1.2
55.05512	14.0
57.03436	12.6
57.71294	1.2
59.04997	2.1
61.02911	5.9
67.05502	36.1
69.03415	4.6
69.06773	1.3
69.07071	14.3
71.04999	7.0
73.02882	1.5
79.05485	32.2
81.03413	44.1
81.07055	61.9
83.04978	13.1
83.08614	20.5
85.02899	16.0
85.06545	4.1
91.03944	1.7
91.05472	36.4
92.84164	1.4
93.07037	23.9
95.04961	22.9
95.08607	17.2
97.02882	4.0
97.06546	7.9
97.10166	5.4
99.04437	1.7
99.08086	4.2
103.05437	1.5
105.07026	31.4
107.04913	6.1
107.08592	16.0
109.06496	5.0
109.10147	4.9
111.04445	3.2
111.08057	11.0
113.06025	2.8
117.07007	3.9
118.78626	1.3
119.07780	2.2
119.08574	27.1
121.06501	2.3
121.10137	18.6
123.08051	5.3
123.11711	17.9
125.09658	1.6
127.07546	2.3
129.06995	8.1
131.08562	11.1
133.06471	1.8
133.10101	13.2
135.11694	5.4
137.13191	1.2
142.07771	1.9
145.10097	4.8
147.08037	2.3
147.11681	49.9
149.09595	5.6
149.13292	1.7
151.11177	1.6
157.10109	14.0
159.11815	1.5
163.11211	4.5
165.12752	18.2
175.11191	11.5
191.10670	1.5
193.12222	36.9
195.13722	2.0
203.57483	1.2
209.11763	2.1
211.13268	51.3
217.28223	1.3
227.12790	2.0
229.14326	3.3
267.15906	70.5
269.17578	7.3
283.15344	3.2
285.16946	100.0
301.16495	2.5
355.15836	2.2
368.25583	3.2
415.27914	2.0
433.29651	1.6
451.26303	2.2
459.27124	6.2
460.30246	1.3
477.28473	32.6
495.29514	86.9
692.43872	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	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38542	1.3
53.03933	3.1
55.05259	2.4
55.05509	28.6
56.96557	1.4
57.03149	1.8
57.03425	22.1
57.07065	1.6
57.98875	1.3
59.04987	2.7
61.02919	8.1
65.03928	3.7
67.05502	100.0
69.03404	4.9
69.06718	1.5
69.07062	18.5
69.51826	2.9
69.52231	10.0
71.01358	2.0
71.04987	6.9
73.02898	4.6
73.50154	1.2
79.05488	39.2
81.03413	13.7
81.07053	73.4
83.04965	9.7
83.08614	21.0
85.02905	16.8
85.06541	7.5
87.04455	4.3
91.03933	3.2
91.05478	27.7
93.06463	2.6
93.07037	43.2
95.04969	10.3
95.08601	21.5
97.02882	5.8
97.06510	9.1
97.10150	14.3
98.20751	3.1
99.08080	2.9
103.03915	2.5
105.07034	13.0
107.04994	3.2
107.08587	30.2
109.06506	3.8
109.10158	49.4
111.08077	6.8
113.06008	1.9
117.06968	8.0
119.08580	10.5
121.06477	4.4
121.10129	12.6
123.08080	2.9
123.11706	4.7
125.09632	14.4
129.05472	6.8
129.06990	1.5
131.08551	9.7
133.10124	14.0
135.08061	3.0
135.11682	12.4
137.09576	2.0
143.07002	2.0
143.10658	3.0
145.10101	5.1
147.11703	5.0
149.09631	2.9
149.13234	11.8
151.11128	1.5
153.12737	5.0
153.71222	1.5
155.10574	2.1
157.10110	2.2
159.11678	8.0
160.88113	1.4
162.61275	1.4
163.11198	10.0
165.12709	2.5
173.09554	2.0
173.10329	1.7
173.11707	17.2
175.11191	1.6
177.12747	3.3
181.12230	2.6
185.11641	1.7
189.11230	1.4
191.10652	3.1
193.12222	5.2
195.13814	21.3
199.13266	7.2
209.11745	8.4
211.13214	2.5
213.14844	4.3
227.12802	6.5
229.12071	2.4
229.14340	50.2
231.31845	1.5
239.16425	1.9
257.13882	6.5
267.15961	8.7
269.17465	81.7
281.10782	1.6
283.15332	3.6
287.11627	1.5
301.16458	17.1
385.13620	1.4
393.26135	4.0
411.27399	7.4
423.21722	2.3
423.27405	44.6
431.27728	1.6
437.29477	1.5
477.28574	2.6
487.18240	2.9
495.29495	70.2
513.23401	2.5
513.30511	26.0
542.60767	1.5
693.32391	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	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.7
55.01875	2.3
55.05257	1.3
55.05507	14.0
55.41482	0.7
56.86917	0.7
57.03433	15.1
60.45274	0.7
61.02912	3.5
62.27181	0.8
65.03933	1.3
67.05500	22.9
69.03428	4.6
69.07066	6.9
71.04991	5.5
71.34245	1.8
73.02912	1.3
79.05490	28.0
81.03415	80.5
81.07051	32.7
82.92104	0.9
83.04980	17.9
83.08131	1.6
83.08617	29.0
85.02903	33.3
85.03426	1.6
85.06535	2.5
87.04440	1.0
91.03971	1.7
91.05478	38.7
93.07042	18.4
95.04351	1.7
95.04961	33.7
95.08603	10.6
97.02885	5.2
97.06519	3.4
97.10167	4.2
99.08073	0.9
105.07026	24.9
105.93701	0.7
107.04945	9.4
107.08585	8.9
109.06527	6.6
109.10160	3.0
111.04449	3.0
111.08072	15.5
113.06006	4.3
115.05437	2.9
116.62006	0.7
117.06987	1.6
119.04980	1.2
119.08576	23.9
121.06492	2.6
121.10127	11.4
123.08074	3.5
123.11695	3.1
125.09615	1.4
127.07604	0.9
128.06204	0.8
129.06999	12.2
131.08556	15.4
133.06485	3.4
133.10129	14.3
135.11705	1.0
137.06001	0.8
137.09598	2.1
142.07774	3.2
145.10086	2.4
147.08018	4.8
147.11685	19.9
149.09601	7.0
157.10129	17.8
163.11194	1.6
165.12648	4.5
175.11186	18.7
189.11238	1.1
193.12241	60.3
211.13286	100.0
229.14581	0.9
238.61623	0.9
249.14763	1.3
267.12988	1.3
267.15909	37.5
285.16956	86.2
286.17252	1.0
349.21579	1.2
367.22638	2.4
385.23743	4.5
403.24707	1.4
433.25809	1.9
459.21152	1.4
459.27405	21.5
477.28442	25.8
495.29547	68.6
663.61212	1.0
676.11011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41596	1.3
53.03941	4.3
55.01867	6.1
55.05507	31.9
57.03425	19.4
57.07068	2.5
59.05001	5.0
61.02920	8.4
65.03931	2.6
67.05502	100.0
69.03417	4.9
69.07069	18.8
69.17068	1.3
69.49283	9.3
69.49693	3.0
71.01364	1.5
71.04986	7.3
73.02896	3.3
79.05053	2.8
79.05488	40.3
80.67323	1.5
81.03420	13.1
81.07053	78.1
82.50606	1.3
83.04987	9.6
83.08611	23.2
83.93847	1.5
85.02899	20.1
85.06521	4.7
87.04459	7.1
91.03946	4.7
91.05472	25.8
93.07037	39.1
93.62460	1.3
95.04979	6.9
95.08606	18.8
97.02872	6.2
97.06511	11.2
97.10163	16.1
97.41862	1.4
99.04408	2.0
99.08069	1.9
103.03934	2.6
105.07034	13.3
107.04953	3.4
107.08591	30.6
109.06511	2.8
109.10149	49.5
111.04419	3.3
111.08089	5.8
117.07010	8.0
119.08572	11.0
121.06535	3.0
121.10123	13.6
123.08089	2.9
123.11703	4.6
125.09634	13.1
127.03884	1.5
129.05464	4.7
129.06978	2.9
131.08557	8.9
132.09065	1.9
133.10121	15.2
134.01857	1.5
135.08072	2.0
135.11678	11.4
137.09572	2.0
139.11188	1.5
143.10622	2.4
145.10117	4.3
147.11627	3.5
149.13234	12.1
151.11116	1.8
153.12782	4.2
155.10600	2.9
159.11702	9.5
163.11179	9.8
165.12782	2.2
173.09581	1.8
173.11745	17.1
177.12790	4.5
181.12230	2.7
191.10664	4.5
193.12236	3.4
195.13792	16.3
196.14149	1.4
199.13277	8.3
209.11682	7.3
211.13335	4.4
213.14952	2.3
227.12749	9.2
229.14343	55.9
239.16425	3.6
246.07814	1.6
257.13840	1.9
267.15845	9.8
269.17465	61.6
283.15424	5.8
285.16986	1.8
301.16449	17.0
339.23163	1.9
372.50092	1.4
393.26041	1.9
411.27359	6.0
423.27435	31.5
431.27713	3.6
449.28668	1.9
495.29489	64.1
496.29407	2.2
497.62375	1.5
513.23633	2.1
513.30640	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01876	1.0
55.05510	3.7
57.03431	2.2
57.07071	0.8
59.05006	0.6
61.02919	4.8
67.05164	1.1
67.05503	15.3
69.03422	4.7
69.07056	3.0
71.01356	0.7
71.04988	2.0
71.08605	0.5
71.60188	0.8
72.08147	1.3
73.02918	4.4
79.05490	4.8
81.03413	4.9
81.07053	10.3
83.04974	1.4
83.08623	3.0
85.02901	5.7
85.06526	0.7
87.04476	0.7
90.33288	0.5
91.03966	3.8
91.05479	6.3
93.07038	7.6
95.04947	1.7
95.08607	5.8
97.02892	5.5
97.06555	0.9
97.10175	0.9
98.98465	1.1
99.04461	1.1
101.02383	2.0
105.07039	3.3
107.04983	0.8
107.08590	4.7
109.02876	1.6
109.06551	0.9
109.10151	10.9
111.04427	0.7
111.08099	1.0
117.07016	1.5
119.08591	3.0
121.10155	2.6
123.11731	1.0
125.92779	0.6
127.03936	2.1
129.07004	1.0
131.08588	1.6
133.10153	1.1
135.11697	1.7
137.09628	0.8
143.08603	0.6
145.10143	1.9
147.11700	1.3
149.13264	1.3
157.10175	0.9
159.11711	0.9
161.13345	0.7
163.11163	1.4
170.05707	1.1
173.11725	2.0
173.13101	0.6
195.09972	1.1
195.78775	0.5
227.12675	0.7
229.14352	1.0
243.08473	1.7
257.56393	0.6
269.17667	0.9
270.64755	0.6
283.15408	0.6
311.25781	1.0
335.25739	1.1
413.17795	11.7
519.29272	5.2
519.36981	3.7
522.38562	0.7
529.38568	2.0
547.39966	0.8
655.41681	0.7
673.43689	1.0
691.40240	100.0
692.41034	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86960	0.5
53.03938	1.5
55.01872	1.4
55.05514	3.6
57.03426	2.3
57.07073	1.5
61.02924	4.1
62.06324	0.7
65.03911	1.1
67.05499	18.4
69.03430	5.4
69.07067	3.8
70.19653	2.2
71.01372	0.8
71.04969	1.9
71.08618	0.8
72.08144	1.9
73.02906	4.0
75.24799	0.6
79.05482	7.7
81.03409	6.3
81.07058	10.6
83.04991	3.0
83.08613	2.9
85.02889	6.5
85.06549	0.7
89.68522	0.6
91.03954	2.0
91.05473	6.4
93.07038	6.5
95.04958	2.8
95.08593	7.9
97.02883	6.5
97.06508	1.3
97.10213	1.0
98.21455	0.7
98.98470	1.4
99.04458	1.7
101.02375	2.2
102.33985	0.7
104.71495	0.7
105.07019	3.1
107.04934	1.1
107.08592	4.3
109.02866	1.8
109.06513	0.8
109.10149	9.2
109.10828	1.0
111.04447	0.8
111.08112	0.7
117.06975	1.5
119.08562	4.3
121.10138	3.6
123.08080	0.9
123.11710	1.1
127.03938	2.3
129.07033	1.3
131.08572	2.1
133.10127	1.8
135.11719	3.2
142.07848	0.7
145.10109	3.1
147.11720	1.9
149.13257	0.9
155.08449	0.7
157.10138	1.5
159.11728	1.2
163.11209	1.6
165.12730	0.9
170.05774	1.0
171.11707	0.6
173.11745	2.2
183.11807	0.8
195.09953	0.8
211.13373	0.8
227.12746	1.3
229.14267	1.4
237.22093	0.7
243.08466	2.3
267.15930	1.4
269.17395	0.9
335.25903	1.0
337.27502	1.3
378.20840	0.8
413.17728	10.1
519.29272	3.5
519.36932	3.5
522.39014	0.9
529.38934	1.5
691.40204	100.0
692.40399	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	691.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01881	1.1
55.05501	4.0
56.46582	0.7
57.03425	1.9
61.02934	4.0
64.21680	0.9
67.05502	9.2
69.03428	3.1
69.07065	2.5
71.05010	1.3
72.08157	1.5
73.02906	4.2
79.05489	10.9
81.03412	4.0
81.07055	10.9
83.04980	2.5
83.08618	2.4
85.02876	3.5
85.06531	0.9
88.62555	0.9
91.03948	2.0
91.05480	8.6
93.07033	8.9
95.04971	3.5
95.08612	5.8
97.02912	3.9
97.06528	1.3
97.10185	2.1
101.02391	1.5
105.07011	4.4
107.04972	2.3
107.08568	4.6
109.02893	1.2
109.06520	2.3
109.10158	2.9
111.04462	1.5
115.04069	0.7
117.07004	1.7
119.08587	5.4
121.06522	1.6
121.10136	2.3
123.08061	1.7
125.09673	1.2
127.03941	1.1
129.06996	1.7
131.08542	1.9
133.10167	2.8
135.08174	1.0
135.11699	3.9
145.06516	0.8
145.10126	3.2
147.08066	0.9
147.11642	3.7
149.02374	0.9
149.13318	1.3
163.11206	5.0
171.06372	0.8
171.11739	1.9
181.12216	1.6
189.11157	0.9
191.10829	0.7
193.04948	1.0
207.13843	0.7
221.15186	0.6
223.13432	1.0
227.12767	3.4
240.35710	0.7
243.08504	2.2
247.13045	1.1
249.10982	9.2
273.18555	2.2
291.19559	2.3
365.23260	2.0
465.20905	11.6
467.19003	6.4
480.30200	0.9
494.31015	0.8
592.26404	0.9
691.32947	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	690.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92730	1.4
53.03940	4.3
53.26495	1.8
55.05516	13.2
57.03432	6.2
57.07057	2.9
61.02917	2.0
65.03940	2.1
67.05502	53.5
69.07056	11.1
70.47003	5.1
70.47370	2.6
71.04993	4.2
79.05489	49.0
81.03425	9.9
81.07056	65.8
83.04977	8.7
83.08606	6.9
85.02886	2.8
85.06522	4.7
91.04961	2.6
91.05479	34.9
93.07038	48.4
94.49914	1.5
95.04972	16.8
95.08607	23.0
97.02877	2.4
97.06512	6.7
97.10162	2.6
105.07030	27.9
107.04944	4.4
107.08586	22.9
109.06500	6.3
109.10140	8.2
111.08070	2.7
117.06994	7.7
119.08572	14.8
121.06480	3.4
121.10135	6.4
123.08078	2.5
123.11705	6.0
127.07494	1.8
128.06180	1.7
129.06998	10.2
129.36205	1.5
131.08563	7.8
133.10136	12.7
135.11697	4.9
143.08549	6.1
145.10098	6.0
147.11688	23.0
149.13245	6.7
151.11234	2.1
159.11667	6.1
161.09590	2.1
161.13243	5.0
169.24802	1.7
171.11668	14.7
177.12747	3.2
187.13260	3.4
189.12737	4.6
195.13838	3.2
207.13794	14.6
221.59238	1.7
225.14899	2.0
226.54712	2.0
243.15947	9.3
269.17474	8.5
276.91101	1.6
281.17471	32.4
287.18494	12.2
343.78333	1.6
449.28961	100.0
461.29001	3.2
475.30539	58.8
493.31650	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44149	0.6
51.02367	0.6
53.03934	1.2
55.01873	3.4
55.05258	0.8
55.05506	10.5
57.03180	0.9
57.03435	11.1
57.07065	0.7
61.02917	2.0
65.03923	1.0
67.05502	20.9
69.03431	3.3
69.07063	6.6
71.04991	5.0
71.60571	1.2
73.02911	2.3
77.03938	0.8
79.05486	28.0
81.03414	39.8
81.07052	27.4
83.04974	9.1
83.08613	18.4
85.02900	15.2
85.06553	1.5
85.19529	0.6
91.03929	1.1
91.05475	21.7
93.07039	34.8
95.04966	17.7
95.08604	32.9
95.09230	0.9
97.02879	6.7
97.06537	4.6
97.10144	2.9
99.04456	4.4
99.08111	0.7
103.05495	0.7
105.07024	16.6
107.04947	10.8
107.08592	24.8
107.99390	0.6
109.06511	4.0
109.10149	3.8
111.04431	2.3
111.08068	6.4
113.05988	1.7
115.05465	0.9
117.07014	8.5
119.08578	18.3
121.06480	5.5
121.10140	14.7
123.08070	2.1
123.11674	1.3
125.06006	2.7
125.09635	1.0
127.03881	0.7
127.07500	0.6
129.05510	0.8
129.06987	7.9
130.07747	1.3
131.08569	6.7
133.06453	1.4
133.10130	10.0
135.08078	1.3
135.11684	41.1
137.09612	1.5
139.07550	1.7
142.07779	1.2
143.08524	0.7
145.06480	0.8
145.10112	25.3
147.08069	2.2
147.11678	10.8
149.09615	3.6
150.12398	0.6
151.11143	0.5
153.12770	1.5
153.62236	0.5
157.10123	9.9
163.11172	54.9
164.11522	0.7
165.12775	2.4
173.09578	0.7
175.11182	10.3
181.12219	10.1
191.10747	0.8
193.12230	25.7
209.11819	1.7
211.11597	0.5
211.13283	32.9
227.12769	64.0
228.13005	0.7
229.14200	0.6
239.12839	0.6
249.15039	0.7
267.12967	1.1
267.13751	0.5
267.15884	29.9
283.15384	62.1
284.15744	1.1
285.16940	51.3
286.17361	0.9
398.64761	0.6
475.26874	32.0
476.27414	0.9
493.27942	100.0
494.28400	2.6
690.32294	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.4
53.03951	9.4
55.01871	5.4
55.05254	2.5
55.05507	28.8
57.03436	10.6
57.07069	2.7
61.02911	9.1
65.03944	1.6
67.05501	53.9
68.87135	1.4
69.03426	22.0
69.07060	20.9
69.36007	9.5
69.36433	4.8
70.22823	1.5
71.04994	9.1
71.08603	1.6
73.02902	5.9
73.98757	1.3
79.05096	1.0
79.05487	45.8
81.03417	57.8
81.06573	3.5
81.07052	66.6
83.04977	16.6
83.08620	10.6
85.02900	15.2
85.06532	5.9
91.03950	5.1
91.05475	45.4
93.07040	44.2
95.04969	11.8
95.08601	43.4
97.02885	26.7
97.06527	6.1
97.10168	6.6
99.04450	7.0
99.08074	2.5
103.05483	1.6
104.99531	1.7
105.07021	40.9
107.04967	5.0
107.08585	26.5
107.09290	2.0
109.02853	9.7
109.06537	5.4
109.10155	14.6
111.04440	4.6
111.08078	3.9
113.09662	1.5
115.05505	3.3
116.06253	1.7
117.07011	21.8
119.08581	30.0
121.06523	3.0
121.10139	20.1
123.08086	4.9
123.11694	6.6
125.09601	3.0
127.03906	13.2
128.06215	4.4
129.05458	6.0
129.06992	18.5
131.08557	29.4
133.06477	5.1
133.10129	21.2
135.08038	2.5
135.11649	12.2
137.09586	1.9
137.13287	1.8
139.11133	1.4
141.07014	6.7
142.07816	3.2
143.08557	18.1
144.09340	2.8
145.06496	4.2
145.10106	26.7
147.11659	21.4
149.09633	4.4
149.13272	7.7
151.07521	2.0
151.11227	1.9
154.07802	1.7
155.08524	13.1
156.09360	2.6
157.06444	1.7
157.10118	18.1
159.08055	3.2
159.11691	15.9
161.09641	3.1
161.13228	7.3
163.11220	3.0
163.14859	3.2
165.12779	5.6
167.08597	5.4
169.10063	13.2
171.08131	2.7
171.11694	18.3
173.04465	11.9
173.09669	1.9
173.13232	11.3
175.11172	2.8
175.14839	3.0
177.12755	5.4
179.08583	3.0
181.10121	8.3
183.11679	16.2
185.09663	2.2
185.13272	10.6
187.11157	1.7
187.14870	4.8
189.12663	1.7
193.10115	3.2
193.12332	2.3
195.11719	10.6
195.13557	2.3
197.09653	2.3
197.13188	8.3
199.06033	2.3
199.14865	6.6
201.12642	1.9
207.11728	3.3
209.09596	1.7
209.13289	6.3
211.14856	6.1
213.16417	2.4
221.13318	2.6
223.14861	4.5
225.16267	1.7
227.17851	2.4
229.14386	2.9
235.14906	1.7
241.19507	3.6
243.21136	2.3
257.18964	3.6
259.20560	7.1
261.22214	5.9
265.71457	1.7
267.15720	7.5
269.17288	7.0
271.20615	3.1
273.18442	2.0
273.22189	1.7
275.20117	3.2
277.21695	2.0
283.20471	2.1
285.16791	1.9
299.19940	1.9
299.23566	1.9
301.21732	2.9
309.22064	1.5
309.72638	1.5
321.16962	1.9
321.22177	1.6
323.23776	1.8
327.23129	2.7
327.26797	1.8
333.24109	5.2
335.25812	4.6
337.16599	1.8
339.18311	2.1
367.22708	3.0
369.24377	2.5
385.23816	2.4
387.25876	1.7
411.20023	1.6
413.21863	3.4
417.31564	2.3
435.32455	9.7
453.33539	9.4
491.34540	2.0
509.36273	6.2
517.38885	2.5
525.35352	2.2
527.37305	100.0
528.37567	6.3
529.38647	2.2
531.49939	1.7
539.36938	2.0
543.36102	1.7
545.38300	9.1
569.38159	3.0
579.36658	2.3
597.37756	2.1
617.38489	2.7
623.39557	2.2
635.39136	7.6
653.40149	7.0
671.41547	9.7
689.42566	44.6
690.42743	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	689.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	2.0
51.02374	1.8
53.03946	14.4
55.01875	12.7
55.05267	3.3
55.05509	37.2
55.35860	1.9
55.43729	2.0
56.98444	2.1
57.03434	18.0
57.07069	4.1
61.02920	3.1
65.03926	6.2
66.05177	1.8
66.38699	1.8
67.05503	88.9
69.03428	32.9
69.06781	2.0
69.07068	24.6
71.01345	5.1
71.04995	10.7
73.02890	3.6
75.56695	1.7
79.05486	72.0
81.03413	100.0
81.07053	90.0
82.07377	2.4
83.04979	19.7
83.08611	23.3
85.02898	15.0
85.06525	4.0
91.05471	72.3
92.05779	2.0
93.06465	4.5
93.07043	73.9
93.26647	2.1
95.04968	50.7
95.08604	51.6
97.02888	23.0
97.06509	7.9
97.10142	6.9
99.04446	9.4
99.05032	1.8
99.08089	4.2
103.03939	2.8
103.05444	3.4
105.07021	53.5
105.07674	4.3
105.65219	2.0
107.04945	14.6
107.08595	40.2
109.02900	13.8
109.06522	11.3
109.10152	21.8
111.04439	9.4
111.08088	11.9
113.06009	2.0
115.05396	4.2
117.07000	25.6
119.08575	39.3
121.06484	9.8
121.10145	31.2
123.04432	11.1
123.08035	7.2
123.11706	8.4
125.09591	4.8
127.03895	12.8
128.06210	5.7
129.06982	19.1
131.04909	4.6
131.08556	32.3
133.06490	6.0
133.10121	27.1
135.08025	6.7
135.11710	17.8
137.09612	5.4
137.13185	2.7
141.06918	5.0
142.07750	3.4
143.08540	14.3
145.06456	5.3
145.10129	22.0
145.39539	2.0
147.04364	5.5
147.08040	7.6
147.11662	25.3
149.09622	5.5
149.13229	7.4
155.08543	8.4
157.06566	3.0
157.10104	19.1
159.08003	3.9
159.11679	17.3
161.09589	6.4
161.13197	8.9
163.11201	8.8
163.14868	2.6
165.12711	5.1
167.08522	3.1
169.10164	8.1
171.07993	2.6
171.11713	11.1
173.04451	5.4
173.09540	4.8
173.13190	9.6
175.11174	9.0
175.14977	4.6
177.12729	4.5
181.10133	3.8
183.11667	7.3
185.13219	7.8
187.11113	3.5
187.14841	3.1
189.05467	3.3
189.12755	3.7
191.10660	4.7
193.12239	27.3
195.11797	2.6
197.13274	5.2
199.11168	3.5
199.14790	4.2
199.53896	2.4
201.12779	2.8
207.13527	2.8
209.13306	2.8
211.13258	34.3
211.15187	2.2
213.12692	2.6
217.12291	3.0
219.13803	2.1
221.34560	1.9
223.15047	2.5
225.12778	2.5
227.12770	6.0
229.14362	2.2
231.13962	2.7
235.13200	11.0
241.19478	3.1
249.14745	4.0
259.13281	5.0
259.20505	6.1
261.22153	6.8
267.15833	9.6
273.14767	6.6
273.18631	2.1
275.19925	3.1
279.04889	2.2
285.17035	5.6
301.14270	9.3
301.21603	2.2
303.23294	2.2
309.17004	3.0
313.21732	2.4
319.15234	2.6
335.25809	21.5
337.16391	2.9
351.23233	3.7
355.17276	3.9
359.66864	2.5
369.24310	5.7
387.24939	2.3
393.18912	3.2
411.20071	7.7
425.26633	2.5
443.28030	2.0
453.33487	3.1
461.28809	4.1
471.34055	2.9
473.33679	2.3
509.36218	2.4
525.34668	2.3
527.37219	25.2
543.35107	2.1
545.38287	5.6
569.38049	3.3
611.39343	2.7
635.39362	4.6
653.40070	10.7
665.39301	2.3
671.41339	13.1
689.42450	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.3
53.03943	14.6
53.75304	1.4
55.01862	9.3
55.05508	33.0
56.05854	1.4
57.03437	16.3
57.07067	4.4
59.43767	1.4
61.02923	4.9
65.03931	4.7
67.05499	86.0
68.05831	2.2
69.03427	35.5
69.07061	23.6
71.04980	10.6
73.02914	4.7
73.17734	1.5
77.03936	2.2
79.05488	74.9
79.05957	3.6
80.05808	2.0
81.03411	100.0
81.07050	94.0
82.07369	2.6
83.04978	20.5
83.08612	20.5
85.02897	20.0
85.06549	4.4
91.03958	2.6
91.05474	68.4
92.05821	1.6
93.07037	69.9
93.29990	1.6
94.86411	1.8
95.04961	29.3
95.08602	52.5
96.08921	1.7
97.02888	29.3
97.06525	10.3
97.10170	7.7
99.04459	9.6
99.08121	2.3
101.02365	2.4
103.04009	1.7
103.05468	3.0
105.07020	53.5
106.07367	2.1
107.04966	10.5
107.08590	35.8
109.02877	18.8
109.06524	10.3
109.10146	18.0
111.04435	11.5
111.08080	9.7
113.06040	2.0
114.16360	1.3
115.03980	1.5
115.05479	2.5
117.07018	25.3
119.04974	1.5
119.08574	39.7
121.06486	7.2
121.10135	30.8
122.10488	1.8
123.04424	1.9
123.08103	3.9
123.11710	8.4
125.09649	3.1
127.03898	14.6
127.07569	2.2
128.06233	5.4
129.05490	4.2
129.06990	18.6
131.04919	3.6
131.08557	36.4
131.09506	2.2
132.08974	1.8
133.06519	5.8
133.10110	27.0
135.08083	5.9
135.11693	17.0
137.05975	1.7
137.09625	4.0
141.06999	5.8
142.07834	4.4
143.08556	17.6
145.06505	2.7
145.10115	19.8
147.08080	4.4
147.11671	27.4
147.12749	2.5
149.09669	6.5
149.13240	9.1
151.11159	2.8
153.12688	2.3
154.07710	1.7
155.08534	8.2
157.06490	1.8
157.10101	18.3
159.08084	3.7
159.11678	15.3
161.09639	3.5
161.13249	8.4
163.11243	5.5
165.12711	7.3
167.08556	4.9
169.10097	10.8
171.08032	3.5
171.11681	10.1
173.04445	12.1
173.09685	3.6
173.13269	10.3
175.11183	8.9
175.14838	3.9
177.12746	2.7
179.08589	2.4
181.10210	4.9
181.12265	4.1
183.11630	7.6
185.09573	1.7
185.13281	10.2
187.11098	2.7
187.14868	4.3
189.12814	1.8
191.10661	2.1
193.10454	2.3
193.12238	26.3
195.11736	5.1
195.13846	2.6
197.13252	8.0
199.11145	2.6
199.14882	5.3
201.16373	2.0
203.14471	1.9
209.13286	3.9
211.13235	38.2
213.16507	3.6
221.13344	2.3
223.14862	3.1
227.12828	4.4
229.14394	3.8
241.19548	2.7
243.21106	2.6
257.19220	2.3
259.20706	4.8
261.18643	1.7
261.22238	5.6
267.15845	10.2
269.17609	3.3
273.15213	1.9
273.18744	3.0
273.22229	1.9
275.20062	2.8
277.21588	2.4
283.15503	1.9
283.20547	1.6
285.17081	5.6
289.21451	1.5
291.19534	2.6
301.21826	2.4
315.23474	1.6
323.23676	2.1
327.23370	2.1
333.24414	3.9
335.25693	13.3
337.16418	1.9
351.23331	3.2
355.17667	2.5
369.24185	7.0
387.25012	1.7
405.26483	2.2
411.20370	4.3
417.31531	1.8
435.32864	6.7
443.28122	2.3
453.34027	3.1
461.29340	3.1
509.36414	2.1
527.37268	44.5
528.37762	2.2
539.36859	1.8
545.38477	7.4
635.39178	3.2
653.40839	7.9
671.41095	7.9
689.42517	66.0
690.42731	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	689.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.4
55.01863	6.3
55.05257	2.4
55.05510	28.4
57.03434	15.2
57.07064	3.3
61.02931	9.8
65.03931	2.5
67.05500	63.3
69.03072	2.3
69.03423	21.8
69.07063	27.1
69.92370	8.6
71.01337	2.4
71.04991	10.8
73.02907	5.5
79.05489	53.5
81.03416	58.6
81.07052	69.8
82.07436	1.5
83.04977	16.3
83.08606	12.9
85.02893	16.1
85.06525	5.4
91.03954	4.6
91.05478	51.4
93.06464	2.9
93.07034	51.1
95.04958	29.0
95.08607	41.0
97.02882	23.6
97.06535	8.6
97.10162	5.7
99.04440	7.1
99.07994	2.0
101.02374	2.1
103.03925	2.2
103.05457	3.4
105.07030	36.9
107.04944	14.5
107.08598	29.3
109.02877	13.5
109.06509	11.5
109.10139	16.6
111.04417	6.2
111.08065	4.5
113.06002	1.9
115.05444	4.6
117.07021	23.2
119.08575	31.8
120.02739	2.2
121.06496	6.7
121.10131	18.6
123.04421	7.3
123.08058	3.8
123.11700	5.2
125.09663	2.7
127.03912	9.0
128.06213	6.4
129.05461	4.6
129.06998	15.3
131.04922	2.1
131.08548	30.2
133.06464	6.4
133.10123	21.2
135.08032	5.1
135.11664	10.2
137.09584	2.6
141.06979	6.2
142.07799	5.6
143.08565	21.0
145.04924	2.0
145.06476	6.5
145.10118	24.2
147.04402	2.3
147.08054	6.5
147.11670	19.9
149.09593	4.6
149.13266	8.9
151.07492	2.2
153.07005	2.7
155.08549	11.7
156.09248	2.0
157.10123	15.3
159.07974	2.0
159.11684	21.8
161.09592	5.9
161.13258	6.1
163.11131	5.3
163.14876	2.4
165.12755	5.7
167.08527	4.8
168.09329	2.3
169.10133	13.9
171.08069	3.2
171.11676	17.1
173.04457	24.2
173.05830	3.3
173.09586	3.3
173.13243	10.8
175.06010	2.8
175.11150	4.6
175.14868	2.5
177.12733	2.7
178.77693	1.7
179.08443	3.1
181.10095	5.7
183.11705	13.5
185.09608	2.8
185.13277	13.0
187.11191	2.8
187.14798	5.0
189.05339	2.0
189.11235	2.2
189.12747	3.4
193.12181	3.2
195.11684	5.5
195.13583	3.3
197.13229	10.0
199.11089	1.9
199.14780	5.4
201.16339	2.5
205.10153	2.3
205.15936	1.8
207.11740	1.9
209.13286	5.5
211.13133	2.6
211.14908	3.4
213.12730	1.9
213.16432	3.4
221.13319	1.9
225.16357	2.7
231.40840	1.9
233.15366	2.0
235.13284	7.5
239.18047	2.1
259.13272	2.5
259.20624	6.3
261.22000	2.5
267.15924	8.7
267.62576	1.6
269.17462	5.7
273.14783	5.1
273.18536	4.1
275.20090	2.0
285.16583	2.1
291.19424	15.2
297.22156	2.4
301.14291	6.2
331.53085	1.7
335.25763	8.2
339.23126	2.4
365.23618	3.1
367.22565	3.2
375.17630	2.2
387.25244	2.4
393.18701	1.9
407.33517	2.5
411.20108	2.6
417.31644	1.7
435.32709	7.9
453.33578	4.5
471.34540	2.3
509.35815	4.9
515.36914	2.1
517.38525	4.6
525.35443	5.0
527.37286	100.0
528.37494	5.5
539.37512	2.3
543.35699	2.8
545.38123	8.5
569.38159	5.4
593.38538	1.9
597.37598	2.6
602.23999	2.4
625.37061	3.8
635.39172	6.0
653.40436	8.9
671.41382	11.2
689.42474	51.6
690.42633	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
55.01871	8.2
55.05509	29.5
57.03432	12.4
57.07069	3.7
61.02917	10.0
65.03926	5.4
67.05497	66.7
67.95387	1.5
69.03422	20.9
69.07062	20.6
70.02567	3.1
70.02983	5.9
70.55959	1.5
70.56417	1.6
71.01337	1.5
71.04975	8.7
71.67348	1.9
73.02901	8.4
79.05488	51.8
81.03411	45.6
81.07050	79.0
83.04986	10.5
83.08613	12.8
85.02903	16.8
85.06525	5.3
91.03948	6.7
91.05470	54.0
93.07037	60.6
95.04958	19.6
95.08600	41.1
97.02885	26.9
97.06519	7.7
97.10172	5.4
98.48917	1.7
99.04440	7.4
99.08103	2.4
101.02354	1.6
103.03956	1.9
103.05428	1.9
105.07023	43.7
107.04964	6.5
107.08586	35.3
109.02860	12.1
109.06519	6.2
109.10159	12.3
111.04449	2.4
111.08069	3.2
115.03916	2.2
115.05460	3.3
117.07014	25.3
119.08570	36.9
121.06514	6.0
121.10132	25.0
123.04416	4.6
123.08057	6.2
123.11706	9.8
125.09665	3.1
127.03934	11.0
128.06212	5.8
129.05486	3.4
129.06998	19.0
130.07741	1.9
131.08557	34.1
132.08905	1.7
133.06483	3.6
133.10121	26.2
135.04379	2.0
135.08032	4.2
135.11685	15.1
137.09587	2.9
139.11182	2.0
141.07001	6.4
142.07791	4.5
143.08569	17.3
144.09302	2.2
145.06482	3.1
145.10106	24.4
147.08086	4.0
147.11678	21.0
149.09608	3.8
149.13240	9.0
154.07741	2.2
155.08563	13.0
157.06485	2.1
157.10138	21.4
159.08000	2.0
159.11678	21.5
161.05998	2.4
161.09669	3.1
161.13287	8.7
163.11154	4.5
163.14818	1.9
165.07034	2.4
165.12744	7.6
167.08568	4.6
168.09424	2.0
169.10136	14.7
171.08046	2.6
171.11691	16.9
173.09618	2.1
173.13257	12.1
175.11166	4.6
175.14821	1.9
177.12718	3.8
181.10178	9.4
183.11693	12.3
185.09625	3.1
185.13260	11.8
187.11250	2.6
187.14960	3.6
189.12741	2.9
191.08844	1.6
193.10132	3.4
193.12164	2.9
195.11703	6.8
195.13803	4.3
197.13148	9.8
199.11186	2.5
199.14818	4.8
205.12282	2.3
207.11681	2.9
209.13242	4.9
211.11156	2.0
211.14790	5.8
213.12613	1.9
213.16449	4.1
215.14427	2.5
221.13290	2.3
225.16411	3.4
227.14314	1.8
229.14284	2.3
235.13327	5.3
237.12561	2.2
239.17946	2.5
241.19550	6.5
257.18912	3.3
259.20575	11.2
261.22073	5.9
267.15915	12.2
269.17511	7.5
271.20471	2.5
275.20007	3.0
282.93326	1.6
285.16980	5.1
287.19989	1.8
295.20465	1.8
297.21970	2.5
301.14304	4.8
301.21625	2.5
313.21478	2.4
318.14734	1.8
321.21890	3.4
323.23553	2.1
325.21771	2.3
333.24548	7.9
335.25885	10.3
339.18311	2.2
339.23212	3.1
351.23233	3.5
367.22662	3.6
369.24225	3.8
375.18161	2.5
375.25406	2.6
385.23648	3.7
413.21530	4.7
417.31448	3.6
423.53760	1.7
435.32132	8.2
441.26608	2.4
453.33539	4.7
501.35803	3.0
509.36188	4.1
525.35858	4.1
527.37244	100.0
528.37610	5.0
543.36322	3.8
545.37976	4.7
569.38409	5.6
623.39557	3.0
635.39221	10.1
653.40698	8.7
671.41437	14.3
689.42523	35.5
690.42297	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	689.425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.8
53.03939	11.5
53.22021	1.5
55.01871	5.9
55.05267	1.5
55.05511	25.2
57.03428	14.4
57.07071	2.4
61.02921	11.3
65.03928	3.3
67.05499	58.5
69.03428	23.1
69.07069	20.9
69.38727	15.2
71.01352	2.0
71.04994	9.9
73.02911	8.1
78.75256	1.5
79.05053	3.0
79.05490	48.2
81.02910	1.9
81.03412	64.6
81.07051	70.0
83.04975	15.8
83.08618	15.0
85.02898	13.4
85.06535	4.7
91.03948	5.7
91.05475	48.4
93.07037	45.0
95.04961	14.1
95.08601	39.4
97.02883	26.6
97.06528	6.0
97.10162	5.1
99.04446	6.5
99.08091	1.9
101.02464	1.8
105.04533	2.1
105.07021	38.7
107.04963	7.1
107.08595	29.3
109.02875	8.4
109.06510	5.6
109.10146	17.5
111.04439	4.7
111.08068	5.7
113.02323	2.3
115.05446	3.6
117.07006	23.0
119.08572	29.2
121.06473	2.7
121.10138	22.2
123.08031	3.8
123.11659	8.1
125.09579	2.1
127.03904	11.9
127.07498	1.6
128.06241	4.7
129.05473	5.3
129.06987	17.6
131.08557	37.0
133.06523	2.9
133.10120	21.4
135.08063	5.3
135.11691	13.4
137.09615	4.6
141.06995	9.2
142.07777	1.9
143.08565	22.8
145.05045	2.3
145.06497	3.7
145.10101	23.6
147.08051	2.3
147.11688	21.5
149.09607	4.3
149.13300	10.1
153.06956	1.9
155.08543	14.7
157.06543	2.4
157.10130	19.1
159.08009	3.0
159.11678	20.2
161.09599	3.1
161.13211	7.9
163.11160	3.8
163.14807	2.6
165.07022	1.8
165.12756	6.5
167.08569	6.4
169.10109	14.1
171.07965	2.2
171.11664	15.0
173.04414	10.2
173.05838	1.7
173.09679	1.8
173.13280	11.7
175.11211	5.4
175.14795	3.6
177.12762	3.7
181.10085	8.6
182.10944	1.8
183.11649	15.1
185.09572	2.6
185.13248	12.9
187.11192	3.5
187.14810	5.9
189.12733	1.8
193.10167	2.5
193.12102	2.4
195.11720	7.3
195.13712	3.2
197.09624	2.1
197.13246	10.0
199.11209	2.3
199.14803	7.3
201.16385	3.2
207.11729	2.1
209.13272	6.0
211.14784	7.4
213.12773	2.3
213.16475	3.1
215.18079	2.1
221.13213	2.8
223.14796	5.8
230.32895	1.6
239.17972	3.2
241.19478	4.0
257.19019	2.8
259.20627	6.7
261.19385	1.7
261.22113	5.4
267.15945	8.8
269.17560	6.8
273.18213	1.9
273.22128	2.1
275.20233	1.9
277.21869	2.1
283.20480	1.9
285.22128	1.7
289.21777	2.2
309.22339	2.2
311.23535	1.8
313.21637	2.9
315.23138	1.6
333.24448	3.6
335.25784	6.7
351.22995	2.0
369.24203	3.1
385.23959	2.2
417.31229	2.6
435.32584	13.7
453.33511	5.2
471.34521	3.7
489.34549	1.9
501.35159	2.1
509.35907	8.8
517.38605	4.7
519.33929	2.0
525.35498	3.7
527.37299	100.0
528.37701	8.3
529.38837	3.7
539.37323	3.6
541.39093	2.0
543.36554	2.8
545.38452	9.7
569.37927	2.2
635.38824	3.7
653.40662	8.1
671.41486	12.1
672.41772	2.1
689.42511	47.4
690.42596	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	689.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.01856	0.7
55.05505	1.3
57.03425	1.1
57.26724	0.3
58.34493	0.3
61.02917	2.9
67.05502	3.4
69.03419	2.1
69.07063	0.8
69.60468	0.3
71.01312	0.4
71.04999	0.4
73.02912	2.8
77.65044	0.4
79.05482	4.9
81.03416	2.0
81.07058	3.2
83.04979	0.7
83.08607	0.5
85.02905	3.3
85.06491	0.3
88.03528	0.3
91.03944	2.2
91.05474	4.5
93.07037	4.7
95.04970	1.6
95.08591	1.8
97.02880	2.4
97.06525	0.5
99.04420	0.4
100.47890	0.3
101.02377	1.6
101.12378	0.3
105.07031	3.1
107.04916	0.8
107.08591	1.0
109.02888	0.9
109.06551	0.5
109.10126	0.4
115.05438	0.4
116.53890	0.3
117.07003	0.8
119.08564	2.2
121.10172	0.3
123.08108	0.4
127.03916	0.9
129.07018	1.4
133.10121	1.4
139.88809	0.3
143.08560	0.9
145.10107	0.8
147.11682	2.8
147.18748	0.4
161.13327	0.7
171.11697	2.5
185.04306	0.6
189.12691	0.8
207.13800	0.6
243.08344	2.1
247.13034	2.3
257.59695	0.4
281.17407	0.8
283.13995	0.4
303.15833	0.7
310.05826	0.4
465.20959	14.5
527.30255	0.5
689.35022	100.0
690.34967	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	688.454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42534	0.6
53.03943	1.9
55.01882	0.8
55.05518	6.2
57.07074	14.4
57.49234	0.6
59.60829	0.6
65.03944	0.9
66.56593	0.7
67.05502	15.7
69.07065	5.3
70.06583	2.9
71.08627	10.9
71.59306	0.5
72.08152	96.2
74.37502	0.7
79.05491	16.6
81.03427	2.3
81.06583	0.8
81.07058	15.0
81.30914	0.6
83.04967	3.1
83.08612	4.2
85.10197	3.9
87.73605	0.6
90.09182	1.4
91.05476	12.8
91.06007	1.0
93.07044	12.1
95.04964	6.2
95.08610	12.1
97.06548	0.9
97.10175	2.1
105.07016	10.0
107.04956	1.7
107.08597	3.7
109.06512	1.1
109.10159	3.9
111.69334	0.7
117.07036	1.5
119.08580	5.7
121.10142	1.3
123.08099	1.7
123.11729	0.7
125.68011	0.7
129.06998	4.1
131.08646	0.8
133.10132	2.4
140.84500	0.6
143.08580	2.7
145.10164	1.8
147.11679	7.5
161.09612	0.6
161.13268	2.9
162.47633	0.7
170.05771	26.6
171.11674	6.5
189.12779	3.1
207.13799	7.5
208.89658	0.7
225.14888	1.7
239.23749	1.4
313.27460	0.9
519.40430	100.0
520.40594	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	688.454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.1
55.05504	6.1
56.05028	0.9
56.32611	0.7
57.07072	16.1
58.06598	1.0
61.22750	0.6
65.03931	1.3
67.05495	17.1
69.07065	5.9
70.06583	3.3
70.48064	1.5
71.04996	0.7
71.08627	9.5
72.08149	100.0
79.05487	19.5
81.03426	1.4
81.07050	18.8
83.04981	3.1
83.08605	6.0
83.62286	0.6
85.10184	6.3
85.43684	0.6
91.05469	14.0
93.07034	12.9
95.04954	6.3
95.08598	14.2
95.09158	1.1
97.06506	0.9
97.10167	2.6
105.07014	8.6
107.04950	1.5
107.08595	3.1
109.06507	1.8
109.10148	4.0
112.40489	0.6
117.07034	1.9
119.08566	4.2
123.08079	1.3
123.11709	1.7
129.06995	2.9
133.10118	2.5
143.08571	2.2
145.10115	2.0
147.08043	0.7
147.11682	6.2
158.45436	0.7
161.09578	0.7
161.13290	1.5
169.63966	0.7
170.05765	51.6
171.11646	5.2
189.12712	1.2
190.88132	0.6
207.13824	7.0
225.14919	2.3
239.23679	1.9
309.86090	0.7
333.92462	0.6
519.40405	86.8
520.40967	2.5
533.41846	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	688.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89322	1.8
53.03936	6.8
55.01868	4.1
55.05511	17.4
57.03426	9.3
65.03944	2.4
67.05502	46.1
69.03412	6.3
69.07053	10.2
70.08411	2.0
71.04991	4.2
71.60583	2.9
72.08162	3.7
73.06570	1.9
79.05489	50.2
81.03419	40.3
81.07058	47.6
83.04976	16.6
83.08611	15.7
85.02894	13.1
85.06537	3.8
91.05472	48.7
93.07040	51.0
95.04958	30.0
95.08601	24.1
97.02889	5.9
97.06537	6.2
97.10177	4.1
105.04475	2.3
105.07037	36.0
107.04971	9.3
107.08584	19.6
109.02872	2.4
109.06528	7.9
109.10160	7.0
111.04466	3.9
111.08049	5.1
117.07037	10.4
118.07351	2.0
119.08582	26.8
120.93617	2.0
121.06547	3.6
121.10140	9.1
123.08067	4.6
123.11735	2.9
125.09580	3.2
128.06209	2.5
129.06996	20.6
129.46655	2.1
131.08571	13.1
133.06467	2.6
133.10117	14.4
135.08008	4.3
135.11696	4.9
137.09665	1.9
143.08556	7.1
145.10120	9.3
147.08084	4.0
147.11682	25.2
149.09637	6.7
149.13220	2.2
151.11249	3.6
153.53925	1.9
156.09358	2.2
157.10172	7.3
161.13268	6.7
163.11188	4.2
171.11688	18.6
175.11188	7.6
189.12747	9.4
193.06529	2.1
193.12244	21.6
203.14400	2.3
207.13770	13.1
211.13312	18.2
267.15942	23.0
269.17529	2.8
275.20013	2.7
276.20654	2.6
281.17432	57.6
283.15305	2.6
285.16891	17.6
312.47638	2.3
473.28958	60.0
491.30014	100.0
492.30350	2.5
528.56458	2.2
688.41077	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	686.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20355	0.5
53.03932	1.2
55.01868	1.0
55.05506	11.4
57.03432	12.9
57.07061	2.2
59.04989	3.8
61.02922	5.5
65.03935	1.1
67.05498	100.0
68.05838	1.7
69.03423	1.6
69.07062	9.9
69.42854	4.9
71.04988	3.1
71.08606	0.9
72.08155	1.3
73.02898	1.1
74.72462	0.5
79.05484	23.6
81.03427	0.5
81.07050	42.2
83.04967	1.6
83.08615	8.9
85.02895	5.5
85.06530	3.4
86.31909	0.5
91.03954	1.8
91.05473	14.5
93.07034	29.3
95.04947	3.0
95.08599	31.0
97.02884	1.8
97.06530	1.3
97.10168	2.3
99.08087	1.2
105.07011	6.3
107.08583	15.5
109.06531	1.4
109.10144	78.9
110.10484	0.6
111.08068	3.9
115.03931	0.6
117.07039	3.2
119.08563	11.6
121.09298	1.1
121.10136	12.0
123.08070	0.8
123.11697	4.1
125.09624	1.8
131.08560	7.5
133.10120	6.0
135.11676	9.7
137.09593	4.6
137.13235	1.0
143.08638	0.6
145.10092	4.9
147.11676	4.8
149.13254	5.0
151.27481	0.6
155.10646	5.0
159.11707	4.0
161.13229	4.1
163.14807	3.5
170.05740	1.0
173.10219	1.2
173.11752	23.8
173.13243	3.5
175.14824	1.6
177.16376	0.8
187.14783	1.8
189.11192	1.2
201.16371	1.1
227.12721	3.6
229.14326	94.0
230.14677	1.8
243.21048	6.4
261.22122	19.0
262.22446	0.9
263.23663	0.8
277.21719	0.6
279.23132	0.7
279.47775	0.6
299.23788	0.9
317.24649	3.8
329.70566	0.6
335.25760	90.5
336.26141	2.5
379.29703	0.9
397.30807	1.1
415.31821	1.1
471.34531	0.9
489.35721	65.8
490.36319	2.7
507.37057	2.8
517.38507	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.9
55.01867	17.1
55.05255	3.3
55.05507	39.4
57.03434	16.4
57.07048	3.2
61.02910	8.4
65.03939	9.6
67.05499	79.7
69.03426	43.3
69.07065	26.6
71.01326	2.7
71.04996	17.0
73.02908	7.2
79.05486	67.7
79.83345	2.0
81.03411	100.0
81.06570	4.9
81.07050	78.1
83.04978	21.4
83.08604	23.0
85.02893	24.4
85.06518	7.3
87.04429	2.6
91.03933	2.3
91.05472	73.2
93.07037	63.9
95.04964	30.0
95.08598	46.2
97.02888	21.1
97.06544	11.5
97.10144	12.0
99.04465	10.9
99.08095	3.9
101.02378	3.4
103.05488	3.9
105.07020	66.8
105.13219	2.1
107.04958	15.4
107.08582	29.9
109.02863	17.0
109.06506	14.1
109.10157	19.8
111.04461	10.1
111.08064	12.2
113.06020	2.8
115.05479	5.9
117.07009	32.1
119.04978	3.0
119.08563	52.5
121.06501	10.9
121.10124	25.5
123.04385	2.8
123.08056	8.2
123.11709	8.3
125.09629	8.4
127.03896	11.0
128.06218	8.6
129.05501	6.0
129.06985	33.1
130.07751	4.1
131.08562	48.0
133.06471	7.4
133.10115	32.5
135.04482	2.4
135.08057	7.6
135.11671	13.0
137.06003	2.6
137.09634	3.5
141.06953	14.8
141.09247	2.0
142.07787	8.3
143.08542	30.1
145.06511	6.3
145.10115	36.8
147.04327	2.2
147.08043	7.0
147.11671	30.3
149.09644	10.0
149.13303	8.6
151.11156	2.4
153.07024	4.6
153.09108	2.4
153.12740	4.0
154.07712	4.1
155.08549	20.3
156.09332	3.2
157.06506	4.0
157.10107	28.5
159.08078	8.2
159.11674	21.9
161.09630	5.9
161.13313	6.3
163.11237	10.8
165.07030	7.3
165.12823	4.2
166.07837	3.5
167.08501	12.7
168.09360	3.8
169.10106	21.2
171.08084	7.1
171.11665	22.3
173.04469	21.5
173.09645	5.1
173.13269	8.8
175.07504	2.2
175.11230	9.3
177.12784	4.1
179.08560	5.3
181.10132	13.6
183.07999	4.1
183.11681	17.5
185.09657	7.5
185.13280	11.2
187.11293	4.0
187.14861	4.4
189.11224	2.9
189.12776	3.4
189.16440	2.5
191.10764	3.9
192.09334	3.9
193.10138	7.6
193.12270	20.2
195.11731	13.5
195.13374	2.1
197.09567	6.8
197.13336	12.3
199.11145	4.7
199.14828	5.9
201.12762	5.6
201.16519	2.6
207.11720	7.2
207.13733	3.0
209.09911	2.4
209.13284	8.9
211.11307	5.4
211.13171	30.3
213.12718	3.3
219.11725	2.3
221.13225	5.8
223.11238	4.3
223.14819	5.3
225.13020	4.4
225.16473	2.9
227.12668	5.2
233.13300	5.9
237.12724	2.6
237.16359	3.4
241.19618	2.4
257.19003	7.7
259.08450	2.2
259.20551	8.7
267.15982	8.1
271.20410	2.4
275.20117	14.7
281.10577	5.1
285.16974	9.0
287.20120	3.9
299.11679	4.2
299.20245	3.9
301.14233	2.3
301.21741	3.2
307.20685	3.6
311.20001	2.8
313.21759	3.6
321.22211	5.5
323.23837	2.7
325.21613	7.4
339.18176	3.6
339.23071	4.3
343.22864	3.4
349.21796	7.2
351.23282	3.0
353.16113	5.4
353.66553	3.9
354.16199	2.3
367.22638	15.9
369.24347	5.9
385.23877	8.1
403.24652	2.6
415.29813	2.7
430.05872	2.3
433.31195	7.8
441.26300	6.4
451.32150	6.7
459.27505	4.2
488.31442	3.1
507.34732	4.9
515.37195	4.3
525.35681	55.6
541.34235	3.2
543.36755	12.3
567.37262	3.0
633.37921	5.6
639.38708	4.8
641.39984	2.5
651.39087	27.5
669.39868	24.5
687.40973	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60658	0.5
52.60921	0.6
53.03944	1.7
55.01869	1.0
55.05507	9.3
57.03429	13.3
57.07066	1.9
58.28366	0.5
59.04996	4.0
61.02918	4.4
62.97774	0.5
65.03938	1.9
67.05497	100.0
68.05830	0.9
69.03418	1.5
69.07061	8.8
69.42400	4.7
71.04977	3.9
71.08618	0.7
72.08131	2.5
73.02874	0.9
79.05486	21.2
81.03406	0.7
81.07050	39.2
82.07409	0.7
83.08612	9.3
85.02891	5.3
85.06536	2.6
91.03951	1.7
91.05470	13.3
93.07038	22.2
95.04966	2.1
95.08597	27.9
97.02874	2.4
97.06532	1.7
97.10149	2.2
98.21590	0.5
99.04426	0.6
99.08115	1.3
104.95040	0.5
105.07005	6.9
107.08584	13.7
109.06497	1.0
109.10144	79.4
109.31285	0.5
110.10467	0.8
111.08061	3.2
115.39793	0.6
116.06174	0.5
117.07037	3.0
119.08563	10.2
121.10136	12.1
123.11705	3.2
125.09586	1.3
131.08556	5.1
133.10126	4.1
135.11674	7.4
137.09592	3.3
137.13264	1.1
145.10109	3.7
147.10622	0.6
147.11673	3.8
149.13217	4.7
151.14864	0.6
151.81697	0.5
155.10614	4.0
159.11697	3.2
161.13216	2.2
163.14838	1.8
171.11678	1.0
173.11746	23.4
173.13225	2.7
175.14832	0.9
177.16371	1.1
181.54517	0.6
187.14778	1.7
189.11211	1.1
201.16203	0.5
227.12737	4.9
229.14326	93.0
230.14659	2.3
243.21036	4.8
261.22128	15.6
317.24960	2.9
335.25763	65.4
336.26007	2.1
379.00226	0.5
379.29871	1.1
397.31116	1.5
415.31781	1.5
447.81583	0.6
471.34528	1.4
489.35718	36.7
490.35843	2.4
507.36594	3.1
517.38733	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	686.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56357	1.9
55.01850	3.1
55.05515	9.8
57.03426	6.9
61.02921	3.0
65.03918	2.6
67.05499	26.3
68.92950	1.8
69.03423	3.6
69.07060	8.0
71.04994	4.3
71.59074	3.0
72.08167	11.3
73.86636	2.0
79.05490	40.0
81.03408	9.5
81.07050	24.1
83.04977	6.5
83.08606	10.1
85.02913	5.0
85.06546	2.7
91.05476	24.8
93.07037	39.9
95.04959	9.1
95.08608	29.1
95.44740	2.0
97.02887	5.6
97.10173	2.3
99.04441	3.6
105.07036	23.0
107.04963	6.6
107.08578	24.7
109.10156	3.8
117.06991	9.2
118.97300	1.8
119.08591	16.1
120.98043	2.3
121.06551	2.8
121.10141	10.1
123.08055	2.9
129.07016	7.1
131.08475	2.2
133.10124	8.7
135.11688	23.5
143.08542	5.0
145.10129	17.3
147.11662	13.8
161.09621	2.3
161.13206	3.9
163.11192	28.5
171.11674	9.5
181.12277	6.5
189.12729	4.6
207.13760	10.1
214.79213	2.2
227.12766	34.3
255.87117	1.9
257.01700	1.9
281.17465	64.2
283.15372	30.7
475.30988	4.1
489.28448	100.0
686.38281	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	685.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64562	3.8
53.03945	6.7
55.01868	5.2
55.05505	38.0
57.03428	20.7
57.07076	37.6
67.05499	38.8
69.03414	20.2
69.07050	14.2
69.35567	37.8
71.04981	7.1
71.08624	31.3
72.08125	4.3
79.05484	29.2
80.96059	3.6
81.03411	92.1
81.07052	41.3
83.04981	100.0
83.08614	26.0
85.02888	17.2
85.10184	13.5
85.83582	3.5
89.06030	5.2
91.05464	27.3
93.07048	21.7
95.04973	22.5
95.08605	37.9
97.02869	18.7
97.06540	5.4
97.10150	10.1
98.20750	7.8
105.07035	23.3
107.04962	8.1
107.08596	10.1
109.02872	17.2
109.10168	18.6
111.04433	34.6
111.08082	11.4
111.11700	4.0
119.08585	20.8
121.10108	14.7
123.08086	6.5
123.11702	6.6
127.03920	13.2
129.05484	47.3
129.06995	10.3
131.08559	11.1
133.10138	11.6
135.11655	9.3
137.09549	4.3
142.07826	3.8
145.10155	7.2
147.11703	13.2
149.09639	9.8
153.12749	4.5
157.10097	12.2
159.62029	4.0
163.11142	10.7
165.12709	7.9
175.11154	9.0
181.12358	6.6
191.10626	9.2
193.12228	38.1
211.13261	57.7
227.12749	20.0
229.14369	12.1
235.13222	4.7
239.23705	5.7
262.06778	3.7
267.15921	14.5
283.15509	7.9
285.16989	17.6
301.16635	3.8
313.27338	75.5
337.16422	4.6
355.17575	10.0
411.20279	7.2
429.21103	14.1
439.55875	3.8
505.38785	10.4
517.38904	5.8
523.39893	96.5
524.39709	5.5
539.39697	4.0
539.48315	4.2
547.40796	4.6
608.78571	4.5
635.24963	12.7
667.44324	23.0
685.41559	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	684.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14048	0.8
53.03939	3.0
55.05506	8.5
57.03434	2.1
59.04989	0.9
65.03950	1.6
65.95065	0.8
67.05499	25.5
69.07075	5.4
69.87547	4.2
69.87967	1.4
70.21642	0.8
70.71986	0.8
71.04998	1.1
73.06552	1.4
79.05487	35.1
81.03430	4.5
81.07055	22.2
83.04980	7.6
83.08614	3.4
85.06548	1.1
88.96538	0.8
91.04904	1.4
91.05475	31.6
93.07039	36.6
94.07346	0.9
95.04962	11.4
95.08603	11.7
95.33942	1.0
96.11469	0.8
97.06519	2.2
97.10194	1.7
105.04491	0.9
105.07022	20.5
105.07676	1.7
107.04971	3.5
107.08585	9.5
109.06525	3.3
109.10172	2.1
117.06996	5.7
119.08567	12.9
121.06464	0.9
121.10107	1.9
123.08078	3.4
128.06221	1.7
129.06989	10.0
133.10117	5.5
143.08517	5.6
145.10114	6.3
146.01909	0.8
147.07991	1.9
147.11667	22.5
161.09660	2.4
161.13245	7.3
163.11143	1.2
171.11713	17.4
171.13179	1.7
189.12738	7.3
207.13785	19.1
225.14984	2.2
263.16397	2.0
281.17453	49.6
282.17804	2.4
401.56754	0.9
469.29327	1.6
474.73740	0.8
487.30527	100.0
488.30661	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	683.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.3
55.01857	10.7
55.05508	38.2
57.03424	11.3
58.06598	28.4
65.03948	7.4
67.05501	81.7
68.05828	3.5
69.03427	22.6
69.07055	27.4
71.04976	7.8
75.22767	3.6
79.05486	100.0
81.03408	73.0
81.07048	81.2
82.07385	3.7
83.04962	14.5
83.08611	22.3
85.02885	11.4
85.06536	5.3
91.05474	92.4
93.07035	76.0
95.04968	40.9
95.08596	57.3
97.02859	8.9
97.06522	9.7
97.10178	7.8
101.02339	4.1
103.03909	3.7
105.07010	70.9
107.04934	21.7
107.08588	36.6
109.02854	9.8
109.06509	10.4
109.10159	17.1
111.04398	5.1
113.06026	4.5
115.05454	7.1
117.06992	33.7
119.08564	46.8
121.06504	12.4
121.10128	13.7
123.08044	7.6
125.09602	7.7
127.03907	7.4
128.06233	9.8
129.06982	38.2
131.08559	41.1
133.06479	8.1
133.10120	31.8
135.08025	6.2
135.11684	11.9
137.05983	4.0
141.06966	16.1
142.07730	8.4
143.08554	36.1
145.06459	10.7
145.10077	26.4
147.08023	8.0
147.11682	32.2
149.13248	4.6
151.07556	5.2
154.30353	3.1
155.08563	21.5
157.06479	6.6
157.10149	20.3
159.07976	7.4
159.11668	20.4
161.09587	7.7
161.13243	13.0
163.11159	4.0
165.07001	7.8
166.07701	3.6
167.08551	13.4
169.10104	22.7
171.08015	11.0
171.11688	26.8
173.04503	4.7
173.09628	5.4
173.13255	10.3
175.11209	5.3
179.08511	9.7
181.10068	19.8
183.08025	8.8
183.11620	18.9
185.09628	8.6
185.13278	11.0
187.11194	4.9
187.14803	5.6
189.12666	5.5
193.10136	9.3
193.12057	8.1
195.08104	6.2
195.11674	13.7
197.09561	3.6
197.13266	9.9
199.11215	3.1
201.12804	4.3
203.08530	4.3
205.10133	6.7
207.11719	11.3
207.13812	13.4
209.13272	9.2
211.11284	5.7
211.14922	7.3
213.12692	3.8
217.10170	4.7
219.11716	5.8
221.13281	5.3
223.11147	5.7
223.14793	7.3
231.11705	5.3
233.13266	7.5
233.15575	3.4
235.14853	5.5
237.12717	3.9
259.20483	6.7
271.20453	4.4
281.17352	17.9
287.16379	4.8
307.20599	6.0
311.19931	3.2
321.22150	5.2
325.21585	5.7
335.23492	4.4
339.23236	5.2
349.21509	11.9
367.22620	22.1
369.23959	4.3
385.23618	10.2
441.26428	7.1
459.27332	8.6
527.36682	8.3
528.37628	84.7
539.37750	4.3
555.34729	4.6
561.02197	4.6
563.36890	4.0
591.37268	6.3
593.37622	4.0
619.39825	9.3
629.38049	4.8
637.40674	6.0
647.38873	22.2
665.40729	29.6
683.41449	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.05516	0.8
57.03422	1.5
58.83312	0.4
61.02919	3.7
67.05501	4.1
69.03436	2.0
69.07053	1.1
71.01350	0.4
71.04986	0.9
71.41815	0.6
73.02918	2.3
79.05485	2.7
81.03407	2.5
81.07061	4.5
83.04974	0.8
83.08609	1.2
85.02908	4.2
85.06549	0.4
91.03970	1.9
91.05484	2.3
93.07036	3.7
95.04955	1.0
95.08567	1.6
97.02888	2.8
97.06548	0.5
99.04469	0.4
101.02379	1.4
105.07021	1.4
107.08585	1.7
109.02852	0.5
109.06506	0.4
111.08069	0.7
117.07027	0.6
119.08556	0.9
121.10130	1.2
123.07970	0.4
127.03907	1.1
129.07024	0.8
130.67354	0.3
131.08556	1.1
133.10152	0.9
135.08009	0.4
135.11655	0.5
145.04996	0.3
147.11673	0.8
149.13272	1.8
149.17630	0.4
157.10129	0.5
159.11700	0.7
175.11220	0.6
185.04172	0.4
193.12268	1.2
195.13779	0.4
235.13084	1.0
243.08437	1.3
251.12709	0.5
269.17584	0.8
273.40613	0.3
453.20850	8.0
469.20514	4.3
550.12769	0.4
681.34509	100.0
682.35156	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	681.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59087	0.6
55.05496	1.8
55.95873	0.5
56.30013	0.5
56.47317	0.6
56.96563	0.7
57.03429	2.0
61.02924	5.1
67.05508	5.3
68.47113	0.5
69.03433	2.7
69.07072	1.5
69.28638	7.0
70.06577	0.5
71.04997	0.7
72.08150	0.8
73.02909	2.1
77.11856	0.5
79.05484	4.1
81.03404	3.5
81.07049	6.8
83.04957	1.0
83.08631	1.8
85.02899	5.6
91.03953	2.1
91.05479	3.7
93.07057	4.5
95.04980	2.2
95.08621	2.0
97.02895	4.1
97.06535	1.2
98.21467	1.1
99.04440	0.8
101.02389	1.1
105.07059	2.4
107.08604	2.7
109.02871	1.0
109.10185	1.8
110.63753	0.6
111.04411	0.7
117.06982	1.2
119.08594	1.1
121.02802	0.6
121.10133	1.2
122.01537	0.6
122.25336	0.5
123.11700	0.6
125.09692	0.7
126.96035	0.6
127.03915	1.2
129.05621	0.6
129.06973	0.9
131.08583	1.1
131.47150	0.6
133.10167	2.0
144.87282	0.6
147.11655	0.9
148.37669	0.6
149.13239	1.4
157.10168	0.8
157.26698	0.6
159.11693	1.2
181.36192	0.6
193.12256	0.9
196.44395	0.6
229.14276	0.6
233.12653	0.6
235.13152	1.0
243.08528	2.2
251.12466	0.8
269.12558	1.2
329.56046	0.7
453.20944	6.3
469.20444	6.4
612.49493	0.7
681.34491	100.0
682.34961	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	681.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98293	0.7
53.03958	0.9
53.83716	0.8
55.05510	2.1
56.70057	0.7
56.96556	1.6
63.84634	0.6
67.05501	4.6
69.03428	1.1
69.07045	1.0
71.60426	0.8
79.05482	3.7
81.03421	2.1
81.07072	3.6
83.04979	1.1
83.08656	1.1
85.02907	1.3
86.78394	0.7
91.05486	3.2
93.07050	3.0
95.04972	2.4
95.08635	1.6
97.02857	1.0
97.06522	0.8
97.10159	0.7
98.97604	1.1
105.07030	2.3
107.08563	2.4
109.06536	0.9
109.10138	2.2
117.07008	1.2
119.08586	1.9
121.10129	0.8
121.54779	0.7
125.09606	0.9
129.07019	0.8
131.00177	2.0
131.08569	1.0
133.10126	1.0
135.08098	0.7
145.10146	1.1
149.01215	2.9
149.09589	1.1
177.00713	1.3
191.02200	1.2
212.75557	0.8
213.07976	0.8
231.08989	2.6
236.28358	0.8
269.10599	7.3
286.75903	0.8
287.11676	5.0
291.19537	0.9
291.32135	0.8
293.05411	1.7
301.18866	0.7
306.65778	0.7
311.11572	2.4
325.13165	1.0
469.17804	2.0
487.18430	9.4
501.31924	0.8
519.33295	0.9
560.81812	0.8
663.38135	1.1
681.32098	100.0
681.43622	41.0
682.32288	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16839	0.8
53.03941	3.1
55.01858	0.9
55.05301	0.8
55.05508	8.7
57.03437	6.4
60.38412	1.0
61.02911	2.4
65.03925	1.0
67.05501	48.1
69.03425	1.6
69.07064	7.6
69.54250	0.7
69.97830	0.8
71.01332	1.6
71.04988	13.2
71.60713	1.8
73.02899	1.6
76.27525	0.8
79.05058	1.3
79.05489	19.4
81.03407	3.5
81.07055	44.8
83.04977	5.4
83.08624	7.5
85.02874	2.5
85.06532	3.7
87.28812	0.8
91.03932	1.4
91.05479	17.1
93.06464	1.7
93.07041	27.9
93.74505	1.0
95.04966	2.8
95.08608	9.7
97.06516	6.7
97.10168	4.3
99.08081	2.3
105.07000	5.0
107.04941	1.5
107.08590	19.3
109.06478	1.2
109.09477	1.1
109.10158	18.5
111.08067	1.7
113.09685	1.0
117.07000	4.7
117.62145	1.0
119.08525	4.5
121.06472	1.8
121.10131	5.9
123.11684	5.7
127.03929	1.2
131.08562	4.0
133.10126	6.7
135.11687	16.6
137.09612	3.9
139.11153	1.0
145.10104	3.8
149.13278	8.8
151.11157	2.6
153.12631	1.3
153.80087	1.0
159.11670	4.1
163.11162	2.9
173.11700	2.2
174.21712	0.8
177.12738	1.8
181.12221	2.8
187.13361	1.3
195.13792	3.4
199.13316	1.0
211.13338	0.9
250.66927	0.9
255.15906	8.0
269.17435	11.8
287.18518	4.0
301.20163	2.2
423.27399	46.8
437.28888	8.6
449.28961	100.0
450.29117	2.2
463.30469	5.1
481.31558	35.1
482.31256	1.3
625.35864	1.8
678.35095	6.7
679.32629	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	678.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01865	1.8
55.05507	8.2
57.03225	0.9
57.03436	9.2
57.07060	1.9
59.05002	1.1
61.02914	2.5
63.42251	0.9
65.03923	1.6
66.34924	0.8
67.05502	46.8
69.03429	1.0
69.07064	10.9
71.04992	6.3
71.59238	1.6
73.02901	1.2
79.05051	1.5
79.05491	21.4
81.03414	3.1
81.07054	68.9
82.07385	1.2
83.05005	4.0
83.08611	9.6
85.02903	3.5
85.06538	7.4
91.03951	1.2
91.05471	14.4
91.06004	1.2
93.07037	35.1
95.04960	3.9
95.08604	13.9
95.41440	0.8
96.37084	0.8
97.02885	1.4
97.06529	8.5
97.10144	1.7
99.04461	1.1
99.08068	1.9
105.07035	5.4
105.07642	1.0
107.04976	1.0
107.08588	17.1
109.06542	1.6
109.10143	3.4
111.08070	5.5
113.05992	0.9
113.09621	0.9
117.07014	7.0
119.08588	1.6
121.06494	0.9
121.10147	11.1
123.11709	7.1
125.09640	1.0
131.08554	6.9
133.10136	9.0
135.08078	1.4
135.11693	7.2
147.11653	1.1
149.09624	0.9
149.13266	17.4
151.11177	3.4
159.11670	10.5
169.12268	0.8
177.12718	4.6
187.13277	4.1
195.13812	7.7
205.91901	0.9
213.14946	1.0
243.15967	8.4
269.17447	35.1
287.18497	8.2
357.15909	0.9
426.92181	0.9
435.31226	1.0
437.28973	100.0
438.29425	2.4
445.29379	2.3
449.28812	0.9
456.16730	1.1
463.30545	28.3
470.14911	1.2
471.14603	4.5
472.15302	5.5
473.16214	1.4
481.31561	27.9
482.32712	1.5
483.15991	1.2
484.15521	5.7
485.16095	8.4
486.17151	6.9
487.18170	1.8
498.17828	5.5
499.18024	12.4
500.18402	27.3
501.19070	3.7
501.26132	0.9
513.18866	2.0
514.20123	3.1
517.19519	1.4
518.20062	1.3
531.17145	2.1
539.19098	1.1
545.18109	1.5
558.19501	3.2
559.19983	2.8
560.20819	2.3
576.24176	1.2
600.10590	1.0
620.22839	1.0
646.24072	5.1
647.25354	6.3
660.25970	4.2
663.24603	1.4
678.26898	95.1
679.26831	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	677.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42001	0.5
53.03933	1.0
55.05500	5.9
57.03430	3.4
57.07063	1.1
61.02922	7.8
65.03944	1.1
67.05496	27.1
69.03421	3.0
69.07066	5.4
69.31741	6.4
71.04978	1.8
71.08601	0.6
73.02912	4.5
76.59519	0.5
79.05051	1.1
79.05486	16.1
81.03407	1.7
81.07048	32.2
83.04976	0.8
83.08596	3.6
85.02896	8.9
85.06520	1.3
86.39032	0.5
91.03957	7.6
91.05465	10.9
93.07030	19.4
95.04967	2.1
95.08594	20.7
97.02879	6.0
97.06512	1.0
97.10178	1.9
99.04465	1.7
99.08088	0.6
101.02387	1.8
105.07017	6.8
107.04912	0.8
107.08582	13.7
107.09289	0.9
109.02887	1.0
109.06489	1.1
109.10142	10.8
111.08089	1.8
113.09763	0.6
117.07021	3.0
119.08569	5.7
121.10130	10.9
123.08044	0.8
123.11706	5.5
127.03930	3.1
129.06970	0.8
131.08565	5.9
133.10120	5.7
135.11676	8.6
135.36049	0.6
137.13266	1.6
143.08563	1.4
145.04984	2.7
145.10107	4.6
147.11667	4.9
149.13246	8.5
151.14790	1.4
159.11685	4.9
161.13248	3.4
163.06007	3.0
163.11154	0.6
163.14806	4.0
171.11697	1.6
173.13263	4.9
177.12781	0.7
177.16411	1.7
177.63791	0.6
179.14375	0.7
187.14865	2.7
201.16324	0.9
215.17923	0.7
233.22716	1.1
235.12907	1.1
243.08424	2.2
243.21072	9.6
261.22125	26.7
267.81244	0.6
279.23276	1.5
283.13983	1.1
335.25708	8.9
335.29309	0.9
353.26782	8.9
453.20908	7.6
465.20926	6.8
497.31223	1.4
567.73297	0.7
677.34973	100.0
678.35083	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
56.96563	0.8
57.07058	0.9
67.05493	1.9
69.07053	1.2
70.06578	0.5
71.08636	0.6
73.02918	0.6
79.05478	2.4
81.03401	1.3
81.07053	2.2
83.04954	0.6
83.08604	0.6
85.02907	0.6
88.07620	1.3
90.46505	0.4
91.05492	1.3
93.07045	2.1
95.04944	0.6
95.08604	1.5
97.06516	0.5
102.09168	0.7
105.07063	1.3
107.08598	1.1
109.10153	0.8
113.95364	0.5
117.07040	0.5
119.08522	0.8
121.10114	0.8
131.08568	0.8
133.10124	0.6
145.10155	0.8
147.11696	0.8
149.02338	1.5
149.13235	0.8
163.11215	0.6
166.25055	0.5
173.02971	0.6
185.04323	0.6
193.04938	2.4
200.61586	0.5
203.05281	1.8
213.97375	0.5
235.09560	0.5
256.26355	4.0
257.18790	0.6
259.07925	1.0
259.20804	0.6
329.45755	0.5
333.24918	0.8
347.09320	1.0
347.15372	0.7
349.17386	0.6
365.10529	3.5
380.70099	0.5
389.19125	1.0
402.15439	0.9
421.12912	0.7
430.18771	0.8
431.19629	0.9
515.31812	20.2
546.23627	0.7
573.22607	0.9
590.22137	1.7
677.37097	100.0
677.53369	4.1
678.38043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89844	0.3
53.03940	0.9
54.33979	0.3
55.01868	0.9
55.05510	1.8
57.03443	1.7
58.13213	0.3
61.02925	3.9
67.05508	5.3
69.03433	2.5
69.07057	1.7
70.04353	0.7
70.04762	1.2
71.01328	0.5
71.04976	0.6
73.02927	2.8
77.97775	0.3
79.05494	5.1
81.03422	2.3
81.07061	6.2
83.04988	0.9
83.08620	1.1
83.52097	0.3
85.02904	4.3
85.06551	0.4
91.03959	2.8
91.05473	4.7
92.15062	0.3
93.07041	5.9
95.04983	1.9
95.08609	2.7
97.02898	3.6
97.06545	1.2
97.10146	0.4
98.20812	0.5
99.04463	0.9
101.02386	1.4
105.07034	2.4
107.08595	2.9
109.02901	0.9
109.06495	0.8
109.10106	0.7
111.08073	0.4
117.07015	1.0
119.08599	1.9
121.06498	0.4
121.10128	1.8
121.72970	0.3
123.08100	0.3
127.03933	0.9
128.31471	0.3
129.07027	1.1
131.08578	0.9
133.10132	1.5
135.11687	0.8
145.10179	0.6
147.11681	1.9
149.13303	1.1
159.11691	0.8
161.09668	0.4
171.11749	1.2
182.12520	0.4
189.12790	0.5
195.13869	0.7
207.13895	0.8
235.13034	0.9
243.08527	2.4
247.13057	0.8
269.17578	0.4
281.17526	0.7
291.15631	0.4
293.84369	0.3
303.15698	0.5
342.12115	0.4
403.53824	0.3
453.20956	7.7
465.20959	7.1
478.85657	0.4
566.26886	0.4
635.69617	0.3
677.35040	100.0
678.35217	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	676.4539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05503	7.1
56.05038	0.7
57.03425	1.6
57.05807	1.1
57.06780	1.0
57.07069	19.9
57.42206	0.5
65.03924	1.2
67.05498	24.6
69.07062	10.3
70.06581	3.1
71.04976	1.6
71.08624	14.0
71.10094	0.5
72.08147	100.0
73.08463	0.7
75.37123	0.5
79.05482	11.6
81.03397	0.7
81.07048	29.9
83.04954	1.7
83.08608	7.9
85.06541	0.7
85.10179	7.8
91.05460	5.4
93.07034	16.7
95.04951	1.8
95.08593	16.4
97.06509	2.8
97.10152	3.2
99.08076	1.1
99.11693	0.6
105.07016	2.1
107.08580	8.2
109.06533	0.7
109.10135	5.6
111.08066	1.8
111.11704	1.2
112.95654	0.5
117.07013	1.9
121.06545	0.5
121.10119	5.3
123.11693	2.2
131.08543	2.4
133.10130	1.9
135.11673	2.0
139.11241	0.6
144.44376	0.5
149.13248	6.5
151.46605	0.5
159.11630	3.6
170.05759	27.4
177.12772	1.6
195.13806	2.5
213.14804	0.5
239.23735	2.0
287.46457	0.5
315.60168	0.6
507.40402	80.5
508.40396	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96320	0.5
53.03927	0.7
53.24743	0.4
55.01866	0.5
55.05495	1.2
57.03429	1.2
61.02924	3.9
65.23222	0.4
65.42252	0.4
67.05216	0.5
67.05505	5.2
68.13658	0.4
69.03425	2.4
69.07054	1.6
69.38777	0.4
71.04976	0.8
71.40942	0.4
73.02895	2.0
79.05499	5.1
81.03403	1.5
81.07062	5.5
83.04971	1.0
83.08614	1.4
85.02904	3.6
91.03951	2.6
91.05477	2.7
93.07047	5.1
95.04967	1.5
95.08612	2.0
97.02888	3.1
97.06531	0.9
99.04454	0.8
101.02376	1.3
105.07027	1.7
107.08586	1.8
107.68292	0.4
108.14454	0.5
109.02888	1.2
109.06500	0.4
114.87836	0.4
117.06987	0.8
119.08578	1.6
121.10123	1.3
123.11761	0.5
127.03928	0.9
131.08511	0.6
133.10190	0.8
135.11700	0.7
147.11687	1.4
149.13231	2.0
159.11681	1.1
171.11803	0.6
189.12733	0.4
190.06351	0.4
195.13884	0.6
235.13087	0.8
243.08505	2.1
247.13075	1.5
269.17773	0.6
297.96860	0.5
453.20984	8.1
465.20935	7.1
466.65320	0.5
540.13782	0.5
551.66858	0.5
590.28461	0.5
677.35016	100.0
678.35590	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	676.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60549	0.6
53.03937	2.1
55.01865	2.6
55.05299	0.8
55.05510	8.3
57.03435	9.0
57.07075	1.3
61.02911	2.1
65.03934	1.1
67.05502	33.3
68.05814	0.7
69.03413	3.0
69.07063	11.4
70.85489	1.7
71.04994	5.2
73.02910	1.9
79.05056	1.3
79.05492	22.3
81.03416	35.9
81.07053	43.0
83.04982	10.2
83.08133	1.1
83.08621	17.2
85.02905	13.2
85.06548	2.4
91.03935	2.0
91.05479	19.3
93.07039	29.6
95.04967	15.1
95.08610	12.3
97.02891	3.0
97.06514	6.0
97.10169	2.8
99.08073	2.5
101.06014	0.7
105.07027	12.5
107.04974	3.4
107.08595	17.1
109.06517	3.5
109.10151	3.3
111.04442	1.3
111.08087	7.7
113.06019	2.0
113.09679	0.8
115.05448	0.7
115.97062	0.6
117.07007	4.1
117.07726	0.6
119.08590	9.2
121.06488	1.5
121.10143	12.5
123.08093	1.7
123.11654	1.9
125.09614	0.9
127.03945	0.8
129.07007	5.7
131.08577	9.6
133.06421	1.4
133.10123	9.5
135.08035	1.0
135.11684	5.0
137.09613	1.0
139.11195	1.0
142.07758	1.5
145.10091	1.4
147.08121	0.7
147.11694	8.2
149.09618	3.8
149.13263	15.3
151.11145	1.4
157.10136	7.8
159.11681	5.6
165.12796	0.9
175.11194	9.5
177.12767	2.8
193.12236	23.9
195.13792	8.3
211.13283	37.2
213.14877	0.7
252.95856	0.7
256.29779	0.8
267.15912	21.7
268.16257	0.7
269.17465	67.0
270.17819	2.1
285.16940	27.3
435.27570	1.1
461.28979	45.1
462.29242	2.1
479.30035	100.0
480.30624	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	676.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
54.34576	1.0
55.01867	3.0
55.05504	13.3
57.03439	13.9
57.07064	1.4
61.02914	5.4
65.03941	1.3
67.05501	35.3
69.03416	4.4
69.07063	11.5
70.00365	6.4
70.80908	0.9
71.04983	4.4
71.79686	1.3
73.02890	1.8
79.05488	29.3
81.03411	38.6
81.07053	48.2
83.04975	10.5
83.08617	20.7
85.02898	20.5
85.06538	3.4
91.03926	1.3
91.04892	1.5
91.05474	31.0
93.07036	33.3
95.04962	17.8
95.08595	15.4
97.02882	5.5
97.06516	4.6
97.10173	2.8
98.21403	1.3
105.07017	20.2
107.04937	3.3
107.08587	17.0
109.06506	3.7
109.10155	4.3
111.04460	1.6
111.08076	7.1
113.06023	1.3
115.05381	1.2
117.06998	5.4
117.64790	1.0
119.08575	14.4
121.06500	2.4
121.10142	10.4
123.08050	1.8
123.11682	4.2
125.09624	1.5
129.06972	5.1
131.08563	10.2
133.06465	2.9
133.10123	15.0
135.11699	5.2
145.10118	2.0
147.08051	2.2
147.11667	9.0
149.09621	3.4
149.13228	8.4
157.10135	11.5
159.11668	3.6
165.12810	2.2
175.11172	9.6
176.11586	1.1
177.12766	2.4
193.12219	21.8
195.13780	6.9
211.13284	36.6
213.14890	2.0
239.17590	1.3
251.11467	1.2
267.09039	1.6
267.15887	13.8
269.12320	4.3
269.17468	40.3
281.17361	1.2
285.10107	4.6
285.16949	38.1
315.93909	1.1
355.15836	3.5
413.48645	1.1
443.27884	1.7
461.28952	21.2
462.28818	1.2
479.30008	100.0
480.30273	3.7
486.18472	1.3
496.16931	2.5
497.17395	1.4
498.18234	1.5
556.18842	2.1
574.23877	1.2
676.26715	18.5
677.26813	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	675.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	0.3
67.89525	0.4
69.46012	3.0
74.49213	0.4
84.02679	0.5
98.20792	1.0
220.50613	0.5
331.73575	0.4
356.87494	0.4
425.16019	0.4
439.13779	0.6
453.15701	0.6
454.16333	0.8
464.83981	0.4
467.17804	0.9
468.13586	2.0
469.14728	7.8
470.15503	2.0
471.16650	1.3
479.17145	0.6
480.14536	0.7
481.14368	2.2
482.15808	10.7
483.16559	9.8
484.17523	2.4
485.18256	1.3
487.15915	0.9
495.16632	2.6
496.17551	6.1
497.18216	40.2
498.18677	4.7
499.19830	0.5
500.16736	0.7
509.14529	0.5
510.19174	2.8
511.19891	5.3
512.20660	1.4
515.19452	2.8
523.17084	0.7
528.16443	1.8
529.18323	0.4
538.20728	0.7
541.16779	0.8
542.17548	2.5
555.18719	3.2
556.10864	0.7
556.19012	2.7
557.20514	3.1
569.20441	0.8
571.21381	0.6
573.23163	0.9
583.21863	0.6
616.21906	1.2
617.22620	0.7
629.22101	0.8
643.24048	5.9
644.24530	6.6
645.24329	1.3
657.25531	6.2
660.24036	0.9
675.26575	100.0
676.26709	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	676.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01875	1.6
55.05507	10.9
57.03438	8.2
57.07065	1.3
61.02917	3.3
61.03394	0.6
65.03915	1.5
67.05501	42.2
69.03408	2.0
69.07063	16.8
70.06596	1.1
71.04988	9.3
72.08153	26.3
73.02904	0.8
79.05487	27.1
81.03407	4.9
81.07052	77.6
82.07381	1.3
83.04978	6.3
83.08608	11.4
85.02900	3.2
85.06526	5.0
91.03956	0.8
91.05476	24.0
93.07037	37.2
94.07340	0.8
95.04959	7.0
95.08597	20.2
97.02885	1.7
97.06514	10.2
97.10179	1.1
99.04463	0.7
99.08092	2.6
105.07024	25.7
106.07357	0.7
107.04942	0.8
107.08585	21.3
109.06520	4.9
109.10136	3.2
111.08080	3.6
113.06006	0.8
117.07008	5.2
119.08573	16.6
121.10139	19.1
123.08069	2.8
123.11695	15.0
125.09594	1.5
127.07512	1.6
129.06972	2.1
131.08568	5.9
133.10144	8.2
135.08011	0.8
135.11697	5.3
139.11159	1.0
142.07826	0.8
143.08492	0.8
145.10115	1.5
147.11678	34.5
149.02332	1.3
149.09615	1.1
149.13248	16.6
151.11150	1.1
157.10155	1.9
159.11644	8.0
161.13264	1.0
165.12744	12.3
166.85309	0.7
170.05792	7.1
171.11731	2.2
175.11211	1.4
177.12752	4.1
183.13768	2.4
189.12679	1.2
193.04807	0.8
193.12210	1.2
195.13766	8.7
207.13853	1.4
211.13364	0.9
213.14809	1.5
229.14333	2.4
267.15903	39.4
268.16153	0.8
269.17459	60.3
270.17944	1.2
282.64935	0.7
285.16953	24.8
403.28333	0.7
461.28815	1.3
463.30515	5.3
475.30481	2.2
479.29996	100.0
480.30417	4.2
497.17792	1.1
498.18362	1.7
507.33176	18.0
508.33426	1.0
595.42468	0.9
676.26074	5.8
676.35895	2.5
677.25598	1.0
677.36096	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.3
55.01863	1.1
55.05507	7.6
56.05024	0.7
56.05846	0.6
57.03421	2.0
57.05818	0.5
57.07076	15.7
58.06596	5.4
59.01856	0.4
65.03935	1.0
67.05164	0.9
67.05502	13.8
68.05849	0.7
69.03422	1.6
69.07066	7.3
69.79482	3.3
70.06586	1.9
70.07394	0.9
71.04974	0.8
71.08628	10.6
72.08152	59.7
74.22028	0.5
74.55442	0.4
79.05489	9.7
80.05843	0.5
81.03416	32.6
81.07053	15.7
83.04971	2.1
83.08617	12.6
85.06549	0.8
85.09698	0.8
85.10175	5.6
91.05482	9.2
92.05790	0.6
92.91897	0.4
93.07039	7.5
94.07373	0.7
94.88779	0.5
95.04965	10.2
95.08605	12.3
97.02887	1.4
97.06520	1.8
97.10151	4.3
98.21475	0.7
103.05476	0.7
105.07017	6.2
107.04939	2.5
107.08607	3.4
109.06507	1.6
109.10155	6.7
111.04427	0.6
111.08090	1.8
115.05456	0.6
117.07017	1.6
119.04956	0.9
119.08575	5.6
121.06487	1.0
121.10134	3.5
123.08037	1.7
123.11713	2.1
125.09641	1.6
126.09946	0.6
128.06273	0.6
129.07002	4.3
131.08556	4.2
133.06493	1.7
133.10100	2.6
135.08049	0.6
135.11713	1.1
137.09573	0.9
142.07791	0.9
145.10138	1.8
147.08052	2.1
147.11682	4.1
149.09647	2.1
149.13257	1.7
151.11145	0.5
157.10107	4.1
161.09703	0.6
165.12772	0.9
167.14233	1.0
170.05768	29.1
175.11206	2.6
193.12228	8.4
221.90224	0.5
223.13208	1.1
227.12680	0.7
239.23749	1.8
241.18063	2.0
249.14778	3.4
267.16074	0.5
273.18582	1.4
274.18912	1.0
290.11108	0.4
291.19553	6.0
292.19916	4.8
292.22879	0.8
313.27237	0.5
348.22498	0.6
365.23251	1.2
366.23593	1.9
505.38870	100.0
506.39304	3.1
519.40479	11.0
525.02924	0.5
540.79474	0.6
656.42432	4.6
674.42773	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	674.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.2
53.03946	1.4
55.01862	0.5
55.05505	3.2
56.05032	0.5
57.03437	0.7
57.05815	0.6
57.07074	15.9
57.93985	0.3
67.05500	8.9
69.03435	0.7
69.07069	3.4
70.06591	1.6
71.04994	0.6
71.08628	12.1
71.51390	0.5
72.08150	60.3
73.08488	0.4
79.05492	4.9
81.03413	32.5
81.07053	10.0
83.04980	0.8
83.08614	9.4
85.06533	0.4
85.09726	0.2
85.10178	6.0
90.09180	0.5
91.05475	6.0
93.07035	2.9
93.71259	0.3
95.04351	0.6
95.04962	9.9
95.08601	9.8
97.02886	1.2
97.10152	2.4
103.54948	0.3
105.07021	5.1
107.04945	2.2
107.08607	1.3
109.06536	0.6
109.10148	3.4
111.04474	0.4
111.08061	1.9
111.11708	0.5
115.05425	0.3
117.06998	0.5
119.04985	0.4
119.08570	4.6
120.16096	0.3
121.06542	0.5
121.10146	1.9
123.08090	0.3
123.11707	1.6
129.06992	3.6
131.08574	3.2
133.06482	1.1
133.10144	1.3
137.09633	0.7
137.13271	0.4
141.06987	0.3
142.07785	1.2
145.10194	0.3
147.08049	1.1
147.11662	2.6
147.35007	0.4
149.09613	1.6
157.10109	3.3
165.12723	0.4
170.05763	31.9
175.11182	3.1
186.11023	0.3
193.12230	8.0
210.55431	0.3
239.23676	2.5
241.35938	0.3
249.14853	2.8
267.15866	0.4
313.27444	0.4
344.00961	0.3
505.38849	100.0
506.39285	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	674.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.4
55.05505	10.2
57.03427	4.7
59.05009	1.0
59.06640	0.8
60.13297	0.8
61.02909	4.0
67.05499	21.1
68.44171	0.9
69.03412	2.6
69.07066	7.0
71.04977	3.0
73.02950	1.0
77.03936	0.9
79.05051	1.5
79.05487	19.7
81.03414	9.8
81.06567	1.6
81.07050	24.1
83.04984	6.8
83.08612	7.9
85.02897	5.4
85.06540	2.1
91.05476	17.6
91.06049	0.8
93.07030	19.2
95.04971	11.6
95.08610	8.9
97.02877	3.0
97.06521	3.9
97.10162	9.2
98.20789	2.8
99.04433	1.2
103.98431	1.0
105.04499	1.1
105.07028	13.0
107.04946	8.2
107.08594	16.6
109.02927	1.0
109.06494	3.6
109.10139	10.3
111.04433	4.1
111.08075	2.6
117.07008	7.9
119.04929	1.2
119.08567	6.9
121.06539	4.3
121.10152	5.7
123.04410	1.2
123.08054	2.2
123.11687	2.2
125.09591	5.9
127.03909	1.8
128.06281	1.0
129.06998	4.0
131.04883	1.0
131.08559	8.1
133.06488	3.2
133.10141	10.0
135.08058	4.3
135.11685	6.0
136.33856	1.0
137.09659	1.0
141.06996	1.9
143.08557	3.7
145.06499	2.7
145.10080	8.2
147.08009	4.0
147.11681	4.4
149.09596	2.7
149.13257	3.3
151.11165	4.4
153.09152	2.4
153.12738	3.6
155.08530	2.4
157.10091	2.9
159.08037	2.3
159.11674	3.3
161.05992	1.3
161.09612	1.8
163.11229	8.0
169.10114	1.6
171.07967	1.1
171.11661	2.6
173.09602	2.4
175.11153	1.6
177.12880	1.2
181.08655	1.0
181.10135	1.5
181.12178	2.7
183.11636	1.0
185.09555	1.8
187.11203	1.0
187.14827	1.3
189.11230	4.0
191.10638	1.8
193.12215	3.3
195.13704	0.9
197.13298	1.6
205.15840	1.3
207.13937	1.1
209.11641	1.7
213.12872	1.2
215.14325	2.4
227.12784	3.3
233.15355	3.2
267.15839	2.1
269.17517	5.6
273.14893	1.0
283.15399	6.9
339.23340	2.0
349.21466	1.7
357.24310	2.6
367.22562	10.2
375.24863	1.3
385.23709	25.2
386.24152	1.2
403.24844	6.5
431.27994	1.7
441.26532	1.6
459.27380	100.0
460.27438	2.2
471.05124	0.9
477.28452	85.7
495.29312	5.8
674.34186	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	674.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
53.08393	1.3
55.01867	4.9
55.05511	16.8
57.03444	12.5
57.07084	1.3
60.16041	1.0
61.02925	6.5
65.03934	2.2
67.05167	2.2
67.05502	33.9
68.05818	1.6
69.03423	5.2
69.07065	10.6
69.31111	5.5
69.31543	7.2
71.04993	4.0
73.02925	2.3
79.05495	28.7
81.03416	53.6
81.07053	39.4
82.07373	1.2
83.01340	3.0
83.04974	16.1
83.08610	16.8
85.02898	15.9
85.06541	3.6
91.03965	2.5
91.05477	26.5
92.05803	1.2
92.18449	1.4
93.07042	28.3
95.04961	23.0
95.08601	14.0
95.93647	1.4
97.02881	10.1
97.06530	8.7
97.10165	6.5
98.21497	2.8
99.04458	2.7
99.08130	1.7
101.45746	1.1
105.07026	18.8
107.04955	7.8
107.08589	19.1
108.08914	1.3
109.02873	1.6
109.06532	6.9
109.10147	6.5
111.04449	6.2
111.08078	9.0
113.05988	1.5
115.05423	2.3
117.06999	8.8
119.08577	14.5
121.06497	6.7
121.10136	13.0
123.08080	4.6
123.11737	2.1
125.09621	5.9
127.03940	2.4
129.07001	8.4
131.05016	1.9
131.08553	13.7
133.06494	3.5
133.10130	11.7
135.08049	4.1
135.11696	7.9
137.06003	1.4
137.09604	2.7
142.07739	2.5
143.08554	2.5
145.06490	4.0
145.10144	10.5
147.04425	1.7
147.08041	4.2
147.11642	8.1
149.09630	5.4
149.13284	5.1
151.11192	1.8
153.09134	1.7
153.12732	4.2
155.08560	2.7
157.10112	7.6
159.11720	3.4
161.09592	1.3
163.11186	9.8
173.09651	2.2
175.11203	5.7
177.12726	2.6
181.12244	3.4
189.11188	2.8
191.10664	3.1
193.12219	16.4
195.11919	1.3
195.13808	4.4
209.11633	1.9
211.13316	12.5
213.14833	1.5
215.14366	1.7
227.12785	5.7
249.15024	1.5
255.13857	1.4
260.08688	1.2
267.09006	2.8
267.15909	48.1
269.17529	13.2
273.14822	1.6
275.20016	2.6
283.15393	18.8
285.10086	9.7
285.16989	12.1
348.15128	2.5
349.21964	2.3
350.24124	2.5
364.16443	2.7
367.22565	7.6
373.17023	1.9
378.93253	1.4
385.23856	9.7
403.24814	4.7
433.25848	4.1
441.26486	2.1
459.27402	37.7
477.28473	100.0
478.28650	3.8
495.29559	14.1
501.28458	1.7
674.34680	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	673.43
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04104	0.7
50.57295	0.8
51.02382	0.9
53.03929	3.4
55.01866	8.8
55.05260	1.1
55.05510	19.6
57.03432	14.1
57.07075	1.6
58.38640	0.9
59.53397	0.8
65.03924	2.7
67.05500	45.9
68.05836	1.3
69.03423	6.4
69.06714	1.3
69.07065	21.0
71.04977	3.6
71.30012	1.3
71.30338	1.7
79.05487	29.0
81.03416	7.5
81.06570	1.8
81.07053	36.9
83.04983	5.0
83.08615	8.0
85.02876	1.8
85.06535	8.3
86.21918	0.8
91.05477	31.4
93.07036	26.7
93.87501	0.8
95.04963	35.2
95.08593	16.7
97.02875	4.8
97.06512	5.8
97.10162	7.2
103.05471	1.6
105.07026	24.3
107.04954	12.9
107.08588	21.1
108.05712	1.1
109.06511	33.8
109.10157	9.0
111.04403	1.4
111.08086	2.7
113.06000	18.4
115.05443	2.4
117.07006	14.4
119.04922	1.3
119.08559	14.5
120.08965	0.8
121.06482	5.0
121.10133	7.4
122.07320	1.5
123.04437	1.3
123.08046	4.2
125.09617	6.2
127.03846	1.2
128.06158	2.1
129.06981	7.5
131.04898	1.2
131.08560	15.2
132.09018	0.8
133.06487	5.0
133.10129	11.1
135.08041	28.7
135.11658	6.7
137.05936	1.0
137.09575	2.4
141.06966	2.2
142.07733	2.1
143.08537	7.0
145.06490	2.6
145.10114	11.8
147.08040	7.4
147.11679	6.4
149.09586	6.8
149.13260	3.0
153.09117	1.1
155.08568	2.6
157.10104	6.4
159.08067	3.6
159.11661	6.1
161.09612	8.4
161.13220	1.5
163.11168	4.2
165.08971	1.9
165.12715	1.0
169.10085	1.8
171.10446	0.9
171.11617	4.6
173.09692	2.0
173.11781	0.9
173.13242	2.6
175.11154	3.5
177.12723	2.9
181.10135	1.1
183.11681	2.5
185.09529	1.0
185.13228	2.8
187.11192	1.4
187.14804	1.5
189.11165	3.3
189.12698	1.9
190.13051	0.9
192.46173	0.9
193.12271	1.1
195.11459	1.0
195.13733	2.4
197.13173	1.6
199.11255	1.0
199.14772	1.9
201.12744	2.0
203.14185	1.5
205.12254	2.1
213.12695	1.6
217.15852	7.0
217.40833	0.9
223.13258	7.1
227.12775	2.6
227.17958	1.1
233.15350	2.2
241.47781	1.1
245.18953	2.1
249.14925	1.6
257.19009	1.4
273.18478	26.2
274.18979	1.2
275.19983	7.5
289.18002	1.2
291.19525	100.0
292.19772	3.3
293.21091	1.1
295.39404	0.8
307.18921	0.9
347.22165	6.1
349.23718	1.7
365.18954	1.6
365.23227	21.6
367.24643	1.2
543.94000	1.1
627.38812	1.4
637.40607	5.4
655.41974	25.6
656.42480	2.2
660.56750	1.1
673.41656	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	673.4305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01871	8.3
55.05261	1.4
55.05509	23.4
57.03443	4.6
57.07064	2.5
65.03921	1.7
67.05501	30.7
69.03429	7.9
69.07066	25.8
71.04980	2.5
71.08631	1.7
72.08153	7.6
77.03948	0.8
79.05491	26.8
81.03413	11.7
81.07056	32.6
83.04990	5.9
83.08617	13.1
83.74139	0.7
85.02902	1.3
85.06553	1.9
85.10134	0.8
91.05476	21.3
92.14709	0.8
93.06459	1.6
93.07040	23.5
95.01338	1.2
95.04967	15.4
95.08605	15.3
96.08878	0.7
97.02908	4.5
97.03445	0.7
97.06539	4.9
97.10168	14.8
103.05509	1.1
105.06374	1.5
105.07023	17.7
107.04958	8.7
107.08591	16.9
109.02868	1.3
109.06532	4.8
109.10146	9.5
111.04449	2.1
111.08077	3.5
113.05956	1.1
115.05449	1.0
117.07014	8.7
119.04937	2.4
119.08575	14.7
121.06493	5.2
121.10124	7.9
123.04459	0.9
123.08076	8.5
123.11703	2.3
125.09629	13.0
128.06223	1.8
129.06984	4.2
131.08556	9.5
133.06467	4.7
133.10124	7.5
134.07280	1.7
135.08058	5.4
135.11690	3.9
137.09583	4.2
141.06960	1.1
142.07802	1.1
143.08530	4.6
145.06465	2.9
145.10109	7.4
147.08037	7.8
147.11644	4.0
149.09598	3.1
149.13263	1.6
151.11121	1.0
153.07022	1.0
153.09096	1.2
155.08578	1.4
157.10138	3.5
159.08093	1.7
159.11671	3.8
161.09633	4.2
161.13260	0.8
162.10382	1.6
163.11198	2.8
165.09055	4.5
169.10034	1.4
169.12173	1.1
170.05771	4.0
171.11691	2.7
173.09624	1.8
173.13342	0.9
175.11153	5.5
177.12752	2.3
181.12257	1.2
185.13287	1.9
187.11174	1.3
187.14758	0.8
189.11221	7.4
189.12727	1.3
193.12187	2.2
195.11621	1.0
199.14793	0.9
205.12253	1.8
207.13734	0.7
209.86786	0.9
215.74532	0.7
223.13263	10.8
227.12732	9.0
227.17766	1.3
229.89261	0.9
231.13808	1.1
245.18988	2.8
249.14835	5.2
253.14365	1.1
255.17415	2.6
262.15701	0.9
263.20068	1.9
267.15912	1.6
269.17453	0.8
273.18481	21.6
275.20139	1.9
291.19531	100.0
292.19907	2.4
329.20764	0.8
331.15466	0.9
347.22083	4.8
365.23212	30.7
395.74573	0.9
411.28827	1.0
433.25787	1.0
474.28537	0.8
502.31851	0.9
504.37433	1.4
505.38956	7.8
516.29047	0.8
535.32532	1.4
543.33008	1.1
557.34662	2.1
637.41144	3.9
655.41998	47.7
656.42419	1.6
673.42938	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	673.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.9
53.60539	1.7
55.01865	9.7
55.05513	35.1
57.03444	10.4
57.07071	4.4
65.03940	4.6
67.05504	70.9
69.03423	22.1
69.06710	3.1
69.07063	34.4
71.04988	8.6
71.08617	2.4
71.59911	2.4
73.02905	1.8
77.03931	2.7
79.05490	58.0
79.05960	3.0
81.03405	18.2
81.07053	80.2
83.01359	2.1
83.04987	11.5
83.08622	16.2
85.02910	4.8
85.06526	4.6
91.05482	51.5
93.07038	62.8
95.04961	21.1
95.08598	36.8
97.02901	9.2
97.06506	10.7
97.10146	9.9
99.04452	3.0
103.05475	2.9
105.07023	44.0
107.04945	10.4
107.08588	38.9
109.02876	3.2
109.06511	11.5
109.10147	26.9
109.82915	2.0
111.04445	5.7
111.08072	3.4
115.05483	3.5
116.06249	2.5
117.07008	15.7
119.04932	4.2
119.08576	31.6
121.06509	9.6
121.10146	18.0
123.04418	4.3
123.08047	9.3
123.11686	5.8
125.09632	9.1
127.03899	2.9
128.06209	2.5
129.07022	11.2
131.08565	25.2
133.06549	6.8
133.10120	27.5
135.08118	10.8
135.11674	14.0
137.09604	5.4
139.07637	2.2
141.06996	3.6
142.07831	2.5
143.08585	10.5
145.06476	3.2
145.10144	15.7
147.08087	6.7
147.11699	12.0
149.09616	5.6
149.13246	6.4
151.07541	2.4
151.11194	7.1
153.09067	2.5
155.08580	4.5
157.10129	10.0
159.08136	2.8
159.11691	12.6
161.09657	7.4
161.13272	5.3
163.11174	5.8
165.09178	3.5
165.12723	2.8
169.10172	5.7
171.08012	3.5
171.11749	8.5
173.09583	2.1
173.13260	5.7
175.11240	7.7
177.09148	2.0
177.12762	5.4
179.10693	2.6
181.10095	2.2
183.11713	5.0
185.13274	3.1
187.14908	3.0
189.11215	4.9
189.12712	4.3
195.13832	2.4
199.11256	3.1
205.12164	2.4
207.11913	2.3
207.13792	2.3
213.16379	2.2
223.13237	11.1
227.12743	6.4
229.14288	2.2
237.16350	1.9
245.19049	7.4
249.14841	4.6
253.14223	11.6
255.17375	3.3
263.20157	5.7
267.15881	5.2
269.17416	6.4
273.18533	33.9
275.20132	3.6
291.19531	100.0
292.19891	2.4
309.20486	4.2
347.22168	6.7
365.23239	35.0
369.24231	3.3
383.24283	2.0
387.25290	2.9
461.28928	2.3
467.37192	3.3
561.34839	2.4
575.35779	4.2
585.00543	1.9
637.40790	9.2
655.41980	42.1
673.43121	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
54.61793	0.5
55.01869	1.3
55.05506	5.8
56.72699	0.5
57.03431	3.7
57.07071	33.0
61.02922	11.2
65.03940	0.5
67.05167	0.9
67.05501	12.5
68.05833	0.8
69.03416	2.3
69.07060	7.7
70.84846	1.3
71.04995	1.1
71.08627	26.4
72.08202	0.6
73.02913	3.4
75.04469	1.9
79.05482	4.7
81.03419	2.2
81.07051	15.5
82.07366	0.6
83.04993	1.2
83.08617	8.3
85.02902	13.0
85.06544	0.9
85.10175	14.9
89.06053	1.4
89.26357	0.5
91.03950	10.0
91.05475	4.0
93.07029	3.4
95.04961	2.8
95.08597	19.8
97.02886	6.2
97.06560	1.2
97.10162	6.0
99.04424	1.0
99.11705	1.0
103.03937	0.6
105.07021	2.6
107.04968	1.7
107.08585	2.0
109.02818	0.6
109.06560	0.8
109.10150	9.6
111.11713	1.2
117.07024	1.1
119.08581	1.6
121.06538	0.7
121.10107	1.6
123.11698	4.4
125.09576	0.9
125.13270	0.8
127.03910	4.8
129.06940	0.7
131.08549	0.9
133.06491	0.6
133.10106	1.4
134.99602	0.5
137.13290	1.0
139.55902	0.6
143.08490	0.9
145.04955	6.6
145.10127	0.9
147.11732	0.8
148.46779	0.6
149.09581	0.7
157.10156	0.7
163.06007	9.1
169.10194	0.6
221.22537	0.8
239.23666	24.8
257.24677	4.0
275.20132	0.6
298.27313	0.6
313.27350	100.0
314.27716	2.0
331.28409	28.1
332.28589	0.6
401.28647	0.6
475.32184	2.6
479.19223	0.6
560.31720	0.8
672.40753	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.0
55.01862	2.2
55.05508	15.8
56.05836	1.7
57.03431	7.2
57.07072	38.9
60.87426	1.0
61.02920	15.3
65.03949	1.7
67.05500	30.1
68.05841	2.9
69.03428	5.4
69.07063	14.8
70.27291	2.4
70.27686	2.2
71.01334	1.0
71.04993	2.0
71.08625	30.2
73.02910	6.4
75.04494	2.7
79.05489	20.0
80.05807	3.6
81.03407	14.6
81.07049	36.7
82.07379	3.9
83.04979	3.0
83.08611	18.4
85.02898	20.0
85.06535	2.7
85.10179	17.7
91.03951	13.9
91.05472	16.6
92.05819	2.6
93.07034	16.8
94.07350	2.4
95.04971	13.0
95.08600	34.1
96.03168	1.1
96.05290	3.1
96.08947	1.9
97.02878	11.0
97.06541	2.9
97.10160	7.6
98.20707	1.1
99.04424	2.6
99.08078	1.3
99.11718	1.3
105.07018	13.4
106.07366	1.5
106.09069	1.1
107.04950	4.6
107.08591	7.8
108.08965	1.2
109.02892	2.3
109.06540	3.0
109.10149	15.0
111.04404	2.5
111.08060	2.1
111.11665	1.0
115.05424	2.4
117.07017	7.2
118.07342	1.9
119.04916	1.1
119.08591	9.3
120.08901	3.1
121.06498	3.3
121.10126	6.3
122.10458	1.3
123.08044	1.2
123.11671	5.8
125.09615	2.1
127.03904	6.5
128.06233	1.5
129.06969	4.8
130.07339	2.2
131.04907	1.4
131.08607	6.6
132.08900	2.1
133.06482	3.1
133.10136	7.5
134.10464	2.2
135.08051	2.0
135.11696	3.1
137.13255	2.3
141.06975	2.0
143.08546	4.3
144.08936	2.0
145.04985	5.9
145.06490	3.6
145.10117	4.9
146.10464	1.9
147.04398	1.6
147.08035	1.3
147.11670	4.3
149.09589	1.5
149.13226	1.5
155.08543	2.4
156.09044	1.2
157.10094	2.3
158.10481	2.2
159.08101	1.7
159.11656	3.3
160.12022	1.4
161.06088	1.9
161.13309	1.2
163.06012	12.2
163.11169	1.3
167.08534	1.4
168.09033	1.3
169.10089	2.7
170.10533	1.8
171.08147	1.8
171.11668	2.0
173.06003	1.5
173.09734	1.3
173.13301	2.5
174.06635	1.0
181.10176	1.9
185.09575	1.2
185.13289	2.0
189.05420	1.3
189.11166	1.2
193.10251	1.1
193.12166	2.2
211.13197	1.7
221.22534	1.3
239.23674	24.5
257.24780	3.2
267.15973	1.6
268.16193	1.2
273.14838	2.2
274.15173	1.7
275.25906	1.4
301.14398	3.7
302.14719	1.3
313.27344	100.0
314.27777	1.5
319.15283	1.9
320.15744	1.6
322.78363	1.1
325.16940	1.3
331.28412	37.0
335.25775	2.9
336.26245	2.4
369.24478	1.2
370.24219	1.8
393.18893	1.4
444.28232	2.1
544.34943	1.2
614.87012	1.4
624.39215	1.9
636.39508	6.0
654.40759	8.3
672.31342	1.3
672.41748	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	672.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24855	0.9
53.03941	1.4
55.01863	1.5
55.05508	7.4
57.03437	3.8
58.25366	1.1
61.02930	1.5
67.05500	30.9
69.07071	8.3
69.31562	11.0
71.04995	1.6
79.05491	29.6
81.03395	3.6
81.07054	30.8
83.04986	4.1
83.08598	5.6
85.02911	2.5
85.06558	1.2
88.68581	0.9
91.05478	22.5
93.07040	31.6
95.04965	9.0
95.08614	11.6
97.02879	2.4
97.06535	4.1
97.10167	1.3
98.72300	1.0
103.93324	1.3
105.07032	13.5
107.04972	3.7
107.08598	12.6
109.06504	2.5
109.10137	2.2
115.05422	1.3
117.07014	4.7
119.08576	9.8
121.10145	4.8
123.08015	1.5
123.11685	1.0
129.06984	4.7
131.08560	3.3
133.10094	7.0
135.11739	2.5
136.00154	0.9
142.54640	1.0
143.08531	2.7
145.10110	2.9
147.11670	11.5
149.13260	4.5
159.11702	2.7
161.13281	2.9
171.11720	6.5
177.12657	1.3
182.06152	1.1
186.38034	1.1
189.12749	1.7
195.13847	2.9
207.13806	6.8
265.13092	1.3
269.17410	18.2
281.17462	18.5
283.13879	2.1
326.54990	1.1
471.82297	1.4
475.30551	100.0
476.30750	2.7
619.34875	1.2
683.56012	1.2
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
53.03936	2.0
55.01874	1.2
55.05511	6.7
57.03444	4.7
57.07059	1.0
65.03942	0.7
67.05505	24.6
67.05868	1.4
69.07075	8.4
71.04971	1.2
77.47727	0.6
79.05493	27.8
81.03410	2.6
81.07056	26.5
83.04982	5.4
83.08621	4.4
85.02925	0.7
85.06539	1.4
91.05479	20.4
93.07045	32.6
95.04960	6.8
95.08607	9.8
97.06538	4.4
97.10191	1.0
99.08122	1.1
105.07028	13.3
105.40427	0.7
107.04938	1.6
107.08590	12.6
109.06512	2.7
109.10181	1.3
111.08090	2.6
117.07037	4.1
119.08585	8.3
121.06550	1.0
121.10152	5.1
123.08079	1.5
128.06163	1.0
129.06978	5.1
131.08574	2.4
133.06534	0.8
133.10121	5.1
135.11679	2.6
143.08568	2.6
145.10138	2.5
147.08017	0.8
147.11682	10.0
149.13260	9.8
159.10486	0.7
159.11662	4.2
159.30415	0.6
161.09694	1.6
161.13167	3.7
171.11702	8.2
177.12738	1.7
185.93794	0.7
189.12787	2.8
195.13794	2.7
207.13786	10.5
229.32854	1.0
269.17480	24.8
281.17477	24.2
348.86313	0.8
475.30554	100.0
476.30902	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	672.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.05500	3.2
61.02893	1.1
67.05486	4.8
69.03410	2.9
69.07063	1.5
71.04975	1.5
71.59382	1.2
71.59801	1.4
78.14934	1.0
79.05478	2.8
81.03398	5.6
81.07047	2.7
85.02897	5.1
88.82632	1.0
91.05468	2.3
92.79113	1.0
93.07015	2.8
95.04972	2.8
95.08622	2.0
97.02866	2.2
99.04468	1.2
100.17036	1.0
103.05438	1.4
105.07024	7.2
107.04279	1.8
107.04951	17.9
107.08620	1.8
109.10168	1.3
115.05371	1.0
119.08579	1.4
121.06518	5.2
127.03884	1.7
131.04921	13.7
133.06474	10.1
135.08076	1.7
145.06509	5.9
147.04478	1.7
151.07541	2.3
153.01840	1.5
153.09105	1.6
165.09131	1.6
167.06989	1.2
177.05458	1.4
181.08604	15.6
182.09312	1.2
183.10152	2.3
193.12302	1.6
195.08093	1.7
197.09814	1.0
205.08585	1.8
219.10312	1.6
221.09573	3.8
238.09895	4.8
249.09109	2.0
253.12227	3.7
266.09268	1.8
267.10098	1.8
269.12314	1.1
270.12473	1.3
281.11694	7.5
283.09637	4.3
285.10037	1.7
298.11972	2.6
313.14319	100.0
314.14630	3.6
379.38699	1.0
460.27570	2.9
478.28934	2.4
637.24689	2.8
637.96777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.1
55.01855	9.9
55.05508	32.9
56.57095	1.9
57.03431	14.2
57.07066	3.3
65.03936	6.5
67.05499	85.5
69.03421	29.1
69.07062	26.9
71.04987	5.2
77.03941	2.3
79.05486	67.2
81.03410	36.8
81.07052	100.0
83.04977	15.3
83.08612	12.4
85.02911	10.3
85.06528	7.0
91.05476	68.0
93.07040	64.6
95.04964	31.1
95.08605	44.5
97.02891	7.8
97.06516	9.4
97.10156	6.3
98.21513	5.8
99.04426	4.2
99.08058	3.6
103.05452	3.4
105.04507	2.5
105.07021	61.2
107.04956	19.4
107.08584	35.8
109.02866	7.9
109.06514	12.4
109.10156	15.8
111.04431	6.7
111.08082	4.6
115.05447	6.0
116.76304	2.1
117.07009	35.5
117.65190	2.8
119.04919	3.1
119.08572	35.1
121.05732	2.1
121.06470	11.7
121.10137	23.2
123.04427	3.1
123.08044	5.9
123.11703	9.6
126.05322	2.3
127.03922	5.2
128.06207	8.6
129.06967	26.8
130.07809	4.3
131.04996	2.1
131.08556	39.5
133.06467	5.6
133.10117	31.6
135.08055	8.0
135.11652	16.0
137.09589	2.8
141.06966	13.1
142.07739	6.0
143.08557	29.0
145.06503	9.7
145.10118	27.7
147.08037	7.4
147.11664	23.0
149.09592	8.1
149.13243	15.8
151.07544	2.7
153.06995	5.4
154.07703	3.5
155.08521	13.8
156.09235	3.1
157.06485	5.1
157.10150	17.0
159.08049	6.4
159.11685	27.7
161.06033	2.3
161.09592	5.6
161.13266	7.4
163.07542	2.3
163.11218	5.8
165.07008	4.3
165.12784	6.3
166.07822	3.9
167.08591	12.0
168.09328	3.4
169.10098	19.5
169.69965	1.9
171.08075	5.6
171.11667	19.7
173.09657	6.4
173.13263	9.5
175.11212	6.2
175.14813	3.5
177.12761	6.7
179.08560	7.7
180.09372	2.4
181.10059	13.1
183.08081	4.7
183.11713	13.2
185.09605	6.1
185.13190	13.0
186.10339	2.5
187.11160	7.1
187.14760	5.1
189.12749	3.4
192.09305	2.7
193.10120	5.0
193.12015	2.6
195.08046	3.0
195.11914	10.0
195.13768	11.1
196.08818	3.1
197.09572	6.4
197.13251	9.7
199.11165	6.5
199.14821	4.4
201.12743	4.9
205.10152	3.7
207.11696	4.0
209.09615	2.8
209.13217	9.7
211.11101	4.8
211.14766	4.4
213.12712	4.9
213.14618	4.1
213.16472	3.2
215.10463	2.3
219.13858	2.2
221.13338	4.5
223.11179	4.0
223.14821	4.7
225.12804	3.0
230.01324	2.8
233.13278	4.3
235.14850	3.0
237.12662	2.8
237.16481	2.8
241.19504	5.0
257.18915	3.6
259.20486	5.6
267.15918	6.1
269.17368	15.0
271.20624	5.6
273.18460	3.2
275.20193	4.0
281.18692	3.1
283.20517	3.2
285.17056	2.4
295.20511	2.6
297.22260	3.6
299.20370	3.0
301.21509	4.6
307.20663	3.9
313.21451	2.7
315.23172	3.6
317.21213	3.9
321.21933	3.4
325.21539	4.4
337.21539	5.4
337.25458	2.2
339.23068	4.6
343.22858	4.1
349.21585	8.6
351.23062	6.4
359.22168	2.3
367.22711	15.6
369.24207	4.0
379.22073	2.5
385.23645	7.7
403.24826	2.6
441.26190	5.6
459.27176	6.1
525.34619	3.3
527.36981	4.2
530.39172	5.8
561.34918	3.8
579.36121	2.9
581.37903	4.0
593.38629	3.8
617.38287	4.8
623.39233	4.5
625.41003	3.1
635.39362	26.4
653.40466	34.9
671.30035	4.1
671.41382	62.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.2
54.93721	2.1
55.01875	11.7
55.05511	34.7
57.03437	10.6
57.07066	5.0
65.03934	8.8
67.05502	92.4
69.03423	31.2
69.07065	27.6
71.01323	3.4
71.04941	4.8
71.05278	4.4
79.05489	78.1
81.03411	37.7
81.07053	100.0
83.04964	17.1
83.08614	26.0
85.02896	7.6
85.06535	5.3
90.49316	2.6
91.05476	83.5
93.07043	76.6
95.04966	45.3
95.08601	50.9
97.02896	7.7
97.06530	13.0
97.10159	10.2
99.04414	5.0
99.75896	2.4
103.03960	2.6
103.05457	8.5
105.07026	56.4
107.04952	23.3
107.08595	47.3
109.02901	7.9
109.06513	13.1
109.10156	14.8
111.04431	7.1
111.08069	6.0
113.06003	3.4
115.05457	5.1
117.07014	32.5
119.04948	3.9
119.08586	44.5
121.02895	3.2
121.06474	14.3
121.10125	24.3
123.04407	3.7
123.08080	8.9
123.11699	9.8
124.87303	2.6
125.09657	5.2
127.03886	4.6
128.06224	7.8
129.05469	4.8
129.07005	26.3
130.07764	2.5
131.04951	5.3
131.08560	45.2
133.06503	10.6
133.10120	44.4
135.08067	10.3
135.11681	16.2
137.09610	5.0
137.53079	2.5
141.06999	7.9
142.07771	4.0
143.08542	25.9
144.09306	4.7
145.06477	14.5
145.10127	31.5
147.04385	5.0
147.08055	10.1
147.11670	24.4
149.05957	4.5
149.09616	7.1
149.13210	11.6
151.11183	5.0
153.07014	4.9
154.07742	3.7
155.08566	17.4
157.06499	6.4
157.10135	22.6
159.08058	10.7
159.11671	24.0
160.68967	2.1
161.05927	2.9
161.09627	7.9
161.13260	4.3
163.07492	2.9
163.11183	5.9
165.06996	7.0
165.12775	6.8
166.07826	3.7
167.08604	9.6
169.10162	18.4
171.08026	9.6
171.11707	16.5
173.09624	7.3
173.13255	10.6
175.11163	9.0
175.14725	2.4
177.12750	7.0
179.08507	5.5
181.10120	9.4
183.08075	4.1
183.11694	13.5
185.09654	7.2
185.13242	11.7
187.11142	4.0
187.14835	5.1
189.09114	3.4
189.11241	3.8
191.10629	3.4
193.10175	7.0
193.12363	2.6
195.07938	3.2
195.11714	9.6
195.13806	10.5
197.09645	3.4
197.13260	9.0
199.11205	5.8
199.14792	5.7
201.12790	4.6
205.12242	2.9
207.11734	7.1
207.13786	3.2
209.13257	9.9
211.11183	4.9
211.14780	4.6
213.12698	2.9
216.43831	2.4
219.11708	3.9
221.13127	5.2
223.11230	5.0
223.14822	5.8
225.12672	6.0
231.13783	3.1
233.13191	4.2
235.14873	3.2
258.60269	2.3
259.13089	3.0
259.20517	5.1
265.15695	3.0
267.15942	3.8
269.17325	15.3
271.17023	3.0
271.20499	4.4
273.14871	5.8
273.18558	4.6
275.19916	4.3
283.20352	2.3
287.16626	2.7
287.20200	2.8
289.18414	3.1
291.19540	4.4
297.18671	3.5
297.21890	4.1
299.20016	4.0
301.14340	6.3
301.21567	4.5
303.15759	4.0
313.21649	4.2
315.23193	3.8
319.15463	4.4
321.22006	4.0
323.20154	3.5
325.21585	4.2
335.25681	5.6
337.21515	4.7
339.23083	7.0
343.22507	4.0
349.21634	9.5
351.23160	9.4
367.22449	14.1
369.24329	8.7
385.23700	6.2
441.26147	7.6
443.27850	2.8
459.27435	5.5
527.37305	3.5
543.35449	4.0
581.38190	4.8
611.39355	3.8
617.38159	5.2
623.39392	9.2
635.39398	31.9
639.28009	3.1
653.40546	37.7
671.30566	8.8
671.41443	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	671.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.1
53.03946	9.8
53.44961	1.8
55.01875	14.9
55.05256	3.1
55.05510	42.6
56.64571	2.2
57.03439	17.4
57.07072	4.7
65.03934	8.6
67.05507	97.4
69.03428	29.1
69.07069	38.5
69.53198	12.3
70.12014	1.7
71.01358	3.2
71.04984	8.5
79.05492	86.9
80.05832	2.0
81.03419	47.8
81.07055	100.0
83.04979	18.3
83.08617	22.2
85.02908	8.1
85.06547	5.1
88.63451	1.6
91.05479	90.5
93.07043	75.3
95.04965	66.7
95.05553	4.0
95.08607	55.4
97.02903	10.8
97.06525	10.3
97.10159	13.4
99.04437	5.2
99.08073	2.6
103.03945	2.1
103.05450	4.4
105.07027	71.4
107.04944	33.4
107.08595	44.2
107.09290	3.5
109.02875	6.9
109.06519	14.5
109.10162	20.7
111.04461	9.7
111.08092	6.6
115.05463	8.3
116.06236	2.2
117.07023	38.1
119.04952	8.7
119.08581	53.5
121.02863	6.4
121.06502	15.3
121.10159	26.6
122.07267	3.1
123.04425	6.5
123.08057	8.3
123.11714	5.2
125.05991	3.1
125.09645	11.9
127.03933	2.5
128.06256	8.2
129.07005	31.4
130.07771	2.9
131.04944	8.5
131.08571	42.5
132.09393	2.5
133.06494	16.1
133.10114	30.2
135.04433	4.2
135.08049	12.6
135.11679	15.3
137.05991	5.7
137.09656	4.1
139.07562	2.2
141.06987	10.9
142.07759	3.9
143.08560	23.4
145.06485	17.9
145.10126	30.0
147.04405	7.1
147.08018	13.6
147.11699	19.7
149.05981	6.2
149.09615	9.5
149.13240	15.2
151.07521	3.0
151.11191	4.3
153.07002	4.6
153.09106	2.4
155.08546	18.2
156.09286	2.3
157.05121	3.3
157.06512	7.9
157.10110	20.1
159.08052	10.4
159.11676	20.0
161.05980	8.6
161.09586	12.0
161.13341	6.5
163.07526	3.3
163.11118	10.6
163.14906	2.1
165.07010	4.5
166.07759	3.0
167.08604	7.5
169.06441	3.1
169.10147	11.6
171.08116	6.7
171.10339	3.5
171.11668	17.1
173.05978	4.6
173.09642	8.4
173.11954	2.1
173.13216	9.9
174.06813	6.3
175.07587	3.2
175.11183	8.0
175.14838	2.3
177.12788	7.5
178.07800	2.5
179.08606	4.4
180.09352	4.6
181.10080	11.5
183.08084	4.1
183.11699	16.5
185.09637	7.5
185.13268	11.3
187.07588	5.9
187.11246	7.9
187.14865	3.0
189.05495	6.0
189.11205	4.6
189.12807	4.1
191.07021	2.4
191.14415	2.7
193.10141	7.2
195.08176	3.5
195.11754	8.3
195.13837	5.1
197.09648	5.1
197.13260	9.2
198.10402	2.0
199.07578	2.2
199.11185	5.9
199.14874	4.6
201.09120	1.9
201.12791	4.5
203.10793	3.8
205.10226	3.1
205.12337	5.7
207.11742	6.5
207.13557	2.0
208.12303	2.3
209.09724	5.1
209.13275	6.6
211.11252	2.8
211.14851	4.7
213.12799	5.9
213.16516	2.2
215.14447	2.8
217.12320	2.5
219.11778	3.5
219.13770	3.5
221.09793	2.6
221.13414	4.2
223.11256	3.6
223.13354	7.6
223.15182	2.5
225.12683	4.8
225.16458	3.5
227.12630	3.0
233.13298	2.9
233.15414	4.0
235.13167	2.5
237.12782	3.0
239.14380	3.1
245.15482	2.1
255.13924	3.1
257.15414	2.7
257.19034	2.6
259.20609	6.4
261.14853	2.9
261.22275	3.1
267.15875	5.7
269.17343	9.0
271.20621	3.0
273.14905	16.6
273.18469	9.6
275.20111	5.8
277.14417	2.0
283.13205	4.6
283.20486	2.0
285.14743	4.6
289.18011	3.2
290.18634	2.4
291.19507	21.9
299.20081	3.7
301.14304	14.3
303.15973	9.5
307.19370	2.8
313.21716	2.2
315.23224	3.5
319.15402	6.3
325.21573	3.5
333.24420	3.6
335.25986	9.7
337.16739	2.3
337.21573	4.6
339.23267	3.4
349.21518	5.7
351.23227	3.5
367.22653	6.7
369.24500	2.2
375.18048	5.5
375.23376	2.0
385.23718	3.7
393.19180	4.2
441.26379	4.3
459.27286	3.5
530.38458	2.9
539.37378	2.4
543.35101	4.2
551.36993	2.4
561.35748	3.2
581.38275	5.2
593.39105	2.3
597.37775	6.6
599.37738	2.9
607.39288	2.1
611.39264	3.3
617.38263	7.2
623.39520	7.5
625.37231	22.4
635.39337	38.1
653.40448	27.5
671.30255	4.6
671.41425	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	671.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93615	3.3
53.03941	9.6
55.01860	5.7
55.05508	36.9
55.14606	3.4
56.61832	3.3
56.96573	4.8
57.03434	20.4
61.02922	6.6
65.03943	5.2
67.05499	64.1
69.03423	22.6
69.07059	17.5
71.04988	16.9
71.60284	4.2
71.60646	5.0
79.05491	57.9
81.03412	97.7
81.07057	63.5
83.04984	32.2
83.08621	31.3
85.02897	18.6
85.06551	7.2
87.02509	3.5
91.05482	56.1
91.93999	3.6
93.07036	42.0
95.04968	37.3
95.08603	29.7
97.02884	18.0
97.06547	7.2
97.10161	31.7
99.04472	4.8
105.07036	32.8
107.04965	26.0
107.08591	32.3
109.02874	11.0
109.06527	14.0
109.10146	17.4
111.04449	10.9
111.08073	11.8
112.06760	4.0
115.05427	5.0
116.06181	4.1
117.07029	15.5
119.04929	3.6
119.08601	23.5
121.06497	17.5
121.10142	25.7
123.04408	7.0
123.08092	8.1
123.11674	4.0
125.09577	25.4
127.03953	11.3
129.05518	7.9
129.07019	21.6
131.04922	7.1
131.08585	22.2
133.06528	9.8
133.10130	15.9
135.08063	12.9
135.11728	7.0
137.05991	5.8
141.07040	4.2
143.08568	4.8
145.06477	10.6
145.10146	11.5
147.04433	12.2
147.08047	8.4
147.11707	18.1
149.09610	13.1
153.01840	9.2
153.09087	5.1
155.08557	8.0
157.10156	12.2
159.08038	6.1
161.05898	3.9
161.09610	3.8
163.11203	8.9
165.12744	6.8
165.70796	3.7
167.10675	4.8
171.08128	7.0
171.11781	4.5
173.04451	9.1
173.09615	5.2
175.11208	14.3
189.11217	12.1
189.12726	3.8
193.12239	32.5
195.11768	5.9
197.13120	4.1
209.11642	6.9
211.13269	24.2
215.14488	4.7
219.13780	6.9
225.14966	3.6
227.12631	20.7
229.14345	6.1
231.13956	3.5
233.15404	12.5
242.34853	3.6
249.14850	7.3
255.13968	4.2
267.09363	5.1
267.15863	36.2
273.14853	10.7
283.15613	4.5
285.10129	15.4
301.14127	6.7
346.48306	3.9
349.21698	8.4
357.24335	5.6
367.22897	26.7
385.23770	48.5
403.24725	15.0
441.26404	14.4
459.27454	98.3
477.28497	100.0
478.28961	5.3
491.30139	21.1
509.30899	10.3
585.30627	4.7
621.32806	8.4
671.35107	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	671.149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00675	0.8
56.96563	14.6
71.53265	2.1
84.96040	6.4
85.02911	0.9
98.97579	36.1
102.97091	1.2
105.34821	0.9
110.97570	7.0
110.98255	1.3
112.99148	1.0
115.97852	1.4
116.98615	33.9
120.08102	3.0
128.98592	19.6
130.11044	1.0
131.00174	3.6
134.99664	21.4
135.00653	1.9
143.00182	3.1
146.99646	22.5
149.01225	4.2
152.98595	1.3
153.00706	1.6
153.01817	2.4
158.99675	3.6
161.01221	7.9
162.99181	2.0
165.00728	3.5
166.08649	1.6
167.02275	1.1
170.99623	7.0
176.99290	1.3
177.00716	8.5
179.02251	1.8
189.00706	7.8
195.01712	1.5
195.04942	1.0
197.01234	2.5
201.00580	4.2
211.02769	1.6
212.00072	1.1
213.04201	1.2
215.02335	0.9
219.01762	33.4
223.02852	3.0
226.01427	5.6
235.02756	11.6
237.02808	100.0
238.01422	1.2
241.03810	15.0
242.03481	1.8
244.02559	2.7
253.03804	15.0
255.01564	1.8
255.03870	10.4
259.02319	1.2
259.04770	6.0
260.02060	2.2
260.04492	2.6
263.04391	3.3
265.03854	2.2
269.03366	2.0
271.04880	8.4
278.03223	2.1
281.05524	2.2
283.04929	2.6
295.04913	1.7
304.02493	1.3
313.05893	1.3
319.04846	4.2
325.06134	1.0
337.05862	5.6
355.07297	0.9
367.06790	6.3
371.06628	1.6
379.07092	1.1
385.07983	6.1
397.07916	3.7
413.07639	3.5
415.09119	31.7
433.10220	24.5
443.08664	2.2
456.11548	1.2
461.09735	11.4
489.09207	1.7
491.10742	10.9
558.05768	1.0
581.15442	1.1
595.13354	54.9
635.12445	1.7
671.14783	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	669.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.6
55.01863	3.0
55.05261	1.7
55.05507	21.9
57.03424	10.2
57.07062	1.4
65.03932	5.3
67.05501	71.3
69.03416	8.8
69.07065	11.9
69.45372	1.5
69.45683	13.0
71.01327	1.9
71.04640	1.9
71.04993	22.9
73.06505	2.0
79.05488	69.2
81.03414	36.3
81.07052	99.6
83.04971	24.5
83.08621	8.4
85.02905	4.7
85.06562	8.5
91.04893	1.9
91.05472	53.7
93.07035	65.5
95.04963	19.6
95.08595	29.4
95.71011	1.3
97.02881	9.6
97.06513	8.6
97.10149	5.8
98.21501	2.8
99.04452	4.3
99.08076	2.7
105.04495	2.0
105.07018	35.0
107.04937	7.7
107.08594	26.6
109.02864	6.3
109.06534	8.1
109.10149	6.4
111.04436	3.3
111.08070	2.9
115.05446	2.3
117.07017	9.6
119.07784	1.9
119.08576	22.9
121.06496	3.3
121.10126	10.1
123.08049	3.5
123.11728	7.3
125.99727	1.5
127.03892	4.7
127.07522	1.4
128.06174	2.3
129.05472	5.6
129.06982	12.4
130.87401	1.4
131.08562	9.1
133.10121	19.4
135.08044	2.5
135.11694	7.0
143.08557	7.6
145.10129	10.2
147.08049	2.7
147.11678	33.6
149.13220	7.4
151.11154	5.7
157.10075	3.1
159.11743	6.7
160.19621	1.4
161.09592	3.4
161.13252	7.9
163.11102	2.4
171.11670	20.5
173.04439	12.0
173.13153	1.5
177.12772	3.8
179.14302	2.3
183.13783	1.6
187.13275	6.4
189.12730	9.5
195.13779	2.8
201.14795	1.8
207.13783	27.6
213.14851	1.8
223.52954	1.6
225.14871	6.0
227.12770	2.9
236.06184	1.3
243.15788	2.0
257.17386	2.0
266.72699	1.7
267.15912	1.9
269.17429	2.2
281.17435	33.1
283.15524	1.9
301.20096	2.0
319.11819	1.6
339.18002	3.8
395.20551	1.4
413.21631	3.4
445.24329	11.8
449.22656	2.3
449.28979	55.3
463.30588	7.2
475.30533	100.0
476.30692	3.1
489.28384	2.9
507.33163	7.9
547.91968	1.6
619.34528	10.2
624.15399	1.7
651.37360	21.6
669.41162	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	669.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.5
55.01863	3.6
55.05503	18.2
57.03442	9.1
58.32008	1.7
65.03951	5.0
67.05502	67.5
69.03412	11.1
69.07069	13.0
71.04992	23.7
73.06583	2.4
79.05492	57.3
81.03418	36.3
81.07055	86.1
83.04975	19.5
83.08619	11.6
85.02892	3.3
85.06544	5.3
91.04902	1.8
91.05473	51.7
93.07043	66.0
95.04967	20.1
95.08611	26.2
97.02900	6.7
97.06516	5.5
97.10159	3.8
99.04423	3.7
105.07030	36.3
107.04960	7.2
107.08585	23.4
109.02863	2.5
109.06506	6.9
109.10158	7.6
111.08060	2.3
117.07022	10.9
119.08585	18.3
121.06486	2.2
121.10135	7.5
123.08058	4.5
123.11700	5.7
127.03884	5.6
127.07487	2.8
129.05447	5.2
129.07008	10.4
131.08560	6.0
133.06438	1.9
133.10121	19.6
135.11732	2.4
143.08571	8.4
145.10118	7.7
147.08008	2.9
147.11693	25.0
149.13268	5.6
151.11188	4.1
159.11726	4.6
161.13310	9.2
171.11684	18.3
173.04443	11.4
177.12718	3.8
183.13867	3.2
187.13300	3.1
189.12744	9.4
193.85019	1.9
195.13721	2.6
201.14864	3.9
207.13756	25.1
213.14751	2.5
225.14859	6.4
257.17435	2.9
270.47598	2.0
281.17459	31.8
334.42267	2.0
362.14313	2.1
413.21457	5.1
445.24091	11.1
449.28992	50.8
450.29593	2.6
463.30511	5.5
475.30536	100.0
476.30600	3.5
507.33176	9.1
528.37421	2.9
619.34723	10.2
651.37445	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	669.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15639	1.2
56.18800	1.3
56.49310	1.6
56.96561	19.4
60.83365	1.2
68.94813	1.2
69.03400	1.5
71.59171	1.7
74.79693	1.3
83.92636	1.1
84.96028	9.3
85.02913	2.9
90.70451	1.1
97.02868	2.1
98.97585	34.2
102.97044	2.9
110.97571	4.4
112.99130	2.9
116.98622	30.5
119.04944	1.4
123.04446	1.4
127.03913	2.8
128.98584	7.9
131.00160	3.5
133.01764	1.4
134.99657	16.4
143.00160	1.6
144.98064	2.0
145.04942	2.5
146.99675	8.6
147.04407	6.3
148.04745	3.4
149.01208	4.8
151.02794	4.3
152.98589	1.7
153.01852	4.9
157.01799	2.0
158.99637	16.5
161.01212	7.8
162.99156	5.8
163.03860	2.0
163.06091	1.6
165.05446	3.7
169.01819	1.2
170.99654	5.0
175.02769	5.5
177.00706	27.9
177.02182	2.7
179.02351	1.6
187.02994	1.5
189.00703	3.8
190.96535	1.3
193.03781	4.5
195.01755	2.5
198.99162	2.1
199.06969	1.3
201.00638	6.3
208.97614	4.4
213.00679	5.5
217.03889	3.5
219.01733	24.4
222.99162	4.2
226.98630	36.3
227.02184	1.7
229.00227	7.8
229.03810	3.5
231.01680	1.9
235.04915	2.6
237.02817	46.9
241.00197	16.5
241.03926	1.6
243.01715	2.0
244.99673	18.5
247.01256	8.0
250.98543	2.4
255.03819	3.7
258.98615	2.8
259.01254	42.4
263.00742	11.5
266.30698	1.3
268.99631	13.9
277.02307	16.5
277.05930	11.6
282.02908	2.4
283.01233	13.1
283.04318	1.7
285.06564	1.7
287.00745	6.9
295.06970	42.5
301.02261	21.9
303.04288	1.4
303.07513	3.5
311.00745	3.4
313.02042	1.7
315.06476	1.5
318.08463	1.9
328.98010	1.5
329.01785	3.8
353.01627	1.9
374.50790	1.6
429.06924	100.0
430.07385	1.6
447.07962	65.2
448.08258	2.3
457.06302	4.2
470.09698	3.4
475.07443	13.4
503.06589	2.1
505.08411	11.2
533.56506	1.3
547.11066	2.1
578.93988	1.4
591.63202	1.5
593.11713	68.0
607.13013	2.1
633.10681	2.7
669.13208	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	668.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.01861	3.3
55.05504	8.6
57.03421	13.0
59.04998	3.7
61.02913	2.3
67.05503	60.1
68.18037	2.0
69.03417	3.8
69.07043	4.0
69.62140	6.3
69.62572	10.5
71.04978	4.5
72.08156	2.6
79.05495	11.2
81.03415	52.7
81.07052	22.6
83.04981	5.6
83.08622	11.7
85.02892	5.7
91.03988	3.1
91.05459	16.6
93.07030	13.4
95.04960	14.1
95.08615	6.3
97.02926	2.7
97.06538	2.9
97.10192	2.4
98.21523	2.3
105.07030	8.5
105.56788	2.3
107.04950	5.1
107.08598	9.6
109.06513	3.2
109.10146	61.4
111.08073	6.7
117.07014	2.8
119.08576	11.7
121.06490	2.2
121.10091	3.5
123.04473	2.4
129.07002	5.5
131.08589	6.7
133.10130	6.0
137.09615	4.7
141.53960	2.5
147.04413	3.9
147.07967	2.6
147.11642	4.9
149.09642	6.0
150.52135	2.0
151.11266	2.4
157.10120	4.8
173.11700	15.7
175.11192	6.1
177.05486	4.2
193.12245	15.2
211.13177	4.1
213.28365	2.3
229.14346	83.6
249.14832	2.4
253.08165	2.2
267.15894	78.2
329.21002	3.3
403.24698	8.4
421.25833	100.0
422.26511	2.9
463.26422	3.1
668.32678	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	667.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89464	1.1
53.03944	9.3
55.01860	5.7
55.05509	20.6
57.03434	9.7
57.07073	50.5
59.05012	1.6
63.00827	1.3
65.03923	3.0
67.05498	36.0
69.03428	19.8
69.07064	17.3
69.25767	13.6
71.04984	8.6
71.08625	31.4
71.09000	2.4
73.02899	1.5
79.05489	20.6
81.03413	100.0
81.07051	46.9
82.03702	1.3
83.04971	16.2
83.08613	23.0
84.29480	1.2
85.02892	15.0
85.06532	2.3
85.10168	18.3
91.05475	27.8
91.06012	2.3
93.07037	16.8
94.48528	1.3
95.04963	22.9
95.08600	36.0
97.02885	24.5
97.06528	5.0
97.10152	8.2
99.04451	5.9
99.08099	1.7
105.07022	19.5
107.04946	7.9
107.08580	9.3
107.43251	1.3
109.02874	22.9
109.06529	4.2
109.10137	15.5
110.57101	1.2
111.04438	9.6
111.08076	6.9
114.06992	1.2
115.05461	2.3
117.07024	6.4
119.04948	1.6
119.08579	15.1
121.06528	3.6
121.10155	5.4
122.55287	1.2
123.04417	4.6
123.08051	1.5
123.11723	7.9
125.13284	1.3
127.03896	15.4
127.04667	1.4
128.06232	1.4
129.05524	1.6
129.06999	10.2
131.04985	1.3
131.08563	10.1
133.06528	2.7
133.10130	8.2
135.11731	2.2
137.05939	1.9
137.09662	1.9
137.13260	2.8
139.59511	1.2
142.07751	1.6
143.08543	2.6
145.06500	2.9
145.10136	3.5
147.08047	3.3
147.11676	18.9
149.09639	4.7
157.06520	1.9
157.10129	10.3
159.11737	1.2
163.11212	4.5
165.12729	7.3
171.11728	1.9
173.04539	3.1
173.09673	1.7
175.11150	10.7
177.72795	1.2
181.12260	3.3
189.12778	1.8
191.10736	4.8
193.12213	33.9
193.13835	2.0
209.11765	1.6
211.13289	47.7
211.15213	2.4
217.12283	1.9
227.12785	4.4
227.14658	1.6
229.14470	1.9
235.13351	1.8
239.23737	7.7
249.15002	1.9
255.14049	3.4
267.15884	17.2
273.14899	5.0
285.17038	3.6
301.14423	2.4
313.27304	35.1
319.15494	2.1
337.16348	7.6
341.26840	1.6
355.17529	10.4
383.27960	4.1
393.19708	1.9
404.89285	1.3
411.20148	12.4
505.39105	6.6
523.39862	14.1
523.46930	1.4
585.40991	1.4
589.40753	1.6
649.43030	3.4
667.44141	83.6
668.44458	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	667.3297
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
53.03938	0.8
55.01864	0.5
55.05505	1.7
55.47123	0.5
57.03434	2.1
61.02918	4.2
67.05496	5.5
69.03427	2.9
69.07053	1.4
69.27042	6.5
71.01358	0.7
71.04985	1.1
73.02913	2.6
79.05493	5.3
79.89265	0.5
81.03416	4.3
81.07034	3.6
83.04989	0.7
83.08603	0.8
85.02909	5.8
85.06525	0.6
91.03918	2.8
91.05471	4.4
91.87058	0.5
93.07028	4.1
95.04980	1.8
95.08610	1.3
97.02889	4.2
97.06541	1.4
97.10148	0.5
101.02367	1.5
105.07028	2.4
107.04966	0.8
107.08598	3.4
109.02888	1.3
109.10107	1.1
111.08032	0.8
117.07021	0.9
119.08562	1.9
121.10139	1.0
127.03873	1.6
129.07021	1.1
131.08594	1.5
133.10121	1.7
135.11688	4.6
141.41870	0.6
145.10089	1.1
147.04465	0.6
147.11676	1.0
149.09679	0.7
155.59483	0.5
157.10139	1.0
163.11246	1.0
181.12144	0.7
193.12221	1.2
205.99280	0.5
221.11559	0.7
243.08418	2.0
251.12659	0.8
277.14227	0.8
281.17548	1.1
285.10080	0.7
308.55576	0.6
358.43408	0.5
439.19373	8.2
469.20380	4.4
470.27557	0.6
512.77142	0.6
617.81561	0.5
667.32935	100.0
668.33368	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	665.35
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24924	0.2
53.03935	0.4
55.01859	0.3
55.05510	0.8
57.03424	0.9
61.02928	2.1
67.05502	4.2
69.03433	1.5
69.07066	1.3
69.31603	1.3
69.32033	1.4
71.04984	0.4
73.02913	2.0
77.73686	0.2
79.05477	1.9
81.03430	1.6
81.07050	4.0
83.04978	0.5
83.08617	1.1
85.02898	2.3
87.04472	0.3
91.03950	1.4
91.05464	1.5
93.07030	3.7
95.04980	0.6
95.08590	1.3
95.22396	0.3
97.02876	1.8
97.06521	1.2
99.04462	0.5
101.02373	0.9
105.07030	0.7
107.08595	1.8
109.02892	0.6
109.06514	0.2
109.10161	0.7
111.08070	0.5
117.07008	0.6
119.08620	0.5
121.10126	1.7
127.03919	1.0
131.08578	0.8
133.10126	1.0
135.11650	0.8
135.46039	0.3
145.10063	0.4
149.02347	0.3
149.13248	2.5
159.11717	1.2
173.04411	0.3
177.12799	0.4
195.13861	0.4
235.13086	1.0
243.08467	1.0
253.12799	0.3
269.17477	0.5
271.14001	0.4
275.20123	0.7
291.15762	0.5
349.23834	0.3
453.20892	11.8
665.35016	100.0
666.35181	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	667.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95778	0.7
56.96554	1.3
58.99883	0.8
62.66524	0.7
69.03423	1.9
70.99796	1.1
71.13913	2.3
73.02899	0.9
75.19266	0.8
77.00909	4.3
81.03411	3.9
85.02895	2.1
93.34257	0.9
95.01927	3.1
97.02882	1.4
98.97575	2.3
101.00859	4.4
105.00360	1.1
107.04937	1.6
109.02866	4.8
113.00838	1.0
115.02447	1.6
116.98595	2.2
118.01118	3.3
119.01921	24.9
123.04419	1.0
127.02359	2.1
127.03877	2.1
131.01894	8.2
131.96097	1.6
133.03471	6.2
135.01347	1.7
137.02948	4.7
139.02400	2.5
142.01099	1.2
143.01868	3.8
145.03462	12.9
145.04581	1.2
145.05037	1.0
147.01370	2.1
149.02904	1.9
155.01886	2.2
156.02682	8.6
157.02226	1.4
157.03462	22.7
159.05061	5.0
160.02206	4.1
160.03331	0.8
161.01563	1.0
161.02925	7.0
163.04504	2.3
167.01938	4.1
169.03421	2.3
171.05038	1.5
173.02953	3.7
174.03735	1.6
175.04558	9.1
177.02554	1.2
181.03436	1.6
184.02179	5.8
185.02959	15.8
187.04489	2.0
189.00604	1.2
189.02444	1.4
195.05049	2.9
197.03015	0.9
199.04536	7.8
201.00607	1.0
202.03171	1.0
203.03970	8.9
204.98389	0.9
205.03569	1.0
207.05014	2.1
211.98555	0.9
213.05952	1.1
217.03661	0.8
217.05569	12.3
219.01779	2.2
219.05081	1.5
221.04958	7.3
223.04486	2.8
225.06071	1.6
230.08646	0.9
233.06569	2.0
235.04570	2.8
235.06612	39.7
237.02773	1.5
237.06099	1.8
243.01810	0.9
245.04922	2.4
249.06102	2.3
251.04199	1.1
251.07597	1.5
253.07695	100.0
254.07845	2.3
261.02740	1.4
261.06006	1.0
263.05850	4.5
267.07022	2.4
269.05157	1.4
271.06747	1.6
271.08899	9.7
275.07709	2.0
276.00320	1.0
276.06870	6.6
276.09238	1.5
279.03766	1.0
281.07129	9.2
291.07028	1.5
293.07043	8.8
294.08020	6.5
309.08182	1.8
311.08203	25.9
334.09796	1.5
365.10550	2.0
369.10370	4.9
371.11929	5.3
372.93195	1.4
376.39246	0.9
383.11707	3.6
387.11334	6.9
389.12842	3.8
397.09836	15.4
399.11365	2.9
401.12900	5.2
409.09695	1.5
411.06088	2.1
411.11334	17.5
415.10828	79.7
416.10880	2.5
417.12067	1.0
427.10995	2.5
429.12466	29.2
437.09247	5.6
438.12314	3.4
452.13782	1.4
455.10315	42.4
456.10626	1.9
473.11383	50.8
474.11591	2.1
478.11948	1.2
491.12540	13.3
496.12668	1.8
514.13715	0.9
667.13556	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
53.45659	0.2
54.54518	0.3
55.01872	0.8
55.05509	1.7
57.03439	1.2
61.02929	3.6
67.05500	6.1
69.03431	2.1
69.07063	1.6
71.04990	1.5
72.08144	3.0
73.02914	2.8
79.05491	4.1
81.03411	2.3
81.07056	7.3
82.07395	0.6
83.04981	1.1
83.08618	1.3
85.02900	4.1
85.06554	0.5
87.04482	0.4
91.03960	2.5
91.05474	3.5
93.07040	5.0
95.04984	1.1
95.08596	2.4
97.02890	3.3
97.06538	0.7
97.10163	0.3
99.04436	0.7
100.76872	0.3
101.02376	1.5
102.19418	0.3
105.07012	1.9
107.04961	0.5
107.08593	3.2
109.02864	0.8
109.06497	0.6
109.10146	1.4
109.19727	0.3
109.75958	0.3
111.08085	0.7
115.03939	0.4
117.07040	1.2
119.08575	1.2
121.10139	1.5
123.08115	0.3
123.11726	0.6
127.03889	1.5
131.08560	1.4
133.10143	2.0
135.08061	0.3
135.11681	1.2
135.79637	0.3
145.04996	0.3
147.11705	1.0
149.02361	1.1
149.13214	1.6
151.11110	0.3
159.11656	1.5
170.05800	0.7
173.11853	0.3
175.11392	0.3
177.12750	0.6
183.04100	0.3
185.04193	0.5
193.05055	0.9
195.13843	1.0
203.05357	0.4
218.92642	0.3
229.14519	0.5
235.13026	1.7
243.08403	1.9
262.59177	0.3
269.17514	1.2
271.14023	0.5
275.20041	0.7
291.15631	0.7
315.05057	0.3
353.15948	0.3
403.22812	0.4
424.27988	0.3
452.30969	0.9
453.20959	15.6
454.21497	0.4
495.33142	0.4
496.34299	1.8
501.18649	0.4
503.29623	0.5
519.20349	0.5
665.35046	100.0
666.34906	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	665.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01872	0.7
55.05513	1.8
57.03430	1.4
57.97462	0.3
58.45478	0.3
59.05005	0.3
61.02927	3.5
65.03946	0.3
67.05500	6.6
69.03434	2.4
69.07072	2.2
69.26705	1.0
69.27127	2.3
71.01353	0.3
71.04990	0.5
73.02921	2.7
79.05497	3.6
81.03411	2.3
81.07058	7.4
83.05014	0.6
83.08624	1.6
85.02911	3.8
91.03948	1.9
91.05482	2.5
93.07040	4.8
95.04979	1.1
95.08595	2.0
97.02895	3.7
97.06535	1.3
97.10183	0.5
98.33450	0.3
99.04440	0.8
101.01803	0.3
101.02367	1.8
105.07030	1.7
107.04916	0.4
107.08589	2.7
109.02900	1.2
109.06531	0.6
109.10170	1.9
111.08096	0.7
117.07006	1.2
119.08591	1.0
121.06431	0.3
121.10133	1.8
123.11710	0.3
127.03905	1.6
131.08565	1.2
133.10112	1.5
135.11694	1.1
143.08643	0.4
145.10109	0.6
147.11723	1.0
149.09607	0.5
149.13239	1.8
151.11104	0.4
159.11728	1.2
163.11195	0.3
177.12840	0.5
185.04231	0.5
195.13835	1.1
229.14267	0.4
235.13118	1.4
239.65146	0.4
243.08444	1.3
269.17557	0.6
275.20160	1.3
291.15863	0.4
292.31290	0.3
314.28903	0.3
349.23560	0.5
373.18796	0.4
453.20963	14.5
647.37268	1.0
665.35040	100.0
666.35516	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	665.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01083	0.3
53.03933	0.6
55.05504	1.1
56.20494	0.3
57.03427	1.7
61.02921	3.2
67.05499	4.4
67.27131	0.3
69.03409	2.0
69.07072	1.9
69.49031	2.7
71.04990	1.1
72.08154	1.7
73.02901	2.0
79.05485	3.1
81.03422	2.1
81.07050	5.9
83.04985	0.9
83.08633	1.4
85.02905	3.5
90.62546	0.4
90.87249	0.4
91.03967	2.7
91.05479	2.7
93.07035	3.8
93.81468	0.3
95.04968	0.8
95.08593	1.7
95.78135	0.3
97.02888	2.5
97.06541	1.0
99.04459	0.5
101.02385	1.6
103.03953	0.3
105.07049	1.1
107.08588	2.3
109.02915	0.9
109.06525	0.4
109.10158	1.0
111.08108	0.5
117.07047	1.1
118.23817	0.3
119.08574	0.8
121.06480	0.6
121.10146	1.1
127.03908	1.7
129.06995	0.4
131.08592	1.0
133.10123	1.9
135.11705	1.0
137.29359	0.3
145.10126	0.4
149.02357	0.5
149.13295	1.5
159.11751	1.1
177.12793	0.7
185.04321	0.4
195.13786	1.7
203.05238	0.7
229.14383	0.4
235.13106	1.6
243.08476	1.5
269.17557	1.1
271.13956	0.7
275.20102	0.5
291.15750	0.6
397.16046	0.4
453.20929	16.8
496.33408	1.1
503.29764	0.5
542.58405	0.4
665.35022	100.0
666.35541	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	663.4534
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	57.3
63.62261	0.9
71.57888	1.2
91.05485	6.3
102.61363	1.1
102.94949	1.0
105.07030	2.3
105.13621	1.2
109.72596	1.0
117.05222	0.9
119.80941	1.1
145.82007	1.3
147.11681	7.0
152.06282	2.0
153.06995	3.8
228.09113	1.1
233.03627	6.0
251.04668	20.3
307.10849	1.4
327.07791	100.0
383.14053	57.1
383.19101	2.3
439.20322	54.2
450.59909	1.2
495.19119	2.2
495.26559	60.1
551.32837	75.6
607.39117	47.5
663.45447	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96290	0.6
56.96561	11.8
70.43431	0.5
71.04975	0.4
71.60282	0.5
71.60651	0.6
71.95269	0.9
72.96049	0.6
84.96037	1.6
85.02900	1.1
98.97579	10.0
102.19661	0.4
110.97577	1.9
112.99097	2.7
116.98611	9.2
120.76877	0.4
128.98590	3.3
131.00160	8.9
134.99625	4.2
143.00142	2.1
144.98033	0.6
145.01672	0.5
146.99666	4.7
149.01215	19.3
153.22673	0.6
157.01700	0.6
158.99652	6.2
159.03329	0.8
161.01186	3.3
165.00691	1.0
167.02293	6.1
170.99629	3.9
171.03325	0.7
172.02812	1.0
173.01239	1.4
175.02823	0.9
177.00699	10.9
177.02170	0.8
177.96426	0.4
185.01093	1.0
189.00703	8.3
189.04324	0.6
191.02234	4.6
195.01772	1.3
199.02794	2.0
200.02151	0.6
201.00722	1.3
203.02260	2.9
203.05807	0.6
207.01810	0.6
209.01277	0.7
209.03275	0.8
212.02184	0.5
213.00688	0.7
213.07985	0.6
215.02200	0.9
217.03831	3.3
219.01772	4.1
223.10078	1.6
227.02272	2.0
231.01712	1.0
233.03297	1.7
237.02847	2.9
241.11090	15.5
245.58147	0.4
249.08015	1.0
258.21277	0.4
259.12167	23.7
261.02856	2.7
267.09024	7.0
275.04370	1.6
279.03754	2.8
281.10623	1.1
282.13867	0.9
285.10074	13.0
287.05362	0.6
293.05423	9.9
297.04984	0.8
299.11743	1.7
303.11124	8.9
308.11786	0.7
309.09958	0.8
311.06473	5.7
321.04956	0.8
326.12915	0.9
327.11230	3.0
334.08374	0.6
341.12677	6.9
359.13864	4.2
361.02365	0.6
413.36893	0.5
455.10666	1.6
485.16635	0.6
503.17993	22.6
503.24423	1.2
506.19189	0.6
524.20111	1.2
665.23083	100.0
666.23413	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	663.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.97584	0.4
55.01862	0.7
55.05505	1.7
57.03429	1.5
61.02921	2.9
67.05495	7.1
67.66384	0.6
69.03430	2.1
69.07069	1.8
69.26193	4.2
69.26604	1.2
71.01344	0.5
71.04976	1.2
73.02900	2.2
79.05482	6.0
81.03391	4.6
81.07053	4.6
83.04971	1.9
83.08601	1.4
85.02917	3.2
85.06551	0.6
85.07833	0.4
87.04452	0.8
91.03951	2.2
91.05476	5.0
93.07035	5.6
95.04977	1.4
95.08593	2.4
97.02881	3.3
97.06522	0.8
97.10178	1.4
97.20955	0.5
99.04451	0.7
101.02400	1.4
105.07004	3.2
107.04954	0.8
107.08597	4.3
109.02887	1.4
109.10159	1.4
111.04465	0.5
113.71716	0.4
117.07005	1.4
119.08594	2.2
121.10123	1.3
123.08074	0.5
125.09601	0.8
127.03885	1.5
129.07018	0.7
131.08540	1.1
133.10126	1.9
135.08058	0.7
135.11658	2.9
143.08556	1.2
145.10103	1.8
147.07970	0.6
147.11699	1.5
159.11717	0.6
161.13237	0.5
163.11147	0.8
170.73720	0.5
171.11707	0.8
173.11697	0.8
189.11156	0.7
243.08418	1.6
247.13110	1.2
255.15974	0.7
277.14297	0.6
291.19522	1.4
439.19342	6.7
453.21036	1.1
465.20956	5.4
592.52948	0.6
651.00336	0.5
663.33380	100.0
664.33990	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	663.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82134	0.3
55.05517	0.6
57.03447	0.5
61.02925	0.5
67.05505	1.6
69.03436	0.3
69.07056	0.4
71.27740	0.3
71.60479	0.5
71.60858	0.4
72.08165	0.8
79.05487	1.3
81.03435	1.1
81.07065	1.5
85.02905	1.1
91.05486	1.2
93.07043	0.9
95.04995	0.5
95.08607	0.8
96.79301	0.4
97.02940	0.4
105.07008	0.7
107.08547	0.7
109.10166	0.9
121.80251	0.3
131.08588	0.5
133.10182	0.5
135.11659	0.4
184.20186	0.3
191.63805	0.4
208.14113	0.5
243.08350	0.9
255.15898	0.6
256.16238	0.5
413.17831	0.8
433.17181	0.5
445.25330	2.3
450.29190	0.5
466.28561	0.7
471.19586	0.4
494.32211	0.5
498.17590	0.6
499.18402	1.1
501.27859	2.2
526.17554	0.7
558.20007	1.0
599.20038	0.9
619.34851	0.4
620.23621	0.6
621.24524	0.5
631.22699	5.3
635.34149	0.8
663.33545	100.0
664.33813	1.7
680.12488	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01866	2.8
55.05505	16.4
57.03436	20.3
61.02942	2.7
65.03931	1.4
67.05501	45.3
69.03432	4.2
69.07054	13.4
69.50705	6.3
69.51108	2.6
71.01341	4.6
71.05000	5.8
72.08152	7.7
73.02908	1.4
79.05490	45.0
80.36407	1.3
81.03413	49.8
81.07053	30.6
83.04985	14.5
83.08617	16.7
85.02900	16.6
85.06541	3.6
91.03938	1.6
91.05476	27.8
93.07038	45.5
95.04967	20.8
95.08595	9.6
97.02871	5.5
97.06522	11.6
97.10167	10.1
99.08083	3.0
105.07028	19.1
107.04944	6.7
107.08589	31.3
109.06509	4.2
109.10169	4.8
111.04401	1.6
111.08088	10.0
115.05514	1.2
117.07046	3.8
119.08576	17.2
121.06527	2.2
121.10122	9.6
123.08051	2.6
123.11687	1.9
125.09625	2.6
129.06978	8.8
131.08563	8.1
133.06450	2.6
133.10135	11.6
135.08125	1.5
135.11681	42.3
137.09595	2.0
139.69817	1.3
142.07813	1.5
143.08630	1.5
145.10110	9.3
147.08038	2.1
147.11713	9.4
149.09634	3.9
151.11205	1.6
153.12741	1.5
157.10136	10.0
163.11188	7.2
165.12750	1.7
170.05814	1.9
175.11188	8.0
181.12215	10.8
193.12241	27.3
199.13298	3.0
211.13286	42.0
253.14606	1.1
255.15900	100.0
256.16287	2.0
267.15894	19.6
285.10101	1.5
285.16949	25.6
447.27371	39.4
448.27802	1.7
461.28778	2.6
465.28452	99.5
466.28815	2.4
493.31644	7.0
493.52094	1.3
662.32477	1.4
663.32904	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	661.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45301	0.3
55.05508	0.7
60.10162	0.3
61.02905	0.5
67.05502	1.9
68.90598	0.4
69.03436	0.6
69.07078	0.5
70.95493	0.4
71.04977	0.3
71.60257	0.7
73.02878	0.4
79.05502	1.4
81.03408	0.6
81.07050	1.8
82.07389	0.5
83.08643	0.4
85.02905	1.1
91.05473	0.8
93.07033	1.1
95.04949	0.7
95.08614	0.8
97.02875	0.5
97.13445	0.3
100.26620	0.4
105.07034	0.7
107.08601	0.8
119.08564	0.6
172.84082	0.4
183.14192	0.4
236.24135	0.4
243.08618	0.6
270.17892	0.7
339.14716	0.6
443.24039	2.9
463.30789	0.9
464.30899	3.6
471.27231	0.5
483.45358	0.5
499.26584	3.0
559.21790	0.7
599.60352	0.4
619.24304	1.8
629.22681	0.5
633.32416	1.2
661.31940	100.0
662.32404	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	660.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01860	1.3
55.05503	4.1
56.05038	0.6
57.03429	1.0
57.07072	13.6
58.06596	30.3
65.03934	0.5
67.05499	10.4
69.03410	0.4
69.07068	3.8
71.05007	0.5
71.08628	10.6
72.08156	0.6
79.05489	6.7
81.03413	28.5
81.06573	0.7
81.07048	12.6
83.04977	1.7
83.08614	9.4
85.06541	0.7
85.10178	5.6
90.93522	0.4
91.05476	7.2
93.07037	4.4
94.07355	0.7
94.91512	0.4
95.04961	7.8
95.08602	10.0
97.02869	1.0
97.06537	0.6
97.10150	2.9
99.04396	0.4
99.40199	0.4
105.07018	5.2
107.04958	2.1
107.08596	2.1
109.06506	1.3
109.10148	4.5
111.04459	0.7
111.08079	2.1
115.05447	0.8
117.07043	0.8
119.08562	5.0
121.06519	0.7
121.10132	1.8
123.08061	0.6
123.11693	1.5
129.07005	3.2
131.08565	3.0
133.06483	0.9
133.10121	2.1
135.11696	0.8
137.09641	1.4
137.13229	0.5
142.07782	1.3
145.10098	0.7
147.08067	1.1
147.11685	2.8
149.09641	1.0
149.87843	0.4
156.04208	1.9
157.10110	2.8
165.12720	0.5
175.11188	2.4
193.12213	6.5
213.12729	0.5
239.23669	2.8
249.14912	2.8
250.17981	0.6
313.27347	0.8
332.70383	0.4
385.30743	0.4
399.71301	0.4
423.86218	0.4
468.31296	0.6
491.37219	0.6
505.38840	100.0
506.39301	2.5
508.25348	0.4
517.47089	0.4
602.59546	0.4
645.82263	0.5
660.45471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08707	0.5
53.03929	1.5
55.01860	0.7
55.05504	7.1
57.03176	0.8
57.03433	8.2
57.07062	1.8
57.24869	0.5
61.02906	1.5
65.03930	0.9
67.05499	35.2
69.06716	1.0
69.07060	11.6
69.97720	0.5
71.04990	2.7
73.02901	0.9
73.15977	0.5
79.05484	20.3
81.03404	1.3
81.07049	43.3
83.04978	3.7
83.08608	9.0
85.02885	2.4
85.06546	2.8
91.03944	0.9
91.05473	9.8
93.07037	35.6
95.04976	3.3
95.08604	11.4
97.02873	1.0
97.06521	7.4
97.10137	1.5
98.20731	1.3
99.08096	1.7
104.00974	0.5
105.07022	3.8
107.04980	0.8
107.08585	20.4
109.06527	1.3
109.10152	1.9
111.08087	4.4
117.07005	4.3
119.08563	1.6
121.10133	12.6
121.11007	0.6
123.11684	2.1
131.08549	5.7
133.10110	4.6
135.08026	1.5
135.11696	5.2
139.11165	1.0
147.11664	0.7
149.13245	22.0
151.11171	0.7
155.86909	0.5
159.11674	9.5
167.14297	0.8
177.12753	3.6
195.10088	0.5
195.13800	7.6
213.14801	0.9
269.17450	54.7
270.17798	0.8
463.30511	100.0
464.30701	2.7
469.81305	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70859	0.6
53.03933	1.5
55.05511	6.6
57.03428	2.7
57.07077	1.0
61.02921	2.5
61.83305	0.6
63.14191	0.7
63.99367	0.6
65.03943	0.9
67.05499	27.2
69.07066	9.5
70.84722	1.9
71.04991	2.7
74.68629	0.6
79.05487	14.5
81.03405	2.7
81.07050	36.1
83.04973	2.9
83.08614	6.9
85.02901	2.7
85.06529	1.1
89.19331	0.6
91.03963	0.7
91.05476	12.3
91.77708	0.7
93.07038	25.3
95.04971	2.7
95.08591	12.2
97.02876	1.6
97.06532	4.0
97.10169	1.1
99.08104	1.8
105.07014	6.9
107.04946	0.9
107.08586	16.9
109.06516	1.7
109.10157	2.3
111.08089	3.0
113.05960	0.7
114.07439	0.6
117.06991	5.5
119.08574	4.0
121.06492	1.8
121.10149	7.1
123.07995	0.8
123.11688	2.1
128.92218	0.6
129.06973	1.0
131.08536	7.1
133.10109	8.1
135.08061	1.1
135.11690	5.7
141.07008	1.1
143.08582	1.3
145.10135	2.6
147.08031	1.3
147.11694	1.7
149.13240	11.7
151.11127	0.9
155.08582	0.8
157.10143	1.6
159.11667	6.3
159.12593	0.6
167.14294	0.9
168.23953	0.6
171.11676	1.2
177.12762	2.4
195.13815	6.4
213.14841	1.0
251.16394	1.5
255.96555	0.7
266.77316	0.7
269.17447	24.2
335.23654	0.9
353.24817	3.1
371.25897	1.5
389.26981	2.1
411.29510	0.8
413.21780	0.9
427.28464	1.3
435.31827	0.8
445.29526	12.5
463.30548	100.0
464.30875	1.7
481.31750	1.1
502.81888	0.7
509.60522	0.7
607.34570	3.0
640.71545	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.0
55.05506	6.0
57.03430	4.4
57.07063	1.2
61.02909	2.0
63.35003	0.8
64.74693	0.8
67.05501	25.4
69.03414	1.2
69.07065	8.6
71.04987	1.9
71.08590	0.9
71.30505	2.0
73.02881	1.2
76.36262	0.9
79.05490	14.6
80.46544	0.7
81.03403	1.7
81.07051	33.0
83.04977	1.6
83.08610	7.0
83.59186	0.8
85.02902	2.9
85.06530	2.6
91.03939	1.5
91.05472	10.7
93.07034	20.7
95.04955	2.5
95.08595	8.3
97.02879	1.7
97.06526	5.3
99.08117	1.4
105.07036	5.3
107.08591	13.1
109.06497	1.7
109.10163	1.9
111.08092	4.0
117.07005	4.8
119.08582	3.1
121.06499	1.3
121.10126	7.9
123.11710	2.1
129.06984	2.8
131.08540	7.1
133.10124	7.0
135.11707	4.4
141.06975	1.0
142.95634	0.8
143.95161	0.8
145.10100	2.3
149.13258	11.6
151.11169	1.4
155.08458	1.6
157.10139	1.7
159.11697	7.4
171.11740	1.0
177.12686	2.3
195.13765	7.0
229.14323	1.2
251.14090	0.9
251.16464	2.1
269.17453	27.6
305.40399	0.8
353.24567	2.9
371.25882	1.7
389.26886	1.5
405.79929	0.8
445.29459	15.4
463.30505	100.0
464.30869	3.9
481.31998	1.1
607.34576	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90505	0.4
53.03940	1.5
55.01861	0.9
55.05509	6.4
57.03192	0.5
57.03438	5.9
57.07066	1.0
61.02925	4.4
61.65220	0.4
65.03913	1.1
67.05502	33.7
69.03426	1.4
69.07064	12.8
71.01348	0.4
71.04992	2.6
71.60110	0.5
73.02901	1.6
76.16368	0.4
77.03902	0.4
79.05489	19.5
81.03416	2.2
81.07052	47.4
82.07439	0.6
83.04973	3.4
83.08617	9.5
83.10713	0.4
85.02899	4.6
85.06537	2.9
91.03974	2.1
91.05476	11.2
91.06000	0.9
93.07038	32.2
94.07379	0.5
95.04979	3.5
95.08601	11.9
97.02908	2.4
97.06528	5.2
97.10167	1.6
98.02193	0.4
99.04461	0.8
99.08083	1.0
105.04559	0.6
105.07026	4.3
107.04952	0.7
107.08588	18.5
109.06535	1.1
109.10141	2.1
109.55104	0.5
111.08092	4.1
113.05988	0.5
117.07002	5.2
119.08574	1.1
121.06506	1.4
121.10136	10.1
123.08153	0.6
123.11725	2.6
125.09616	0.5
127.03891	0.9
127.07605	0.7
131.08574	5.1
133.10127	7.3
135.08063	1.2
135.11667	5.1
139.11104	0.5
147.11694	0.7
149.09625	0.6
149.13255	16.4
151.11163	1.0
154.50568	0.4
157.10197	0.4
159.11678	7.4
177.12718	3.7
195.13782	8.9
213.14861	1.3
251.16360	0.9
265.12881	0.5
269.17465	48.3
270.17776	0.8
308.56589	0.4
335.25769	0.6
336.25864	0.9
339.17310	0.7
463.30527	100.0
464.30756	1.9
607.34833	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.7
55.01867	26.1
55.05509	68.9
57.03437	15.7
57.07074	3.5
58.11766	2.3
59.04996	2.7
61.02906	2.7
65.03938	5.2
67.05502	92.9
68.16382	2.4
69.03417	4.7
69.07062	49.2
70.05127	8.1
71.04996	11.3
71.08617	3.5
72.36485	2.1
72.56720	2.0
79.05488	91.9
79.99718	1.9
80.05820	3.5
81.03415	17.7
81.07049	100.0
82.07375	2.8
83.04977	30.4
83.08612	46.0
85.02889	8.3
85.06539	8.3
91.05474	72.8
91.32187	1.9
93.06464	4.7
93.07038	89.9
94.07355	2.3
95.04961	86.7
95.08603	56.1
96.05276	2.5
96.08984	2.1
97.06502	13.2
97.10161	29.5
98.21410	3.4
99.04430	14.5
99.08075	4.8
103.05440	2.7
105.04504	3.2
105.07023	80.5
107.04942	22.9
107.08591	66.8
108.08932	2.8
109.06501	22.0
109.10144	30.1
111.04430	23.8
111.08059	16.8
113.05981	4.2
115.05434	2.9
117.07015	31.2
119.08576	56.3
121.06501	15.9
121.10135	41.3
123.08060	20.3
123.11673	6.2
125.05978	4.0
125.09624	26.7
128.06209	3.9
128.93605	2.0
129.05511	3.1
129.07021	15.5
131.08565	38.7
133.06474	4.5
133.10133	39.7
135.08054	15.5
135.11688	21.7
137.09569	7.3
138.42755	2.2
139.11174	6.8
141.06969	5.3
142.07870	2.7
143.07132	1.8
143.07405	1.7
143.08499	12.4
145.06477	4.0
145.10121	44.9
147.08038	13.2
147.11687	32.2
149.02348	3.2
149.09599	40.4
149.13307	11.3
151.11172	4.8
153.09099	6.1
153.12714	7.4
155.08527	7.5
157.10104	11.6
158.81503	1.9
159.08102	4.4
159.11681	30.6
161.09628	6.6
161.13234	21.6
163.11168	43.4
163.14781	3.3
165.09047	3.7
165.12790	6.6
169.10101	7.5
171.10320	3.7
171.11665	16.6
173.09645	4.0
173.11690	5.6
173.13246	13.8
175.11159	4.3
175.14848	6.4
177.12729	7.4
179.10599	2.9
181.10100	4.5
181.12239	6.2
183.11639	7.2
183.13687	2.1
185.11801	2.8
185.13263	7.9
187.11212	6.6
187.14850	3.3
189.11224	29.8
189.12755	4.2
189.16321	2.8
191.10629	7.7
193.12257	4.3
197.13301	4.3
199.14854	5.9
201.12672	3.7
201.16347	4.2
205.12270	7.9
213.16290	3.3
223.13266	80.3
227.12680	12.5
229.14270	3.3
229.19550	4.9
231.21040	2.7
239.17918	6.4
241.19534	15.6
247.20503	4.5
257.18991	14.1
259.20572	24.3
267.15814	3.0
273.18524	12.2
274.18784	2.7
275.20038	92.7
276.20502	3.2
277.21524	3.7
291.19492	27.5
292.19702	2.8
293.21072	42.8
315.23029	4.6
331.22644	3.9
333.24228	27.8
335.25742	3.4
349.23770	30.3
351.25452	2.6
365.23212	8.4
367.24707	13.9
383.24332	6.6
513.35663	2.7
517.35059	4.6
543.36511	3.5
549.38965	6.3
561.37616	7.2
623.42700	12.8
641.44006	31.7
659.34106	16.6
659.44763	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	659.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01867	15.3
55.05256	3.0
55.05505	37.3
57.03430	7.5
57.07087	2.2
58.24738	1.4
65.03941	5.9
67.05499	65.7
69.03422	4.5
69.07063	31.4
69.07417	0.8
69.79533	10.4
71.04985	7.2
71.08624	1.7
73.06546	1.8
79.05487	56.6
81.03407	7.0
81.07050	100.0
82.07360	2.6
83.04969	15.5
83.08611	22.7
85.02905	4.5
85.06546	4.9
91.04894	1.6
91.05473	49.1
93.07039	52.6
95.04963	45.8
95.08598	44.2
97.06517	14.0
97.10171	13.5
99.04462	6.0
99.08109	4.2
103.05472	2.5
105.04511	1.6
105.07026	46.7
107.04972	12.9
107.08584	34.8
109.06515	19.1
109.10149	19.3
111.04416	11.5
111.08070	8.4
115.05495	3.0
117.07000	15.1
118.24186	1.5
119.08574	37.9
121.06508	9.8
121.10123	25.9
123.04448	1.6
123.08059	8.1
123.11721	9.5
125.05958	1.8
125.09588	11.7
127.07576	1.7
129.07013	6.4
131.08560	23.8
133.06499	2.4
133.10118	24.9
135.08073	7.1
135.11693	14.0
137.09633	5.5
139.11095	2.8
141.06969	2.5
142.07771	2.3
143.08553	6.5
145.10115	23.4
147.08061	3.8
147.11658	22.8
149.09618	20.8
149.13245	6.7
150.10025	1.5
151.11212	3.5
155.08638	2.8
157.10185	5.2
159.11682	16.3
161.13260	6.1
163.11168	19.8
163.14827	2.3
165.12794	5.4
169.10179	4.7
171.11670	4.8
173.09654	3.3
173.11885	2.2
173.13278	6.8
175.11227	3.0
175.14774	3.6
177.12727	5.4
179.14330	3.5
181.12317	1.4
183.11658	2.3
185.13251	2.0
187.11174	4.5
187.14793	2.4
189.11192	9.3
189.12688	1.8
193.12225	2.2
197.13142	2.0
199.14830	1.9
201.16487	1.7
205.12291	3.9
207.13980	1.8
215.18001	3.0
220.56725	1.6
223.13260	30.8
227.12758	2.3
229.19565	4.2
239.17863	3.2
247.20622	4.0
257.18982	11.1
259.20749	2.7
267.15915	2.1
269.17453	4.2
273.18393	2.9
275.20053	82.7
276.20459	3.2
277.21561	2.5
291.19565	7.0
293.21063	29.3
329.14130	2.1
349.23706	35.0
365.23184	2.3
366.42108	1.7
367.24728	13.9
463.30768	2.5
515.33417	2.0
543.36627	3.6
544.10297	1.9
546.32874	1.9
561.37469	3.3
623.43146	8.8
641.44354	17.3
659.45056	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	7.4
55.01863	10.8
55.05508	30.9
57.03432	24.4
57.07061	3.7
57.25111	2.6
59.91247	1.9
65.03947	6.2
66.17202	2.0
67.05499	98.1
69.03421	2.9
69.07066	25.0
69.64946	1.9
71.01369	3.1
71.04988	4.2
72.08131	6.4
72.67469	2.0
74.03285	2.4
79.05489	68.0
81.03422	12.0
81.06572	4.5
81.07049	69.3
83.04992	17.9
83.08598	11.4
85.06520	4.5
91.05473	56.2
93.07036	69.7
95.04961	40.5
95.08604	54.3
97.02892	3.0
97.06516	8.8
97.10152	6.3
98.20735	7.0
98.98474	3.1
103.05431	2.5
105.07020	46.3
107.04954	42.6
107.08574	27.3
109.06522	13.6
109.10144	28.5
111.04413	4.5
111.08081	4.7
112.05153	2.8
113.05992	4.5
115.05477	2.6
117.07000	23.0
119.04972	4.2
119.08582	26.1
121.06481	11.5
121.10138	20.7
122.07298	12.0
123.08065	8.0
123.11669	5.4
125.05993	2.7
125.09631	4.8
128.06221	7.2
129.07010	11.0
131.08568	31.2
133.06522	14.8
133.10130	17.3
135.04382	2.7
135.08038	6.7
135.11653	14.3
137.09602	7.1
141.06932	4.9
143.08562	10.3
145.06491	11.5
145.10120	13.5
147.08028	23.8
147.11644	12.0
149.09636	7.6
149.13257	8.2
151.11212	2.8
155.08539	4.7
157.10129	6.6
159.08040	5.4
159.11702	10.4
161.09587	14.0
161.13249	6.1
163.07587	2.3
163.11209	5.8
163.14757	2.5
165.09106	3.2
169.10178	3.7
170.05766	4.9
171.11653	4.2
173.09631	5.3
173.13304	5.6
175.11179	5.8
177.12743	5.5
185.13258	3.8
187.11240	3.3
187.14809	5.5
191.10466	2.5
197.13191	3.1
203.14294	3.7
205.15948	4.5
215.14238	5.1
233.15364	11.1
251.16376	4.0
261.14865	3.9
261.18304	4.7
261.22067	5.2
263.16415	3.0
271.17001	4.0
273.18414	9.3
289.17990	10.3
290.18713	9.2
291.19516	3.5
307.18921	4.0
325.20099	4.1
335.25772	100.0
347.22037	3.2
363.21478	5.2
381.22638	16.8
445.77023	3.6
487.37677	2.6
491.37204	9.8
567.40167	6.7
595.39758	15.6
623.42883	2.9
641.44177	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	659.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.9
55.01871	7.1
55.05512	13.9
57.03433	26.1
57.07073	7.6
58.06602	1.9
59.04986	1.5
61.02924	87.9
65.03929	2.0
67.05501	50.1
69.03428	36.3
69.07066	13.4
70.06584	15.3
71.01344	3.7
71.04997	8.7
71.08631	3.2
71.19413	1.4
71.90754	1.3
72.56905	1.4
73.02917	28.4
79.05051	2.7
79.05492	38.4
79.05958	2.6
81.03417	22.5
81.07053	52.0
83.04971	6.2
83.08631	8.0
85.02900	99.6
87.04471	3.9
88.07618	20.6
89.07962	2.4
91.03952	56.9
91.05470	20.5
93.07038	39.1
95.04983	9.4
95.08607	41.0
97.02886	77.1
97.06548	4.9
97.10153	4.3
97.90978	1.6
99.04450	12.5
99.08102	2.6
101.02391	9.2
102.09162	13.2
103.03932	11.0
105.07025	19.2
107.04973	2.6
107.08582	21.5
109.02889	13.3
109.06498	3.6
109.10142	19.3
111.04452	3.7
111.08099	2.6
113.05988	1.9
115.03930	6.0
117.05462	2.2
117.07007	7.7
119.08574	14.1
119.77697	1.4
121.10136	19.3
123.11704	8.8
125.09650	1.7
127.03905	34.4
129.05487	5.1
129.07002	3.8
131.08556	13.9
133.10114	12.7
135.08107	1.4
135.11671	11.1
137.09592	2.2
137.13286	2.8
143.08549	1.8
145.04967	18.2
145.10118	13.9
147.11679	9.0
149.02330	31.1
149.03453	2.6
149.09615	2.7
149.13261	6.7
150.02718	7.7
151.11197	1.6
153.12721	1.6
155.07219	1.7
157.10149	2.3
159.06540	5.4
159.11703	10.0
161.13297	6.3
163.05984	3.8
163.11206	3.4
163.14833	4.8
171.06520	2.0
171.11662	1.7
173.13306	7.9
175.03999	2.0
175.14893	2.7
183.06528	10.3
183.11603	1.9
185.13264	3.8
187.14798	4.5
191.14307	2.2
193.04961	33.3
194.05301	13.6
199.14807	1.8
201.07545	9.2
201.12848	1.6
201.90477	1.7
204.18910	1.9
209.13335	1.6
210.94646	1.4
211.70198	1.5
219.08624	1.4
223.13264	2.4
229.82895	2.3
233.22670	1.5
237.07530	8.1
238.07950	5.4
241.19589	1.4
243.21211	3.8
256.26337	26.6
256.33759	1.5
257.26639	24.0
259.20633	4.0
261.22131	17.0
269.17490	3.3
275.20041	3.8
277.21677	1.6
291.19727	1.7
293.21173	2.1
297.03961	2.1
303.23175	2.4
315.23260	2.1
335.25784	79.2
336.25961	1.9
339.82196	1.5
341.06598	5.5
342.07022	5.7
360.07761	2.0
363.25488	3.0
377.27109	2.3
385.09280	8.3
386.09610	12.9
405.26404	1.8
410.56985	1.9
429.11734	15.1
430.12192	16.2
443.27707	2.7
461.28915	2.8
463.30597	2.8
479.30200	5.9
522.25812	1.6
559.24799	1.8
641.34961	2.4
659.36121	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	659.2346
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
53.03944	2.7
55.01870	5.8
55.05509	12.8
57.03420	2.5
57.07070	2.2
58.02134	1.1
62.86982	1.1
65.03927	2.0
67.05501	29.7
69.03415	2.5
69.07066	13.1
71.04991	3.3
79.05489	20.1
79.31241	1.2
81.03407	4.0
81.07053	39.6
83.04970	4.3
83.08604	10.3
85.02884	2.0
85.06538	1.6
91.05470	21.5
93.07040	18.6
95.04967	11.3
95.08601	17.5
97.06512	7.4
97.10140	2.9
99.08085	1.9
105.07027	18.3
105.90800	1.1
107.04953	7.9
107.08599	14.9
107.58776	1.1
108.08951	1.4
109.06522	6.0
109.10145	10.2
111.04410	1.8
113.05999	1.1
117.07004	4.4
119.08575	14.3
121.06519	2.6
121.10133	9.4
123.08065	3.7
123.11701	3.7
123.42955	1.2
125.06020	1.4
125.09634	3.6
129.06995	3.4
130.07622	1.2
131.08589	9.1
133.10115	10.5
135.08006	2.2
135.11679	4.7
137.09628	3.3
139.11169	1.3
145.10110	11.5
147.11694	8.8
149.09602	8.4
149.13263	2.5
151.11183	2.3
157.10072	2.5
159.11673	6.1
161.13292	3.1
163.11174	7.1
165.12727	2.6
169.10127	2.1
171.11737	1.8
173.13252	3.4
175.11188	2.1
176.57367	1.1
177.12753	2.3
193.12154	1.3
197.13249	1.6
223.13295	3.9
229.14362	1.3
229.19637	1.3
239.17871	1.8
241.19315	1.7
252.90836	1.3
257.19031	3.9
273.18405	2.4
275.20044	29.3
291.19650	3.6
292.19855	1.9
293.21112	8.2
317.95114	1.5
332.57938	1.1
333.24268	1.3
338.09296	1.1
349.23688	15.2
367.24838	5.4
399.14377	3.8
400.15234	8.1
410.14178	1.7
412.15485	1.5
413.16190	3.2
414.16614	2.4
421.12946	2.1
422.13715	5.3
423.14673	4.8
424.15561	2.3
428.17416	1.5
429.19031	4.7
435.14343	3.2
436.15472	6.0
437.16101	12.1
438.16956	2.1
441.15140	2.4
442.16516	1.8
450.16888	3.4
451.18063	3.6
452.18536	2.3
453.15521	2.1
455.17456	1.6
456.17542	2.3
464.14981	3.5
465.14465	6.6
467.17319	2.6
469.14822	1.8
477.15051	1.8
478.16162	4.3
479.17099	5.4
480.17981	5.2
481.19101	1.8
482.14954	1.3
483.16507	4.5
484.17090	4.9
493.19131	10.4
494.14893	2.2
495.15948	2.6
496.17136	2.7
498.15311	4.5
507.16248	2.6
508.17505	8.9
509.18399	6.8
510.15158	1.6
511.19614	2.4
511.69446	1.3
512.16571	10.5
513.17712	1.2
516.23511	1.4
521.18243	11.8
522.14874	4.3
524.16791	1.4
526.14886	2.0
539.19098	3.5
540.19092	4.0
543.22296	2.9
543.36823	1.5
548.73560	1.3
553.20856	21.9
554.20471	2.2
561.37396	2.4
571.21893	5.8
572.21887	5.2
581.20245	47.5
582.20294	2.5
599.21155	27.9
600.21234	4.6
609.20306	1.9
613.22937	24.0
614.23132	1.7
622.22485	3.7
623.42712	3.1
627.20856	2.2
631.23950	5.8
641.22443	100.0
641.44019	6.5
642.23096	5.9
659.23401	33.8
659.45886	2.5
660.23840	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	658.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41506	1.0
53.03928	3.1
55.01862	3.3
55.05509	11.1
57.03433	7.6
59.04975	1.2
61.02905	2.3
67.05499	35.9
68.05849	1.6
69.03435	1.6
69.07056	11.9
71.01361	2.2
71.04974	4.1
79.05488	36.7
80.74124	0.9
81.03411	7.1
81.07052	28.0
83.04542	1.1
83.04967	7.6
83.08603	4.5
85.02891	4.0
85.06526	2.7
91.05470	26.9
92.05781	1.1
93.06466	2.2
93.07034	37.9
94.07351	1.7
95.04953	8.9
95.08604	11.4
97.02870	2.9
97.06504	7.5
97.10168	6.1
99.08058	1.3
103.27824	1.1
105.07032	15.5
107.04952	4.0
107.08591	16.7
109.06501	4.0
109.10144	4.8
111.08057	2.2
117.07010	5.4
119.08569	10.3
120.70115	1.1
121.10143	6.9
123.08084	2.1
128.06207	1.3
129.06993	6.6
131.08572	4.7
133.10135	7.8
135.11678	15.4
139.11125	1.2
141.83919	1.2
143.08539	4.4
145.10097	7.7
147.11664	13.9
149.09586	1.6
159.11700	1.9
161.13286	3.0
163.11157	3.2
171.11630	7.8
181.12221	3.7
183.11598	1.1
187.14819	1.1
189.12746	3.6
193.12314	1.5
199.28603	1.1
203.12738	2.6
207.13748	6.4
223.63246	1.2
255.15878	25.1
267.15872	2.6
269.17480	2.4
275.20166	1.1
276.20358	1.3
281.17419	16.6
289.92505	1.2
292.19714	1.9
349.23575	1.5
364.67273	1.1
387.25085	1.3
399.72095	1.1
412.19705	1.1
443.27994	2.1
461.28973	100.0
462.29449	1.6
479.29932	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77299	15.6
53.12970	11.9
67.05499	28.0
69.07074	15.5
79.05471	27.3
81.07044	41.4
83.58753	14.6
89.06074	12.7
90.44691	12.6
91.05425	14.5
95.08593	16.2
98.98469	25.2
124.85124	13.4
155.01039	23.5
177.12798	18.0
251.16368	18.6
269.17490	17.9
311.25708	21.2
418.08667	15.1
511.43149	14.0
659.22906	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	657.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.2
55.01869	17.3
55.05261	2.7
55.05510	39.3
57.03440	18.1
57.07065	4.1
65.03926	7.0
67.05502	86.4
69.03433	9.2
69.06713	2.6
69.07067	35.9
69.07443	2.0
71.04977	6.8
72.39094	1.5
77.03880	1.5
79.05489	80.1
81.03422	14.1
81.07052	100.0
83.04976	13.7
83.08624	16.8
85.02872	2.2
85.06538	8.0
91.05477	77.7
93.07040	70.3
95.01321	4.1
95.04364	1.9
95.04965	40.4
95.08609	53.1
97.02870	5.2
97.06533	20.5
97.10163	15.5
99.08064	2.7
103.05453	2.4
105.04500	3.3
105.07027	66.5
107.04955	29.4
107.08591	45.4
109.06512	30.2
109.10149	25.3
111.04457	3.1
111.08100	7.0
112.05225	1.5
113.06012	10.1
115.05435	5.8
117.07012	28.3
119.04952	3.8
119.08575	48.2
121.06520	11.0
121.10139	21.9
123.04413	3.3
123.08056	10.4
123.11703	5.0
125.05999	2.4
125.09600	15.6
128.06200	6.7
129.05504	2.1
129.07008	20.6
130.07768	4.4
131.04948	1.4
131.08556	41.6
133.06528	9.4
133.10135	35.9
135.08046	20.2
135.11708	17.5
137.06033	1.8
137.09608	7.2
139.07568	1.9
141.07004	7.3
142.07756	4.4
143.08559	20.1
144.09447	1.6
145.06502	8.4
145.10120	31.7
147.08040	15.8
147.11681	17.5
148.08818	1.8
149.06029	1.8
149.09615	16.6
149.13234	9.2
151.07526	1.9
151.11169	6.3
153.07027	1.9
153.09082	2.9
155.08524	8.4
156.09331	2.2
157.06482	2.4
157.10124	13.4
159.08060	5.8
159.11679	22.2
161.09656	10.4
161.13255	8.2
163.11189	7.9
165.09093	2.2
165.12740	3.2
167.08560	4.5
169.10098	8.9
171.11665	11.8
172.30775	1.5
173.09624	4.9
173.11865	2.7
173.13243	7.4
175.11249	6.9
175.14774	4.9
177.12726	7.3
179.08453	1.9
179.14316	3.4
181.10118	6.6
183.11685	8.3
185.09662	2.4
185.13210	7.9
187.11189	6.5
187.13231	2.0
187.14816	3.6
189.11195	5.1
189.12788	4.1
191.14305	1.6
193.10178	1.9
193.12129	1.5
195.11673	5.1
195.13756	3.8
197.13306	4.6
199.11128	3.1
199.14830	4.8
201.12788	3.1
201.16306	3.2
203.14348	3.8
205.10228	2.6
205.12321	3.2
209.13229	4.0
211.14848	3.6
213.16476	3.4
215.14337	2.4
215.17854	2.1
217.15942	4.6
219.13831	1.9
221.13316	2.0
223.13272	5.6
227.12755	9.8
227.17940	1.9
229.14247	1.9
229.19464	2.1
229.32169	2.0
233.15437	2.4
235.14876	1.8
237.16493	2.6
239.17940	3.7
241.14337	5.5
241.19641	3.8
245.13768	1.4
245.18970	3.4
247.20461	5.0
253.14325	4.2
253.17996	1.6
255.17383	1.7
257.18964	8.4
259.20566	4.1
260.84265	1.6
263.20422	1.9
267.15802	1.6
273.15457	2.0
273.18442	26.0
275.20059	46.0
277.21518	2.3
279.15854	10.1
290.18582	1.5
291.19540	77.9
292.19891	1.7
293.20984	5.2
301.21765	1.6
309.20892	1.7
315.23343	1.9
325.25082	2.4
329.21069	1.9
331.22693	2.6
333.24210	6.9
347.21927	7.0
349.23752	23.0
365.23334	15.9
381.22635	5.5
440.15070	2.2
441.15463	2.2
452.25592	1.7
454.16660	1.8
481.14893	2.1
482.15436	2.2
483.16248	2.0
486.15927	1.9
495.15475	1.5
510.15131	1.7
511.15927	5.8
523.15924	4.0
524.16730	2.5
543.35919	1.7
547.38263	1.7
559.35974	4.7
561.25269	2.4
565.38745	3.1
581.38727	2.4
583.39832	5.3
593.37689	1.9
597.19489	5.1
605.41711	3.2
607.25214	3.2
615.20862	3.1
621.26532	4.6
621.41168	5.8
623.42981	6.8
629.21826	2.3
639.27271	1.7
639.31622	2.7
639.42499	40.0
640.43439	2.6
657.21832	33.6
657.43616	47.5
658.22272	18.4
658.43744	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	657.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
53.03938	8.1
55.01871	18.5
55.05257	3.0
55.05509	37.0
57.03431	24.3
57.07065	3.6
57.62615	1.4
65.03936	5.2
67.05500	95.1
69.03423	7.8
69.06711	2.8
69.07066	38.0
71.04442	1.8
71.05021	7.6
71.08611	2.4
72.08148	5.2
79.05488	70.3
81.03416	13.8
81.07053	94.1
83.04977	13.1
83.08608	18.6
85.06546	8.3
91.05479	66.1
93.07040	63.1
95.04964	43.6
95.08602	49.3
97.02898	4.6
97.06521	15.5
97.10168	11.9
99.04431	1.8
99.08091	3.1
103.05475	2.6
105.04465	1.9
105.07023	57.7
107.04956	30.6
107.08593	45.2
109.06509	42.8
109.10150	26.5
109.32929	1.6
111.04429	3.0
111.08087	8.1
113.06009	20.2
115.05445	3.9
117.07021	30.7
119.04951	3.0
119.08575	42.2
120.08930	1.4
121.06499	11.7
121.10143	22.6
123.04424	3.5
123.08055	14.7
123.11701	6.3
125.09599	13.5
128.06204	4.9
129.07007	16.0
130.07800	1.8
131.04930	2.9
131.08560	34.3
133.06485	7.1
133.10129	30.0
135.08046	26.9
135.11688	15.1
137.09607	6.3
139.11177	2.5
141.06966	6.4
142.07713	3.8
143.08563	17.7
145.06461	7.9
145.10110	29.6
147.08037	11.9
147.11682	19.5
149.02274	2.0
149.09625	17.9
149.13268	6.8
151.07549	2.1
151.11203	3.6
155.08516	6.6
156.09315	1.7
157.06435	2.6
157.10106	12.6
159.08054	5.4
159.11676	23.6
161.09621	12.7
161.13251	8.0
163.11143	10.8
163.14706	2.1
165.09172	3.8
165.12732	3.1
167.08582	4.3
169.10094	9.0
171.11713	12.5
173.09680	4.3
173.11993	1.9
173.13240	10.4
175.11137	8.5
175.14784	3.2
177.09038	1.8
177.12732	7.3
179.08514	2.4
179.14346	4.2
181.10110	4.6
183.11688	6.6
185.09625	1.7
185.11755	1.9
185.13277	6.0
187.11169	6.6
187.14798	3.4
189.11217	4.5
189.12729	3.6
193.12311	2.3
195.11836	2.7
195.13832	2.5
197.13235	5.4
199.14845	5.4
201.12741	4.1
201.16353	2.0
203.14354	2.3
205.12198	4.3
207.11761	3.1
209.13268	4.5
211.11052	1.6
211.14824	1.9
213.12543	1.8
213.16370	1.6
215.14328	1.9
215.18005	3.0
217.15913	7.1
221.13147	2.1
223.13281	7.1
223.15221	1.9
227.12666	9.7
227.17906	3.0
229.98509	1.9
233.15297	2.6
233.26678	1.5
239.18024	3.6
241.14365	3.6
241.19638	2.7
245.13638	1.7
245.19034	3.2
247.20583	4.6
257.18985	8.0
259.20615	4.7
267.15784	1.8
273.18491	31.1
274.18921	2.1
275.15433	1.8
275.20074	48.6
277.21567	2.4
279.15930	7.3
291.19525	100.0
293.21069	5.1
327.23236	2.2
333.24203	6.4
347.22049	9.7
349.23724	20.8
365.23242	16.5
367.25006	1.7
371.25912	1.6
381.22763	4.3
435.28928	1.9
513.37054	1.8
527.33948	2.0
535.33380	1.7
541.34802	2.4
547.37518	3.1
559.36316	6.9
565.39136	2.8
583.40295	2.4
593.38251	2.5
611.39551	2.7
621.41241	6.7
621.51172	1.9
623.42767	4.6
639.26971	2.1
639.42499	47.2
657.43628	37.8
681.60785	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	657.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.6
55.01865	4.3
55.05265	1.6
55.05508	22.7
56.46264	1.8
57.01710	1.6
57.03438	10.1
59.04996	2.8
65.03928	6.3
67.05499	71.0
69.03414	7.2
69.06721	1.6
69.07066	18.5
69.34112	1.4
71.01344	2.5
71.04990	22.3
71.08627	1.8
71.60422	2.5
79.05489	47.0
81.03419	26.1
81.03901	2.2
81.07052	100.0
83.04978	28.5
83.08619	13.1
85.02886	7.3
85.06544	9.8
87.59802	1.6
91.05475	37.7
93.07037	44.2
95.04969	16.0
95.08610	21.3
97.02871	5.0
97.06528	13.2
97.10135	4.7
99.04388	1.9
99.08122	3.6
105.07030	21.0
107.04955	7.2
107.08591	32.8
109.02878	4.2
109.06484	11.1
109.10155	17.7
111.04421	6.1
111.08077	6.7
113.05961	3.5
117.07043	11.0
119.08566	14.2
121.06476	5.5
121.10130	16.0
123.04472	2.1
123.08067	6.4
123.11684	9.5
125.09645	4.0
127.03912	6.1
129.05438	8.0
129.06979	3.2
130.07802	2.0
131.08562	13.2
133.10109	19.3
135.08044	5.2
135.11703	7.8
138.73328	2.0
139.11169	2.0
143.08559	3.4
145.10112	7.3
147.07974	3.1
147.11699	9.1
149.09624	5.6
149.13271	20.0
151.11200	8.6
155.08540	2.1
157.10118	4.6
159.11685	13.6
161.09682	2.5
161.13226	3.1
163.11211	3.4
165.12724	2.1
171.11639	2.2
173.04420	5.2
173.09650	2.1
173.11807	3.5
175.11147	3.1
177.12721	7.6
179.14432	1.7
183.13841	2.7
185.13254	1.8
187.11348	1.8
187.13303	6.6
189.11172	3.3
193.12309	3.6
195.13736	8.8
213.14912	2.4
225.14818	3.6
227.12700	2.2
229.14301	3.5
253.17786	2.5
267.16019	4.6
269.17487	21.8
273.18460	8.5
275.20108	10.3
283.91534	1.7
291.19485	11.8
293.21091	2.0
297.16714	1.9
299.18494	2.7
339.18161	2.8
347.21884	2.7
349.23404	5.1
365.23151	3.0
423.27991	2.4
427.23148	2.2
437.28976	35.4
445.24133	4.1
451.30475	3.6
463.30545	50.1
483.21741	1.8
495.33548	10.1
559.35773	3.9
583.41614	2.1
607.34344	5.7
621.41125	2.5
639.35608	11.1
657.28101	4.1
657.42535	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	657.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20164	10.1
74.84280	2.4
80.83163	2.0
86.72638	2.2
87.24805	2.0
99.85300	2.4
104.35319	2.2
110.58701	2.3
111.19874	2.5
132.88409	2.0
228.90625	2.2
236.11620	2.4
237.92372	2.2
273.13770	2.7
292.87717	2.0
313.98785	2.4
352.18002	2.7
377.17731	4.8
379.19342	6.1
381.20868	5.3
391.19464	4.7
392.20316	4.3
393.16879	4.5
393.21353	3.0
405.21048	4.8
407.18143	3.9
407.22748	3.7
409.20163	5.3
421.19998	6.7
422.20575	4.9
423.21857	26.6
434.21143	3.5
435.22150	11.2
436.22421	6.4
437.23584	6.1
450.24289	4.9
451.21213	6.1
452.22089	2.9
453.22916	2.6
454.19940	6.7
461.23257	8.1
464.22549	2.5
465.23126	4.2
466.23257	3.2
467.24600	5.1
468.24628	4.2
477.22729	8.8
478.23608	4.7
479.24771	4.1
481.22180	6.2
493.22598	7.8
494.26624	4.3
495.23569	14.2
496.24417	5.2
507.24210	4.0
508.24750	17.6
509.25766	13.0
510.26364	16.7
511.27124	14.6
521.25220	7.8
522.25464	2.7
523.23126	6.0
526.28467	4.1
537.24963	25.4
538.25574	11.1
549.24420	3.1
553.28650	12.3
555.25732	4.0
565.24261	5.7
570.27899	5.0
581.27374	25.7
582.24390	2.7
583.25323	10.0
597.27142	63.1
598.28082	10.3
613.30157	74.4
625.26514	100.0
626.26019	2.6
657.29346	6.8
657.43176	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	657.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01859	8.8
55.05259	1.9
55.05507	21.7
56.73230	1.6
57.03433	23.2
57.07070	2.7
61.02924	75.4
65.03944	4.0
66.47427	1.5
67.05164	3.0
67.05502	50.3
69.03428	36.9
69.07072	14.5
70.19586	5.3
70.19996	3.9
71.01344	5.6
71.05003	8.6
73.02915	33.7
79.05054	3.1
79.05496	45.5
81.03413	37.2
81.07050	50.4
83.01331	1.8
83.04983	11.3
83.08609	11.9
83.73788	1.5
85.02900	100.0
85.06532	4.8
87.04456	6.4
91.03949	53.0
91.05475	51.4
93.07037	54.8
95.04967	14.5
95.08598	25.7
97.02888	70.9
97.06533	6.4
97.10177	5.9
97.31322	1.4
99.04440	12.2
99.08083	3.0
101.02365	7.3
103.03971	8.8
103.05482	2.2
103.97568	1.8
105.07023	52.7
107.04951	6.5
107.08595	27.4
107.09312	3.1
109.02885	13.9
109.06501	6.9
109.10157	17.2
111.04443	7.1
111.08040	4.9
115.03915	7.4
117.05562	1.9
117.07021	21.1
119.04919	2.3
119.08575	35.7
121.06518	4.4
121.10145	20.3
123.04443	4.1
123.08072	6.3
123.11695	6.0
125.09607	4.4
127.03922	29.2
127.07584	2.1
128.06238	3.4
129.05492	4.6
129.07002	17.7
131.04945	2.4
131.08574	28.9
133.06482	3.8
133.10121	25.2
135.08069	3.9
135.11707	17.3
137.05956	2.8
137.09630	4.3
139.07509	2.0
141.06996	4.8
142.07756	2.3
143.08563	13.9
145.04961	16.6
145.06430	3.5
145.10112	22.1
147.04457	2.7
147.08018	4.2
147.11671	28.5
149.09599	6.4
149.13261	9.3
151.11148	2.8
155.08542	6.4
157.10129	12.7
159.11691	20.5
161.09631	4.1
161.13251	12.0
163.06023	5.5
163.11197	4.8
165.07001	2.7
165.12794	3.2
167.08575	3.0
169.10130	7.2
171.11679	13.8
173.04465	3.7
173.09662	4.1
173.11847	2.7
173.13173	10.3
175.11162	4.4
175.14766	3.0
177.09261	2.7
179.08624	1.8
181.10117	4.7
183.06537	3.3
183.11661	6.4
185.09714	3.5
185.13254	7.1
187.11163	2.5
187.13293	1.6
187.14841	5.3
193.10219	2.6
193.12234	4.7
195.11748	2.0
197.09520	2.0
197.13220	5.7
199.11217	3.0
199.14790	4.4
201.07617	3.0
201.12854	2.0
207.11636	2.6
211.11134	1.6
211.13248	2.1
227.12631	1.9
229.14383	3.1
231.21162	2.0
239.18146	1.8
241.19522	11.1
241.96722	1.8
257.19107	3.8
259.20575	22.1
267.15903	18.9
271.20569	3.2
273.22272	2.8
275.20096	4.0
277.21750	4.1
283.20370	3.9
285.16928	5.2
287.19785	2.0
289.21695	2.2
295.20450	1.7
297.22134	2.1
301.21561	6.8
313.21762	4.2
315.23105	2.2
317.20865	1.9
321.22083	1.8
325.21762	4.5
331.22507	2.0
333.24258	38.6
337.21707	1.9
339.23059	1.9
343.22516	3.7
345.24243	2.5
349.21390	3.4
357.24252	4.0
359.21930	1.7
363.25162	2.1
367.22592	9.5
375.25327	7.8
385.23648	4.9
399.25159	2.1
403.24820	4.0
411.25388	1.9
417.26297	3.5
423.27185	3.0
429.26208	3.4
441.26312	17.3
442.26505	1.9
455.67551	1.8
459.27530	14.4
460.28000	2.2
477.28467	21.4
495.29416	14.9
519.30042	2.8
585.30261	2.8
657.34283	9.2
657.43469	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	657.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46879	0.9
64.63933	0.9
66.68285	1.0
71.08613	0.9
73.59673	0.9
82.36556	0.8
120.08044	0.9
173.10680	1.0
197.10638	1.0
205.69029	1.0
209.10738	1.5
221.10696	1.5
223.12383	1.1
234.11473	1.2
235.12265	1.2
247.12373	1.3
249.13930	1.9
261.13812	1.8
262.13492	1.4
263.11749	1.4
273.13687	2.2
275.15506	1.3
277.13248	1.4
287.15375	1.3
288.16028	1.6
300.14871	1.2
306.34671	1.1
313.15540	1.1
314.16556	1.2
337.15668	1.4
338.16275	1.5
339.17163	1.0
340.18106	1.9
351.16809	1.9
352.18076	1.5
362.15750	1.1
363.16315	1.8
364.18118	1.2
365.17923	1.8
366.18802	1.2
376.17209	1.9
377.17709	2.5
378.19147	1.3
379.19098	3.6
381.20874	1.4
391.19174	3.3
392.20425	2.3
393.20959	2.5
394.18094	1.6
395.18311	1.8
404.16296	1.3
405.20819	3.6
406.22217	1.7
407.17838	4.9
407.22546	3.7
408.19470	3.8
409.20044	5.5
416.17218	1.2
417.17279	1.6
419.18329	2.2
421.19797	6.8
422.20932	3.3
423.21939	17.5
424.22449	1.8
426.22034	1.2
431.18787	1.6
433.20493	1.8
434.21124	1.3
435.22144	9.6
436.22473	3.1
437.23590	2.9
446.20950	1.8
449.24149	4.4
450.24695	1.7
451.20660	6.7
452.22519	1.9
454.20035	6.3
456.22803	1.9
461.23682	8.7
462.20999	3.2
463.21225	3.1
464.22296	1.3
465.22638	3.9
466.23874	1.6
467.24298	3.7
468.24829	2.2
476.22110	3.0
477.23077	6.5
478.23428	3.9
479.25217	6.7
480.22107	1.2
481.22025	3.6
491.20724	1.6
493.21567	8.5
494.27106	6.6
495.23462	13.8
496.24680	6.0
504.22717	1.4
505.22159	1.3
507.23468	1.1
508.24814	13.9
509.25778	9.3
510.26392	11.2
511.27133	15.5
516.25122	1.8
519.24084	2.9
521.25464	7.1
522.25787	2.7
523.22870	5.0
525.28339	3.8
526.29108	2.5
537.24988	21.7
538.25598	12.7
549.24640	1.2
551.22754	2.7
553.28461	14.8
555.25806	2.3
565.24390	4.7
566.24591	1.6
570.28204	7.6
581.27515	29.5
582.26025	2.9
583.25641	5.9
595.28491	1.2
596.27722	1.8
597.27075	60.9
598.27594	12.1
607.24622	2.2
613.30200	79.8
614.30408	3.7
625.26532	100.0
626.26752	5.1
657.29370	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	656.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54680	1.5
53.03937	2.0
55.01854	2.9
55.05506	19.5
57.03424	2.3
59.04970	1.4
61.02913	2.6
67.05169	1.8
67.05498	21.9
69.03412	4.1
69.07070	6.3
70.34599	2.6
70.34949	2.6
71.04975	4.0
79.05492	18.9
80.05805	1.5
81.03428	7.2
81.07056	19.1
81.30757	1.2
82.03754	1.3
83.04958	3.5
83.08614	13.2
85.02893	3.8
90.53951	1.3
91.05479	17.6
93.07042	12.7
95.04939	3.0
95.08586	7.3
97.02863	3.4
97.06494	2.1
97.10164	27.4
99.08096	1.3
103.05461	7.3
105.07022	16.1
106.07337	2.1
107.04925	3.8
107.08581	12.6
109.06518	2.5
109.10125	6.1
111.08058	3.1
115.05441	3.7
117.07007	30.0
118.01534	1.2
119.08593	8.6
121.10153	2.6
123.11636	1.6
125.09616	19.3
127.03896	1.4
128.06192	1.7
129.06993	11.5
131.05013	1.5
131.08560	17.7
133.06476	5.1
133.10100	5.1
135.08025	4.1
135.11681	1.5
141.06960	4.8
143.08600	5.9
145.06464	8.6
145.10085	6.2
147.08040	2.6
147.11665	3.2
149.09618	3.4
153.09102	2.7
155.08513	7.9
157.06410	1.5
157.10080	4.5
159.08012	3.1
159.11655	2.6
163.11139	1.4
167.08482	2.2
169.10133	5.1
171.08058	2.9
171.11671	3.4
181.10074	2.4
185.13226	1.9
187.14786	7.9
189.11230	8.9
197.13274	8.7
199.11128	1.7
205.10114	1.4
209.13211	2.3
213.12737	2.6
215.14284	31.9
227.12755	18.6
233.15424	1.9
235.14786	1.7
237.12758	2.1
241.12296	1.7
245.13690	1.5
267.15799	1.5
271.16879	2.9
339.23438	1.8
343.17419	1.4
349.21655	5.9
367.22620	15.6
385.23645	7.7
403.24640	3.9
441.26282	51.7
450.29169	2.3
459.27347	100.0
460.27612	1.9
462.29520	1.3
467.36313	1.5
477.28430	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	655.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.2
53.03946	5.6
55.01875	10.3
55.05509	38.5
57.03432	3.9
57.07072	23.7
59.04995	1.3
65.03936	4.0
67.05499	42.9
69.03425	9.8
69.06716	1.6
69.07064	25.4
71.04993	8.6
71.59876	1.3
74.33044	1.0
77.03913	1.4
79.05114	0.9
79.05483	39.3
81.03415	9.0
81.07052	44.7
83.04977	100.0
83.08606	9.0
84.05299	1.8
85.02901	1.1
85.06538	2.1
91.05475	42.4
93.07036	31.7
95.04961	14.7
95.08037	1.8
95.08602	22.2
97.02885	6.2
97.06522	6.2
97.10182	8.6
98.98444	5.0
103.05451	2.4
105.04491	1.0
105.07022	32.4
107.04943	9.6
107.08589	19.6
109.02865	2.3
109.06512	9.2
109.10148	12.8
111.04428	2.3
111.08078	4.1
111.99141	0.9
115.05450	3.5
117.07005	12.2
119.04916	1.4
119.08578	21.0
121.06507	6.5
121.10141	11.4
123.04408	2.3
123.08086	6.0
123.11727	3.3
125.09648	5.7
128.06206	9.7
129.06996	19.8
130.07779	1.6
131.04955	1.2
131.08548	15.1
133.06496	7.7
133.10115	21.4
135.08029	7.4
135.11650	5.4
137.06000	1.5
137.09598	3.1
141.06993	4.2
143.08517	7.4
145.06490	4.2
145.10117	13.9
147.08041	15.8
147.10594	0.7
147.11670	18.8
148.12079	1.3
149.09607	6.8
149.13278	2.6
151.01523	2.3
151.11165	6.9
153.06996	1.1
155.08601	3.2
157.06429	1.2
157.07613	3.0
157.10060	5.4
159.08041	4.9
159.11629	5.3
161.09612	6.6
161.13263	3.5
163.07565	1.6
163.11185	2.5
165.09111	2.0
167.08571	1.6
169.10176	2.5
169.12276	1.2
171.08073	1.9
171.11699	4.2
173.09692	1.6
173.13281	1.9
175.01550	49.5
175.11168	6.4
177.09087	2.2
177.12718	2.8
179.10641	2.1
181.02592	72.6
181.10130	1.8
183.11632	1.3
185.09625	1.5
185.13297	4.6
187.01523	2.8
187.11238	1.5
189.11232	3.2
189.12773	2.3
193.12242	1.6
195.11716	2.3
195.13753	1.3
199.03671	3.7
199.11186	1.8
200.87224	1.0
203.14322	1.3
209.03691	1.4
213.12830	1.3
215.12701	1.3
215.14598	1.3
222.05188	1.6
223.13246	9.6
227.04671	27.5
227.06787	1.9
227.12761	2.8
227.17946	1.2
231.07762	2.8
237.16405	1.9
239.04684	1.8
245.18985	5.7
247.20692	1.1
249.14864	1.6
251.12791	3.1
253.14326	4.3
255.17468	2.8
257.05756	9.3
263.20081	4.4
273.18475	33.5
275.19992	1.8
283.10913	7.4
287.88144	1.1
291.19516	73.3
292.19812	1.8
309.20639	2.6
313.11978	42.0
314.12268	1.9
331.12930	2.7
338.16025	1.0
345.20782	1.1
347.22150	10.7
351.22961	1.1
365.23270	7.4
369.18286	22.9
369.23294	1.9
370.18344	1.6
431.06851	1.4
487.12811	6.0
523.53363	1.2
529.38654	1.9
543.19025	36.5
543.32959	2.9
544.19556	5.9
559.33252	1.6
599.25311	87.4
600.25592	9.4
609.41772	1.3
637.41010	12.5
655.31165	64.3
655.41882	48.0
656.31592	10.7
656.42297	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	655.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.8
53.03910	2.3
55.01865	7.3
55.05508	20.7
55.05758	0.8
57.03421	3.4
57.07030	2.6
59.04962	0.6
61.34819	0.6
65.03913	1.2
67.05498	28.6
69.03428	8.1
69.07060	30.4
71.04956	2.4
71.08616	0.9
71.60702	0.6
73.78448	0.6
76.15575	0.6
79.05482	24.3
81.03418	5.3
81.07047	24.5
83.04978	10.9
83.08607	7.5
85.06468	1.0
91.05470	22.2
93.07030	21.1
94.04131	0.9
95.01295	0.8
95.04963	12.1
95.08593	13.2
97.02884	7.4
97.06522	5.4
97.10156	9.7
99.08044	0.7
103.05431	1.2
105.04425	0.6
105.07014	17.8
107.04948	10.9
107.08584	14.0
107.44604	0.5
109.02848	0.8
109.06496	4.1
109.10149	8.5
109.87528	0.5
111.04420	1.1
111.08024	1.9
113.05910	0.7
115.05405	1.7
117.06335	0.7
117.07007	7.7
119.04886	2.0
119.07790	0.9
119.08565	13.9
120.05663	1.6
121.06470	3.6
121.09457	0.5
121.10136	5.9
121.93777	0.7
123.04456	0.7
123.08053	5.4
123.11641	0.9
125.09630	7.8
128.06172	2.1
129.07019	5.6
130.07738	0.9
131.04774	0.7
131.07686	0.8
131.08559	8.7
133.06464	4.5
133.10126	6.0
134.07195	1.1
135.08034	5.8
135.11674	3.8
137.09558	2.0
139.11108	0.6
141.06972	1.0
142.07751	0.8
143.08543	4.4
145.06461	2.3
145.10112	8.2
147.07088	0.6
147.08037	7.3
147.11671	5.4
149.09598	3.2
149.13235	2.5
151.07518	0.7
151.11111	1.7
153.09079	1.9
155.08501	1.5
157.06462	0.7
157.10124	3.7
159.08060	1.8
159.11670	4.4
161.09578	3.8
161.13205	1.2
162.10374	1.8
163.11110	3.1
165.09048	1.3
169.10059	1.2
169.12198	0.9
171.08118	0.7
171.10220	1.2
171.11659	2.9
173.09555	1.0
173.13248	1.7
175.01515	2.1
175.11179	8.1
177.12694	2.5
179.10631	0.6
179.14285	2.3
181.02599	4.5
181.10068	0.9
183.11575	0.8
185.13234	1.2
189.11157	3.9
189.12704	1.3
195.13684	1.1
203.10577	0.9
203.14195	1.1
205.12183	1.3
207.13718	0.7
223.13280	13.0
225.11200	1.1
227.04655	1.6
227.12762	3.1
227.17976	1.1
231.13716	0.8
245.18912	2.5
249.14801	3.2
255.17546	1.5
259.20810	0.6
261.18542	0.7
263.16589	0.5
263.19824	0.9
270.92313	0.6
273.18457	24.8
275.20197	1.3
277.21594	1.0
289.18146	0.9
291.19504	96.0
292.19861	1.7
309.20630	1.0
313.12030	2.8
329.21167	0.9
339.22949	0.6
347.22180	5.5
354.10446	0.7
365.23264	5.1
369.18210	1.6
419.24332	1.2
447.27902	0.6
489.32419	1.0
523.46161	0.6
543.19214	2.7
557.38666	4.5
558.38141	0.7
599.25287	5.1
637.40863	5.6
655.31976	4.2
655.41931	100.0
656.31891	1.0
656.41919	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	655.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	2.4
53.04132	0.6
55.01866	7.4
55.05509	16.2
55.05755	0.8
57.03432	12.0
59.04971	0.8
60.07233	0.6
65.03896	2.6
67.05499	39.6
69.03423	6.8
69.07065	23.5
71.04947	2.5
71.60242	0.9
79.05482	30.1
81.03419	5.7
81.07050	29.0
82.07349	0.7
82.42887	0.8
83.04980	4.4
83.08613	7.4
85.02872	0.7
85.06538	7.3
91.05473	30.4
93.07034	28.3
93.07907	0.8
95.01283	0.9
95.04961	30.0
95.08066	0.9
95.08595	14.9
97.02879	4.9
97.06523	5.9
97.09639	0.8
97.10157	7.8
99.04445	0.9
99.08068	1.0
103.05447	0.7
105.04498	0.7
105.07019	22.5
107.04288	0.9
107.04946	13.1
107.08591	17.8
109.06509	35.6
109.10138	7.3
111.04420	0.9
111.08018	2.1
113.05241	1.3
113.05989	21.9
115.05376	2.7
117.07002	12.9
119.04868	1.7
119.08564	16.4
121.06487	5.0
121.10143	5.5
123.04414	1.8
123.08047	4.5
123.11665	1.7
125.09628	4.2
127.20616	0.7
128.06165	2.5
129.06993	6.8
130.07765	1.0
131.08559	13.3
133.06468	4.8
133.10121	8.1
134.07277	0.7
135.08046	23.5
135.11667	5.7
137.05994	0.9
137.09554	3.1
141.07037	1.7
142.07732	1.6
143.08551	7.8
145.06456	3.0
145.09081	0.7
145.10117	9.0
147.08034	8.4
147.11656	4.7
149.09618	3.9
149.13213	2.9
151.11134	1.1
153.09113	0.9
155.08514	2.1
156.09311	0.7
157.10126	7.0
159.08035	3.5
159.11688	6.6
161.09615	8.6
161.13226	2.0
163.11182	3.6
165.09085	2.1
167.08495	0.9
167.38130	0.7
169.10127	1.6
171.11644	3.7
173.09578	1.8
173.13243	3.0
175.11137	4.6
177.12729	4.4
179.14281	1.0
181.10124	0.9
181.43411	0.7
183.11723	1.8
185.09633	1.7
185.13240	3.0
187.11188	1.9
187.14764	0.8
189.11157	2.8
189.12659	1.2
191.10628	0.7
195.11705	0.8
195.13733	2.5
197.13181	1.3
199.11171	1.4
199.14786	2.7
201.12718	1.4
203.14233	0.8
205.12196	1.2
216.00159	0.7
217.15857	9.5
217.19278	0.8
219.13728	1.2
223.13268	9.2
227.12628	1.9
227.17998	1.0
233.15213	1.7
237.16542	1.5
245.19003	3.2
249.14873	2.6
255.17354	2.6
257.19000	0.8
261.18204	1.0
263.19989	1.3
273.18484	32.6
275.20004	2.9
279.15945	0.8
288.33380	0.7
289.18097	1.8
291.19516	100.0
292.19891	1.6
309.20547	1.2
329.21100	1.3
347.22128	10.0
349.23935	0.8
365.23190	8.2
488.59985	0.7
493.19986	0.7
498.23221	0.7
518.19598	1.0
577.24872	1.1
619.40027	0.9
623.24927	1.2
637.40790	7.7
655.28339	1.8
655.41943	46.8
656.41956	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.9
55.01873	7.0
55.05503	26.9
57.03435	11.9
65.03935	4.9
67.05500	72.8
69.03435	21.4
69.07076	12.5
69.88288	9.1
71.04989	55.8
72.08143	4.1
73.79956	1.7
74.38501	1.7
79.05489	44.8
80.79842	1.7
81.03415	100.0
81.07051	96.6
83.04974	22.3
83.08610	26.6
83.36292	2.0
85.02900	28.6
85.06535	8.8
91.05473	63.2
93.07037	43.8
95.04958	32.0
95.08605	19.2
97.02872	17.6
97.06503	13.4
97.10149	9.3
99.04462	6.6
99.08051	2.3
105.07024	37.1
107.04945	7.6
107.08590	25.8
109.02869	19.4
109.06524	7.5
109.10153	8.9
111.04437	10.6
111.08084	10.8
113.05956	2.7
117.06987	13.1
119.08569	21.9
121.06484	6.8
121.10159	17.1
123.04445	2.5
123.08049	5.3
123.11700	13.4
125.09653	4.8
127.03903	13.0
129.05457	4.2
129.06998	11.2
131.08557	19.8
133.06487	3.7
133.10123	31.4
135.08061	4.0
135.11673	7.6
137.06000	2.6
142.07791	4.2
143.08586	1.9
145.10112	5.3
147.08043	5.4
147.11668	15.9
149.09619	5.5
149.13277	8.2
151.11201	10.3
157.10115	14.6
159.11687	8.7
163.11150	2.9
165.12773	5.3
169.12245	2.2
171.06493	2.7
171.11684	3.0
173.04442	9.3
175.11212	14.5
177.12764	6.2
183.06383	2.3
183.13803	10.4
187.13280	14.2
193.12222	33.9
195.13794	7.1
201.14864	6.3
201.69016	1.8
211.13280	62.5
211.15256	3.5
227.12733	4.7
229.14270	2.2
235.13306	2.8
249.14662	2.2
257.17560	4.5
267.15839	13.6
269.17328	4.6
277.14322	2.5
281.17697	2.0
285.17026	9.0
299.18555	4.3
301.20294	2.6
321.16898	3.9
339.17972	7.6
395.20618	4.0
427.23044	2.6
435.27316	15.6
451.30630	3.3
453.28497	10.2
461.29089	13.1
467.29968	13.3
479.29990	9.1
511.32471	12.0
587.30817	2.3
605.33502	3.4
623.33905	13.4
637.35522	3.9
655.37073	51.3
656.37195	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	655.3684
Annotation	Cilistol p
Peak:m/z	Relative Intensity
53.03934	9.9
55.01863	6.1
55.05506	23.4
57.03432	13.2
61.22791	1.9
65.03927	4.9
67.05504	70.5
67.07509	1.7
69.03423	16.9
69.07060	15.5
70.27059	6.2
71.04990	20.2
72.39298	2.1
79.05489	65.2
81.03414	44.3
81.07052	100.0
83.04972	19.9
83.08619	12.6
85.02891	9.2
85.06538	9.4
86.74394	1.9
91.05476	48.9
93.07041	61.5
95.04970	19.9
95.08603	28.9
97.02908	12.6
97.06528	7.6
97.10152	4.8
98.20878	2.6
99.04478	5.3
99.08080	3.5
105.07024	36.1
107.04948	8.4
107.08596	24.8
109.02869	7.6
109.06498	7.5
109.10153	8.7
111.04424	5.5
111.08085	5.4
115.05526	2.2
117.07001	13.8
119.08580	21.5
121.06465	3.7
121.10156	10.9
123.08054	5.4
123.11673	12.0
125.09654	3.3
125.61266	2.0
127.03900	8.0
128.06129	2.7
129.05505	4.6
129.06993	14.3
131.08583	11.0
133.10130	20.1
135.11711	7.1
141.07018	2.6
143.08569	8.1
145.10104	7.8
147.08060	3.2
147.11684	33.3
149.09622	3.5
149.13261	9.0
151.11176	2.8
157.10188	3.1
159.11688	8.4
161.05968	2.4
161.09537	3.0
161.13260	8.0
163.11230	2.6
165.12724	6.0
171.03413	1.9
171.11691	13.1
173.04456	15.1
177.12787	5.8
187.13261	10.2
189.12779	7.1
193.12228	4.3
195.13760	5.2
207.13766	21.2
211.13152	3.0
243.15839	11.3
267.15918	10.7
269.17465	9.2
281.17459	46.1
287.18622	2.7
339.17868	3.5
413.21851	5.5
431.22672	6.1
449.28952	67.0
467.29865	3.8
467.53787	2.3
469.10101	2.6
475.30591	48.6
493.31439	6.1
619.34851	10.9
623.33472	3.8
637.35565	13.7
655.37115	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	655.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.2
55.01611	4.2
55.01853	8.3
55.05506	38.9
56.99369	3.7
57.03431	17.3
67.05164	7.3
67.05502	100.0
69.03424	21.9
69.07063	23.7
71.04985	25.7
71.60338	4.6
72.08143	12.1
79.05485	71.2
81.03413	64.3
81.07053	82.0
83.04971	32.6
83.08614	20.4
85.02896	14.5
85.06550	6.5
91.05477	74.5
93.07044	73.6
95.04952	32.4
95.08591	37.8
97.02892	11.9
97.06532	16.6
97.10155	15.3
105.06366	6.4
105.07025	59.2
107.04958	18.3
107.08592	44.0
109.02180	3.9
109.02879	9.4
109.06529	18.1
109.10133	34.3
111.04474	8.1
111.08080	6.4
113.06020	6.0
115.05437	6.9
117.07021	17.6
119.08569	42.6
121.06512	14.6
121.10165	18.9
123.08071	8.8
125.09653	8.5
128.06198	3.9
129.05489	10.2
129.06990	18.3
131.08543	30.9
133.06458	6.8
133.10138	17.5
135.08067	8.0
135.11696	15.4
137.05919	5.0
137.09598	8.5
141.06999	5.5
143.08557	14.2
145.06477	7.5
145.10088	19.9
147.08047	9.9
147.11668	28.9
149.09627	5.5
151.11140	4.2
155.08589	6.2
157.10153	6.7
159.08095	4.7
159.11728	11.1
161.05998	6.6
161.09650	10.5
161.13239	7.1
163.11122	7.4
167.08545	4.9
169.10080	8.2
171.11713	16.9
173.04440	18.3
173.09625	6.8
173.11789	4.8
173.13272	7.4
175.11076	6.2
189.11244	7.3
193.12270	7.7
197.09796	4.6
197.13365	6.3
199.14760	4.8
207.13855	11.2
210.43076	4.0
211.13261	10.0
223.79465	3.8
225.14751	4.6
227.12778	10.8
259.16672	4.4
267.15933	8.0
269.17532	4.8
273.18396	5.1
275.20114	4.4
281.17465	25.5
289.17862	6.1
291.19562	12.4
351.23004	5.6
369.24237	8.1
383.37708	4.1
387.25012	7.8
396.22488	4.8
399.20279	5.1
431.22772	4.7
435.27313	37.2
443.28003	21.8
449.28821	6.6
461.29016	98.4
475.30865	5.4
487.30429	11.9
493.31454	18.1
605.32861	13.8
637.35663	14.8
655.37805	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	655.3319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.7
55.01869	16.1
55.05505	25.0
55.05753	2.6
56.44637	1.2
57.03432	15.9
57.07062	5.7
59.04983	1.5
61.02915	1.4
65.03944	3.4
67.05499	53.7
69.03423	32.6
69.07061	10.5
69.46061	10.4
71.01349	1.9
71.04989	12.1
73.02909	6.2
79.05486	43.8
81.03412	100.0
81.07050	41.4
82.04200	2.1
83.04979	22.4
83.08622	21.3
85.02898	28.3
85.06547	2.7
86.09692	2.8
90.11253	1.2
91.05474	41.3
93.07041	28.6
95.04963	34.0
95.08599	15.2
97.02879	31.1
97.06532	7.6
97.10164	11.8
99.04424	5.8
99.08041	1.7
101.02367	1.7
103.05378	1.2
105.04470	1.6
105.07016	28.6
107.04942	12.9
107.08574	18.0
109.02877	13.9
109.06508	7.3
109.10143	18.4
111.04431	11.4
111.08063	10.0
113.05972	2.1
115.03909	4.4
115.05421	3.4
116.04745	1.3
117.07043	6.3
119.04897	2.0
119.08572	21.3
121.06500	6.0
121.10129	13.2
123.04422	4.9
123.08076	2.8
123.11683	4.7
125.02321	1.3
125.06010	2.1
125.09601	10.4
127.03912	9.0
129.05449	3.6
129.06993	12.4
131.04933	2.0
131.08569	12.4
133.06482	4.6
133.10129	13.5
133.81731	1.1
135.04402	5.2
135.08063	3.7
135.11673	6.7
137.05989	2.3
137.09631	2.6
142.07828	3.0
143.03374	2.9
143.08591	2.5
145.06459	1.9
145.10104	7.2
147.04427	2.5
147.08028	4.3
147.11668	14.1
149.06020	1.6
149.09592	8.9
149.13249	1.4
151.11189	1.5
153.05440	3.8
153.12698	2.2
155.08551	1.6
155.10663	1.6
157.10097	12.6
159.11636	2.3
161.09639	2.1
163.03941	1.4
163.11160	9.4
165.12775	5.8
167.99763	1.3
171.06500	3.7
171.10181	1.6
173.04451	5.6
173.09558	1.8
173.11737	5.0
175.11140	12.2
177.05496	1.7
181.12202	4.3
185.13200	1.3
187.11143	1.5
189.11163	3.7
191.10667	4.7
193.12239	37.7
199.06035	3.0
199.13226	2.1
205.12326	2.0
209.11641	6.8
211.13260	44.7
215.79016	1.3
223.13289	2.8
227.12735	8.9
229.14319	10.7
235.13330	1.6
249.14859	2.2
255.15887	1.7
260.14648	1.9
264.40030	1.4
267.15939	12.4
269.17636	2.0
283.15356	5.4
285.17007	7.5
289.14252	2.8
307.15408	2.7
309.16980	1.4
353.15817	1.7
355.17624	3.1
409.18649	2.2
411.19955	3.4
421.25668	9.6
427.19403	3.7
429.20651	1.5
439.27063	8.6
475.26740	3.4
493.27930	6.6
637.31830	6.1
655.33337	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.2
55.01870	12.9
55.05506	21.8
57.03432	12.8
57.07061	7.7
59.04993	3.1
61.02914	1.7
65.03929	4.3
67.01882	1.4
67.05499	49.3
69.03073	2.1
69.03420	31.8
69.07056	14.1
70.72859	5.1
71.01341	2.8
71.04988	11.8
71.64793	1.4
73.02907	6.5
75.04413	1.5
75.56755	1.3
79.05487	37.1
81.03409	100.0
81.06572	2.7
81.07047	47.7
83.04980	17.3
83.08607	25.0
85.02895	26.0
85.06524	3.4
91.05466	43.5
91.06005	3.1
93.07032	31.3
95.04956	30.8
95.08588	15.9
96.84867	1.5
97.02875	32.5
97.06528	10.1
97.10157	11.5
99.04446	7.3
103.05450	2.1
105.07012	30.3
107.04932	15.6
107.08579	19.2
109.02866	14.7
109.06493	6.4
109.10155	15.7
111.04429	12.9
111.08054	11.5
113.06017	3.3
115.03931	3.7
115.05394	3.0
117.07009	7.2
119.04910	2.2
119.08569	21.6
121.02891	1.7
121.06490	5.4
121.10119	15.5
123.04417	8.0
123.08045	3.6
123.11700	3.2
125.02335	1.9
125.09646	8.4
125.19900	1.6
127.03912	8.8
127.11163	3.3
129.05458	4.1
129.06978	9.9
131.04922	2.0
131.08563	14.1
133.06451	4.1
133.10104	16.4
135.04387	5.5
135.08028	4.2
135.11679	6.8
137.05946	2.9
137.09602	2.9
139.03853	1.9
139.11150	1.8
141.06865	1.7
142.07768	3.6
143.03342	2.8
145.04999	2.0
145.06461	2.6
145.10089	10.5
147.04416	3.8
147.08057	6.1
147.11682	18.2
149.06055	1.8
149.09634	8.7
151.03931	1.6
153.12749	4.4
157.10146	11.9
159.08073	2.2
159.11699	2.6
163.03912	3.5
163.11136	14.1
165.12779	4.1
173.04456	4.4
173.09595	4.6
173.11713	3.3
175.11183	12.8
177.05415	1.9
181.12198	4.0
183.08058	1.6
191.03401	6.3
191.10666	5.6
193.12210	38.2
195.13834	2.7
199.06015	2.5
199.13242	2.5
209.11691	10.8
211.13257	42.2
227.12744	11.1
229.14331	8.2
233.08037	12.1
239.06825	1.6
240.68144	1.6
247.05576	1.7
249.14903	1.9
253.08627	2.2
265.14334	3.0
267.15924	15.9
271.05969	18.6
283.09378	2.3
283.15320	8.7
285.10065	2.0
285.16980	7.7
289.14157	2.1
301.16605	2.5
307.15405	2.7
316.12616	1.9
324.10989	2.0
337.07202	3.2
337.16550	2.4
367.11771	8.5
379.11600	2.0
383.22046	1.8
409.12772	15.3
411.19717	2.6
421.25797	5.6
439.26913	8.5
457.25540	1.8
467.30151	2.0
468.40921	2.5
471.10657	25.5
472.11295	2.7
475.26852	7.1
483.10379	2.3
493.27875	5.1
503.13370	2.5
511.29089	2.2
515.13220	5.5
583.31226	2.3
619.30072	2.0
637.16595	6.9
637.32208	6.6
655.17285	12.7
655.32922	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	655.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01865	0.8
55.05507	2.8
57.03416	0.5
57.07069	1.2
67.05505	4.9
69.03425	0.7
69.07057	2.1
70.65676	1.0
71.04990	0.3
75.04474	0.3
77.47291	0.3
79.05069	0.3
79.05495	4.4
81.03399	1.0
81.07054	5.4
83.04984	4.5
83.08617	0.9
85.06552	0.4
91.05482	4.8
93.07034	3.8
95.04961	2.4
95.08595	2.8
97.02925	0.4
97.06528	0.8
97.10162	0.5
105.07031	3.3
105.73618	0.3
107.04960	1.6
107.08588	2.1
109.06523	1.1
109.10160	1.3
111.08079	0.4
115.05405	0.3
117.07038	0.9
119.08590	2.1
121.06481	1.0
121.09151	0.3
121.10153	1.2
123.08086	0.6
125.09641	0.6
128.06201	0.4
129.07011	1.2
130.44885	0.3
131.08563	1.3
133.06522	0.3
133.10132	2.2
135.08080	1.0
135.11699	0.7
141.06979	0.4
143.08525	0.6
145.10130	1.1
147.08067	1.1
147.11710	1.4
149.09654	0.8
149.13214	0.4
151.11104	0.5
157.10179	0.6
159.11691	0.6
161.09663	0.8
161.13335	0.4
163.11194	0.4
171.11736	0.3
173.09784	0.3
173.13164	0.3
175.01549	2.3
175.11186	0.5
177.12732	0.4
181.02589	2.5
184.73767	0.3
185.13512	0.3
199.11214	0.4
223.13226	0.5
227.04721	0.9
228.68927	0.3
238.10941	0.3
245.19078	0.4
253.14371	0.6
270.20786	0.3
273.18478	3.3
275.19888	0.4
291.19510	4.1
313.11996	1.6
346.23944	0.3
347.22324	0.9
365.23141	0.7
369.18387	1.0
377.18225	0.3
379.18835	0.4
391.19254	1.4
392.20221	0.5
393.20758	0.7
405.16553	2.3
405.21713	0.6
406.21854	0.9
407.22540	4.1
408.23315	0.3
418.17685	0.4
419.18182	3.6
419.23672	0.5
420.18890	1.7
420.24332	0.4
421.19946	1.3
431.18716	0.4
432.19321	0.5
433.20642	5.6
434.21124	4.9
435.21808	8.5
436.22864	0.6
446.21405	0.7
447.17868	1.7
447.22238	1.8
448.18488	1.0
448.23245	0.8
449.19186	1.9
461.19647	1.3
461.24631	0.5
462.20377	4.9
463.21149	4.4
465.23444	0.4
475.21368	1.8
476.22079	1.3
477.22943	1.4
479.20932	1.2
489.22876	1.0
490.23471	0.4
493.22488	0.6
495.23926	1.2
505.22192	0.4
507.20465	0.9
508.25067	1.7
509.25421	1.5
520.24811	0.4
521.25610	11.6
522.25720	0.5
523.26642	0.3
535.25153	0.5
543.19250	1.3
547.27026	0.4
549.24988	19.6
550.25287	0.8
553.24689	0.9
557.38403	0.6
563.26697	2.7
564.27429	0.7
566.25940	0.3
567.25220	0.3
577.24048	0.6
580.26727	0.4
581.27539	3.1
595.29272	10.5
596.29010	0.5
599.25159	2.9
607.29004	0.6
609.27075	11.4
610.26965	0.6
623.28729	1.2
637.41437	0.9
655.31189	100.0
655.39960	4.1
656.31781	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	653.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65878	0.3
55.01865	0.6
55.05511	0.7
56.05013	0.4
57.03424	0.6
67.05509	2.1
68.05001	0.4
69.03433	0.5
69.07069	2.6
70.28094	0.9
70.28513	1.1
71.04980	0.5
79.05493	1.8
81.03397	1.3
81.07056	1.6
83.04979	0.8
84.04504	6.3
84.08135	7.2
85.02888	0.6
86.09702	100.0
91.05465	1.1
93.07054	1.5
95.04966	0.9
95.08598	0.8
96.08162	0.5
97.02878	0.6
97.10231	0.4
105.07003	0.7
107.04938	0.5
107.08614	0.5
109.10126	0.5
111.05591	0.4
112.11240	1.3
117.05808	0.4
117.06982	0.5
118.06536	2.9
119.08597	0.6
129.05693	0.5
129.06630	0.6
130.06523	6.1
131.08542	0.4
131.11839	0.8
132.08049	2.9
133.10146	0.6
136.33089	0.4
139.05037	1.7
140.14378	1.0
141.10307	0.5
142.06519	0.7
143.07355	0.6
144.08083	3.0
144.10246	0.5
146.06021	8.2
147.04437	0.7
152.14337	0.6
154.15967	0.4
156.08118	1.3
157.08829	1.7
158.08380	2.1
158.09685	1.0
159.09163	7.0
167.07306	0.5
167.11789	1.8
168.08086	1.4
169.08861	0.8
170.06055	0.8
170.09633	9.2
170.15361	0.5
172.11198	6.5
172.12660	0.5
180.13866	0.5
181.08830	1.5
182.09673	1.6
183.09148	1.2
183.10550	0.7
184.09953	1.3
184.11232	17.8
185.11992	16.2
186.12787	5.9
188.07062	11.0
188.08772	0.6
195.11276	4.9
196.11232	5.1
197.11884	0.5
197.13202	0.4
197.16568	0.8
198.12865	5.1
199.18028	4.1
200.10696	7.4
201.11066	0.4
205.09726	3.5
213.13855	17.7
214.12251	1.1
215.15405	1.2
223.10762	2.0
224.10812	0.6
225.13840	0.6
227.15479	0.8
227.17540	5.6
235.12476	0.6
240.17393	0.8
241.13348	0.7
242.11749	44.8
243.12041	0.5
259.14410	86.9
260.14771	1.4
273.15985	1.2
280.20398	0.5
282.14468	0.8
283.21686	0.9
308.19678	4.2
318.18243	2.1
326.22324	1.3
327.20740	1.1
336.19263	7.6
363.18112	1.0
367.23422	3.5
372.22803	32.5
381.19180	1.2
395.22653	2.0
409.18869	0.7
421.27951	1.3
427.19711	4.3
431.26324	1.3
449.27539	1.7
485.31241	12.4
540.27997	1.8
541.28278	0.5
579.36438	2.1
607.26984	0.7
607.36047	10.6
608.36060	0.6
609.37286	0.8
625.37061	7.0
635.35291	1.0
653.37024	4.9
658.83215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3529
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03941	9.3
55.01865	8.7
55.05511	25.6
57.03429	17.0
59.04980	2.4
59.90416	1.9
65.03935	5.1
67.05501	62.0
69.03426	21.7
69.07076	10.7
71.04979	9.2
72.08190	2.5
79.05493	80.5
81.03417	100.0
81.07055	58.5
83.04977	40.1
83.08613	27.8
85.02905	17.6
85.06538	4.1
91.05473	69.3
93.07039	60.8
95.01332	2.9
95.04960	44.8
95.08610	26.9
97.02888	18.5
97.06538	7.6
97.10165	8.6
99.04465	3.6
105.04517	2.8
105.07027	49.1
107.04973	14.7
107.08590	21.0
109.02904	10.8
109.06493	9.9
109.10138	8.3
111.04450	12.7
111.08094	6.2
115.05453	3.7
117.07012	18.5
119.08583	33.9
121.06535	3.9
121.10117	11.5
121.87990	1.8
123.08084	8.5
123.11721	3.2
125.09612	3.1
127.03913	10.6
127.07507	2.9
128.06253	3.5
129.05481	5.5
129.06982	20.1
131.08572	16.7
133.06461	4.0
133.10127	20.1
135.08139	3.2
135.11703	3.1
137.99774	2.1
142.07790	4.1
143.08556	9.9
144.86285	1.7
145.06369	2.0
145.10149	10.5
147.08105	5.6
147.11676	39.5
149.09639	7.6
157.10118	13.8
159.08040	2.6
159.11702	3.0
161.09599	3.8
161.13254	8.7
163.11191	4.4
165.12746	3.3
171.11703	23.7
175.11211	12.7
186.13199	2.6
189.12761	8.9
193.12233	37.7
207.13808	25.7
211.13260	45.2
225.14723	2.3
227.12773	6.7
229.14297	3.4
229.24472	1.9
249.14917	3.0
267.15884	38.3
269.15311	2.7
281.17468	57.4
285.17035	13.4
287.16495	4.3
355.17474	5.4
380.72986	2.0
411.19980	3.8
429.21100	15.2
473.29010	81.7
480.77362	2.5
491.29895	18.5
617.32788	3.2
634.25598	2.1
635.34253	40.9
653.35797	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	653.3521
Annotation	Withanoside III
Peak:m/z	Relative Intensity
52.05448	2.2
53.03940	12.2
53.21350	2.2
55.01851	7.1
55.05508	30.0
55.87706	2.1
57.03434	16.0
59.05007	2.7
60.42850	2.5
65.03915	3.9
67.05499	69.1
69.03426	19.5
69.07067	14.9
69.34013	24.6
71.04991	11.6
77.03934	2.9
77.46964	2.3
79.05485	78.4
81.03413	100.0
81.07047	76.7
83.01309	2.3
83.04978	39.2
83.08614	26.7
85.02906	22.2
85.06529	4.8
91.05471	83.9
93.07037	68.2
95.01330	3.0
95.04954	47.2
95.08598	31.5
97.02876	18.2
97.06524	8.7
97.10143	7.7
98.21560	3.3
99.04447	4.9
99.08082	4.6
105.07021	60.2
107.04951	14.0
107.08584	24.1
109.02877	13.4
109.06508	12.2
109.10143	12.6
111.04420	11.0
111.08045	7.1
115.05421	3.3
117.07000	15.6
119.04916	2.9
119.08558	38.8
121.06490	5.6
121.10135	13.7
123.04377	3.8
123.08048	9.0
123.11727	3.4
127.03928	12.2
128.06252	3.4
129.05493	5.5
129.06989	29.7
131.04826	2.9
131.08560	17.9
133.06454	5.0
133.10110	21.3
135.11659	6.9
137.09610	3.0
141.07033	2.6
142.07774	3.9
143.08528	9.5
145.06477	5.2
145.10138	14.7
147.07997	7.1
147.11667	47.2
149.09570	8.4
157.10100	13.7
161.13235	7.6
163.11266	5.7
165.12686	2.9
171.11664	19.0
175.11186	11.3
189.11253	2.5
189.12741	10.4
191.10695	3.1
193.12224	46.9
205.12143	2.8
207.13786	30.0
211.13260	42.1
227.12738	9.0
229.14343	5.4
267.13071	1.8
267.15875	38.3
269.79849	2.8
281.17447	73.2
285.16962	15.4
287.16373	4.4
296.36459	3.1
301.14322	2.6
355.17612	6.4
424.27017	3.0
425.21744	2.9
429.21017	19.9
473.28946	84.9
491.30069	29.5
617.33844	4.0
618.85303	2.5
635.34106	38.7
653.35413	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	653.2961
Annotation	Haplophytine
Peak:m/z	Relative Intensity
71.43464	2.2
94.39215	0.8
103.72151	0.9
112.78349	0.8
281.09235	0.9
295.14355	1.0
389.17694	2.0
390.18500	2.6
391.19394	2.8
403.19388	3.9
404.20035	6.3
405.20709	12.7
417.21246	2.4
418.21606	3.0
419.22278	10.2
420.23087	3.4
421.23572	1.1
431.23093	2.2
432.23428	1.2
433.23798	8.9
434.24661	3.7
435.18134	2.0
445.20218	2.4
447.21313	5.5
448.26459	1.7
449.19577	6.5
450.20313	2.6
462.20667	1.3
463.21030	6.9
464.21942	5.3
465.22916	1.8
473.19418	1.8
474.21344	1.1
475.21423	3.4
477.22916	5.3
478.23538	4.9
479.24402	42.7
480.25226	1.8
487.21262	4.7
491.20688	2.9
491.25360	1.4
492.25327	2.9
493.26013	2.0
501.22876	5.0
502.23074	3.0
507.27539	24.3
508.27737	1.2
519.23901	3.3
533.25580	6.9
534.24756	1.0
535.22760	1.1
536.24341	1.5
537.24817	12.5
551.26477	39.3
561.25024	7.5
562.25378	1.2
563.22754	1.3
565.28058	22.6
566.28833	100.0
567.29102	2.1
593.27496	14.0
603.25720	1.1
621.27026	21.2
625.29962	1.2
635.27673	2.1
652.04333	1.0
653.29651	87.1
654.29987	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90593	1.7
55.85342	1.8
56.96283	2.8
56.96559	34.2
67.81824	1.7
69.03427	1.5
69.51494	1.4
69.97381	2.4
69.97794	5.6
71.95270	1.6
74.70322	1.9
74.97607	2.3
77.03515	1.5
78.52911	1.3
84.96030	16.1
85.02921	1.8
90.94815	1.7
95.01959	1.4
97.02869	2.8
98.97578	86.4
102.97052	2.3
107.04964	3.3
110.97547	19.2
112.99129	2.3
116.98615	62.8
119.01927	4.1
128.98602	41.8
128.99559	2.6
131.00223	2.9
131.01909	2.6
132.95854	4.0
132.98116	4.5
134.99646	27.6
140.00334	2.4
140.98576	7.7
143.00136	12.5
144.95757	2.1
145.01674	2.0
146.99651	31.6
150.96907	3.5
150.99139	13.6
152.98584	4.5
155.00201	1.9
155.01804	2.5
158.97470	2.1
158.99628	30.7
160.99159	2.5
161.01231	20.7
161.02690	2.3
162.96921	3.0
162.99271	2.7
163.00693	6.6
165.00775	3.6
165.99394	2.4
169.00157	3.9
170.99634	34.6
171.01060	2.4
173.01299	3.6
173.02892	3.0
174.96922	3.3
174.99155	6.6
177.00703	34.7
177.02173	2.3
179.00211	6.2
179.02280	4.6
180.99472	1.5
181.00226	1.7
181.01701	11.3
182.99658	16.8
184.00467	5.0
185.01236	6.9
185.02800	2.3
186.96855	3.5
189.00697	48.1
193.00186	23.9
195.01758	4.2
195.05049	4.0
197.01215	18.6
198.96936	2.7
199.02721	8.7
201.00694	82.1
202.01350	3.1
202.96361	1.8
203.02267	3.6
206.99611	4.6
207.01741	6.4
207.99254	1.8
208.99452	2.0
209.01117	7.7
211.01256	5.0
213.00758	6.7
215.02325	5.9
216.98012	3.3
217.00122	2.9
219.01750	75.3
221.01244	3.2
223.02911	2.0
225.00757	8.0
227.02243	41.2
231.01830	10.3
234.99178	6.9
235.01308	3.5
237.00687	1.8
237.02826	36.8
237.05228	2.5
237.06285	2.1
239.02148	9.8
241.00046	2.4
243.01770	29.6
245.03246	8.5
247.01228	4.5
249.00575	2.3
249.06239	1.8
251.02322	3.5
253.00177	37.6
253.02647	2.3
255.03859	2.4
257.03369	3.3
261.02811	100.0
265.02390	3.8
267.01770	10.0
267.07266	2.9
267.26816	1.7
269.03387	2.4
271.01230	54.5
273.02841	7.0
277.00012	13.5
277.05478	1.8
279.03864	57.5
281.03271	4.5
285.02863	9.7
289.02310	13.7
291.03909	15.5
293.03381	8.4
295.00931	15.8
297.04614	2.8
302.05508	2.0
307.03741	2.5
309.02835	3.1
311.00708	2.5
311.04141	2.2
313.02280	34.6
319.03329	2.1
321.04916	29.5
327.03912	2.7
329.02039	8.4
331.03427	10.4
333.05090	5.3
339.03891	1.9
343.03455	3.7
349.04684	2.1
351.05994	10.1
355.03308	2.4
357.06604	3.2
371.00208	1.4
371.03052	2.7
379.03503	1.8
381.07089	5.4
383.07858	1.9
389.03894	2.5
397.04483	19.5
397.09872	4.1
399.07904	9.2
401.03711	3.2
411.06003	2.7
415.05548	33.7
415.10828	3.9
427.07562	24.7
429.07373	2.8
431.04718	3.9
433.06531	4.4
441.08734	4.5
443.08405	2.0
455.06564	2.5
457.08621	18.5
459.09921	6.3
473.05988	12.6
491.07013	26.8
545.11481	10.8
559.09357	1.7
563.11707	2.2
577.10736	90.9
579.12140	2.1
591.13489	1.7
617.10028	2.5
635.12170	1.9
653.12341	65.5
664.16272	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	651.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
55.01868	4.1
55.05515	27.7
57.03416	11.7
57.07077	9.4
65.03900	5.5
67.05165	6.7
67.05504	100.0
69.03425	20.4
69.07064	20.7
71.05000	8.0
71.08602	4.7
79.05482	28.1
81.03418	50.9
81.07053	64.9
83.04965	15.2
83.08611	14.1
85.02906	5.6
85.06528	4.1
85.10137	5.1
91.05485	25.4
93.07045	35.2
95.04968	9.2
95.08601	44.7
97.02876	15.0
97.10141	14.7
98.21504	10.5
99.04436	4.8
105.07043	22.2
107.08588	23.5
109.02887	10.9
109.10156	56.7
111.04432	12.1
111.08074	5.1
117.07011	15.0
119.08566	18.3
121.10137	12.9
123.08048	4.5
123.11716	6.4
124.67792	3.6
125.09625	13.0
127.03878	8.3
129.05472	11.9
129.06978	7.1
131.08539	13.7
133.10109	13.8
135.11714	14.0
140.92743	3.7
143.08551	9.1
145.10109	13.4
147.08035	4.1
147.11760	8.2
157.10083	10.2
159.11670	9.5
161.13249	6.3
173.11736	15.7
173.13217	5.0
181.10030	4.1
189.11192	8.1
227.12752	10.4
229.14336	29.8
261.22189	4.5
277.21237	4.4
335.25809	5.8
337.27203	6.5
351.23297	6.2
369.24121	12.5
373.18448	5.0
387.25296	6.4
461.28323	5.0
479.30261	5.5
615.39063	5.4
633.39954	20.9
651.42340	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	651.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.8
55.01860	8.2
55.05508	33.4
57.03423	13.5
57.69252	3.2
62.76636	3.3
64.96548	3.5
67.05502	100.0
69.03423	24.7
69.07072	19.2
71.04976	10.0
71.59840	5.3
79.05492	41.4
79.05927	5.7
79.17487	3.4
81.03413	71.8
81.07053	69.4
83.04977	38.0
83.08610	18.7
85.02910	6.5
85.06556	5.2
91.05014	3.4
91.05479	29.5
93.07035	42.6
95.05009	6.0
95.08602	46.3
97.02885	24.2
97.06522	3.7
97.10132	13.6
99.04440	9.7
99.08073	4.0
103.03992	3.1
105.07024	22.5
107.04968	4.5
107.08585	22.6
109.02866	9.8
109.06541	5.0
109.10148	53.4
111.04442	7.2
117.07003	11.8
119.08562	24.7
121.06466	4.8
121.10136	16.6
123.11686	9.0
125.09628	17.4
127.03913	10.5
129.05452	18.1
129.06990	8.6
131.08565	15.4
132.86102	3.0
133.06479	4.3
133.10129	13.1
135.08005	4.6
135.11697	14.8
137.09656	6.0
143.08582	7.7
145.10127	16.9
147.11676	10.4
149.09529	3.3
149.13261	9.0
157.10159	6.4
157.48949	2.9
159.11647	7.2
161.09676	4.2
161.13199	5.6
163.14697	3.9
169.10164	5.0
171.11731	6.6
173.09573	3.6
173.11702	14.9
173.13252	9.6
175.14731	3.2
185.13188	5.2
189.11237	20.0
202.87633	3.2
215.14125	3.8
227.12627	15.0
229.14317	25.0
245.13751	4.3
261.22241	7.3
263.23633	5.8
264.19232	3.7
301.21573	3.4
303.23096	3.6
335.25677	13.7
337.27390	19.0
345.24310	4.8
346.83304	3.0
351.23074	4.8
358.25330	3.0
369.24319	7.0
371.16733	7.6
373.18475	5.1
387.25150	8.1
405.26459	4.3
489.35742	7.1
507.36588	9.5
559.36206	4.4
615.38843	7.1
619.79919	3.3
633.39777	20.7
651.41107	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	651.41
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.8
55.01861	4.8
55.05509	34.0
57.03433	14.9
57.07071	13.9
59.38657	3.1
62.81594	3.2
67.05503	100.0
69.03420	24.4
69.07063	25.2
71.04984	10.8
71.08632	9.7
79.05501	42.4
79.07504	2.9
81.03413	65.3
81.07053	71.3
81.07518	5.0
83.04967	30.3
83.08612	19.1
85.02918	8.0
85.06533	4.3
91.05484	39.4
93.07056	36.3
95.04974	9.9
95.08610	48.3
97.02880	24.6
97.06508	3.9
97.10181	21.8
99.04462	5.9
105.07019	27.1
107.04935	6.7
107.08593	30.3
109.02871	13.6
109.06500	5.2
109.10151	50.2
111.04444	8.3
111.08054	4.0
117.07034	14.9
119.08588	15.9
121.10150	13.7
123.08044	3.5
123.11689	8.3
125.09630	14.8
127.03925	11.7
129.05501	13.9
129.07004	9.1
131.08575	15.5
133.06525	5.6
133.10149	18.2
135.08038	8.5
135.11685	13.0
137.09589	5.6
141.06964	4.5
143.08571	4.9
145.06479	5.6
145.10124	14.1
147.08006	4.4
147.11691	11.5
149.13274	8.0
155.08479	4.4
157.10155	7.7
159.11702	9.0
161.13254	7.2
171.11705	6.5
173.11832	15.8
173.13177	6.0
185.13174	3.9
187.14854	6.8
189.11211	15.8
189.12721	5.4
199.11195	3.7
227.12682	16.4
229.14343	20.6
229.25751	3.8
245.13623	3.7
259.20605	3.4
261.22205	8.8
263.23465	5.1
297.13443	3.8
335.25690	8.9
337.27237	13.9
353.20142	3.8
369.24179	5.6
371.16968	6.7
373.18121	4.2
461.29501	4.1
489.35941	4.3
507.36136	4.6
597.78430	3.6
615.39368	4.2
633.40076	21.9
651.43457	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	651.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.3
53.03943	11.0
55.01865	6.0
55.05513	23.4
57.03443	7.0
59.05008	1.5
61.02925	1.5
65.03931	4.3
67.05504	80.0
69.03426	22.4
69.07068	16.6
71.01329	2.1
71.04993	47.9
71.60599	2.3
73.06544	2.1
79.05490	87.0
81.03419	65.2
81.07056	100.0
83.04978	21.2
83.08623	13.4
85.02905	10.0
85.06526	9.2
85.78892	1.4
91.05482	84.8
93.07043	74.8
95.04964	26.8
95.08603	33.4
97.02895	19.6
97.06521	10.5
97.10167	3.7
99.04442	7.8
99.08086	3.0
105.04548	1.6
105.07028	53.2
107.04949	11.6
107.08596	29.6
109.02887	13.3
109.06492	9.8
109.10147	8.8
111.04464	7.5
111.08082	3.6
115.05473	2.6
117.07014	14.2
119.05042	1.3
119.08574	27.9
121.06497	3.6
121.10121	12.8
123.08038	8.1
123.11702	12.8
125.05994	2.0
127.03905	8.3
128.06229	4.4
129.05463	3.5
129.07005	14.3
131.08588	13.1
133.06528	2.1
133.10129	22.0
135.08028	3.6
135.11697	9.3
143.08571	10.9
145.06500	2.2
145.10132	13.6
146.07451	1.4
147.08029	4.6
147.11687	33.1
149.09631	1.9
149.13261	8.5
151.11223	7.4
155.08533	2.9
157.10117	2.9
159.11671	9.0
161.09698	2.7
161.13268	10.5
163.11195	6.7
165.12778	2.8
171.06508	3.6
171.11685	24.9
173.04456	12.5
173.13278	2.3
175.11261	3.2
177.12762	6.2
183.06543	2.8
183.13791	5.6
187.11760	2.3
187.13254	11.8
189.12770	10.6
191.14330	2.9
193.12341	2.1
195.13824	4.0
199.15005	2.6
201.14841	2.9
207.13808	30.5
214.93887	1.5
219.26102	1.5
223.14795	2.6
225.14777	8.8
227.12732	9.1
243.15926	2.3
257.17422	5.4
267.15973	2.5
281.17493	10.6
283.15326	2.1
287.16415	4.1
295.18964	3.3
321.16965	3.0
339.18057	8.3
351.18259	1.7
356.02057	1.6
389.19470	2.4
395.20581	5.6
403.28384	1.3
407.20309	3.1
427.23276	3.3
431.27979	2.4
433.29382	4.2
447.31146	3.0
449.28952	31.8
463.30417	10.5
465.32285	3.2
475.30438	10.1
507.32883	9.4
557.31506	1.8
601.33667	2.4
619.34760	21.8
620.34851	1.8
633.36053	1.8
651.37427	44.7
652.37366	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	649.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
55.01859	0.8
55.05511	6.5
57.03427	2.4
58.28374	0.7
61.02913	1.6
67.05503	15.6
69.03427	4.6
69.07064	3.5
71.01355	0.9
71.04987	3.0
71.59444	0.9
72.23427	0.6
73.02924	1.2
74.96835	1.0
79.05502	7.8
81.03413	6.7
81.07061	7.1
83.04976	2.2
83.08616	3.0
85.02908	2.5
85.06555	1.3
91.05488	9.5
93.07031	8.1
95.04974	2.8
95.08614	5.2
96.45801	0.7
97.02898	3.2
97.06584	0.9
97.10170	2.7
105.07044	7.8
107.08615	4.8
109.02870	1.6
109.06492	0.9
109.10161	7.3
117.07029	2.8
117.88441	0.7
119.08585	7.5
121.06613	0.8
121.10146	3.1
123.08065	0.9
125.09663	3.5
127.03950	0.9
129.06999	2.2
131.08562	5.2
133.10161	3.7
135.11720	2.5
141.07101	0.9
142.07787	0.9
143.08572	2.4
145.10126	4.8
147.11685	3.2
149.09651	1.3
149.13275	0.9
155.08615	1.9
157.10156	3.4
159.11700	4.6
160.45464	0.8
161.09656	1.0
161.13254	1.7
163.11258	0.8
167.08537	1.6
169.10153	1.9
171.11694	2.4
173.11772	2.0
173.13222	1.7
179.08496	0.9
183.08119	1.0
183.11711	1.4
189.11205	1.9
189.12776	0.9
195.11676	1.0
197.13261	1.0
207.11810	0.8
211.14726	0.8
227.12709	1.9
229.14360	1.7
235.15254	0.8
245.13826	1.4
259.20605	3.3
283.15109	6.7
301.21619	0.8
333.20413	3.4
333.24301	1.1
339.17719	3.5
351.23364	0.8
385.23550	1.0
389.22968	2.6
395.29922	1.1
487.34283	12.0
577.34314	0.9
595.36432	1.7
613.37592	2.2
617.23425	2.5
631.37976	3.6
649.26520	14.8
649.39185	100.0
650.26709	2.4
650.39575	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	649.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	12.6
55.01860	6.3
55.05511	25.7
57.03430	10.4
63.83482	2.2
65.03928	3.1
67.05504	53.1
69.03430	14.8
69.07066	12.9
70.06078	9.5
71.04980	4.2
73.02901	3.7
77.02544	2.2
79.05491	100.0
81.03423	38.2
81.06573	3.4
81.07056	60.0
83.04982	18.8
83.08626	9.9
85.02908	19.3
85.06533	3.1
91.05477	83.0
93.07038	73.8
95.04970	35.1
95.08601	33.5
97.02872	10.4
97.06522	10.0
97.10165	4.7
99.04449	3.8
103.05451	2.4
105.07027	58.0
107.04985	11.7
107.08601	26.1
109.02864	8.1
109.06506	10.2
109.10187	10.8
111.04419	2.4
115.05456	5.1
117.07027	23.9
119.08587	35.5
121.06503	6.6
121.10149	10.1
123.04443	2.9
123.08068	8.3
124.00518	2.1
127.03894	5.0
128.06230	7.6
129.05525	3.1
129.06996	32.5
129.07919	3.4
131.04906	3.9
131.08575	17.7
133.06500	8.0
133.10132	14.6
135.08080	3.2
135.11722	4.3
141.07018	7.6
143.08568	19.0
145.06493	8.3
145.10100	13.3
147.08060	6.3
147.11681	37.7
150.81277	2.3
155.08594	5.4
157.06447	6.2
157.10150	7.7
159.08017	8.5
159.11703	7.3
161.09624	5.7
161.13252	16.0
167.08487	5.0
169.10147	5.3
171.08052	7.1
171.11702	36.2
173.04451	6.8
173.09641	3.8
173.13283	4.0
179.08556	2.0
180.38745	2.3
181.10182	5.6
183.11702	3.4
185.05934	2.7
185.09583	3.7
187.11079	2.4
189.12769	16.6
195.07933	2.5
207.13789	35.8
209.13422	2.8
223.14890	3.8
225.14880	4.4
241.15971	4.2
251.14355	4.5
259.16971	4.1
269.15372	10.6
273.15073	3.2
279.15878	2.5
281.17490	54.4
287.16312	16.1
297.15115	3.1
305.17532	2.6
333.17114	2.9
351.18268	3.9
395.57800	2.4
407.20648	4.4
425.21707	6.4
487.30527	36.4
501.31952	3.6
534.01294	2.5
567.33344	4.7
631.34546	10.0
649.35840	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	649.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.3
54.34883	2.1
55.01855	9.3
55.05507	24.0
57.03435	15.1
65.03925	4.6
67.05501	77.0
69.03416	16.1
69.07070	16.3
69.87965	10.5
69.88374	4.8
71.01334	2.3
71.04977	7.6
73.02858	2.6
73.06550	2.3
77.03921	3.8
79.05489	100.0
81.02981	2.7
81.03421	37.7
81.07052	56.2
83.04973	20.7
83.08607	9.4
85.02905	13.0
85.06540	5.5
91.05473	92.3
93.07040	89.1
95.04968	40.0
95.08608	37.4
96.11462	2.0
97.02885	11.6
97.06540	9.8
97.10159	3.5
98.20807	3.5
99.04445	3.1
99.08096	2.5
101.02309	2.6
103.05465	4.3
105.04502	2.5
105.07026	58.9
107.04939	12.9
107.08592	27.7
109.02863	5.9
109.06528	11.4
109.10126	6.9
111.04450	2.2
111.08085	3.5
115.05447	7.0
117.07021	27.2
119.08572	34.0
121.05626	2.0
121.06483	8.8
121.10133	7.6
123.08068	12.7
127.03891	6.9
128.06203	9.1
129.06996	37.6
131.04906	4.9
131.08569	18.7
133.06500	8.1
133.10143	16.0
135.08046	5.9
135.11713	5.4
137.09627	2.8
141.06924	6.2
143.08571	16.9
145.06465	10.5
145.10107	20.5
147.08041	9.3
147.11684	44.0
155.08531	4.3
157.06525	5.5
157.10100	8.0
159.08051	8.0
159.11674	4.9
161.09592	6.8
161.13274	19.4
163.07562	2.8
163.11224	3.0
167.08493	6.0
169.10193	2.7
171.08081	7.3
171.11694	46.7
173.04451	8.4
173.13287	2.9
179.14342	2.7
181.10101	6.3
183.11670	4.2
185.09708	3.5
185.13235	3.0
187.11128	4.2
189.12708	17.2
201.12691	3.3
207.13776	38.7
221.15349	3.7
223.14839	2.9
225.14818	5.9
227.14334	3.9
231.13768	3.3
241.15836	6.0
251.14333	4.8
263.16379	2.9
269.15344	11.2
279.15884	2.9
281.17456	60.9
287.16388	18.6
297.14825	2.7
309.16879	2.3
315.15878	4.5
333.16626	2.6
340.98932	2.2
351.18039	6.3
361.20068	3.5
425.21725	6.9
436.17972	2.3
469.29520	2.9
487.30536	44.1
501.32196	5.0
529.31403	2.4
539.33795	2.9
549.32172	2.5
567.33069	8.0
631.34985	11.0
649.36304	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	649.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27260	0.3
70.28564	1.1
79.05437	0.4
81.03394	0.4
85.02901	1.2
91.05461	0.5
95.01892	0.3
119.01939	0.6
123.04440	0.4
133.03482	0.9
137.05975	0.4
143.05516	0.3
147.04391	1.2
155.01921	0.6
159.05025	0.7
161.02963	0.7
171.05080	0.4
173.02986	1.0
175.04626	0.4
187.08075	0.4
201.06110	0.5
203.05310	1.2
239.11320	0.6
243.14539	1.0
251.11159	3.1
259.07968	1.1
269.12332	7.1
277.08975	0.5
287.13364	4.1
311.13403	0.5
325.14984	5.1
343.16275	0.7
347.09494	1.4
365.10379	1.8
421.13217	1.1
443.22473	5.6
487.21100	24.2
488.20923	0.8
605.27448	1.2
649.26636	100.0
650.27026	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	647.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61392	0.2
53.03963	0.2
55.05530	0.2
63.09212	0.2
67.05491	1.3
69.07059	0.5
72.08155	1.2
79.05495	0.9
80.82947	0.2
81.03432	0.7
81.07056	1.0
83.04998	0.3
90.70924	0.3
91.05503	0.7
93.07046	1.0
95.04966	0.5
95.08608	0.8
105.07030	0.6
107.08554	0.5
109.10159	0.5
111.08109	0.2
117.07038	0.4
117.08956	0.2
119.08585	0.5
121.06488	0.3
121.10192	0.3
125.09683	0.2
127.03907	0.2
131.08597	0.3
133.10139	0.4
145.10139	0.4
157.10258	0.3
161.09647	0.2
173.11781	0.4
175.40694	0.2
185.04225	0.4
203.05322	0.6
206.96921	0.2
215.34674	0.2
243.08380	0.8
275.20053	0.4
383.15421	0.2
429.25961	1.7
447.26160	0.2
485.28531	1.7
619.34766	0.4
641.53143	0.2
647.33972	100.0
648.34290	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	647.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
53.24809	0.3
53.38147	0.3
55.01876	0.5
55.05503	1.4
58.80107	0.3
67.05504	5.3
69.03423	0.9
69.07056	1.2
71.04970	0.5
79.05500	2.1
81.03412	2.4
81.07056	3.6
81.91466	0.4
83.04966	0.9
83.08608	0.9
87.15665	0.4
91.05470	2.7
91.69955	0.4
93.07050	2.2
95.04984	1.0
95.08611	1.5
97.02926	0.9
97.06515	0.8
97.10173	0.5
105.07012	2.4
107.04961	1.0
107.08592	1.1
109.02882	0.5
109.06530	0.6
109.10159	1.9
111.04438	0.7
117.07041	0.9
119.08594	1.6
121.10156	1.2
127.03905	0.7
129.07010	1.0
131.08536	0.9
133.10120	1.2
135.08148	0.4
141.06908	0.4
143.08533	0.4
145.10133	1.3
147.11748	0.6
149.13387	0.4
151.24689	0.4
151.78798	0.4
154.99858	0.3
157.10185	0.5
159.11702	0.8
161.13249	0.5
173.11674	0.4
173.13187	0.5
193.82571	0.4
203.05301	0.5
217.86697	0.3
229.14380	0.4
243.08434	0.8
275.20126	2.5
429.25977	1.6
485.28955	1.7
596.08704	0.4
647.33954	100.0
648.34259	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	646.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01871	1.0
55.05511	8.1
55.64060	0.7
55.96020	0.8
57.03436	10.2
57.07049	1.5
57.95863	0.7
59.11017	0.7
61.02923	2.3
61.19582	0.7
65.03931	1.2
67.05502	30.7
69.07066	9.9
69.32246	8.2
71.01333	1.4
71.04985	3.4
72.08166	1.1
73.02922	0.9
79.05489	21.2
81.03413	3.8
81.06572	1.5
81.07050	29.2
83.04988	4.9
83.08608	5.0
85.02905	3.5
85.06546	3.0
91.05476	9.7
93.07035	35.2
95.04975	2.8
95.08595	7.9
97.02877	2.0
97.06524	7.9
97.10172	4.1
99.08034	0.8
105.07047	4.0
105.07729	0.9
105.92049	0.9
107.04959	1.5
107.08584	20.6
107.09289	1.3
109.06534	1.6
109.10158	3.3
111.08087	3.3
111.80876	0.9
117.07040	3.6
119.08570	4.4
121.10133	8.9
125.09624	1.2
131.08582	2.9
133.10126	3.6
135.11676	22.0
139.11105	0.8
145.05106	1.1
145.10120	2.8
149.02333	1.6
149.13246	10.0
159.11647	4.2
163.11205	2.4
177.12755	2.4
181.12231	3.5
183.16983	0.8
193.04945	2.8
195.13815	4.3
199.13199	0.9
203.46518	0.9
237.07581	1.4
255.15881	35.0
269.17474	26.2
380.72095	0.9
384.38931	0.9
385.09204	1.5
429.11874	5.1
431.27658	1.3
449.28964	100.0
450.29398	2.3
477.30640	0.9
646.31445	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.5
55.01870	12.6
55.05517	59.3
57.03428	15.5
67.05502	88.4
69.07063	29.2
69.27054	4.0
70.21422	4.3
71.04968	6.2
79.05492	69.6
81.07055	82.3
83.04992	18.2
83.08612	36.8
91.05489	43.3
93.07035	74.7
95.04964	100.0
95.08608	74.8
97.06522	9.2
97.10156	19.9
98.20769	10.9
99.00687	5.3
105.07047	45.6
107.04950	8.5
107.08597	60.2
109.06500	8.1
109.10137	30.4
111.04462	21.6
111.08042	6.7
117.07026	14.6
119.08587	38.3
121.06480	8.4
121.10139	34.5
123.08079	8.5
123.11705	4.8
125.09631	18.7
129.09093	4.8
131.08528	29.6
133.10147	22.0
135.08029	6.2
135.11710	18.4
141.65245	4.8
145.10126	32.5
147.08116	8.4
147.11678	13.5
149.09610	26.2
159.11671	11.0
161.13214	7.4
163.11198	22.9
165.12633	5.6
173.13295	9.8
181.12271	5.5
189.11179	18.6
205.12346	7.4
223.13304	61.8
261.22043	13.6
275.20074	77.3
293.21155	58.8
302.21078	4.6
335.25836	77.7
349.23639	10.6
367.24814	41.9
479.34155	4.6
535.40283	5.3
581.61310	5.4
609.44391	11.7
627.46210	57.3
645.26038	45.7
645.46509	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	646.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54973	0.5
53.03943	2.0
55.01868	1.8
55.05505	6.8
55.25328	0.5
56.05027	1.0
57.03439	3.8
57.05815	1.2
57.42423	0.5
64.80929	0.6
65.03925	1.1
67.05499	14.8
69.03421	2.0
69.07060	3.3
69.42291	5.2
70.06582	3.4
71.04993	2.3
72.08149	98.6
77.03930	0.7
79.05486	18.7
81.03412	59.3
81.07049	17.9
83.04980	6.3
83.08609	11.4
85.02901	8.8
85.06549	1.1
90.09190	0.9
91.05471	24.5
93.07038	10.8
95.04966	20.1
95.08592	6.5
97.02900	2.0
97.06528	2.0
97.10159	1.7
103.05472	0.7
105.07021	15.1
107.04952	5.4
107.08588	3.7
109.06520	2.7
109.10138	1.7
111.04445	1.2
111.08086	5.3
113.05980	0.6
115.05454	1.8
117.06988	0.9
119.04958	0.8
119.08569	12.6
121.06517	2.2
121.10130	6.0
123.08057	1.4
123.11681	0.8
125.09606	0.9
127.07578	0.8
128.36899	0.6
129.07008	7.7
131.08559	9.1
133.06473	2.5
133.10138	7.4
137.09625	0.8
142.07776	2.9
145.10143	1.4
147.04439	0.9
147.08052	2.1
147.11687	8.6
149.09630	4.5
157.10123	8.8
163.11235	1.0
165.12752	1.2
167.07118	0.8
170.05763	38.9
175.11188	9.0
177.05450	0.8
193.12227	24.7
203.14096	0.7
211.13251	12.5
234.50854	0.6
249.14853	4.0
267.15854	8.6
285.10147	1.0
285.17047	0.9
327.89133	0.6
367.22672	1.4
377.02209	0.6
385.23660	2.0
459.27386	6.5
477.28445	100.0
478.29272	0.9
577.10730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03936	0.5
55.01866	0.6
57.03423	0.4
65.78757	0.4
68.01102	0.3
69.03420	2.7
69.46462	3.2
71.01375	0.4
71.05000	0.8
73.44984	0.3
79.01852	3.8
79.05492	0.6
81.03416	5.0
81.69839	0.3
85.02904	3.3
91.05466	1.0
95.04984	0.8
97.02888	4.6
99.04449	0.4
101.90977	0.4
103.05444	0.3
107.01318	1.8
107.04944	0.7
109.02888	3.4
111.04446	0.8
115.03925	0.5
115.05426	0.4
117.07006	0.4
119.04909	0.9
122.03636	0.8
123.04446	0.4
125.02333	3.5
127.03930	4.1
129.07039	0.6
131.04910	0.7
137.05971	13.8
143.03389	6.5
147.04376	0.7
149.05988	0.6
151.03935	1.3
151.07561	4.2
153.01825	100.0
153.02773	3.6
154.02122	0.5
157.06519	0.6
161.05945	1.6
163.07552	1.2
167.07004	0.4
167.08534	0.4
171.02887	6.6
174.06625	0.4
175.07573	0.9
177.05418	0.7
177.09088	0.5
179.08536	0.4
187.07582	0.6
189.05528	0.5
189.09106	2.0
191.06982	0.7
191.10851	0.4
193.06425	0.4
195.08228	0.8
195.10139	0.7
203.07039	0.5
207.10178	0.5
209.08116	1.1
213.03960	0.5
217.06583	0.4
217.08626	0.4
219.08109	0.5
219.10185	0.8
221.09676	0.6
225.09036	0.4
227.10623	0.8
249.11247	0.5
250.09892	0.4
253.08705	0.5
253.12180	0.4
255.10165	0.8
261.11246	0.9
265.08554	0.5
269.08133	0.5
277.08600	0.5
279.10117	0.6
281.11749	0.6
285.06107	2.1
285.11230	1.3
287.12817	2.4
297.05972	3.9
297.11142	0.7
299.12946	0.8
309.11240	1.4
311.12827	1.3
313.14392	1.8
315.07010	3.8
325.14386	0.4
330.14432	0.5
331.15344	3.8
335.12469	0.4
337.14090	0.5
341.13864	1.1
343.15381	1.5
355.15182	0.6
377.01718	0.5
377.13574	0.5
395.02747	0.4
397.16367	0.6
403.15463	0.6
421.16306	2.3
439.17343	0.8
457.18301	0.5
483.16391	0.4
578.13184	0.3
616.21283	0.4
645.23474	1.1
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
55.05507	2.1
55.71975	0.5
57.03432	4.2
58.12208	0.5
61.02926	5.1
67.05501	7.9
69.03417	1.1
69.07063	4.8
71.04977	2.3
71.60535	0.9
73.02897	1.6
77.90260	0.6
79.05492	4.9
81.03387	0.8
81.07051	25.4
83.04974	2.5
83.08607	2.9
85.02902	6.9
85.06535	1.4
91.03953	4.5
91.05473	7.5
93.07040	4.6
95.04967	0.5
95.08598	5.7
97.02885	2.3
97.06531	2.0
99.04461	0.5
99.08073	1.8
105.07024	12.5
107.08618	3.4
109.06507	2.8
113.06011	1.0
119.08570	11.2
121.10144	7.1
123.04379	0.7
123.08041	1.4
123.11690	12.7
127.03908	1.4
127.07536	1.4
133.10106	1.1
137.13301	1.0
145.04953	1.8
147.04419	0.7
147.11676	34.2
148.11948	0.6
153.01799	1.2
157.10115	1.5
163.06018	1.4
165.12740	16.4
167.07066	0.9
175.11223	1.6
181.04959	1.0
183.13811	2.0
191.06859	0.6
193.12120	0.6
229.14330	5.0
236.74796	0.6
241.23586	0.6
249.30286	0.6
267.15897	25.2
268.16245	0.5
274.45944	0.5
285.16943	100.0
286.17316	2.2
287.05573	0.7
361.02304	1.1
447.22305	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	643.4566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01863	5.7
55.05256	2.0
55.05508	24.2
57.03437	7.3
57.07072	4.5
63.94172	1.2
65.03939	3.8
67.05499	74.1
69.03430	2.2
69.07065	28.0
71.04983	4.9
71.08624	2.1
77.03912	1.6
79.05486	56.4
81.03438	3.1
81.07052	100.0
83.04977	5.6
83.08611	17.5
85.06538	4.4
91.05470	61.2
92.05811	2.0
93.07038	62.1
95.04964	12.6
95.08605	54.0
95.09232	2.0
97.06526	11.8
97.10160	7.9
98.21496	3.5
99.08092	3.9
103.05443	1.9
105.04517	2.2
105.07022	71.9
106.07333	1.7
107.04939	9.1
107.08593	36.2
109.06517	12.4
109.10151	23.9
111.08086	4.2
113.09674	1.9
115.05451	1.8
117.07006	21.3
119.08577	61.3
120.08902	1.8
121.06479	6.1
121.10136	29.1
123.08056	7.5
123.11726	11.9
125.09635	5.2
128.06155	1.8
129.05499	2.7
129.06990	12.1
130.07779	2.6
131.08553	30.6
133.06494	2.8
133.10123	44.1
135.08066	7.7
135.11682	19.1
137.09598	6.5
137.13193	2.6
139.11089	1.8
141.06966	3.7
142.07761	3.4
143.08516	11.4
145.10109	28.4
147.08009	3.1
147.11684	40.3
149.09587	7.2
149.13245	12.3
151.11189	3.8
155.08560	5.5
157.10121	12.5
159.07990	2.4
159.11685	20.5
161.09650	3.7
161.13246	25.7
163.11186	8.0
163.14835	2.9
165.12775	7.3
167.08577	1.9
169.10164	5.7
171.11667	16.8
173.11810	2.1
173.13234	16.8
175.11183	3.4
175.14783	13.0
177.12733	4.4
179.14326	1.4
181.10127	2.3
183.11690	5.0
185.13239	11.3
187.11115	2.6
187.14771	7.0
189.11182	1.7
189.12772	2.1
189.16396	2.5
191.14397	1.8
193.12267	2.9
195.11664	3.1
197.13205	6.2
199.11186	1.8
199.14766	6.0
201.12654	2.1
201.16522	2.2
203.14401	1.9
211.14841	3.0
213.16409	2.5
215.17963	3.6
217.15854	2.1
217.19508	1.7
225.16696	1.7
229.19542	3.2
231.17360	1.5
231.21060	5.7
239.17973	5.3
241.19530	23.0
243.21086	2.2
247.20627	2.2
257.18994	11.2
259.20566	44.1
261.22183	1.4
273.18542	3.5
275.20041	48.9
276.20447	3.0
277.21503	4.7
289.21490	1.4
291.19455	3.8
293.21063	8.8
315.23120	5.6
323.27744	1.4
333.24213	44.7
335.25803	4.0
349.23724	9.0
351.25226	5.5
365.23465	2.3
367.24750	23.2
489.35855	1.8
501.35620	2.0
513.35779	2.0
515.38037	5.4
527.37604	3.0
533.39667	4.6
545.38055	5.7
551.40796	4.3
569.41986	1.7
607.43396	10.5
625.44611	19.9
638.01642	1.5
643.45544	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	643.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20868	0.9
53.03928	7.0
55.01865	10.6
55.05260	2.3
55.05505	28.3
55.60905	1.1
57.03423	9.4
57.07066	3.6
62.83389	1.0
65.03938	3.5
67.05496	70.2
67.97384	1.3
69.03419	2.8
69.07063	26.4
70.01734	2.3
70.02127	2.7
71.04991	6.8
71.08613	1.7
77.03911	1.2
79.05485	62.7
80.05807	1.5
81.03414	4.3
81.07048	100.0
82.07355	1.4
83.04987	8.9
83.08613	17.2
85.06521	5.3
89.74310	1.0
91.05468	60.1
93.07031	62.8
95.04955	17.0
95.08593	49.4
96.08913	1.4
97.06512	14.2
97.10166	6.3
99.08070	3.6
105.07021	57.3
107.04931	9.4
107.07857	2.1
107.08580	37.7
109.06511	9.7
109.10149	20.8
111.04425	2.3
111.08064	8.1
115.05484	1.6
117.06998	19.1
119.08566	48.3
121.06513	4.6
121.10127	26.9
123.08051	11.7
123.11691	8.3
125.09598	6.3
127.07516	1.3
128.06242	2.5
129.06996	8.8
130.07732	1.8
131.08556	28.9
132.08849	1.4
133.06485	2.0
133.10112	38.2
135.08017	6.0
135.11656	16.4
137.09613	4.5
139.11154	2.8
141.06960	2.7
142.07773	2.4
143.08537	12.0
145.06427	2.0
145.10101	28.7
147.08055	5.2
147.11664	30.4
148.12111	1.4
149.09607	11.3
149.13237	12.7
151.11154	4.9
153.12737	2.7
155.08525	4.2
157.10104	12.1
159.11673	19.6
161.09631	4.0
161.13228	18.7
163.11148	8.1
163.14821	4.0
165.12729	4.1
167.08566	1.8
167.10670	1.2
169.10123	7.1
171.11658	10.4
173.09647	1.6
173.13206	12.0
175.11192	4.3
175.14813	11.2
177.12729	2.8
179.14308	3.3
181.10065	1.4
183.11691	7.1
185.13287	7.5
187.11195	2.4
187.14838	5.7
189.11168	2.4
189.12770	1.6
189.16353	2.3
191.10585	2.3
193.12143	1.5
195.11673	2.2
195.13814	1.3
197.13266	3.7
199.14789	3.8
201.16383	2.7
203.14304	3.1
205.15889	1.3
207.11766	1.2
209.13252	3.0
211.14894	2.8
213.16370	2.5
215.17905	2.0
217.19440	2.0
221.13344	2.1
221.15443	1.3
223.13048	2.1
223.14981	2.3
227.12636	2.5
227.18001	1.5
229.19493	1.9
231.17320	1.9
231.21086	3.8
239.17870	3.4
241.19501	20.2
243.20930	2.6
247.20584	3.0
251.17747	1.6
257.18954	7.8
259.20551	28.4
261.22134	3.0
262.47409	1.2
263.20035	2.0
267.15994	2.4
269.17429	2.4
273.18582	8.0
275.20032	32.0
276.20517	2.0
277.21545	7.2
289.21658	5.2
291.19434	9.9
293.21100	4.7
297.22205	1.4
315.23093	4.6
331.22498	1.6
333.24167	31.2
335.25769	11.5
337.09970	1.2
349.23749	8.8
351.25253	2.5
359.72333	1.4
365.23151	5.2
367.24713	12.1
426.16769	2.3
439.14032	1.4
441.19250	3.8
453.15445	2.1
454.16370	1.8
469.18738	6.0
481.14691	2.8
487.34348	2.3
489.35458	2.6
496.17099	3.2
501.35574	4.0
503.37384	2.6
513.35822	2.3
515.37494	3.9
527.37177	4.7
533.40039	2.8
543.37659	1.8
545.38428	8.9
551.40637	3.6
555.21875	2.5
567.41260	1.9
583.21802	24.2
584.21857	4.5
595.44141	1.2
597.45306	1.5
607.43671	10.4
615.24463	1.4
625.44501	26.3
643.23871	12.6
643.45825	11.8
644.23792	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	643.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
53.06817	0.9
55.01652	1.0
55.01871	10.7
55.05509	29.2
57.03433	7.6
57.07066	2.7
65.03931	3.7
67.05501	60.3
68.91753	0.9
69.03420	3.6
69.07063	19.2
71.04985	4.5
71.08602	1.4
77.03900	1.0
79.05489	58.4
81.03400	8.7
81.07053	100.0
83.04976	16.4
83.08617	14.1
85.02905	4.7
85.06535	2.7
91.05474	34.3
93.07040	52.6
94.04181	1.0
95.04961	19.2
95.08599	33.2
97.02866	1.3
97.06549	9.3
97.10169	17.1
99.04442	3.2
99.08095	3.0
105.04507	1.2
105.07027	25.8
107.04955	5.4
107.08587	31.8
109.06512	8.3
109.10146	18.4
111.04436	18.5
111.08072	9.0
113.05966	1.1
115.05450	1.0
117.07014	11.2
119.08574	26.0
121.06514	8.1
121.10141	21.0
123.08065	26.2
123.11696	4.8
125.06026	1.6
125.09631	14.5
128.06142	1.0
129.05498	1.5
129.07005	5.9
130.07770	1.6
131.04858	1.0
131.08559	16.8
133.06490	1.5
133.10107	13.6
135.08080	5.3
135.11685	15.9
137.09618	4.4
139.07576	0.9
139.11200	1.5
143.08586	5.1
143.10655	1.1
145.06410	1.2
145.10115	17.2
147.08057	7.4
147.11685	7.3
149.09634	4.8
149.13263	4.8
151.11124	1.0
153.09102	2.9
153.12733	9.1
155.08521	2.4
157.10135	3.4
159.08115	1.4
159.11681	7.5
161.09636	3.4
161.13245	2.7
163.11162	16.2
163.14813	1.3
165.09076	4.5
165.12715	1.5
169.10118	1.5
171.10182	1.8
171.11673	4.1
173.09644	2.7
173.13287	3.1
175.11147	2.1
175.14789	1.6
177.12766	1.8
179.14365	1.2
181.12234	10.9
183.11667	1.0
185.13239	2.5
187.14879	2.0
189.11217	20.2
189.12862	1.7
191.10654	8.2
193.12270	3.4
195.11711	1.1
197.13260	1.0
199.11211	1.6
199.14774	0.9
201.16406	0.8
207.11769	0.9
209.11710	2.7
211.13158	1.2
213.16417	1.4
217.19701	1.0
223.13182	6.3
223.92421	0.9
227.12747	17.2
227.17862	1.6
243.21037	1.3
245.18951	2.0
249.15065	1.3
255.17490	2.0
259.20447	2.0
261.22034	4.1
273.18478	20.3
275.20026	1.9
283.15399	2.9
291.19516	56.7
292.19955	1.4
309.20633	4.1
333.24121	1.6
335.25760	27.1
336.26028	1.1
347.22171	2.3
365.23209	14.5
365.27487	1.8
513.17932	1.6
515.37085	1.3
543.36652	1.1
551.41010	1.5
607.43884	1.9
615.24280	1.5
625.44556	16.1
626.45007	1.0
643.23694	4.3
643.35449	1.3
643.45685	20.1
644.45856	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.3
53.03928	3.5
55.01869	11.3
55.05263	1.7
55.05507	22.0
57.03434	27.4
57.07057	3.6
59.05000	1.1
65.03921	4.2
67.05500	95.3
69.03432	2.5
69.07061	17.4
71.04981	4.3
71.08602	1.1
71.80009	1.1
73.22469	1.0
77.03890	1.1
79.05490	55.8
79.05960	2.7
81.03396	3.1
81.07050	70.1
83.04966	4.4
83.08610	7.6
85.06536	15.9
91.05473	46.8
91.05899	0.8
93.07038	50.5
95.04963	62.3
95.08601	48.0
95.09116	0.7
95.09232	1.7
96.78907	1.2
97.06521	7.3
97.10146	4.8
98.21590	2.1
99.08085	2.2
103.05474	2.0
105.07027	31.3
107.04948	11.0
107.07859	1.8
107.08586	31.8
109.06508	73.2
109.10139	16.2
111.04439	1.4
111.08066	3.5
113.05992	37.6
115.05427	1.8
117.07001	14.0
119.04936	1.2
119.08574	22.1
121.06499	6.3
121.10137	15.6
123.08074	5.8
123.11687	3.9
125.09631	2.5
125.11212	1.2
128.06247	1.8
129.06995	9.8
130.07831	1.3
131.04813	1.2
131.08554	24.0
133.06454	3.3
133.10114	15.7
135.08049	49.6
135.11691	14.5
137.05981	1.8
137.09589	2.4
139.11172	1.1
141.06982	1.8
143.08536	10.6
145.06508	1.0
145.10114	16.0
147.08015	7.6
147.11691	6.7
149.09612	6.0
149.13252	5.9
149.39995	1.0
151.11177	2.1
155.08592	1.4
157.10135	8.1
158.68634	1.2
159.08072	3.2
159.11705	10.0
161.09601	9.2
161.13245	5.1
162.02612	1.1
163.11143	4.8
165.09097	1.4
165.12762	1.6
169.10153	2.9
171.11633	3.6
173.13290	6.0
175.11162	4.6
175.14725	1.6
177.12721	3.3
178.21794	1.2
179.14339	2.6
183.11655	3.0
185.13237	3.9
187.11180	1.7
187.14856	2.2
189.11179	1.7
189.12706	1.4
195.11652	3.1
195.13805	2.3
199.11041	1.5
199.14850	5.1
201.12733	2.7
217.15845	13.8
217.46774	1.1
219.13770	1.3
227.17935	2.3
227.52397	1.2
237.16379	1.5
245.18948	3.8
255.17424	4.2
255.67104	1.2
259.20621	1.2
261.22086	1.9
273.18475	41.8
275.19998	2.6
291.19522	100.0
292.19742	2.1
309.20865	1.3
333.24252	1.5
335.25781	91.1
347.22266	6.8
349.23596	2.2
365.23288	13.1
367.24771	2.0
545.37921	2.1
607.43579	6.0
625.44629	31.6
643.45245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16304	0.8
53.03939	5.2
53.04155	0.7
55.01618	1.0
55.01867	12.2
55.05510	28.4
57.03438	6.8
57.07062	2.1
59.04999	1.0
65.03939	4.9
67.05501	59.6
69.03410	3.1
69.07062	19.1
69.46304	7.6
71.04983	4.6
72.18988	0.8
79.05489	59.2
81.03407	6.3
81.07053	100.0
83.04977	15.8
83.08610	14.2
85.02902	4.8
85.06519	2.5
91.05476	31.1
92.05785	1.0
93.07040	55.0
95.04966	21.2
95.08602	38.9
97.06538	6.5
97.10165	16.9
98.21492	1.0
99.04436	3.8
99.08092	2.4
103.05502	1.4
105.04507	1.5
105.07021	25.6
107.04930	6.5
107.07860	1.5
107.08588	30.3
108.08896	1.1
108.36423	0.8
109.06528	7.6
109.10149	15.9
111.04436	18.1
111.08080	7.5
113.06007	0.9
115.05437	1.5
117.07003	11.1
119.07782	1.6
119.08572	21.4
121.06507	8.1
121.10140	22.5
123.08064	24.1
123.11666	3.4
125.05984	1.8
125.09633	16.0
129.07025	4.3
130.07768	1.0
130.76839	0.9
131.08577	15.3
133.06477	1.9
133.10117	12.0
135.08032	6.5
135.11674	15.5
137.09607	4.2
139.11182	1.6
142.07755	1.2
143.08560	4.7
143.10686	1.4
145.06499	1.2
145.10106	13.8
147.08038	6.2
147.11690	7.4
149.09605	4.7
149.13246	4.6
151.11172	1.4
153.09074	3.4
153.12741	8.7
155.08548	2.6
157.10136	4.6
159.08029	1.5
159.11702	7.0
159.87222	0.9
161.09636	4.5
161.13248	3.5
163.11177	15.8
163.14789	1.7
165.09044	5.3
165.12715	1.0
167.08650	1.0
169.10130	2.0
169.12268	1.0
171.11667	2.7
173.09584	3.2
173.13239	3.2
175.11182	2.0
175.14795	1.6
177.12692	1.0
181.12221	11.1
183.11737	1.2
185.09619	0.8
185.11728	1.0
185.13278	3.2
187.14807	2.0
189.11209	18.0
191.10658	10.3
193.12166	1.8
195.11610	1.5
197.13185	1.4
205.12206	1.4
207.13899	1.0
209.11708	2.1
223.13266	6.1
227.12755	15.4
227.17856	1.2
237.16527	1.0
245.19138	2.0
255.17435	2.2
261.22113	4.6
263.20108	1.6
273.18494	21.6
283.15411	4.0
291.19522	53.9
292.19843	2.0
309.20493	2.4
333.24216	0.9
335.25790	42.3
347.22183	3.1
365.23209	16.0
505.35287	1.3
515.37488	1.0
533.39728	1.4
545.38190	1.1
551.40863	1.1
607.43250	2.8
625.44598	19.6
626.44806	1.4
643.35791	1.1
643.45673	19.6
644.45129	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.1
53.03936	2.8
55.01868	10.3
55.05256	1.5
55.05507	17.1
57.03432	17.5
65.03924	4.6
67.05501	58.0
69.03423	3.0
69.07070	11.3
70.19556	1.1
71.04984	2.9
71.09978	2.5
75.77619	1.0
77.50017	0.9
79.05487	43.9
81.03400	4.0
81.07052	65.8
83.04974	6.0
83.08630	7.8
85.02898	1.9
85.06535	9.0
87.70818	1.0
91.05477	30.6
93.07038	36.1
95.04964	38.8
95.08046	2.1
95.08604	28.6
97.06551	6.5
97.10162	2.8
103.05443	1.6
105.07025	22.3
107.04951	7.3
107.08593	21.0
109.06512	53.9
109.10143	11.8
111.04424	4.1
111.08071	3.0
113.05997	21.2
115.05467	3.0
116.06236	1.3
117.07003	13.2
119.08575	19.6
121.06490	5.6
121.10135	12.9
123.08089	5.1
123.11690	2.3
125.09601	3.6
128.06236	1.6
129.06998	6.2
130.07755	2.0
131.08559	15.2
133.06488	2.8
133.10117	9.8
135.08051	33.5
135.11652	8.0
137.09576	1.2
140.74815	1.0
143.08542	6.3
145.06561	1.7
145.10126	12.0
147.08026	6.6
147.11653	4.5
149.09567	6.6
149.13254	3.6
153.12775	1.4
153.96036	1.0
155.08508	1.6
157.10133	6.4
159.08057	2.0
159.11700	8.2
161.09648	6.2
161.13200	1.9
163.11195	4.4
171.11661	3.4
173.09679	1.3
173.13255	3.1
175.11244	2.0
177.12712	2.7
179.14348	1.5
183.11713	1.8
185.13225	2.8
187.11220	1.5
187.14822	1.4
189.11201	1.9
189.12729	1.4
191.14172	1.2
195.11745	1.1
195.13705	1.3
199.14761	2.8
201.12767	2.2
205.12187	1.2
217.15852	11.6
223.13383	1.7
227.12711	1.3
227.17853	1.8
237.16403	1.4
245.19043	1.9
249.14774	1.7
255.17453	4.1
261.22061	2.0
273.18484	37.6
275.20053	1.8
284.03754	1.0
291.19522	100.0
292.19830	2.6
309.20767	1.3
335.25778	50.5
336.26007	1.7
347.22144	7.6
365.23242	9.9
607.43372	4.7
625.44696	26.8
643.46338	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23909	1.1
53.03941	3.3
54.79970	1.1
55.01867	11.4
55.05503	17.0
57.03432	20.7
57.07061	2.1
63.18351	0.9
65.03931	4.9
67.05499	73.3
67.83201	1.0
69.03422	3.2
69.07061	15.1
69.25370	6.3
69.25800	6.0
71.04980	2.0
79.05486	44.4
79.05954	2.1
81.03412	3.8
81.07050	47.2
83.04967	3.7
83.08608	7.5
85.06532	15.4
91.05473	37.3
93.07033	43.0
95.04959	54.2
95.08599	34.6
97.06510	5.3
97.10165	4.1
99.08081	1.8
103.05465	1.3
105.04455	1.3
105.07021	28.5
107.04956	8.9
107.08583	25.5
109.06507	68.6
109.10141	11.6
111.08047	2.7
113.05994	34.5
113.06772	1.7
115.05456	2.0
116.54774	1.0
117.07005	13.1
119.08577	15.7
121.06499	6.7
121.10141	12.7
123.08067	5.1
123.11720	1.7
124.17541	1.0
125.09625	3.0
128.06247	2.5
129.06978	9.8
130.07831	1.5
131.08557	21.1
133.06479	3.1
133.10121	13.0
135.08047	54.1
135.11667	9.4
137.09636	3.3
141.06963	1.8
142.07771	1.5
143.08514	7.1
145.06506	1.9
145.10109	12.2
147.08028	7.5
147.11682	5.0
149.09598	5.8
149.13272	3.7
151.11253	1.5
155.08528	2.0
157.10043	6.8
159.08058	2.3
159.11655	7.8
161.09630	8.4
161.13176	2.0
163.11177	4.4
169.10078	2.0
171.11678	5.6
173.13327	3.6
175.11189	3.0
175.14807	1.2
177.12772	4.2
179.14307	1.4
181.10205	1.6
183.11707	1.5
185.13176	1.9
187.11211	1.8
187.14861	1.4
189.11066	1.5
189.16371	1.4
195.13753	1.3
199.11217	1.8
199.14815	3.1
201.12714	3.1
217.15846	17.2
219.13936	1.3
227.17928	2.6
229.15979	1.1
237.16406	1.3
245.19037	2.2
255.17416	4.1
261.22186	1.8
273.18466	34.5
273.64539	1.3
275.20105	3.6
277.21646	1.7
291.19507	100.0
309.20758	1.4
333.23856	1.4
335.25757	36.1
347.22238	6.8
365.23160	8.3
515.38275	1.4
545.38025	1.7
585.66284	1.2
607.43512	4.1
625.44586	24.8
637.49890	1.3
643.27844	3.6
643.45093	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	643.252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.4
67.05502	1.0
69.07072	0.6
70.27493	0.8
70.27886	0.7
79.05476	0.8
81.07060	0.8
86.41866	0.4
91.05479	0.7
93.07007	0.5
95.08626	0.6
107.08652	0.5
118.10672	0.4
125.83733	0.4
143.58951	0.5
145.14473	0.4
227.48271	0.5
251.39729	0.4
368.24472	0.4
643.25226	100.0
644.25635	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.6
53.03935	3.6
55.01871	4.9
55.05508	22.4
57.03437	10.3
57.07058	2.9
59.79616	0.7
64.84913	0.7
65.03922	2.4
65.82439	0.7
67.05501	56.2
69.03420	2.0
69.07062	24.4
69.07378	0.4
69.07446	0.8
69.25294	1.6
69.25702	7.6
70.07389	0.8
71.04991	5.7
77.03907	0.9
79.05488	57.2
81.03409	3.3
81.07051	100.0
83.04969	6.8
83.08615	14.4
85.06528	4.4
91.05475	58.1
91.05924	1.0
91.06062	1.2
92.05807	1.1
93.07040	53.0
94.07387	0.8
95.04962	12.2
95.08600	37.7
97.06526	10.4
97.10156	3.0
99.08098	4.5
103.05466	2.3
105.07023	65.2
107.04949	7.8
107.08587	34.9
109.06504	17.2
109.10149	13.4
111.08067	4.5
113.09612	1.2
115.05444	1.9
116.06272	0.9
117.07008	16.0
118.07822	0.8
119.08572	56.6
120.08907	0.8
121.06496	2.8
121.10133	27.6
123.04453	0.7
123.08077	9.1
123.11705	8.6
125.09598	2.4
128.06195	2.2
129.05499	1.1
129.06993	8.2
130.07832	1.1
131.08556	24.9
133.06485	1.7
133.10123	40.8
135.08054	5.9
135.11681	15.0
137.09627	5.1
137.13228	1.5
139.11174	1.8
141.06955	1.9
141.32974	0.7
142.07819	1.9
143.08546	8.1
144.09352	1.2
145.06462	1.0
145.09018	1.6
145.10114	22.1
146.10629	0.8
147.08037	3.5
147.11676	46.1
149.09608	7.0
149.13240	11.6
151.11162	2.9
153.31145	0.9
155.08553	2.1
157.10129	11.3
159.08112	1.2
159.11679	17.7
161.09631	2.5
161.13248	26.3
161.14587	1.4
163.11145	6.4
163.14778	5.3
165.12743	6.5
167.10689	0.8
169.10112	3.2
171.11659	11.0
173.09573	1.5
173.13242	11.8
175.11252	4.5
175.14807	13.9
177.12698	3.8
178.07690	0.9
179.14304	1.6
181.10104	0.9
183.11655	2.6
184.12469	1.1
185.13240	9.4
187.11143	1.9
187.14833	6.1
189.12729	2.6
189.16310	1.5
191.14282	1.6
193.10136	0.9
193.12225	2.5
195.11670	0.9
195.13765	1.4
197.13287	2.3
199.14801	5.2
201.12770	2.0
201.16310	2.0
203.14334	1.6
211.14835	1.1
213.16374	3.6
215.17885	2.2
217.15855	1.9
217.19530	1.5
219.13741	1.4
219.17226	0.9
229.19478	2.4
231.17599	0.8
231.21069	5.5
239.17963	2.9
241.19499	29.1
243.21011	1.2
245.19072	0.8
247.20601	2.6
257.19009	8.5
259.20572	48.1
261.22000	1.0
273.18539	2.0
275.20044	36.7
276.20245	1.6
277.21585	3.4
291.19550	1.9
293.21097	9.7
297.22079	1.7
315.23206	6.1
331.22620	0.9
333.24203	47.4
335.25818	2.8
349.23700	7.3
351.25195	3.1
367.24753	23.5
515.38123	2.6
533.39703	2.8
551.41394	3.8
575.26959	0.8
607.43719	6.0
625.44458	14.5
643.46118	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	643.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.5
55.01796	0.6
55.05417	1.5
57.03358	0.9
57.56934	0.5
62.76885	0.5
67.05398	3.8
67.05788	0.6
68.18696	0.5
69.03345	0.5
69.06964	1.4
71.04922	0.7
71.05260	0.5
71.51181	1.1
79.05369	3.7
81.06931	4.9
82.26456	0.5
83.04867	0.7
83.08521	0.8
91.05353	4.1
93.06911	3.7
95.04834	1.4
95.08480	3.5
95.64371	0.5
97.06451	0.8
97.10049	0.4
99.07935	0.5
105.06892	3.4
107.04858	0.7
107.08436	2.9
109.06422	1.0
109.10010	1.6
114.14956	0.4
117.06861	1.5
119.08567	3.1
121.09995	1.9
123.07970	0.7
123.11598	0.6
129.06859	1.0
131.08420	1.7
133.09956	2.1
135.07874	0.7
135.11621	0.9
139.11043	0.5
143.08438	0.6
145.09976	1.7
147.11549	1.0
149.09489	0.8
149.13043	0.5
157.10007	1.0
159.11496	1.1
161.09488	0.9
161.13091	0.7
171.11555	1.0
173.13202	0.8
199.14648	0.5
217.15742	0.9
219.17215	0.5
255.17480	0.5
273.18353	1.5
275.19931	1.2
276.20435	1.1
291.19406	1.1
304.36954	0.5
335.25772	0.9
396.12372	0.6
397.12851	1.6
410.13525	1.6
411.14410	4.1
412.15576	2.8
413.16092	1.2
423.14563	0.9
424.15259	1.8
425.16223	8.7
426.16815	6.2
427.17477	0.6
438.13019	2.3
439.13364	7.7
440.13309	1.0
440.19214	2.4
441.19269	24.7
442.19604	1.8
450.12943	0.7
451.13541	0.7
452.14130	2.9
453.15326	9.7
454.16287	2.0
463.13843	1.1
467.17151	18.9
468.17941	9.2
469.18668	10.7
472.17343	0.8
481.14828	12.9
482.15350	3.0
483.16629	0.8
485.18164	1.1
495.16409	0.9
496.17245	9.1
497.17749	1.6
498.18259	0.8
508.19412	0.9
509.18295	1.4
514.22021	1.7
523.19696	0.8
527.23193	1.1
542.21771	1.2
545.38202	0.9
555.22333	21.2
556.22150	0.9
583.21838	100.0
584.22162	6.4
587.24890	0.8
593.26501	1.1
611.20929	1.0
615.24390	7.2
616.24561	0.6
625.29437	2.0
625.43970	1.9
643.23889	22.0
643.45135	2.1
644.23975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	0.5
55.05441	0.8
55.05677	0.4
55.88622	0.3
59.38307	0.3
67.05419	1.3
69.07011	0.7
69.46363	2.6
79.05400	1.0
81.06960	1.4
83.08528	0.3
87.00430	0.3
91.05389	0.9
93.06967	0.8
95.08527	0.8
97.06422	0.3
97.10046	0.4
103.22940	0.3
105.06956	0.6
107.08528	0.6
109.06454	0.6
109.10086	0.4
119.08490	0.7
120.20802	0.3
121.10043	0.4
122.55236	0.3
131.08444	0.5
133.10051	0.4
145.10023	0.4
147.11601	0.6
159.11671	0.3
268.96036	0.3
275.19992	0.6
291.19537	0.4
293.21075	0.3
335.30579	0.3
396.12350	0.7
397.12790	2.0
398.13800	0.8
399.14075	0.4
409.12997	0.7
410.13763	2.6
411.14478	6.3
412.15289	3.5
413.15952	1.8
414.16479	0.4
423.14856	2.4
424.10773	1.0
424.16214	2.4
425.16278	11.6
426.16870	8.6
427.17682	2.2
428.18665	1.7
437.11526	0.6
437.16568	0.9
438.13058	2.5
438.17453	1.3
439.13586	15.8
440.18970	5.3
441.19269	37.6
442.13501	0.4
442.19647	2.2
443.17145	0.4
451.13907	0.6
451.18100	0.3
452.14209	2.7
453.15332	16.3
454.15808	3.7
456.17920	0.5
457.14932	0.8
463.14069	1.1
465.15805	0.7
466.11935	0.4
467.17163	25.6
468.17889	14.7
469.18866	10.2
471.16418	0.9
472.17612	0.5
478.16174	0.4
480.17554	1.2
481.14764	13.1
482.15082	2.8
485.18219	1.3
486.18732	0.9
494.17868	0.6
495.16827	2.4
495.21661	0.5
496.17197	10.7
497.17877	2.5
498.18784	0.6
499.15277	0.7
499.19965	1.0
508.19257	0.6
509.18127	2.7
512.20508	1.5
513.21863	0.4
514.22791	2.2
523.19611	1.3
524.20660	0.4
527.23334	2.5
528.23633	0.4
537.19629	0.4
539.19116	0.7
540.20111	1.0
541.21326	0.5
542.21753	1.1
545.23785	0.5
545.38379	0.4
551.19092	0.4
555.22382	35.3
556.22479	1.5
568.19366	0.5
583.21869	100.0
584.22156	4.8
586.20624	0.5
587.25348	2.4
611.21704	1.8
614.23438	1.0
615.24426	14.7
616.25031	0.5
625.44550	0.4
643.23920	63.8
644.24286	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	643.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.5
61.05837	0.3
67.05502	1.9
69.03407	1.2
69.07034	0.4
69.40870	1.1
69.41294	2.2
71.04964	0.6
74.75055	0.4
77.38849	0.4
79.01828	1.9
79.05472	1.2
81.03415	4.1
81.07062	1.8
82.03766	0.5
83.01331	0.6
85.02892	1.2
91.05460	1.5
93.07017	1.4
95.04949	0.9
95.08609	0.9
97.02879	1.9
97.06528	0.5
99.04425	0.4
101.14890	0.3
103.37559	0.3
105.07010	1.0
107.01293	0.5
107.04936	1.1
107.08623	0.4
109.02880	2.4
109.06494	0.4
109.10147	0.5
111.04479	0.4
119.04919	1.0
119.08537	0.8
121.06477	1.1
121.10152	0.5
123.04412	2.7
123.08046	0.7
125.02319	1.2
125.05967	1.5
127.03893	1.8
133.10153	0.8
135.08058	0.6
137.05937	1.2
138.06731	0.9
139.07518	0.6
143.03352	2.5
147.04382	1.8
149.05908	0.6
151.03902	0.5
151.07602	0.9
151.25615	0.4
153.01819	44.0
153.05428	5.9
153.09047	0.7
165.05482	0.7
166.06232	1.3
167.07018	1.4
171.02849	3.3
175.11078	0.4
177.05450	0.8
179.07059	2.0
181.04933	3.3
181.08614	0.5
191.06926	0.6
193.04996	0.6
194.05724	3.4
195.06500	1.4
209.08076	100.0
210.08420	1.2
212.06781	1.7
267.08896	0.6
285.09955	0.8
297.06021	3.9
300.08038	0.5
307.34189	0.4
315.07101	1.2
329.13812	50.0
330.14212	0.8
417.15213	0.6
433.58060	0.4
491.19205	1.0
643.22675	0.4
643.33533	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91638	0.5
53.03934	1.5
55.01859	1.8
55.05296	0.5
55.05510	6.1
56.05835	0.6
57.03424	1.8
57.07066	0.7
61.02910	2.3
61.76846	0.5
65.03930	0.7
67.05500	19.7
68.05837	0.7
69.03436	1.3
69.07069	7.3
69.55287	2.7
71.04975	1.3
73.02905	0.5
76.45752	0.5
79.05492	15.0
80.05837	0.8
81.03403	2.2
81.07055	19.0
82.07392	1.2
82.20231	0.5
83.04992	2.6
83.08623	3.1
85.02902	1.8
85.06519	0.9
87.56927	0.5
90.35103	0.6
91.03954	1.1
91.05476	19.6
92.05813	1.1
93.07035	17.7
94.07324	0.9
95.04972	4.5
95.08035	1.0
95.08598	11.6
97.02863	0.9
97.06520	4.5
97.10184	1.5
99.08057	0.8
103.05444	1.3
105.07025	18.3
106.07322	1.2
107.04927	2.0
107.08588	8.3
109.06507	1.9
109.10144	5.8
111.08073	1.0
115.05444	0.8
116.06223	0.6
117.07014	8.1
119.04960	0.9
119.08581	12.0
121.06494	2.5
121.10119	5.4
123.08069	1.1
123.11725	1.0
125.09627	0.9
127.03911	0.7
129.07002	6.0
131.08559	16.5
133.06522	1.1
133.10135	8.6
134.10503	1.0
135.08046	2.2
135.11670	2.8
137.09619	1.3
141.06995	2.4
143.08536	7.0
145.06429	1.1
145.10115	10.0
146.10527	0.7
147.08038	1.6
147.11673	3.5
149.09648	3.0
149.13232	1.4
151.11183	1.1
152.13452	0.5
154.07655	0.8
155.08533	3.3
157.10132	4.5
159.08049	0.9
159.11700	4.4
161.09596	0.8
161.13248	1.4
163.11212	1.4
167.08598	0.7
168.09282	0.8
169.10158	3.0
171.11687	3.2
173.11928	0.6
173.13277	2.1
175.11160	0.7
175.14799	0.7
177.12744	0.8
179.14288	1.3
181.10143	1.3
183.11700	2.4
185.09613	0.5
185.13257	2.5
187.11151	0.8
187.14812	1.7
195.11700	2.0
197.13252	1.3
199.11172	0.7
199.14824	1.5
201.12781	0.6
209.13350	1.5
211.14856	1.3
223.14874	1.1
227.14413	1.0
231.17422	0.6
247.16902	1.2
255.17622	1.0
257.19055	0.7
259.16812	0.7
261.18588	1.0
269.17374	0.6
275.19922	3.6
276.20358	3.1
291.19675	0.5
305.83063	0.6
325.25119	1.1
343.26529	1.4
349.23715	1.1
350.24030	1.5
353.24768	4.1
371.25800	6.0
389.26788	5.4
445.29483	100.0
446.29883	3.8
463.30557	20.6
464.30984	0.7
544.36987	2.3
624.43152	1.4
642.28943	0.7
642.44165	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	642.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47237	0.8
51.87833	0.7
53.03936	1.7
55.01863	2.8
55.05511	7.2
57.03432	1.7
57.07085	0.7
61.02937	1.7
65.03926	1.4
67.05503	20.0
68.05840	0.8
69.03409	0.9
69.07064	8.6
69.24766	2.9
69.25200	5.3
71.04987	1.7
72.08157	4.6
77.91114	0.8
79.05052	1.3
79.05490	17.1
81.03404	2.3
81.07057	19.0
82.07366	1.2
83.04991	1.7
83.08627	4.3
85.02884	2.5
85.06541	1.8
91.03952	0.9
91.05483	19.3
93.07048	17.7
95.04984	3.5
95.08598	12.2
96.87776	0.6
97.02863	0.8
97.06527	3.3
97.10180	2.1
99.08077	0.9
103.05488	0.7
105.07025	22.6
106.07331	1.5
107.04957	2.8
107.08585	9.8
109.06518	3.4
109.10140	6.0
111.08099	1.3
117.07020	10.0
119.08578	13.8
121.06513	2.3
121.10144	6.6
123.08034	1.1
123.11745	1.6
125.09666	1.2
128.06252	1.3
129.07025	5.8
131.08568	14.9
133.06461	1.2
133.10121	8.4
135.08073	1.5
135.11691	3.0
137.09586	1.3
141.06995	2.4
142.07787	0.9
143.08548	6.7
145.06503	0.9
145.10133	10.2
147.08028	2.0
147.11682	3.8
148.12042	1.1
149.09613	2.5
149.13280	1.4
155.08574	3.8
157.10104	5.4
159.08171	0.9
159.11714	6.4
161.09612	1.3
161.13258	2.0
163.11195	0.7
167.08542	1.1
169.10103	3.6
171.11661	4.8
173.11903	0.7
173.13274	2.6
177.12704	0.8
181.10104	1.6
183.11752	2.0
185.13271	2.9
187.14810	1.1
189.12755	1.3
195.11693	1.3
197.13246	2.0
199.14838	1.0
201.16182	1.0
209.13264	1.4
209.62469	0.8
211.14734	1.9
213.16377	0.8
223.14847	1.3
247.16888	1.4
259.16934	1.2
261.18472	1.4
264.70291	0.8
275.20255	3.5
276.20450	2.1
294.44644	0.8
325.25323	1.1
335.23535	0.8
343.26309	1.7
350.24017	1.4
353.24695	5.0
371.25793	5.0
389.26816	5.2
433.24747	0.8
445.29480	100.0
446.29770	3.8
462.20786	0.8
463.30524	31.0
544.36926	1.0
582.28033	1.0
610.45422	0.8
632.63367	0.9
642.29437	2.8
642.45270	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69591	2.9
53.03942	7.4
54.71814	2.8
55.01866	21.6
55.05264	5.3
55.05508	67.0
57.03447	13.8
57.07064	7.6
60.82381	2.7
65.03915	3.6
67.05501	100.0
68.05843	3.7
69.03413	9.5
69.06718	4.0
69.07064	55.1
69.25854	30.7
71.04984	7.9
71.08551	2.4
78.69798	3.0
79.05486	87.9
81.03419	9.9
81.07052	99.9
82.07378	3.1
83.04980	14.6
83.08617	33.9
85.02887	3.3
85.06524	6.7
91.05474	86.8
92.05731	3.1
92.88245	2.6
93.07033	71.6
93.98405	3.0
94.53384	2.7
95.04980	18.7
95.08042	4.8
95.08607	57.6
96.45143	2.5
97.02896	6.9
97.06542	18.7
97.10165	36.9
97.91313	2.9
99.08061	3.8
105.07027	76.6
107.04948	10.8
107.08582	53.4
109.06545	14.7
109.10159	32.4
111.08067	8.7
113.09669	3.0
115.05438	6.4
117.07008	44.1
119.04949	3.0
119.08577	68.5
121.06496	7.8
121.10137	28.9
123.08067	11.0
123.11682	13.9
125.09624	31.7
128.06213	7.8
129.06990	24.0
130.07808	2.9
131.08562	51.9
133.06473	6.4
133.10121	45.2
135.08035	11.8
135.11676	19.6
137.09604	7.0
141.06989	9.5
143.08557	23.4
145.06473	7.3
145.10112	41.0
147.08051	10.3
147.11681	32.3
149.09610	11.1
149.13231	11.1
151.11168	4.6
153.09055	3.7
154.07860	3.9
155.08549	16.5
157.10130	24.4
159.08022	5.2
159.11678	32.1
161.09578	6.4
161.13254	22.8
163.11137	7.6
163.14890	3.9
165.12805	3.2
167.08563	7.4
168.09401	4.1
169.10101	18.4
171.10182	4.3
171.11649	24.4
173.13277	14.4
175.11183	4.6
175.14792	8.5
177.12712	2.7
179.08496	4.2
181.10135	10.2
183.11716	21.5
185.13171	14.3
186.52086	2.8
187.11238	4.5
187.13130	3.0
187.14815	9.0
189.11205	22.0
189.12756	5.2
189.30258	2.8
191.10910	3.7
191.14455	3.4
193.10170	4.2
195.11739	12.0
197.13147	13.3
199.14888	14.7
201.16348	4.9
205.12372	4.0
207.11699	5.4
207.13783	2.9
209.13208	8.3
211.14751	6.5
213.16399	7.5
215.18025	3.3
223.13284	12.8
223.15085	5.3
225.16434	5.1
227.12720	19.7
227.17850	5.6
229.19589	3.2
231.21046	5.4
235.14700	3.1
237.16345	4.1
239.17917	5.2
241.19574	19.0
243.15782	3.2
257.18970	8.5
259.20496	39.7
259.23044	4.3
267.21039	3.1
273.18497	10.8
275.20093	27.4
276.20557	3.0
285.22067	6.5
289.17966	7.3
291.19522	72.4
293.21100	5.3
315.23383	4.9
333.24158	27.8
339.23065	3.6
349.23743	8.5
363.26865	6.2
365.23312	27.5
379.29770	8.3
381.27722	4.6
397.31369	3.4
437.30167	4.4
511.34024	2.9
513.37024	4.9
529.35144	10.0
531.37830	9.6
543.36475	8.4
549.39270	10.4
567.40521	3.3
605.42236	20.4
605.50421	3.9
623.43036	98.0
641.20728	4.5
641.30212	7.9
641.43555	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	641.4407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	3.0
53.03945	9.9
55.01872	14.5
55.05256	3.4
55.05508	48.7
57.03438	15.3
57.07074	4.4
65.03917	4.2
67.05502	100.0
68.99774	6.3
69.03419	6.6
69.07069	34.3
69.35901	20.7
71.04983	8.6
77.03903	2.2
79.05490	78.4
81.03397	9.3
81.07053	94.0
83.04955	11.8
83.08606	21.3
85.06535	6.5
90.91950	1.9
91.05479	85.8
93.07040	79.8
93.07625	4.7
95.04964	25.8
95.08598	61.0
97.06523	14.5
97.10153	9.4
98.21461	4.6
99.08088	4.8
103.05467	3.2
105.07028	82.7
107.04952	21.4
107.08588	45.0
109.06512	16.3
109.10149	32.5
111.04443	3.3
111.08047	12.3
113.05964	4.0
113.09596	2.7
115.05449	2.5
117.07014	31.2
119.08579	62.0
121.06519	12.2
121.10143	25.4
122.07244	4.0
123.04420	2.3
123.08026	10.0
123.11694	6.8
125.03311	1.8
125.05974	4.6
125.09615	7.0
127.07591	3.5
128.06210	6.0
129.07018	22.4
131.08569	48.8
133.06477	9.4
133.10117	55.6
135.08051	11.7
135.11678	13.7
137.09602	5.8
139.07576	5.1
141.06961	11.1
142.07797	4.3
143.08546	27.4
145.06499	6.4
145.10110	43.1
147.08015	10.1
147.11694	30.9
149.09619	8.6
149.13268	10.0
151.11180	16.7
153.09126	2.7
153.12686	1.9
155.08533	14.8
156.09349	2.9
157.06557	2.3
157.10124	29.5
159.08043	5.1
159.11702	28.1
161.09618	11.7
161.13211	18.7
163.11157	7.7
163.14766	3.1
167.08530	6.5
168.09311	2.3
169.10135	16.4
169.12297	2.7
171.08101	5.5
171.11697	29.0
173.09622	4.8
173.13255	20.6
175.11183	6.0
175.14816	6.5
177.12659	2.9
179.08521	3.0
179.10611	2.0
179.14229	2.1
180.09210	2.8
181.10170	5.9
182.10835	2.4
183.11687	15.2
185.13274	19.6
187.11201	3.6
187.14828	10.6
189.12802	4.2
189.16371	3.7
193.10097	4.4
195.11697	8.3
195.13582	2.3
197.13252	14.3
199.11197	5.5
199.14789	9.4
201.16280	3.2
203.14308	3.1
205.15759	3.1
207.11652	4.0
209.13202	7.7
211.14841	6.6
213.12744	3.2
213.16367	5.5
215.14325	3.6
215.17931	3.1
221.13313	2.1
223.14886	5.8
225.16425	4.5
227.17946	4.3
233.15388	4.9
237.16351	4.7
239.17989	4.6
241.15767	2.6
241.19479	11.0
245.18959	5.8
253.14159	14.8
253.19643	3.1
257.18924	3.7
259.20605	22.6
263.17795	2.8
273.18524	12.4
275.20190	10.2
277.21881	3.8
283.20511	2.9
285.21729	2.1
287.20041	3.6
289.18008	6.8
290.18643	2.5
291.19507	13.4
297.22012	3.3
299.20270	2.8
307.19308	2.5
313.21368	2.5
315.23215	3.8
333.24261	17.0
349.23410	2.3
363.21622	3.0
365.23282	13.1
389.27579	2.4
391.29871	4.9
409.31104	11.4
427.31839	4.1
451.31824	2.9
455.31665	4.6
465.33435	2.7
483.34579	7.6
487.34067	29.4
493.32068	2.8
501.35706	33.0
503.37207	6.4
511.34073	8.9
513.36676	6.4
525.35785	6.4
529.35260	8.3
531.38232	10.4
543.36755	5.9
549.39648	11.9
567.40399	8.5
595.39807	9.8
605.42065	15.4
623.43024	64.1
641.44128	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98307	1.8
53.03938	6.8
55.01869	21.8
55.05510	72.1
57.03435	12.9
57.07062	4.3
59.04987	3.0
60.04585	1.8
65.03949	4.2
67.05502	100.0
67.05865	4.8
69.03426	12.9
69.07065	50.5
69.91892	6.8
69.92297	3.5
70.34115	1.6
71.04990	10.4
71.54073	1.8
73.06558	1.8
75.71900	1.8
79.05489	88.7
79.41349	1.9
81.03416	9.3
81.06573	4.5
81.07054	93.9
83.04980	14.5
83.08612	29.7
83.31790	1.9
85.06538	5.5
91.05479	79.5
93.07040	76.9
95.04971	23.5
95.08607	51.7
97.02882	5.2
97.06503	16.7
97.10172	37.4
99.08070	3.5
103.05448	3.4
105.07025	73.4
107.04968	15.9
107.08599	55.7
109.03512	2.1
109.06500	12.2
109.10139	33.1
110.24988	2.0
111.04429	2.3
111.08102	6.1
115.05454	6.4
117.07014	35.4
119.08575	70.3
121.06493	11.4
121.10133	23.6
123.08086	6.9
123.11700	8.7
125.09633	26.8
128.06209	7.8
128.21198	2.2
129.07001	24.3
129.63998	2.0
130.07813	3.7
131.08569	45.0
133.06476	4.6
133.10129	40.5
135.08032	11.4
135.11697	14.9
137.09601	8.4
141.06960	12.6
142.07751	5.2
143.08565	24.6
144.09349	3.3
145.06500	3.6
145.10118	40.1
145.58569	2.1
147.08081	5.7
147.11674	31.8
149.09615	8.5
149.13254	8.3
151.11169	5.1
153.06999	4.1
153.09081	4.0
154.07790	2.3
155.08519	17.1
156.09326	3.1
157.10124	22.7
159.08101	3.7
159.11685	28.0
161.09621	4.4
161.13242	21.9
163.11180	6.4
163.14835	2.7
165.06969	3.1
167.08578	8.5
168.09392	3.4
169.10155	14.9
169.27043	2.0
171.08090	3.1
171.10243	3.0
171.11685	20.6
173.09593	4.5
173.11841	3.3
173.13197	12.5
175.11140	3.6
175.14825	10.0
177.12755	4.7
179.08572	5.1
179.14359	4.3
180.09308	3.1
181.10126	8.9
183.11653	14.7
185.09584	2.4
185.13220	13.7
187.11227	2.8
187.13304	2.1
187.14833	7.7
189.11227	14.0
189.12793	3.4
191.14297	2.6
193.10092	4.8
195.11685	7.6
195.13728	1.9
197.13252	13.2
199.11282	3.5
199.13135	2.0
199.14874	6.0
201.16313	2.5
203.14175	2.2
205.12230	3.3
206.10689	1.9
207.11682	5.3
209.13220	7.6
211.14867	5.7
213.16431	5.8
219.11661	2.1
221.13243	5.2
223.11449	2.6
223.13322	8.3
223.14948	5.9
225.16458	5.2
227.12755	17.6
227.17943	2.5
229.19518	2.3
231.21063	3.9
237.16455	4.3
239.17967	6.4
241.19504	19.8
245.13678	1.9
247.20647	2.2
249.16418	2.2
251.18044	3.7
253.19650	2.9
255.17526	2.9
257.19037	7.3
259.20575	37.3
265.19501	3.2
273.18539	9.0
275.20038	27.6
277.21793	3.2
285.22034	5.0
289.18210	3.5
291.19528	61.1
293.21381	3.1
297.21985	2.0
301.21674	3.0
301.25314	2.9
315.23209	2.9
321.22110	3.0
323.23380	2.2
325.21579	2.1
327.22989	2.4
333.24158	26.0
347.22092	2.9
349.23718	7.0
363.21872	3.1
363.26779	6.9
365.23233	22.5
379.30038	8.2
381.27896	5.1
397.31174	4.8
437.30389	3.9
453.33337	2.6
477.22595	3.1
511.34164	4.8
513.36676	5.2
529.34906	6.6
531.38074	10.2
541.35205	3.1
543.36523	5.7
547.26447	2.2
549.39215	6.4
567.40350	5.3
605.26849	2.8
605.42334	14.9
623.28345	7.4
623.43042	79.2
624.42523	2.4
641.28015	3.0
641.44104	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
52.33638	0.6
53.03934	3.1
55.01868	6.3
55.02367	0.8
55.05506	18.1
57.03432	25.5
57.07066	4.0
62.26917	0.6
65.03938	3.8
67.05497	51.9
68.05835	1.0
69.03413	2.4
69.06716	1.1
69.07062	14.5
69.99696	4.1
71.04978	5.1
71.08632	1.5
73.26713	0.8
75.08470	0.6
75.59427	0.6
77.03893	0.9
79.05486	32.8
81.03416	5.4
81.07047	43.4
82.10172	0.8
83.04976	4.8
83.08610	7.4
85.06535	26.7
91.05471	41.2
93.07035	33.4
94.04202	0.8
95.04961	42.3
95.08598	26.8
97.06526	7.6
97.10136	3.4
99.04455	1.1
99.08098	2.5
103.05446	2.7
105.07021	34.3
107.04950	8.9
107.08586	23.4
107.09291	1.5
109.06506	27.7
109.10149	8.3
111.04404	1.2
111.08078	2.3
113.05995	100.0
115.05435	2.8
116.06251	0.9
117.07009	17.6
119.04905	1.0
119.08570	24.7
121.06472	4.1
121.10130	11.2
123.04377	1.3
123.08057	6.5
123.11667	2.4
125.09627	3.1
128.06206	3.5
129.07001	11.0
130.07741	1.1
131.05011	0.7
131.08560	24.6
133.06467	2.2
133.09103	1.1
133.10120	20.1
135.08044	15.8
135.11662	9.2
137.09605	2.3
137.13278	1.1
138.06955	0.8
141.06970	5.7
141.09094	2.3
142.07767	2.4
143.08546	12.3
145.06483	2.9
145.10114	19.9
146.07336	1.0
147.08044	3.4
147.11682	11.3
149.09618	5.1
149.13254	4.7
151.11192	1.6
153.06961	1.3
154.07788	1.4
155.08554	6.5
156.09355	1.4
157.10121	11.5
158.10794	1.0
159.08049	3.3
159.11687	15.0
161.09618	5.1
161.13213	7.6
163.11179	4.7
163.14787	1.2
165.06982	0.9
167.08598	2.9
169.10117	8.4
171.11662	10.6
173.09677	1.2
173.13246	8.2
175.11154	2.1
175.14801	3.7
177.12764	4.0
179.08554	0.9
179.14325	1.9
181.10120	3.9
182.10887	0.9
183.08087	0.7
183.11691	6.4
185.09615	1.5
185.13245	7.2
187.11102	4.6
187.14815	3.7
189.11168	1.1
189.12718	1.0
193.10130	1.4
195.11667	4.7
195.13666	1.1
197.09659	1.1
197.13245	4.7
199.11150	1.5
199.14772	4.2
201.12762	1.8
201.16385	2.2
205.10216	1.0
207.11743	2.0
209.13211	3.7
211.11401	0.9
211.14844	3.1
213.12836	1.1
213.16499	1.4
215.14310	1.0
215.17876	1.1
217.15923	5.0
219.17303	0.9
221.13286	1.7
223.14812	2.0
225.16357	1.5
227.12743	1.1
227.17908	1.6
231.17546	1.1
231.21159	1.1
233.13094	1.2
235.14803	1.5
237.16447	2.3
239.18044	1.2
241.14209	1.4
241.19484	7.3
245.19131	1.4
247.20578	1.3
249.16391	1.0
255.17435	1.7
257.19083	4.1
259.20563	9.2
271.16757	0.9
273.18472	11.3
275.20068	10.3
277.21570	1.5
279.15820	5.7
283.20581	1.5
285.22177	1.1
289.17838	0.8
291.19537	25.7
297.22040	1.1
299.20245	0.8
315.23248	2.1
325.21658	0.8
325.25266	1.0
327.23395	0.8
327.26944	1.9
333.24219	13.1
347.22269	2.9
349.23700	3.9
353.24661	1.2
365.23251	6.1
407.29401	1.1
435.32620	1.3
437.34225	2.6
445.60748	0.8
483.34613	0.9
495.35028	1.4
509.36493	0.8
511.37964	3.9
513.36084	5.2
527.37531	1.6
529.38812	2.5
531.38245	3.6
543.36676	2.6
549.39630	3.5
551.37622	1.8
565.38916	1.3
567.40057	2.2
569.38312	2.8
595.43262	0.9
605.41956	5.6
623.43011	36.6
624.43585	1.1
641.44104	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	641.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92288	1.1
53.03940	2.8
55.01878	5.5
55.05511	11.6
57.03433	3.1
57.07085	1.9
65.03936	2.4
66.84026	1.1
67.05164	2.0
67.05504	27.2
69.03418	2.3
69.07066	12.0
69.25071	13.0
71.04987	4.6
72.26115	1.1
79.05486	26.3
81.03403	2.8
81.07053	33.4
83.04978	3.6
83.08609	6.2
85.06532	2.8
91.05471	24.5
92.69055	1.3
93.07047	23.2
94.06627	1.2
95.04945	8.0
95.08595	15.5
97.06526	7.3
97.10169	3.7
103.05476	1.6
105.07027	22.2
107.04953	5.2
107.08595	16.6
109.06525	6.2
109.10150	8.0
111.08085	1.7
114.68190	1.4
115.05466	1.4
117.07006	6.3
119.08589	18.5
121.06482	2.7
121.10134	9.6
123.08046	2.5
123.11655	1.5
125.06038	1.3
125.09624	3.6
129.07024	5.1
131.08565	12.4
133.06467	1.4
133.10130	13.3
135.08066	3.6
135.11685	4.5
137.09628	2.3
141.06947	2.0
141.09097	1.2
143.08574	3.6
145.10127	10.1
147.08037	1.4
147.11650	8.2
149.09605	5.1
149.13234	2.6
151.11197	1.8
155.08549	2.3
156.07997	1.4
157.10118	5.2
159.08061	2.3
159.11690	7.8
161.13232	2.3
163.11143	2.1
165.12717	1.5
169.10143	3.4
171.11658	3.4
173.13242	3.8
175.11133	2.0
175.14828	1.6
177.12793	1.6
180.00435	1.4
183.11742	1.7
185.10776	1.6
189.11171	1.7
197.10667	1.8
199.14891	1.9
209.13429	1.4
211.12338	1.9
211.14941	1.2
215.18001	1.4
224.13095	2.4
225.13861	4.0
227.11786	1.8
237.13960	2.1
239.12000	1.9
239.15456	2.1
239.17812	1.6
241.13799	1.7
241.19560	1.7
247.20557	2.1
248.79503	1.1
251.15332	1.2
257.18985	5.3
259.20691	2.1
271.14456	1.3
273.18399	1.4
275.15439	1.7
275.20062	27.9
289.18066	2.7
289.21255	1.5
290.16406	2.6
291.19559	3.7
292.18231	1.9
293.21060	1.9
304.14441	2.0
304.17764	1.1
313.15573	1.6
319.16763	2.0
331.22845	1.9
332.17487	2.8
333.24335	1.8
334.19183	2.2
335.25824	4.1
342.16122	1.6
343.18112	1.2
344.17429	1.6
349.23593	8.5
365.23215	2.1
374.18469	1.4
384.17072	3.6
391.19128	1.4
392.19891	3.3
393.20575	2.7
405.21048	2.5
406.21225	5.2
407.22217	7.9
408.22998	2.1
412.16614	2.8
415.18848	1.9
416.20374	1.6
417.20764	3.1
418.21594	1.3
419.21994	3.8
420.22675	4.5
421.23654	7.9
422.24405	11.1
427.19189	1.4
431.22723	2.6
434.18860	1.4
434.24374	7.4
435.21875	1.8
444.19028	7.0
445.19531	1.5
445.29437	1.2
447.17944	2.7
448.19342	1.7
458.20511	2.3
459.21277	1.8
461.18402	1.5
462.20618	3.5
463.21017	9.6
473.23251	1.3
475.21182	4.7
476.20737	3.7
477.22989	5.9
487.24759	3.0
490.23260	1.4
491.24274	3.3
494.26703	2.6
495.27490	2.4
508.21719	1.8
523.26935	2.2
532.24133	1.4
533.21295	1.6
535.26764	1.4
543.36591	2.5
545.25446	9.0
547.26917	11.5
549.24884	20.4
549.38373	2.2
550.25824	5.4
561.21100	2.0
563.26337	10.1
564.26874	1.8
565.28333	1.7
579.29419	3.1
581.27264	1.4
591.26013	56.2
592.26001	1.8
595.29303	1.5
605.27545	7.7
605.42181	1.8
609.26978	19.7
609.44855	2.1
623.28632	100.0
623.43030	11.7
624.29657	1.7
641.29077	15.9
641.43738	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	641.2961
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.03949	0.3
55.01860	0.7
55.05508	1.7
57.03419	0.7
65.03960	0.3
67.05499	3.8
69.03448	0.3
69.07070	1.4
70.44387	1.2
71.04952	0.3
79.05485	4.7
81.07053	5.9
83.04993	0.6
83.08620	1.1
91.05480	3.3
93.07036	3.0
95.04964	1.2
95.08594	1.9
97.06524	1.2
97.10188	0.6
105.07012	2.9
107.04954	1.3
107.08594	2.5
109.06511	1.2
109.09476	0.3
109.10176	1.2
111.08075	0.4
117.07016	1.4
119.08569	2.2
121.02084	0.3
121.06480	0.5
121.10148	1.3
123.11754	0.3
125.09621	0.6
129.07033	0.4
129.90923	0.3
131.08556	1.1
133.10136	1.4
135.08037	0.4
135.11714	0.5
137.09627	0.4
141.07068	0.3
143.08624	0.7
145.10139	1.4
147.11693	1.2
149.09621	0.8
149.13280	0.6
157.10117	0.5
159.11690	1.0
161.13228	0.6
171.11589	0.4
173.13237	0.3
177.12868	0.3
185.13226	0.3
195.10165	0.4
211.14865	0.5
224.76176	0.3
227.12825	0.5
239.11908	0.4
247.20605	0.5
248.14807	0.3
255.67030	0.3
275.20084	4.1
293.21109	0.5
314.12863	0.4
328.14532	0.3
349.23804	1.1
377.17575	0.7
378.18582	0.7
379.19165	0.6
390.18317	0.5
391.15005	0.5
391.19235	1.3
392.20013	0.9
393.20911	1.6
394.21384	0.5
395.22498	0.7
405.16550	2.6
405.21588	0.5
406.17331	1.9
407.18338	0.9
407.22665	4.9
408.23486	0.7
409.23953	0.5
418.17746	0.8
419.18359	2.7
420.19043	2.2
421.20255	5.3
423.21701	1.8
433.20428	4.3
434.21136	4.4
435.21942	7.3
436.22650	1.0
437.23431	0.3
445.20615	0.3
447.22452	1.5
448.18497	0.8
449.19583	9.3
453.22772	0.4
461.23849	0.5
462.20761	1.1
463.21033	3.5
464.21991	2.2
465.18848	0.6
466.23926	0.4
467.24463	1.0
477.22736	1.0
479.20462	1.0
481.22256	2.1
483.24789	0.3
489.23145	0.5
491.24078	0.4
493.21527	2.5
494.22961	2.8
495.23724	3.9
496.24219	0.5
507.24069	2.3
509.25436	0.5
519.23798	0.4
521.25745	10.2
522.26221	0.5
523.27051	0.8
535.23218	0.6
539.23315	1.1
543.37152	0.5
549.24634	0.9
551.27216	0.4
553.27570	0.8
563.26416	1.1
567.25598	0.3
581.27570	18.4
582.28143	1.0
609.26721	0.6
623.42767	1.7
641.29626	100.0
642.30054	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	641.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.6
53.03934	0.8
55.01864	2.2
55.05513	4.3
57.03434	2.3
67.05501	10.1
68.63802	0.4
69.03417	0.7
69.07070	4.4
70.14589	0.5
70.14876	2.5
71.05011	0.5
71.08652	1.0
73.70716	0.4
79.05493	9.2
81.03419	3.0
81.07052	10.9
83.04977	1.2
83.08612	2.1
85.06546	2.1
91.05473	8.1
93.07042	7.9
95.04971	5.4
95.08607	6.0
97.02805	0.5
97.06516	2.6
97.10168	1.4
99.08097	1.1
103.05508	0.6
104.38876	0.4
105.07023	7.4
107.04365	0.5
107.04958	2.5
107.08597	4.8
109.06499	3.3
109.10170	2.4
111.08086	0.9
113.05992	4.0
115.05410	0.6
117.07024	3.1
119.08572	5.8
121.06467	0.7
121.10146	3.0
123.08083	1.2
123.11690	0.8
125.09648	0.8
129.07037	1.5
131.08569	4.2
133.06380	0.6
133.10126	5.1
133.19814	0.5
135.08067	2.0
135.11664	2.8
141.06947	0.5
143.08583	1.5
145.10133	4.0
147.08026	1.3
147.11653	2.9
149.09618	2.2
149.13234	0.9
151.11166	0.7
155.01003	0.5
155.08554	0.8
157.10144	1.8
159.11679	2.7
161.09639	0.7
161.13289	1.3
162.13911	0.4
163.11235	1.2
169.10164	1.1
171.11687	1.5
173.13284	1.3
175.11186	0.6
175.14720	0.7
177.12811	0.7
179.14296	2.4
181.10143	0.7
183.11717	1.2
185.13261	1.5
189.11179	0.6
189.12756	0.5
193.12157	0.7
197.13261	1.0
199.14825	0.5
204.06735	0.6
229.19638	0.5
231.94231	0.5
239.11800	0.5
239.17972	0.8
241.19783	0.6
247.63551	0.5
257.19055	1.4
259.20508	0.6
267.15915	0.7
273.18527	0.9
275.20038	7.1
277.21704	1.9
291.19672	1.9
292.20468	0.6
293.21091	1.2
325.15833	0.6
333.24234	0.6
340.14459	0.6
349.23672	2.4
356.17447	0.5
365.18756	0.5
365.23322	0.6
376.17014	0.6
389.17346	0.6
391.19528	1.0
392.20056	0.6
403.19608	0.6
404.15927	1.1
406.21692	1.6
418.17514	1.2
419.18738	2.0
420.23535	0.9
421.24460	0.7
432.19580	0.9
433.20416	3.1
434.20895	2.2
435.21783	1.1
446.17407	1.0
447.18146	1.8
447.22809	1.0
448.22580	1.6
449.24100	0.8
451.21600	0.5
461.19543	10.8
461.29327	0.9
462.20410	3.2
463.21378	1.1
465.19238	1.7
467.24567	2.1
476.22272	2.8
477.22983	2.8
478.20328	0.8
479.20679	0.8
480.21240	0.7
489.23022	1.1
492.21802	0.6
493.22437	1.6
494.23044	2.4
495.24094	1.8
505.22675	0.6
507.24106	0.7
521.22205	1.8
525.21240	0.7
535.26660	1.0
543.36816	6.6
547.26239	0.6
548.24115	2.6
549.25037	1.8
553.27936	1.6
563.26617	5.9
564.27032	0.5
581.27625	10.6
608.26025	1.6
609.25891	0.8
623.27557	2.1
623.43164	4.5
641.29651	100.0
641.42792	3.6
642.29810	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01869	5.5
55.05507	9.0
55.05745	0.7
55.99173	0.5
57.03451	2.5
57.07087	0.9
65.03958	0.9
67.05497	18.5
68.05889	0.6
69.03431	1.5
69.07059	11.0
69.07389	0.8
69.34925	2.0
69.35353	3.3
71.05016	2.0
79.05487	17.5
81.03445	2.1
81.07048	26.1
83.04997	2.1
83.08608	5.4
85.06559	1.7
87.63113	0.5
91.05473	15.1
92.05816	0.8
93.07043	12.8
93.07607	0.7
95.04964	4.9
95.08597	10.1
95.09141	0.7
97.06527	5.9
97.10155	3.7
99.08105	0.8
105.07027	14.7
107.04955	3.2
107.08585	11.7
109.06498	5.8
109.10146	5.5
111.08115	2.0
113.06002	0.5
115.05504	0.7
117.07019	4.6
119.08575	11.6
121.06538	2.0
121.10126	5.8
123.04543	0.5
123.08098	2.0
123.11755	2.5
125.09688	2.5
128.06239	1.0
129.06967	3.2
130.07840	0.8
131.08560	8.6
133.06511	1.0
133.10120	8.7
135.08095	2.2
135.11662	3.2
137.09682	1.7
139.11237	0.8
141.07008	1.0
142.07854	0.8
143.08533	2.9
145.06548	0.7
145.10110	7.7
147.08118	1.6
147.11659	6.0
149.09627	3.9
149.13269	3.0
151.11258	2.0
153.09151	0.8
155.08589	1.7
157.10115	3.1
159.08150	0.9
159.11664	5.4
161.09711	1.5
161.13306	2.1
163.11183	3.0
163.14877	1.0
165.09097	0.6
165.12813	1.2
169.10175	2.3
171.11700	3.0
173.09572	1.1
173.11992	0.6
173.13226	2.8
175.11176	1.3
175.14828	0.9
177.12807	1.5
179.14355	1.1
180.39938	0.5
181.10141	1.3
183.11755	2.2
185.13365	1.7
187.11296	0.7
187.14870	1.4
189.11292	1.7
189.12839	0.8
195.11789	1.1
197.13333	1.5
199.14769	0.6
199.78896	0.6
201.16438	1.0
205.12386	0.7
207.11731	0.8
209.13411	1.0
210.18108	0.7
211.14908	0.8
223.13228	0.8
227.12834	2.0
229.19518	0.7
233.13423	0.6
239.17982	1.0
241.19534	1.2
247.20706	1.6
257.19012	3.8
259.20645	2.1
273.18680	0.6
275.20053	20.6
285.22116	0.6
289.18066	0.7
291.19492	4.1
293.21161	1.7
331.22778	1.1
333.24310	1.4
349.23749	7.0
365.23227	0.8
370.96536	0.6
381.27808	0.6
407.11484	1.0
408.12152	1.5
409.13281	0.8
410.14691	1.0
414.14413	1.0
421.12933	4.3
422.13754	7.3
423.14600	5.2
424.15448	2.5
425.16571	1.0
428.16028	1.4
429.17108	0.8
434.13589	0.8
435.14648	5.6
436.15424	8.5
437.16235	11.5
438.16760	1.8
441.15735	2.4
449.16266	2.2
450.17902	3.5
451.18695	5.1
451.31357	0.6
452.18649	2.1
455.17685	1.3
456.16187	0.7
463.14001	1.2
464.14645	4.4
465.15637	5.4
465.20300	2.0
466.16562	1.9
467.17050	0.8
468.14078	0.7
469.15436	2.1
470.16446	1.2
477.15631	1.6
478.16553	3.8
479.17404	4.2
480.18259	4.3
481.19461	1.2
482.15768	1.3
483.16763	0.7
484.18179	0.8
492.17667	1.6
493.19229	8.8
494.20602	3.3
495.16403	6.2
496.17538	1.5
498.14978	3.0
506.16086	2.1
507.16840	3.1
508.17413	11.5
509.18170	8.7
510.14886	1.4
512.16949	8.4
513.16785	0.8
513.36737	1.0
521.18201	16.5
522.18646	5.0
524.16724	1.7
525.20856	0.9
526.14197	3.1
531.38153	1.2
536.18127	0.8
537.18427	0.7
538.18671	1.3
539.19391	2.6
540.16205	1.2
543.36810	2.0
549.17987	1.8
549.39197	0.9
553.20746	6.2
563.19366	0.7
581.20276	73.8
582.20605	2.8
599.21326	25.5
605.42346	1.3
609.19574	2.5
622.22998	7.4
623.42908	8.8
641.22296	100.0
641.44019	9.7
642.22516	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	639.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.6
51.78933	1.6
53.03935	7.1
55.01868	20.6
55.05510	31.7
57.03434	13.4
57.07063	3.3
65.03943	5.5
67.05502	69.7
69.03418	5.7
69.06713	2.8
69.07066	36.6
72.08167	1.6
79.05488	63.4
81.03420	10.3
81.07053	75.0
83.04977	10.1
83.08613	17.0
85.06555	8.1
91.05478	62.5
93.07041	50.8
94.44176	1.3
95.01331	4.3
95.04965	29.4
95.08604	37.5
97.02883	4.6
97.06521	25.5
97.10177	12.5
98.20735	4.2
99.08079	2.3
103.05475	3.1
105.07025	58.6
107.04945	19.9
107.08589	38.2
109.06518	25.7
109.10150	19.3
111.08083	5.4
113.06036	11.5
115.05457	3.7
117.07021	24.5
119.08583	40.0
119.09441	1.9
121.06514	9.5
121.10157	18.2
123.04458	2.0
123.08076	8.2
123.11749	3.6
125.09631	12.7
128.06238	5.6
129.06976	12.8
130.07800	1.4
131.04929	2.3
131.08560	35.0
133.06538	5.8
133.10136	29.2
135.08063	18.2
135.11696	9.9
137.09637	5.2
141.07016	5.6
142.07755	3.2
143.08539	13.3
144.09386	1.5
145.06487	3.6
145.10127	25.7
146.07301	1.4
147.08046	7.6
147.11679	18.4
148.08591	1.4
149.09615	13.0
149.13271	4.8
151.11211	3.9
153.08968	1.8
155.08594	6.7
157.10139	13.4
158.07190	1.4
159.08069	3.9
159.11688	15.7
161.09630	6.9
161.13330	6.9
163.11143	9.9
165.09114	3.1
165.12706	2.1
167.08574	2.6
169.10155	6.7
171.11673	10.2
173.09662	3.2
173.11899	2.6
173.13332	7.1
175.11212	5.3
175.14828	2.4
177.12769	4.8
179.14339	9.1
181.10115	4.1
183.11696	8.6
185.09575	1.9
185.13303	4.0
187.11295	2.6
187.14949	2.3
189.11295	3.7
191.14365	1.7
193.12343	1.9
195.11757	4.6
195.13852	2.2
197.13315	3.8
199.11244	2.0
199.14900	3.3
201.12799	2.4
201.16438	1.6
207.13750	1.8
209.13347	2.2
211.14868	2.5
215.14287	1.9
217.15829	6.9
223.11388	1.7
223.13190	6.9
227.12776	7.5
227.18033	2.0
229.19534	3.8
229.86035	1.7
231.17365	1.7
233.15450	1.6
237.16565	1.6
239.17992	6.2
245.18896	2.8
247.20676	4.0
255.17503	1.7
257.18954	15.2
273.18500	30.8
275.20065	55.7
285.18488	1.6
291.19519	83.2
292.19843	1.6
293.21176	2.0
313.21799	2.0
331.22910	4.0
347.22314	7.4
349.23828	6.3
365.23343	4.8
379.25851	1.6
395.29800	2.2
527.33398	2.5
529.36456	2.5
541.35370	2.3
547.37830	1.9
565.39435	2.1
621.41656	12.4
639.42554	100.0
640.43262	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	639.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20005	1.3
53.03935	7.8
55.01877	7.8
55.02100	1.4
55.05259	2.0
55.05509	30.6
57.03435	28.6
57.07069	2.4
60.98005	1.4
65.03938	5.3
67.05502	73.0
69.07066	23.5
69.31823	3.9
69.32240	10.9
69.51231	1.3
73.14454	1.3
75.25915	1.3
75.70982	1.2
79.05491	60.8
79.05959	3.1
79.99326	1.4
80.68430	1.3
81.03419	10.2
81.07053	73.6
83.04974	17.5
83.08611	13.8
85.02896	1.7
85.06538	6.5
91.05478	75.0
93.07040	56.6
93.29147	1.3
95.01330	2.0
95.04964	19.5
95.08597	41.6
97.02894	2.0
97.06546	8.8
97.10176	5.7
99.04496	2.1
99.08074	1.6
102.11752	1.3
103.05473	4.3
105.04533	2.4
105.07024	59.8
107.04947	26.0
107.08591	33.6
109.02894	1.7
109.06515	17.7
109.10162	17.5
111.04465	7.1
111.08070	5.7
113.06002	10.3
113.09602	1.8
115.05464	4.6
117.07005	32.3
119.08569	40.9
121.06516	8.9
121.10151	17.5
123.08060	10.9
123.11726	2.7
125.06007	2.6
125.09634	5.2
128.06224	6.0
129.06987	23.2
130.07742	3.1
131.07088	2.6
131.08563	41.2
133.06529	7.0
133.10123	32.7
135.08028	11.7
135.11682	13.4
137.06000	2.5
137.09644	4.7
141.06975	9.5
142.07809	6.4
143.08556	23.7
144.57103	1.3
145.06482	8.9
145.10107	33.2
147.08054	6.3
147.11681	15.2
149.05884	1.9
149.09636	10.8
149.13274	7.2
151.11200	5.8
153.06984	2.2
154.07777	1.9
155.08545	17.2
156.09293	1.8
157.06506	3.3
157.10123	18.8
159.07979	8.4
159.11676	24.4
161.09608	7.2
161.13242	9.1
163.07605	1.4
163.11215	9.6
163.14793	1.5
165.07022	3.2
165.12730	1.8
166.07854	2.3
167.08549	7.8
168.09302	2.2
169.10095	19.5
171.08046	1.8
171.11671	17.7
173.09645	5.2
173.13251	13.1
175.11206	6.0
175.14885	1.8
177.09099	2.1
177.12738	8.7
179.08582	5.8
179.14360	4.4
180.09343	2.0
181.10103	9.3
182.11000	1.7
183.08116	2.2
183.11665	11.9
184.08839	1.5
185.09674	5.6
185.13219	10.0
187.11107	7.2
187.14850	6.3
189.11284	1.5
189.12814	3.5
191.08548	2.7
192.09413	1.9
193.10147	6.4
193.12120	1.7
194.11008	2.2
195.11726	10.8
195.13710	2.4
196.12540	1.8
197.09697	3.1
197.13248	11.3
199.11211	5.5
199.14822	6.6
201.12747	4.0
201.16383	3.2
201.45940	1.4
203.14510	1.5
204.09447	1.8
205.10292	2.0
205.15933	3.8
207.11740	5.8
209.09691	2.7
209.13275	7.1
211.11221	2.1
211.14801	4.5
213.12744	3.5
213.16469	3.0
215.14343	3.6
217.15779	1.7
219.11673	3.2
221.13260	8.2
223.11177	2.2
223.14955	3.8
225.12819	2.1
225.16464	2.1
227.17992	3.0
231.11809	2.2
231.17371	2.2
233.13240	3.4
233.15414	4.8
235.11240	2.6
235.14819	4.5
235.16978	1.9
237.12738	2.5
237.16371	3.3
239.18005	2.7
241.14305	3.3
241.19710	2.3
243.17593	1.5
245.13287	1.6
245.15546	1.6
247.14821	2.9
249.16495	2.6
251.14409	1.7
253.18021	1.6
255.17490	3.4
257.19003	10.1
259.20648	5.9
261.18597	3.8
263.20242	2.6
265.19748	1.6
271.16980	4.1
271.20349	3.2
273.18506	11.4
275.20105	18.8
279.15814	17.0
285.22070	2.8
289.17984	17.3
289.21375	2.2
291.19519	15.4
309.21878	1.7
313.21667	2.4
315.23334	2.6
325.25259	3.8
327.22989	2.7
331.22812	4.5
333.24399	6.0
339.23285	1.9
341.24838	3.7
343.26367	5.4
347.22269	4.1
349.23978	2.5
351.23053	1.8
363.21466	7.8
365.23746	3.1
369.24319	2.8
379.26352	1.9
383.25955	2.2
419.28467	2.3
433.31464	1.8
443.27979	1.8
455.32758	2.2
473.34320	5.6
491.35168	6.4
493.22855	1.3
493.32932	2.2
501.37198	1.9
509.35852	2.5
511.35712	4.0
519.39063	2.2
527.34009	2.0
529.36688	10.3
537.25348	1.7
539.33429	2.5
547.37695	12.8
549.35730	2.9
563.37964	1.5
565.38934	26.8
567.37524	2.1
579.25836	3.3
583.39905	3.5
593.41846	3.3
603.40222	10.9
611.43011	2.1
621.41418	100.0
622.41571	1.9
639.28174	3.6
639.42389	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.8
55.01862	16.2
55.05259	4.1
55.05508	45.2
57.03431	25.9
57.07066	3.1
57.54642	2.8
61.89065	2.6
65.03941	4.4
67.05501	84.5
69.07061	32.8
69.79005	5.4
69.79402	15.3
71.04968	9.7
79.05057	4.8
79.05491	84.0
81.03419	20.3
81.07050	97.6
83.04968	25.2
83.08195	2.5
83.08594	16.8
85.06521	8.4
91.05476	100.0
93.07035	76.6
95.01302	4.3
95.04955	30.6
95.08601	63.9
97.02877	5.4
97.06524	20.3
97.10154	10.8
99.04447	4.5
103.05440	6.0
105.07023	86.0
107.04949	29.7
107.08595	50.6
109.02839	2.9
109.06504	25.1
109.10147	20.2
111.04440	8.2
111.08070	8.6
113.05991	7.5
115.05487	9.3
117.07003	43.2
119.04920	4.1
119.08568	52.1
119.09351	4.5
121.06497	10.8
121.10126	23.5
123.04427	3.6
123.08053	10.0
123.11691	5.4
125.09613	11.1
128.06216	9.1
129.07001	25.4
130.07712	3.9
131.08562	51.5
133.06471	8.9
133.10118	36.2
135.08029	16.0
135.11661	19.5
137.05974	3.9
137.09566	8.1
139.07524	3.1
141.06964	12.8
142.07707	5.7
143.08549	23.9
145.06506	7.4
145.10123	39.1
147.08070	7.3
147.10678	2.7
147.11646	20.4
149.09598	13.6
149.13225	9.1
151.11189	8.0
155.08527	22.7
157.06564	4.3
157.10126	27.0
159.08017	13.1
159.11699	29.7
161.09572	11.0
161.13252	9.2
163.07582	3.5
163.11147	10.4
167.08551	10.4
168.09302	3.1
169.10155	24.2
169.51370	3.1
171.08083	4.8
171.11664	21.8
173.09662	7.4
173.13225	13.6
175.11237	6.5
175.14795	4.7
177.09085	4.0
177.12738	11.6
179.08536	5.3
179.14308	7.5
181.10088	14.7
182.10976	3.2
183.11700	11.8
185.09595	7.8
185.13234	7.3
187.11192	7.8
187.14790	8.0
189.11189	4.1
189.12738	7.1
193.10138	5.5
195.11702	12.1
195.13617	5.3
197.09695	3.7
197.13254	11.6
199.11142	4.3
199.14845	8.2
201.12692	4.2
201.16309	5.8
204.24287	3.1
207.11711	5.4
209.13245	4.5
211.14818	8.5
215.14342	5.7
217.12120	3.3
217.15727	4.2
219.11728	3.4
219.13783	3.6
221.13234	6.8
223.11128	3.5
223.14830	6.3
225.12735	3.3
225.16342	3.2
233.15414	6.9
235.14815	6.2
239.17879	5.1
241.14284	4.6
245.19029	7.6
255.17384	3.9
257.18982	11.3
263.19867	3.4
273.18488	22.3
275.20020	32.0
279.15866	15.6
285.22015	5.3
289.17877	18.9
291.19492	31.4
333.24213	8.2
341.24649	3.2
347.22098	8.9
349.23727	8.5
363.22144	3.6
365.24640	4.3
473.34189	4.4
491.34946	4.4
511.35504	6.1
529.36621	14.0
547.37665	16.5
565.38959	31.1
567.36914	6.5
583.40118	3.8
603.40149	5.3
611.29193	4.6
611.41943	3.8
621.31653	4.8
621.41504	93.8
639.27808	13.4
639.42670	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75364	1.1
51.02380	1.1
52.30938	1.0
53.03941	7.6
55.01852	4.4
55.05267	1.3
55.05508	20.0
55.80887	1.1
57.03436	5.9
57.07062	1.7
58.81516	1.1
59.04993	1.4
65.03925	4.4
67.05499	71.0
69.03417	16.8
69.07061	17.5
71.01318	1.7
71.03821	1.3
71.04989	41.4
71.11948	1.6
73.02892	1.5
79.05484	41.0
81.03410	48.2
81.07050	100.0
83.04972	14.6
83.08620	13.2
85.02892	8.4
85.06544	8.3
87.04453	1.1
91.04890	1.7
91.05472	44.0
93.07035	47.9
93.07625	2.4
95.04965	12.0
95.08600	23.2
97.02877	12.9
97.06520	14.1
97.10139	3.1
99.04426	5.1
99.08063	4.1
105.06373	2.2
105.07021	25.9
107.04913	4.9
107.08585	26.5
109.02872	14.8
109.06519	5.6
109.10139	9.4
111.04436	7.6
111.08057	5.9
117.07000	9.7
119.08566	8.2
121.06464	4.2
121.10133	16.2
123.04401	2.0
123.08059	1.8
123.11685	12.6
125.09586	2.0
127.03908	7.2
129.05415	1.2
129.06984	5.4
131.08543	11.7
133.06467	1.1
133.10117	21.7
135.04372	1.5
135.08060	3.1
135.11659	8.3
143.08569	1.7
145.06483	2.0
145.10089	4.5
147.04367	1.2
147.08047	1.5
147.11687	9.2
149.05879	1.3
149.09641	2.6
149.13248	22.6
151.11134	11.1
155.08513	1.4
157.10115	4.2
159.08044	1.6
159.11691	12.6
161.09569	1.4
161.13213	2.1
163.11139	2.5
165.12764	3.2
169.12213	2.2
171.06532	4.5
171.11630	1.4
173.04456	9.4
173.09593	1.7
175.11142	3.9
177.12733	9.6
179.14191	1.5
183.06485	1.6
183.13794	6.0
187.13280	12.5
193.12215	4.9
195.13792	14.0
201.14854	4.0
203.14453	1.3
211.13193	2.5
213.14793	3.1
227.12854	2.7
244.57608	1.3
257.17459	2.7
259.13272	1.6
261.14871	1.4
263.28644	1.2
267.15881	4.4
269.17462	11.1
273.18262	1.2
275.19934	1.9
283.19107	3.2
297.16931	2.4
301.20355	1.6
303.15930	2.1
317.19559	1.5
339.18030	6.8
349.23941	1.2
377.19315	2.5
395.20554	5.3
421.29358	3.6
435.30865	1.4
437.28989	21.5
451.30719	7.4
453.32004	2.7
463.30438	6.6
495.33316	8.6
589.33929	3.6
607.34808	16.6
621.34436	1.5
624.91309	1.4
639.37238	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	2.5
53.03931	6.9
55.01870	7.9
55.05268	1.9
55.05511	25.6
57.03439	12.9
57.07068	3.6
58.97757	1.5
65.03930	4.6
67.05503	82.6
69.03430	19.6
69.07063	21.7
69.36827	12.3
69.37239	3.3
70.49001	1.8
71.01318	3.0
71.04997	30.3
71.74601	1.5
73.02901	1.8
79.05491	61.6
81.03418	59.1
81.07053	100.0
83.04974	17.0
83.08615	15.0
83.17251	1.5
85.02903	11.5
85.06520	9.5
91.05476	58.7
93.07040	50.7
95.04967	21.5
95.08604	31.0
97.02882	11.8
97.06539	11.2
97.10153	7.2
99.04443	6.6
99.08092	2.8
101.04567	1.6
105.06382	2.8
105.07027	32.8
107.04950	11.1
107.08585	33.2
109.02860	17.7
109.06506	17.5
109.10152	14.5
110.31601	1.7
111.04420	10.0
111.08049	5.6
113.06007	7.9
117.07011	15.2
119.08585	16.4
121.06508	4.8
121.10109	17.2
123.04412	2.8
123.08073	3.3
123.11676	9.1
125.09618	5.4
127.03931	8.3
128.06168	2.9
129.05489	3.3
129.06966	7.9
131.08562	19.8
133.06480	3.6
133.10114	26.1
135.08008	8.5
135.11711	11.1
137.09590	3.5
141.07010	2.1
143.08571	6.1
145.10098	9.1
147.08034	5.6
147.11659	11.8
149.09601	7.2
149.13269	17.0
151.11118	6.9
155.08513	2.2
157.06418	2.1
157.10120	4.1
159.08035	3.7
159.11685	14.4
161.05933	1.8
161.09645	4.4
161.13303	1.9
163.11148	4.9
165.12773	3.9
169.10159	2.5
171.11679	4.4
173.04456	9.7
173.09583	3.0
173.11743	1.8
173.13268	4.6
175.11151	5.7
177.12701	8.3
179.14236	2.9
181.12241	1.9
183.06456	2.2
183.08012	2.0
183.13785	4.6
185.13150	2.0
187.13281	16.6
187.14781	2.5
191.79362	1.7
193.12218	4.9
195.13808	10.9
199.33853	1.8
201.14836	4.0
207.13733	1.9
209.11642	2.8
211.13136	2.6
213.14729	3.8
217.15884	2.0
220.84230	1.8
227.12683	3.7
229.14500	2.3
247.16907	1.9
249.05956	1.5
267.15912	5.7
269.17413	8.3
273.18408	8.1
275.16885	2.7
275.20038	11.6
279.15887	1.8
283.18872	2.9
291.19553	16.0
303.16074	2.1
339.18045	8.5
347.22086	2.1
349.16541	1.7
377.19583	2.5
395.20624	7.6
427.23779	2.7
437.29031	12.0
451.30200	5.3
453.32425	1.9
459.27896	2.1
463.30676	3.9
475.30963	1.8
477.28751	3.0
495.32755	2.9
589.33301	2.5
595.33099	2.1
607.34930	13.8
621.33002	2.3
621.41840	2.5
639.33411	10.6
639.42035	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	639.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.0
53.58584	1.4
54.69086	1.6
55.01860	5.8
55.05508	22.8
57.03443	8.5
57.07062	2.7
60.86932	1.3
65.03931	4.5
67.05501	80.1
68.85047	1.3
69.03423	14.9
69.07068	21.1
70.00892	7.6
71.01346	1.8
71.04992	33.1
72.08144	6.1
79.05059	2.9
79.05488	45.5
81.03415	42.5
81.07051	100.0
83.04974	15.2
83.08613	18.9
85.02895	8.0
85.06535	9.2
87.04445	1.3
91.05472	45.6
93.07039	53.3
95.04964	17.2
95.08600	27.2
97.02873	13.3
97.05965	2.3
97.06531	14.3
97.10159	4.3
98.21420	1.8
99.04445	5.8
99.08097	1.9
103.03957	1.5
103.05428	2.4
105.04510	1.6
105.07027	33.7
107.04945	9.1
107.08587	32.0
109.02873	15.2
109.06548	11.6
109.10136	11.9
111.04442	7.5
111.08078	8.4
113.05988	3.3
113.09682	2.1
115.05453	2.3
117.07008	16.9
119.04948	2.3
119.08572	18.9
121.06492	5.2
121.10135	17.6
123.04404	1.6
123.08083	3.6
123.11700	10.9
125.09668	3.3
127.03902	8.3
129.05496	2.4
129.07008	9.0
131.04968	2.2
131.08565	17.3
133.06482	5.1
133.10127	21.5
135.08026	8.5
135.11696	8.8
137.05994	1.6
137.09641	2.7
141.07002	2.3
142.07762	1.7
143.08530	4.7
145.06471	4.5
145.10118	9.7
147.08014	3.7
147.11685	16.7
149.09621	6.0
149.13258	17.2
151.11180	6.4
155.08533	3.0
157.10129	5.9
159.08028	3.2
159.11671	12.5
161.05977	2.0
161.09656	2.4
161.13167	2.3
163.11174	2.5
165.12788	3.6
167.08632	1.4
169.10124	3.0
169.12228	1.6
171.06516	2.2
171.11635	4.6
173.04468	4.9
173.13219	3.1
175.11183	4.4
177.12729	7.1
179.14365	3.0
181.10103	2.6
183.11700	2.7
183.13812	4.2
185.13266	3.3
187.13297	10.8
187.14767	1.9
193.12285	5.2
195.11916	2.8
195.13795	10.4
199.14911	2.1
209.13420	1.6
211.13313	4.9
213.14865	2.1
216.96985	1.6
219.13858	2.1
223.55998	1.3
231.13811	1.7
233.15335	1.6
243.15924	1.5
249.14854	1.8
251.16603	1.8
253.18144	1.8
257.19196	1.7
261.14755	1.7
267.15912	6.1
269.17505	7.4
273.18454	6.4
275.20074	8.3
278.42474	1.4
281.17441	2.1
283.19003	2.6
287.16550	2.0
291.19470	7.5
303.15909	2.2
321.16861	2.5
339.18005	6.2
347.22064	3.2
349.23792	2.9
351.17233	1.4
361.31628	1.5
377.19556	3.4
395.20517	4.9
421.29407	3.3
427.23206	2.4
435.30914	2.0
437.28995	22.1
445.29218	2.7
451.30463	5.8
463.30453	9.0
477.32300	1.8
495.33054	6.0
545.30597	2.0
589.33844	2.6
607.34650	12.9
621.33124	2.5
621.41852	3.9
636.63055	1.7
639.35913	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	639.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.6
53.03941	8.3
55.01871	6.2
55.05508	23.0
57.03436	10.8
57.07066	2.4
59.04984	1.8
64.52567	1.3
65.03937	4.1
65.61019	1.1
67.05502	72.3
68.29159	1.1
69.03426	16.2
69.07066	18.9
71.01340	2.4
71.04993	33.9
71.30513	2.8
72.08152	6.9
73.02900	1.8
79.05491	45.3
80.90253	1.1
81.03414	44.3
81.07053	100.0
82.07377	1.3
83.04977	14.5
83.08624	13.5
85.02904	5.9
85.06542	8.3
86.21166	1.1
87.04474	2.2
91.05479	52.1
93.07041	45.8
95.04959	18.3
95.08604	24.2
97.02884	12.5
97.06523	11.1
97.10166	3.8
99.04452	4.7
99.08096	4.1
103.05449	2.0
105.07027	31.7
107.04970	7.8
107.08586	30.5
109.02868	16.9
109.06515	8.5
109.10133	9.4
111.04424	7.3
111.08087	6.3
113.05977	2.0
113.09683	1.5
115.05424	1.7
117.07015	13.0
118.05891	1.0
119.08572	15.6
121.06494	4.3
121.10145	16.2
123.04472	1.7
123.08087	2.4
123.11704	10.5
127.03894	6.8
129.06996	7.0
130.07761	1.2
131.08559	16.4
133.06479	3.6
133.10127	22.3
135.08060	4.1
135.11682	8.4
137.05957	1.8
137.09573	2.0
141.06909	2.7
142.07756	1.4
143.08556	5.1
145.06485	4.2
145.10112	5.8
147.04355	1.2
147.08047	2.0
147.11674	12.4
149.05965	1.3
149.09592	5.1
149.13261	16.5
151.11221	6.6
155.08591	1.8
157.10071	5.5
159.08025	2.0
159.11684	14.8
161.09631	1.7
161.13216	2.0
163.11154	3.3
165.12764	4.4
169.10127	2.7
169.12166	1.3
171.06564	1.8
171.11685	3.1
173.04471	6.7
173.13246	2.8
175.11205	2.6
177.12683	8.1
179.14371	1.8
183.11684	2.3
183.13799	4.8
185.09666	1.4
185.13274	2.0
187.13249	8.3
187.14711	1.6
191.14270	1.3
193.12251	3.6
195.12085	2.1
195.13795	11.5
201.14862	3.2
211.13185	6.6
213.12878	1.6
213.14719	2.5
227.12741	1.7
239.14240	1.5
239.18085	1.3
249.14995	1.4
251.16362	1.3
257.17307	2.9
259.17130	1.2
265.75089	1.1
267.15985	6.4
269.17389	7.3
273.14847	1.0
273.18427	6.0
275.16586	2.4
275.20081	6.4
281.17285	2.5
283.19174	2.3
287.16611	1.7
291.16400	1.2
291.19571	3.9
297.16986	2.2
303.15948	3.1
321.16925	2.5
339.18036	6.3
349.23480	1.4
353.24597	1.5
377.19540	2.5
389.26682	1.3
395.20721	5.5
421.29486	1.5
427.22943	1.6
437.29010	21.4
445.29553	5.0
451.30545	7.7
463.30563	6.8
477.31992	4.5
495.33453	10.6
545.31079	1.5
589.33966	1.7
607.34613	13.5
621.35687	3.7
639.36047	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69116	1.1
53.03947	6.7
55.01870	4.7
55.05513	15.6
57.03436	6.5
57.08645	1.3
59.05003	1.3
64.90879	1.0
67.05505	22.5
67.68515	1.2
69.03423	14.5
69.07065	6.4
70.73663	3.3
71.04991	5.5
73.60110	1.2
79.05491	21.8
80.10861	1.1
81.03416	100.0
81.07053	23.0
82.03754	1.2
83.04980	18.6
83.08622	20.4
85.02903	21.8
85.03369	2.0
85.06542	1.7
87.04436	1.2
91.05481	26.9
93.07048	17.6
95.04970	28.1
95.08604	9.2
97.02892	14.0
97.06531	4.4
97.10178	5.7
99.04459	6.3
99.08056	2.0
105.07033	23.4
107.04947	9.0
107.08610	10.8
108.46446	1.3
109.02866	14.8
109.06534	5.8
109.10174	5.1
111.04442	13.8
111.08067	11.6
113.05971	1.9
115.05428	2.3
117.07035	3.5
119.08579	17.5
121.06528	3.3
121.10162	8.4
123.04464	2.1
123.08106	2.4
123.11759	2.8
125.09676	3.4
127.03902	7.1
128.06284	1.2
129.05508	2.7
129.06976	9.5
131.08554	12.3
133.06508	2.9
133.10129	10.6
135.08063	1.9
135.11674	2.4
135.60652	1.2
137.05981	2.1
137.09662	1.7
142.07820	3.2
145.10147	4.8
147.04387	1.6
147.08061	4.4
147.11688	17.7
149.09642	5.5
151.07431	1.2
153.12781	3.4
155.08559	1.8
157.10150	12.3
161.05997	1.5
163.11200	6.8
165.12790	3.9
173.04533	1.5
175.11214	11.2
181.12256	3.2
189.11255	1.6
191.10760	4.2
193.12247	48.1
196.28551	1.4
211.13293	70.8
217.12280	1.9
227.12788	5.9
229.14326	1.7
235.13300	2.1
249.14923	2.8
267.15909	21.4
273.14929	3.5
283.15637	1.4
285.17004	13.9
301.14548	3.9
309.17105	3.3
313.16562	1.6
319.15561	2.9
337.16577	2.2
355.17505	8.9
367.22656	2.2
375.18018	1.8
385.23801	3.8
385.93753	1.2
393.19235	4.1
403.24762	2.3
411.20078	6.7
429.21210	3.4
459.27524	10.0
477.28531	13.0
495.29526	18.1
561.30280	1.6
568.29187	1.3
573.31036	1.5
585.30566	2.4
603.31921	3.4
621.32507	10.5
639.33759	44.9
640.34021	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	639.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03786	0.6
58.57205	0.7
68.03273	0.6
70.84611	1.1
70.84960	1.1
71.37872	0.6
79.05482	0.7
105.67795	0.7
106.87428	0.8
120.02061	0.7
133.57129	0.7
172.94690	0.7
223.12337	0.7
390.18335	0.9
391.19226	2.4
392.20135	1.0
403.19516	2.4
404.20004	2.6
405.20712	6.9
417.20734	1.1
418.22018	1.7
419.22479	5.1
420.23022	6.5
421.23788	1.7
431.22519	1.1
432.23093	0.8
433.23920	3.4
434.24609	3.3
435.18243	1.9
435.25964	1.4
447.21130	4.9
449.19574	4.0
450.20496	2.5
460.22153	0.7
461.23529	1.5
463.21271	2.2
464.22144	2.7
465.22968	4.7
474.24527	0.8
476.22311	0.8
477.22882	2.8
478.23941	1.3
479.24426	35.9
480.25150	1.4
487.21219	1.0
491.24521	2.9
492.25085	1.4
493.25992	7.2
501.22681	1.3
505.26038	1.4
506.27023	0.8
507.27322	1.8
519.23718	1.7
520.28662	1.3
521.28937	1.1
534.26508	1.0
537.24951	0.9
547.27124	3.4
551.26385	9.6
564.27435	2.2
565.28674	3.4
566.28827	14.9
579.29608	11.4
580.30273	1.4
607.29120	1.3
639.31750	100.0
640.31982	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	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.01866	5.3
55.05505	18.1
56.96537	0.6
57.03176	0.7
57.03435	8.8
57.07067	0.5
65.03938	1.5
67.05499	28.1
69.03419	15.2
69.07060	7.6
71.01331	0.7
71.04987	7.4
73.02879	0.9
79.05486	24.8
81.03410	100.0
81.07047	31.9
82.03748	1.0
83.01288	0.5
83.04974	22.9
83.08609	19.1
85.02896	22.1
85.06525	2.1
87.04444	0.7
91.05473	34.2
93.07034	18.8
94.07381	0.5
95.04959	31.7
95.08591	10.7
97.02882	16.0
97.06512	5.4
97.10150	5.8
98.21512	1.2
99.04446	4.6
99.08073	1.4
101.02363	0.7
103.03967	0.7
103.05435	1.4
105.04531	0.6
105.07022	26.1
106.07359	0.5
107.04942	9.6
107.08582	11.2
109.02872	17.5
109.06496	6.1
109.10148	4.8
111.04436	13.3
111.08067	11.7
113.05990	2.1
115.05453	2.0
117.07015	4.5
119.04899	1.4
119.08567	21.0
121.06509	3.8
121.10130	11.5
123.04379	2.4
123.08039	3.1
123.11702	2.5
125.05974	1.0
125.09596	3.2
127.03911	9.3
127.07523	0.7
128.06189	1.6
129.05444	2.0
129.06989	12.8
130.07712	0.5
131.04889	1.2
131.07567	0.8
131.08554	13.0
133.06494	4.4
133.09213	0.9
133.10123	10.0
135.04396	0.7
135.08046	2.6
135.11641	2.9
137.05984	1.4
137.09610	1.7
139.03938	0.9
141.06972	0.8
142.07767	2.7
143.08537	1.6
145.04970	0.5
145.06453	1.3
145.10092	3.3
147.04379	1.5
147.08014	3.9
147.11674	18.4
149.06000	1.6
149.09618	6.5
151.03906	0.7
151.07475	0.9
151.11162	0.9
152.01884	0.5
153.01807	0.6
153.12711	2.8
155.08563	1.4
157.06488	0.8
157.10106	13.6
159.08070	0.8
161.05968	1.1
161.09666	1.0
163.11166	5.3
165.05508	0.9
165.06862	0.6
165.12758	5.0
167.07033	0.7
167.08469	0.5
171.11700	1.2
173.04422	2.3
173.05838	0.6
173.09636	1.3
175.11166	14.6
177.12733	1.0
181.10167	0.5
181.12260	3.4
183.06490	1.1
187.07516	0.7
189.05434	1.0
189.11205	1.4
189.12749	1.2
191.10690	3.5
193.12225	45.3
194.12531	0.7
195.11729	0.6
195.13817	0.7
197.13228	0.5
205.12256	1.2
207.13763	1.0
209.11681	1.8
211.13271	70.1
212.13623	1.0
213.12804	0.6
213.14781	0.9
217.12271	1.5
227.12738	5.9
229.14311	2.5
231.13795	0.7
233.15392	0.8
235.13309	2.0
243.13704	0.6
249.14894	2.2
255.13750	1.5
259.13358	1.1
265.14203	0.8
267.15875	19.3
269.12448	0.7
273.14902	2.0
277.14380	1.5
283.12793	0.7
283.15460	1.9
285.10159	2.5
285.13992	0.8
285.16971	12.6
286.10220	0.8
289.14331	0.6
291.15891	0.6
301.14172	4.7
309.16968	1.3
319.15356	2.7
337.16455	4.5
351.17798	1.2
355.17511	5.6
367.22656	1.8
375.17914	1.8
385.23740	3.1
393.19006	3.4
403.24725	1.7
411.20111	7.0
429.21152	2.0
438.17978	0.6
438.68515	1.3
459.27347	7.8
477.28375	10.4
495.29492	13.2
511.28683	1.1
519.29248	1.5
561.30939	1.0
573.30762	1.0
585.30463	2.3
603.31830	2.7
621.32648	10.0
639.33661	42.2
640.34137	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2807
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
56.36404	1.5
70.65586	2.5
70.65945	3.2
95.33900	1.3
122.09486	1.1
127.50567	1.1
133.34402	1.1
141.21204	1.1
218.97217	1.1
250.49261	1.5
281.18884	1.2
391.19244	4.5
392.20056	3.5
403.19235	1.4
404.19946	2.1
405.20737	9.6
406.21704	5.5
407.22409	12.3
419.22415	3.4
420.23022	4.5
421.23752	13.8
422.24683	2.5
433.23840	3.8
435.18146	2.0
436.19049	3.0
450.20279	1.8
451.21115	13.7
452.21967	4.7
460.22305	2.2
461.23038	2.2
464.21780	1.7
465.22769	20.3
465.32733	1.4
466.23297	1.9
475.21445	1.9
477.22568	1.8
479.24094	1.4
488.21927	1.8
489.22678	1.7
491.20569	2.2
501.22934	2.4
503.24496	11.6
504.24567	1.5
507.27704	10.5
508.28040	3.2
523.23364	3.5
533.25531	2.2
535.26996	17.7
537.25006	9.8
551.26471	6.7
552.27185	23.8
561.24957	5.0
579.25848	11.0
580.26581	5.8
595.28943	7.7
621.26965	17.3
639.28033	100.0
640.28503	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	639.2806
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
52.30803	0.2
53.03938	0.4
55.01855	0.6
55.05497	1.0
67.05501	2.6
69.07062	1.1
70.85020	0.6
70.85390	0.5
70.95253	0.2
71.85629	0.2
79.05500	1.5
81.03393	0.5
81.07062	2.5
83.04976	0.5
83.08602	0.4
91.05493	1.7
93.07047	1.9
95.04967	0.8
95.08602	1.1
97.06522	0.6
97.10217	0.3
105.07020	1.7
107.04943	0.5
107.08598	0.8
109.06519	0.6
109.10143	0.7
117.07013	0.7
119.08533	1.5
121.06495	0.3
121.10108	0.3
129.06955	0.6
131.08578	0.6
133.06544	0.3
133.10167	0.8
135.08023	0.3
135.11656	0.4
143.08603	0.3
145.10127	0.6
146.06068	0.3
147.08122	0.3
149.09637	0.3
159.11694	0.4
161.09592	0.4
163.11250	0.3
165.53305	0.2
171.11650	0.3
173.13271	0.3
204.06590	0.6
209.08093	0.4
211.12364	0.3
213.10356	0.4
223.08684	0.3
225.10291	0.7
235.08669	0.3
236.05531	0.2
237.10355	0.4
239.11642	0.5
249.10187	0.6
251.11823	0.4
267.03375	0.3
273.18616	0.7
275.20053	1.3
277.09790	0.4
291.19507	1.3
311.13956	0.4
314.12949	0.5
314.16635	0.2
326.12820	0.4
328.14597	0.4
349.23904	0.3
354.16055	0.4
365.17557	0.3
379.19434	0.5
383.34039	0.3
391.15369	0.6
392.16165	0.4
393.17130	1.0
393.21494	0.4
394.21841	0.3
405.17111	1.1
406.17981	1.0
407.18549	2.4
418.18057	0.4
419.14709	1.0
419.19662	1.4
420.15540	1.1
420.20032	0.5
421.20407	5.6
422.21033	1.3
423.21683	0.9
431.19293	0.6
432.19559	0.5
433.21060	1.7
434.16614	1.7
435.17032	2.0
435.22433	0.8
436.22955	2.0
445.15845	0.6
445.21112	0.5
447.17142	0.6
447.21841	1.2
448.18640	2.7
449.19626	9.9
450.20425	2.2
459.17834	1.5
460.18695	0.6
461.20071	1.7
462.20633	0.6
463.21585	5.9
464.22159	5.1
465.22699	0.8
474.20782	0.6
475.21548	2.1
476.22882	0.5
477.18799	5.5
478.19833	2.2
479.20657	0.7
480.21655	0.4
487.21381	0.4
488.20972	0.3
491.21140	1.1
492.21619	0.6
493.22443	1.1
494.22891	0.3
495.23923	0.5
504.21500	0.4
505.22275	0.9
507.23639	1.0
509.25558	0.7
519.23962	0.4
521.21777	1.0
523.22992	1.7
533.22076	1.0
535.23462	3.3
536.24408	1.5
537.21960	0.9
547.22925	0.3
549.21210	0.4
550.25989	1.0
551.26324	2.4
561.24847	3.1
563.22870	0.7
564.23676	4.4
565.24469	2.4
567.25671	0.5
579.26007	6.6
581.24298	0.6
592.22449	0.3
595.25391	3.1
596.26263	1.0
607.25537	0.5
610.27637	0.9
611.29468	0.4
621.26947	3.6
622.26282	0.3
624.25696	5.6
639.28052	100.0
640.27936	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	637.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.6
55.01866	5.8
55.05510	25.8
56.96702	2.3
57.03432	11.7
57.19966	2.3
65.03925	4.2
67.05504	70.3
69.03426	15.0
69.07069	20.5
71.04986	8.0
73.02903	3.3
73.06558	2.1
75.36570	2.6
79.05492	81.4
81.02972	3.8
81.03416	47.6
81.07053	82.6
82.07361	2.0
83.04986	31.1
83.08628	13.9
85.02895	6.7
85.06534	4.6
91.05478	71.4
93.06461	5.0
93.07044	80.4
94.09000	2.3
95.04969	25.6
95.08609	33.0
97.02880	12.5
97.06528	10.5
97.10158	2.9
99.04453	2.5
101.02436	2.2
105.07028	46.5
107.04955	8.9
107.08585	29.8
109.02887	4.0
109.06516	10.9
109.10163	6.4
111.04430	7.7
111.08083	7.6
117.07024	17.3
119.08577	25.7
121.06499	4.0
121.10162	12.4
123.04452	3.4
123.08043	7.0
123.11726	2.7
125.09636	2.2
126.82166	2.2
127.03918	9.1
128.06204	2.3
129.05481	7.0
129.06979	14.0
131.08537	16.4
133.10124	17.2
135.11705	5.4
138.22009	2.4
141.06995	2.7
143.08533	12.2
145.06470	3.8
145.10117	13.4
147.08060	5.3
147.11684	36.3
149.09579	2.2
149.13264	11.6
159.11685	10.1
161.09642	3.0
161.13234	10.9
168.05115	2.2
169.10088	2.3
171.11656	26.8
173.04451	3.3
177.12738	5.3
189.12738	9.8
195.13795	10.8
207.13763	29.5
219.13820	3.3
225.14771	3.4
266.17130	2.4
267.15854	4.9
269.17456	8.8
281.17462	52.5
306.33701	2.2
339.18057	8.0
372.28629	2.4
395.20728	8.5
413.21805	21.2
457.29553	3.7
475.30515	100.0
476.30905	3.8
619.34662	40.8
637.40759	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	637.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20897	3.0
53.03942	11.8
55.01879	7.1
55.05512	25.5
57.03430	11.1
59.04992	2.8
65.03944	7.4
67.05503	91.5
69.03430	23.5
69.07065	28.2
69.18631	2.7
69.50859	15.5
69.51276	6.1
71.04996	6.8
79.05496	85.7
81.03420	49.0
81.07057	96.8
83.04980	28.2
83.08629	16.1
83.16875	2.9
85.02922	13.9
85.06557	5.2
86.65375	2.8
89.76637	2.6
91.05479	67.5
91.06010	5.4
93.07042	100.0
95.04973	32.8
95.08609	36.7
97.02901	11.1
97.06528	15.3
99.04479	5.0
105.07035	47.7
107.04939	9.6
107.08595	37.8
109.02875	6.0
109.06519	10.9
109.10153	5.8
111.04446	4.8
111.08111	4.9
117.07014	27.2
119.08573	22.4
121.06481	5.4
121.10172	19.3
123.08067	7.1
127.03934	8.9
128.06194	6.9
129.05505	5.1
129.06992	18.9
131.04900	3.9
131.08536	19.6
133.06517	6.6
133.10159	14.5
135.11665	6.9
141.06950	6.6
143.08553	16.0
145.06488	10.6
145.10117	8.5
147.07997	6.9
147.11684	29.7
149.13258	26.8
157.06621	3.0
157.10069	5.1
159.08086	6.7
159.11710	15.0
161.09686	5.3
161.13260	10.5
167.08582	6.7
171.08046	7.7
171.11673	26.6
177.12750	9.3
179.14360	5.9
181.10136	3.8
184.06384	3.2
185.09634	3.8
185.13275	4.0
189.12691	14.5
195.13821	13.1
207.13808	23.9
222.30331	3.0
223.14828	4.3
225.14873	3.8
241.15936	4.8
251.14140	4.0
259.17093	3.7
267.15839	3.9
269.15167	5.3
269.17538	42.0
269.94235	3.0
281.17468	28.3
287.16528	15.1
351.18222	4.6
361.20267	3.6
384.14856	3.3
413.21689	10.3
475.23984	6.1
475.30563	99.9
475.37347	6.2
489.32156	6.7
555.32874	6.5
619.34540	17.5
637.35254	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.3
55.01855	6.2
55.05509	31.7
57.03436	16.0
57.07070	3.6
65.03922	3.7
67.05503	85.9
67.38499	1.9
69.03431	20.4
69.07064	24.0
69.32790	3.7
69.33194	24.2
71.04988	9.2
73.02895	2.4
79.05489	96.5
81.03417	54.5
81.07054	90.8
83.04978	45.1
83.08619	16.2
85.02901	12.9
85.06542	3.5
88.85965	2.2
91.05476	80.7
91.20531	2.8
93.07034	95.7
95.04962	24.9
95.08601	37.5
97.02871	12.2
97.06529	14.3
97.10192	4.7
99.04441	5.6
99.08078	3.6
105.07033	51.0
107.04942	13.0
107.08591	35.0
109.02886	6.5
109.06518	10.1
109.10158	10.4
111.04430	7.8
111.08100	5.0
117.06998	17.0
119.08583	29.6
121.06528	7.4
121.10167	12.8
123.08073	7.0
123.11754	5.5
127.03925	8.5
128.06212	4.1
129.05449	7.0
129.06993	23.4
131.08569	14.7
133.10120	19.6
135.11700	10.0
143.03404	2.9
143.08539	13.1
145.06487	4.2
145.10115	14.7
147.08089	5.2
147.11664	47.6
149.05945	2.5
149.13263	13.5
153.92143	2.8
156.97632	2.7
157.10144	4.1
159.11729	11.1
161.09587	4.3
161.13261	10.8
163.11185	3.7
169.10155	2.6
171.11691	26.0
173.04472	4.9
177.12747	7.5
189.12718	12.0
195.13853	8.5
207.13777	35.2
225.14812	4.9
246.96669	2.7
269.17508	13.2
281.17474	65.2
321.17151	2.7
339.17969	7.4
389.19553	3.3
395.20746	5.9
413.21631	26.1
455.02942	2.5
475.30551	100.0
476.30859	4.2
619.34619	47.1
637.25500	3.3
637.40533	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	637.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.2
55.01879	5.9
55.05507	17.0
57.03435	11.3
57.07066	1.5
61.02908	5.2
64.97237	1.1
65.03922	3.1
67.05502	56.7
69.03115	1.4
69.03426	13.6
69.07063	12.4
71.01337	1.9
71.04996	8.3
73.02915	3.0
77.03900	1.1
79.05487	54.8
81.03410	37.1
81.07052	59.6
83.04975	17.3
83.08607	10.6
85.02907	14.3
85.06535	4.5
91.03924	2.1
91.05474	43.4
93.07037	55.7
95.04971	19.0
95.08602	27.8
97.02880	12.7
97.06530	7.7
97.10177	2.5
98.21486	3.9
99.04456	5.7
99.08102	2.9
101.02367	2.9
105.04517	1.4
105.06371	2.1
105.07027	26.4
107.04956	10.6
107.08590	24.3
109.02867	5.4
109.06485	6.7
109.10133	10.3
111.04469	6.1
111.08048	3.7
115.03926	1.5
115.05480	2.8
117.06997	13.0
119.04949	1.6
119.08569	16.7
121.06497	4.0
121.10137	13.3
123.04420	2.3
123.08057	4.8
123.11707	2.4
125.09593	1.5
127.03891	7.1
127.07516	1.5
128.06209	3.8
129.05463	3.5
129.06993	13.1
131.08551	13.4
133.06470	3.8
133.10117	12.2
135.04369	1.3
135.08003	3.7
135.11662	6.2
137.05911	1.5
137.09618	1.7
141.07030	2.8
143.08543	8.6
145.06464	5.2
145.10133	9.0
147.04384	1.7
147.08052	3.9
147.11671	17.8
147.56062	1.1
149.09618	2.5
149.13239	14.0
151.11179	1.8
155.08522	1.6
157.06410	1.3
157.10184	2.9
159.08072	3.3
159.11671	8.0
161.09590	3.4
161.13251	4.3
163.11182	1.8
165.12770	1.6
167.08568	1.7
169.10210	1.4
171.08070	3.5
171.11687	11.5
173.04420	3.4
173.11743	3.3
173.13206	2.7
177.12791	4.2
185.09587	2.0
189.12715	5.5
190.30223	1.2
193.12267	1.6
195.11850	1.5
195.13794	6.9
207.13774	13.5
221.15306	1.7
223.14862	1.2
225.14856	2.6
241.16048	1.9
243.08426	2.0
245.15553	1.5
247.13103	2.2
257.15317	1.2
259.16931	2.9
263.16580	2.0
267.15970	2.5
269.15271	2.9
269.17596	18.8
275.16382	1.4
279.15875	1.6
281.17477	15.7
287.16272	7.1
315.16138	1.4
321.16647	1.3
339.18097	2.6
351.17944	1.6
356.25848	1.4
361.20267	1.4
395.20990	1.6
413.17236	7.9
413.22455	2.6
425.22028	2.1
461.28644	1.6
465.21085	4.1
475.30560	39.0
484.65717	1.3
489.32092	3.3
517.31403	1.5
555.33032	3.6
619.34821	10.6
637.31842	100.0
638.32257	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	637.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71268	2.4
53.03951	13.9
55.01864	8.1
55.05505	28.5
57.03433	13.4
62.26999	2.6
65.03925	7.6
67.05498	85.4
69.03411	16.2
69.07053	20.3
71.04984	9.7
73.02907	3.7
79.05485	84.4
81.03407	46.9
81.03852	3.8
81.07049	79.9
83.04974	33.0
83.08599	18.3
85.02909	10.6
85.06535	4.9
91.05470	67.5
91.06006	4.6
93.07032	90.1
93.07626	4.6
95.04958	32.0
95.08596	41.3
97.02884	11.1
97.06498	13.2
97.10159	4.5
99.04425	3.1
99.08087	3.0
103.05452	3.0
105.07020	48.6
107.04943	10.0
107.08580	33.1
109.02879	10.0
109.06497	9.4
109.10134	7.9
111.04442	5.3
111.08069	5.0
117.07005	21.7
119.08575	27.4
121.06480	6.0
121.10121	17.5
123.04440	2.1
123.08074	4.3
123.11723	4.3
125.09682	2.4
127.03920	11.6
128.06219	5.7
129.05479	4.6
129.06989	20.0
131.04948	2.2
131.08548	16.8
133.06430	5.2
133.10132	18.2
135.08070	4.4
135.11674	9.5
139.11110	2.7
141.06978	3.4
143.08578	14.5
145.06496	6.4
145.10097	12.6
147.08066	6.3
147.11676	34.4
149.06070	3.3
149.09592	3.1
149.13237	20.0
150.58411	2.3
155.08568	2.9
157.06410	3.7
157.10098	4.7
159.11671	18.2
161.09592	2.9
161.13214	6.0
165.09061	2.6
165.12744	4.7
169.10123	3.2
171.11693	23.7
173.04474	5.3
173.09474	2.8
173.13281	4.4
177.12758	6.8
189.12721	13.8
195.13808	8.2
207.13751	27.0
225.14842	5.7
229.23267	2.9
269.15332	3.6
269.17587	22.8
281.14615	4.7
281.17462	50.0
287.16266	5.6
339.17886	5.2
395.20700	3.0
413.21548	12.6
475.30493	100.0
489.31995	3.5
512.95673	2.3
555.33368	2.9
619.34619	32.9
637.35632	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	637.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26576	0.6
71.12734	1.0
75.05080	0.5
84.02123	0.6
97.20899	0.7
104.75068	0.6
152.16972	0.7
222.35661	0.7
225.14420	0.7
230.23488	0.7
247.90384	0.6
367.52097	0.7
389.18250	0.8
389.82761	0.7
391.19446	2.4
392.19922	1.2
399.16269	0.9
400.16870	1.5
401.17538	1.0
403.19592	1.3
404.20651	0.9
405.20993	3.6
406.21454	4.5
412.18320	0.8
413.17648	2.1
414.18536	2.5
415.19083	4.7
416.20789	1.2
417.20950	1.9
419.22366	2.0
419.27548	0.8
420.23102	4.1
421.23843	7.8
427.19525	1.0
428.20065	1.8
429.20862	9.4
430.21677	3.1
431.22900	0.8
433.19678	1.7
433.24655	1.3
434.24887	1.4
442.21310	2.1
443.22388	7.0
444.23376	3.4
445.19968	4.0
446.20929	1.1
447.18134	2.1
455.18872	1.1
456.19238	1.6
457.19186	1.3
457.24005	2.9
458.24753	6.4
459.22067	6.7
460.22964	4.1
461.19391	6.2
470.21152	0.7
471.21707	2.7
472.22748	6.0
473.19751	2.3
473.24329	0.9
475.20749	3.0
476.21823	4.1
477.27350	0.8
484.18747	0.8
485.23492	13.9
486.25253	4.0
487.20926	1.3
488.22137	5.3
489.22922	1.0
493.22272	0.8
499.21530	1.4
500.22028	1.4
502.23547	1.3
503.24374	17.8
504.21518	0.9
505.22214	0.7
513.23010	2.4
514.23621	1.1
517.25989	8.3
529.25848	1.7
530.23712	0.8
535.27014	19.7
545.25452	75.3
546.25787	2.4
549.24792	0.7
563.26489	3.7
573.24988	14.5
577.28259	1.1
578.28485	1.0
605.27582	80.9
606.27692	2.1
637.30200	100.0
638.30499	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	637.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
71.59484	1.2
98.51419	0.7
134.35609	0.7
160.57022	0.9
261.47385	0.7
269.49158	0.7
307.39856	0.8
401.17978	0.8
405.20770	0.9
417.16226	0.9
417.21158	1.7
419.22507	0.9
430.17334	1.1
431.18756	2.5
443.18784	1.8
444.19360	1.4
445.19925	6.7
446.21417	1.8
458.21002	6.6
459.21677	4.9
460.22791	4.8
461.19745	2.7
468.95926	0.9
472.01071	0.7
475.21445	1.8
477.23230	1.9
491.24811	2.0
505.22321	1.1
517.23010	0.9
518.23114	4.4
533.25458	3.1
535.23358	1.3
545.25299	2.3
546.26617	1.8
573.25592	0.9
577.26807	1.3
605.27570	14.6
606.28003	1.2
637.30170	100.0
638.30518	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	637.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08735	0.6
57.07072	1.5
60.86975	0.6
60.91672	0.7
67.05502	5.4
68.51888	0.7
69.07067	1.5
69.41436	2.2
69.41867	4.3
71.08618	1.6
71.81641	0.7
72.08149	5.1
74.98990	0.6
78.77052	0.6
81.07050	2.2
89.33474	0.6
90.45999	0.6
91.05469	1.4
92.63334	0.6
93.07019	0.7
95.08605	2.0
98.06481	0.7
105.07006	0.9
109.06536	0.8
109.10150	3.9
145.10139	0.9
170.05779	2.4
182.09727	0.8
211.13441	1.1
221.10956	0.9
314.63095	0.7
326.53409	0.7
342.83841	0.7
363.16257	1.0
377.17694	2.0
378.18372	1.6
386.15567	1.3
387.16232	1.2
389.17825	2.0
391.19214	3.1
392.20120	2.5
393.20840	3.1
399.16138	1.9
400.16837	3.2
401.17523	3.7
403.19388	1.6
404.20413	0.8
405.16507	0.9
405.20837	2.3
407.22357	5.8
413.17770	2.0
414.18408	3.1
415.19479	5.9
416.20367	1.3
419.18347	1.4
419.23047	1.0
421.20099	4.8
427.19647	1.5
428.20319	2.7
429.21561	5.5
430.22046	1.8
431.18503	1.0
433.15991	1.0
435.21771	4.4
436.22803	1.0
441.17368	1.4
442.17905	1.3
443.17966	2.1
443.22519	3.5
444.18927	4.5
445.20432	2.1
446.21158	1.2
447.18216	2.8
447.23074	1.0
448.19315	1.0
456.19394	1.0
457.20639	3.7
458.21207	3.0
459.17853	1.6
461.19241	1.3
462.20352	1.7
463.21112	1.1
465.35538	1.0
467.37344	3.6
468.37650	2.9
471.22400	6.1
472.23337	3.5
473.19281	4.8
474.20724	2.3
475.17075	1.2
475.21756	1.1
476.18350	0.9
485.19861	3.6
486.20407	4.3
487.21817	3.5
488.22461	1.2
489.18951	2.5
489.23285	2.6
490.19534	4.2
491.20862	1.6
499.21246	10.1
500.21680	2.1
501.19464	1.2
503.24518	2.5
513.18994	6.3
514.19702	2.0
516.21942	1.4
517.22430	16.1
519.20422	0.8
521.25653	2.2
527.20801	2.9
528.21637	1.4
529.22186	1.5
531.24438	9.6
543.23737	1.3
545.21857	1.6
549.25067	8.2
559.23395	68.4
560.23370	1.5
577.24261	3.2
587.22900	12.6
591.26031	4.5
605.23755	7.7
609.26990	1.7
619.25470	68.7
620.25562	1.4
637.26526	100.0
638.26483	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	637.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07016	0.6
67.05427	2.1
69.38091	1.5
69.38524	1.7
71.08574	0.5
72.08077	2.0
80.09278	0.4
81.07004	0.5
83.08549	0.5
86.21919	0.4
91.05399	0.5
95.08521	0.7
96.37589	0.4
103.40970	0.3
109.10064	1.2
170.05731	0.8
221.10724	0.5
223.12288	0.7
233.10580	0.4
249.10204	0.5
297.09891	0.4
302.45502	0.3
331.46225	0.3
372.14145	0.4
373.14835	0.5
374.16248	0.5
375.16736	0.5
377.17676	1.0
378.18246	0.8
379.19095	0.4
385.14651	0.9
386.15274	1.0
387.16052	1.0
388.17740	0.7
390.19525	0.6
391.19324	1.7
392.19662	1.2
393.20721	2.1
397.14093	0.4
398.16522	0.5
399.16113	2.5
400.16882	3.0
401.17715	3.6
402.18451	1.0
403.19217	1.0
405.16263	0.6
405.20819	1.0
406.21851	0.5
407.22229	3.1
410.15616	0.5
411.16794	0.6
412.17102	0.5
413.17737	2.9
414.18469	5.1
415.19357	8.0
416.19778	1.3
417.16360	0.6
417.20853	1.2
418.18381	0.6
419.18451	0.7
419.23096	0.4
421.20224	2.6
425.17517	0.9
427.20084	1.7
428.20575	3.0
429.21228	8.4
430.21777	3.5
435.21753	1.9
439.19522	0.6
441.16879	1.8
442.17404	1.9
443.18063	3.0
443.22433	4.7
444.18707	5.9
445.20221	2.5
447.17865	1.0
455.18750	0.8
456.19330	1.5
457.20486	6.6
458.21088	4.2
459.21970	0.9
461.19440	0.9
462.20313	0.8
463.20978	0.4
467.37225	0.8
468.37863	1.6
469.16397	0.4
470.16776	0.7
471.22281	8.1
472.23145	6.0
473.19559	4.6
474.20453	1.2
475.21625	0.6
484.18802	1.4
485.19876	3.6
486.20432	7.6
487.21124	3.9
488.21945	1.4
489.22528	2.1
490.19843	3.9
491.20840	0.9
498.20303	0.5
499.21262	11.5
500.22607	4.0
501.22473	0.6
502.19989	1.2
503.24866	5.2
512.18292	0.5
513.19312	1.2
514.19830	1.5
516.21497	1.9
517.22247	4.5
518.21320	0.4
521.25452	0.5
527.21014	2.5
528.21442	1.4
530.23547	0.7
531.23871	13.7
541.22174	0.6
543.23840	1.6
544.21545	0.5
545.21570	0.8
549.24512	1.1
559.23358	100.0
560.23785	3.1
577.25122	0.4
587.22882	17.8
588.23157	0.5
591.25879	0.6
605.23932	0.7
619.25452	90.0
620.25830	3.5
637.26465	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51556	0.1
53.03945	0.5
55.01870	0.4
55.05497	0.2
57.03430	0.3
61.02914	0.4
65.22832	0.1
67.05497	0.6
69.03426	1.0
72.25848	0.1
75.04485	0.2
77.03925	0.3
78.24168	0.1
79.05489	1.7
81.03420	0.5
81.07050	0.5
83.01345	0.4
83.04977	0.2
83.08597	0.2
85.02904	2.2
86.28177	0.1
91.05482	1.2
93.07041	0.6
95.04977	1.1
95.08601	0.4
97.02910	0.8
97.06499	0.3
99.04444	0.4
100.75642	0.1
102.04588	0.1
103.05466	1.6
105.04501	0.2
105.07031	7.3
106.07245	0.1
107.04952	23.6
107.08575	0.3
109.02892	0.2
109.06509	0.4
109.10130	0.3
111.04465	0.2
115.05449	0.8
117.07040	0.9
119.04945	0.4
119.08572	0.4
121.02880	0.6
121.06501	7.3
123.04458	0.2
123.08067	1.3
125.05940	0.1
127.03926	0.4
129.05487	0.7
129.06982	0.2
131.04926	17.4
132.05682	0.5
133.06485	12.6
135.04379	0.3
135.08044	0.9
136.05197	0.5
137.05962	0.4
137.09607	0.5
137.17897	0.1
138.06773	1.0
138.41170	0.1
139.03923	0.2
139.07544	0.4
144.05725	0.3
145.05011	0.3
145.06479	7.2
147.04416	0.5
147.08040	0.6
149.05972	0.5
150.06726	0.2
151.07533	1.2
153.05457	0.2
153.09088	2.0
154.06244	0.6
155.06036	0.2
157.06514	0.3
159.08054	0.7
161.05974	0.9
163.07541	0.5
165.06923	0.2
165.09126	1.6
166.06201	0.7
166.09898	0.4
167.07025	0.8
167.08501	0.3
168.07863	0.3
169.08614	1.5
173.05948	0.7
175.07510	0.4
177.05588	0.2
177.89383	0.1
178.06377	0.2
178.07797	0.6
179.07030	0.4
179.08507	0.2
181.08591	19.1
182.07240	0.2
182.09352	1.0
183.08102	0.4
183.10158	1.5
185.05992	0.2
186.06757	0.2
187.07481	0.8
189.05496	0.3
190.06322	0.2
191.07048	0.7
191.08595	0.2
191.10616	0.2
193.08578	0.8
193.10149	0.5
195.08046	1.2
195.10120	0.8
196.08862	0.3
197.09682	0.2
202.07779	0.3
203.08546	0.3
204.07829	0.2
205.06631	0.3
205.08578	0.9
205.10123	0.1
206.07259	0.9
206.09329	0.4
207.08086	0.7
207.10101	0.3
207.11862	0.2
208.08809	0.6
209.09590	0.5
210.10342	1.1
211.07587	0.6
211.11174	0.6
211.12978	0.1
219.08189	0.2
219.10182	0.9
220.08813	0.3
221.09618	3.5
222.10400	1.6
223.07556	1.5
223.11096	0.7
224.08345	0.5
225.09160	0.5
225.12770	0.4
226.09854	0.2
227.07048	0.3
227.10670	0.5
234.06816	0.2
235.07596	0.2
235.11166	0.5
237.09041	1.0
238.09872	4.9
239.10629	1.9
244.72600	0.1
248.08336	0.4
249.06758	0.2
249.09116	2.9
250.09909	1.0
251.06931	0.8
251.10716	0.8
252.07964	0.2
252.11255	0.3
253.12228	4.7
254.12921	0.7
255.10130	1.0
263.10568	0.3
265.08606	1.4
265.11313	0.2
265.12186	0.2
266.09381	3.0
267.10196	2.4
267.13251	0.3
270.12485	0.6
280.10843	0.4
281.11716	8.8
282.09003	0.3
282.12418	1.8
283.09656	4.6
285.14911	0.8
295.13199	0.4
297.11252	1.8
298.11978	3.8
313.14319	100.0
314.14670	0.9
475.26486	0.2
637.32013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37627	1.3
56.96563	15.7
62.30729	1.4
62.72381	1.6
69.25475	11.1
69.25892	5.5
74.00626	1.3
77.00883	2.1
82.99850	3.2
84.96034	8.2
85.02893	2.6
97.02907	3.8
98.97572	38.1
101.00876	15.2
109.02867	3.4
110.97553	8.6
113.00880	3.8
116.98614	22.0
119.01915	62.1
120.02058	1.9
123.04440	4.2
127.02403	2.1
128.98605	12.6
131.00233	2.0
131.01898	32.0
132.98024	1.4
133.03476	2.3
134.99646	9.0
137.02966	11.9
140.98611	2.4
143.00165	5.9
143.01891	31.0
145.01643	2.3
145.03458	16.8
146.99643	11.6
147.01379	9.2
147.04259	1.8
149.02911	8.2
150.99153	3.8
155.01875	25.8
157.03448	9.3
158.99669	10.2
159.01358	1.9
160.02129	2.6
161.01274	8.0
161.02963	47.1
163.04510	2.9
165.00703	1.7
167.01920	7.3
168.02711	4.5
169.03491	9.0
170.99652	11.1
171.01131	2.7
171.05046	3.4
173.01477	2.2
173.02951	55.7
173.04471	2.8
174.99149	2.0
175.04536	4.6
177.00708	11.4
177.02452	13.7
179.02013	3.7
181.03447	23.3
182.99683	5.4
183.05048	13.1
185.02943	53.2
186.03618	2.0
187.04584	7.1
189.00714	15.1
189.02480	7.6
191.01947	4.4
191.03888	3.3
193.00378	8.0
193.01700	7.8
193.03496	5.7
195.05070	2.5
197.02914	21.6
199.04515	12.0
201.00696	28.3
201.02495	3.7
201.06093	5.3
203.02234	2.4
203.03996	19.8
203.74570	1.4
205.00308	1.8
205.03442	17.4
207.01610	5.6
207.05034	3.9
209.02966	20.6
210.03696	3.1
211.02763	12.5
211.04579	12.8
213.00729	2.1
213.06290	1.6
215.04025	11.3
217.03535	2.0
219.01735	27.3
219.03525	2.2
219.05162	1.9
221.02936	7.6
221.05078	7.1
223.01067	2.5
223.04501	40.2
225.02385	4.2
225.06104	3.3
227.04013	18.9
229.03629	2.7
229.05609	13.7
231.01683	2.5
233.02954	7.8
235.02605	2.1
235.04663	3.3
237.02531	45.0
237.06128	3.6
239.04021	12.6
241.03503	2.4
241.05632	5.0
243.01727	7.2
245.05070	100.0
246.05533	2.1
246.24988	1.7
247.04529	17.2
249.02473	2.2
249.06198	4.5
251.01796	2.0
251.04083	27.1
253.05579	5.1
255.01335	2.8
255.03716	22.8
257.05054	5.4
259.04654	3.4
261.02615	31.9
263.03653	7.2
263.06241	15.2
265.02588	2.3
265.05603	28.3
267.03558	9.2
269.05103	5.1
273.02539	3.2
275.03836	3.5
275.06305	9.0
277.01785	8.5
277.05811	7.1
279.03613	49.4
283.06717	10.6
287.03882	2.9
287.06638	1.8
289.05679	3.5
291.03650	8.2
291.06949	1.4
293.04697	10.2
293.07840	2.9
295.03015	37.2
295.06509	6.2
297.02527	5.8
297.04697	8.7
301.05685	2.2
305.07486	10.4
307.06387	7.6
309.04660	3.0
311.06100	43.0
313.04068	25.2
314.04608	1.7
315.03854	3.2
321.04959	14.0
323.05981	5.6
325.07672	4.9
333.04831	2.7
335.08383	3.3
337.04163	6.4
337.07791	1.9
339.05646	4.6
341.07202	6.2
347.06284	3.0
349.07596	4.6
351.05841	5.0
353.07333	9.6
355.05063	16.1
355.08746	2.4
357.06949	2.0
363.05646	2.5
365.09216	10.6
367.05225	5.9
367.09216	2.7
373.06180	41.5
377.07150	3.0
381.06726	24.3
385.06030	17.4
391.07236	6.6
395.08246	32.3
397.06238	3.4
399.07690	29.6
403.07175	7.6
413.09198	33.4
415.07233	20.2
421.06250	5.9
427.07776	9.7
433.07938	2.3
439.07242	34.9
447.20758	1.7
457.08218	63.3
458.08118	2.0
475.09290	82.5
476.09796	2.5
493.10693	3.4
547.13763	3.6
561.11292	29.8
575.14685	4.8
601.10669	2.2
637.14063	60.8
638.14337	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82607	0.5
55.05504	4.9
56.05020	0.7
57.03433	0.9
57.07072	15.0
59.04999	1.6
65.03928	1.2
67.05499	46.4
68.20311	0.6
69.07068	3.4
70.06580	2.7
70.73170	1.7
71.04997	1.2
71.08629	13.8
72.08150	77.3
73.69296	0.6
79.05499	1.7
81.07049	13.7
83.08617	6.8
85.06541	1.6
85.10176	7.3
90.09177	0.7
91.05478	2.7
93.07038	1.8
95.08601	12.2
97.10177	2.4
99.08096	0.7
99.11764	0.7
105.07117	0.6
107.08607	0.6
109.10151	37.1
111.08090	1.0
119.08550	2.7
123.11722	1.2
137.09616	1.3
155.10709	1.6
170.05765	32.5
173.11722	7.0
195.34952	0.6
216.74347	0.5
229.14423	0.8
239.23732	3.0
467.37308	100.0
468.37735	4.8
495.98538	0.6
499.21674	0.6
559.23431	3.7
587.23059	0.9
619.25488	4.6
636.41748	2.1
637.26843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49116	1.9
56.96564	35.9
69.91943	9.6
74.97598	3.7
84.96027	21.3
92.91775	1.9
97.02938	2.3
98.29357	1.6
98.97580	88.0
101.00882	3.9
102.97044	2.3
110.97563	19.5
116.98611	59.5
119.01914	23.4
123.04475	2.2
124.99119	2.0
126.96980	1.9
127.00592	2.1
128.98607	36.6
131.00128	4.5
131.01903	11.7
132.98090	4.5
134.99649	21.3
137.02980	5.2
140.98595	7.4
143.00172	13.4
143.01884	10.8
144.98076	2.7
145.01674	3.1
145.03474	7.6
146.98598	2.9
146.99654	25.0
150.99136	12.5
152.98587	2.4
155.01889	13.1
157.03461	4.0
158.99658	32.3
161.01241	17.6
161.02965	19.2
167.02022	2.9
169.00214	3.7
169.03487	3.4
170.99660	32.6
171.04948	2.1
173.02945	20.2
174.99106	3.5
177.00732	27.7
177.02452	7.6
179.02144	3.4
181.03459	8.1
182.99634	15.3
183.03426	2.4
183.05057	6.8
185.01340	3.6
185.02930	23.2
187.04529	2.9
189.00708	46.5
189.02332	3.9
191.02034	3.9
193.00204	23.1
193.01778	18.8
193.03383	3.7
195.01685	3.6
195.05183	1.7
197.01302	3.2
197.02899	10.7
199.04535	2.8
201.00693	79.1
201.02559	4.1
201.06023	3.0
203.02296	3.5
203.04031	9.9
205.00208	2.6
205.03465	7.2
207.01692	7.1
209.03023	6.9
209.33551	2.0
211.01189	3.5
211.02846	32.2
211.04587	6.0
213.00697	6.1
215.04019	7.4
217.00143	2.1
219.01752	75.7
221.02953	6.2
221.05054	4.4
223.01091	2.8
223.02879	3.0
223.04605	19.3
225.02469	2.3
227.04036	6.2
229.00224	2.0
229.05582	4.5
231.01735	8.6
233.03008	2.5
235.02815	8.2
237.02731	46.3
239.04077	3.7
241.03842	4.5
243.01772	29.5
245.03279	2.4
245.05103	45.7
247.04672	8.9
249.02562	2.9
251.02182	6.0
251.04117	7.9
253.03729	3.5
255.01492	23.0
255.03786	6.9
261.02786	100.0
263.03836	3.7
263.06168	7.0
265.02466	7.9
265.05661	12.4
267.03519	3.9
269.03110	12.3
273.02713	17.7
275.06244	4.2
277.01785	3.8
279.03894	65.8
283.06915	3.7
287.03860	2.8
291.03796	18.0
295.03049	21.9
297.02322	22.2
302.05142	1.9
305.07355	5.2
307.03378	3.5
309.05127	2.7
311.06213	19.8
313.04501	11.4
315.03906	12.6
318.44946	1.8
319.03268	3.8
321.04926	35.4
321.08456	2.9
323.05731	2.1
327.04208	1.9
331.03247	2.8
333.04861	7.0
339.05612	2.0
351.05927	13.5
353.06940	6.7
355.04587	6.9
365.09381	3.4
373.06244	17.6
381.05978	20.0
385.05994	9.3
395.08206	15.6
399.06311	31.2
403.07242	3.1
413.09158	13.7
415.07178	9.9
416.31744	1.8
421.06311	4.3
427.07635	24.5
433.08664	1.9
439.07312	16.6
455.06924	3.0
457.08374	47.3
475.08463	46.4
547.13025	3.6
561.11267	84.9
575.13245	3.2
601.10559	3.7
637.13318	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
55.05504	16.6
56.96561	1.6
57.03432	14.1
59.04990	4.5
61.02919	5.6
67.05502	79.0
69.03407	6.2
69.07065	6.7
71.04990	5.3
71.60436	2.8
73.02915	1.8
79.05494	17.3
81.03416	46.1
81.07055	27.3
83.04992	10.6
83.08616	16.3
84.16974	1.8
85.02911	20.0
85.06530	2.8
91.03940	3.4
91.05479	26.8
93.07031	14.2
95.04965	17.9
95.08611	12.1
97.02901	5.6
97.06516	3.9
97.10178	2.8
105.07008	15.2
107.04946	4.7
107.08582	7.1
109.02878	2.0
109.06527	4.0
109.10153	69.0
111.04443	2.4
111.08070	7.0
113.05972	1.8
117.07018	2.7
119.05024	1.5
119.08573	16.5
121.06483	2.3
121.10150	5.1
123.04418	2.5
125.09589	2.5
129.06992	7.1
131.08546	6.3
133.06458	2.9
133.10092	7.6
135.11664	2.2
137.09604	3.1
147.04411	22.0
147.11658	9.8
149.09615	5.1
155.10632	3.1
157.10069	9.7
165.12727	2.0
173.11731	16.6
175.11172	8.7
175.14732	1.5
193.12244	26.0
211.13263	40.8
229.14336	63.0
267.15903	13.5
271.31454	1.6
282.23093	1.7
285.16956	32.8
314.42041	1.4
329.13925	2.3
376.58823	1.9
412.17578	1.9
421.25882	17.8
439.26874	100.0
440.27054	3.2
632.10162	2.0
637.32104	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	635.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
53.03942	11.0
53.31053	1.0
55.01860	7.2
55.05259	1.7
55.05509	28.1
55.94227	1.2
57.03434	9.1
65.03931	5.8
67.05499	56.1
69.03423	21.9
69.07064	9.7
71.04998	7.9
71.30875	2.9
73.06570	1.3
77.03959	1.5
79.05486	75.6
81.03411	100.0
81.07050	58.5
82.03739	1.2
83.04978	32.4
83.08610	19.1
85.02895	17.6
85.06541	2.3
91.05473	70.6
93.07034	55.6
95.04964	38.9
95.08598	29.7
97.02872	17.4
97.06532	7.4
97.10150	6.0
99.04468	5.6
99.08107	1.5
103.05473	2.2
105.04537	1.2
105.07021	51.7
107.04957	13.7
107.08586	21.3
109.02873	16.8
109.06508	10.2
109.10133	6.1
111.04441	14.7
111.08074	8.7
115.05454	4.3
117.07025	14.1
119.04943	1.6
119.08575	35.2
121.06507	6.8
121.10123	11.0
123.04421	3.3
123.08099	5.9
123.11725	2.8
125.09628	4.4
127.03901	13.6
127.07520	1.4
128.06235	4.3
129.05496	2.5
129.06989	27.2
131.04939	2.3
131.08559	16.8
133.06454	7.5
133.10127	15.9
135.08078	2.7
135.11708	4.8
141.00986	1.1
141.06998	3.8
142.07784	1.5
143.08528	11.9
145.06503	5.0
145.10117	12.1
147.08073	5.3
147.11673	34.8
149.09633	4.1
153.12747	3.3
155.08556	2.9
156.09326	1.6
157.06499	2.0
157.10107	9.7
159.08072	2.3
159.11690	2.6
161.06032	1.7
161.09618	5.0
161.13229	8.0
163.11205	4.4
165.12808	2.9
165.85660	1.1
167.08566	3.6
169.10164	2.4
170.31906	1.3
171.08078	2.6
171.11664	21.6
173.04539	2.8
173.05965	1.3
173.09671	2.6
173.13223	2.6
175.11168	10.1
177.12769	1.8
179.14272	1.3
181.10172	1.8
181.12308	4.4
183.11748	2.1
185.09656	1.3
189.11211	2.2
189.12764	9.2
191.10745	4.2
193.12233	29.9
195.11798	1.5
199.11191	1.6
200.56963	1.2
201.12860	1.4
207.13785	23.0
209.13260	1.6
211.13258	39.3
211.15228	2.1
225.14883	3.2
227.12679	6.5
229.14398	1.9
235.13380	1.5
241.15919	1.8
253.08157	1.1
259.16916	1.4
264.05328	1.3
267.15866	9.9
267.18323	1.3
269.15454	2.5
273.15033	1.5
279.15988	2.3
281.17438	15.8
283.15567	1.6
285.16989	4.0
287.16525	5.0
309.17340	1.5
333.17194	1.3
337.16556	4.0
351.18002	2.5
355.17465	8.2
363.23111	1.3
407.20572	2.2
411.20126	6.4
455.27716	1.2
473.28900	13.6
485.29398	1.6
491.30069	13.7
553.31567	1.9
571.33044	2.3
581.31091	1.5
617.33014	7.3
635.34174	76.5
636.35181	1.3
657.26715	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2859
Annotation	Orthosiphol K
Peak:m/z	Relative Intensity
56.95268	2.4
62.40346	2.5
70.20026	11.0
80.42229	2.3
104.15308	2.6
119.92632	2.5
141.91623	2.5
144.65413	3.0
249.81085	3.0
403.19498	3.4
429.72647	3.0
431.18741	8.3
445.20212	3.6
460.22702	5.6
461.23450	8.0
488.22592	5.4
489.22839	7.2
547.26813	6.1
575.26453	23.0
635.28674	100.0
635.40735	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	635.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.7
53.03936	14.9
55.01867	11.0
55.05509	26.6
57.03436	11.2
57.07063	1.7
61.02903	1.9
65.03934	5.2
67.05502	58.0
69.03426	21.9
69.03769	2.5
69.07066	14.3
69.93640	7.5
71.01320	2.0
71.04999	7.6
73.02904	2.3
73.06551	1.5
77.03914	2.0
79.05489	78.4
81.03413	100.0
81.06572	3.0
81.07052	58.8
83.04980	26.7
83.08616	21.1
85.02906	19.0
85.06535	4.5
91.05475	76.0
93.07034	58.8
95.01321	1.7
95.04961	41.2
95.08605	27.7
97.02884	22.2
97.06516	8.3
97.10166	9.2
99.04454	5.7
103.05447	2.9
105.04541	1.4
105.07027	51.2
107.04945	15.7
107.08591	23.8
109.02879	20.2
109.06528	11.5
109.10121	8.6
111.04441	14.6
111.08075	8.2
115.05448	4.3
117.07003	13.8
119.08575	33.8
121.06521	8.0
121.10129	8.9
123.04432	4.6
123.08061	6.0
123.11691	2.6
125.09642	2.1
127.03896	10.8
127.07539	2.4
128.06239	3.2
129.06993	26.9
130.07820	2.3
131.04939	2.4
131.08574	17.6
133.06511	7.4
133.10129	16.6
135.08061	2.5
135.11717	5.1
137.09595	2.7
141.06982	3.2
142.07773	2.9
143.08560	10.0
145.06502	5.1
145.10098	12.1
147.04395	1.9
147.08031	7.6
147.11679	40.6
147.12776	2.6
149.06012	2.6
149.09630	4.5
153.12720	2.7
155.08580	3.8
157.06462	2.9
157.10138	11.6
159.11656	2.6
161.05951	1.8
161.09648	5.5
161.13246	9.2
163.11131	8.3
165.12836	3.6
169.10124	2.1
171.08119	2.0
171.11674	24.7
173.04469	7.3
173.09628	3.3
175.11172	10.6
176.35588	1.4
177.12729	1.4
181.10130	3.3
181.12279	6.3
183.08025	2.1
185.09587	1.6
185.13228	2.2
187.11203	1.8
189.11234	3.0
189.12767	10.8
191.10693	5.0
193.12238	30.2
193.14040	1.6
195.08008	1.7
207.13779	26.6
211.13272	43.6
211.15186	3.0
219.17416	1.6
225.14899	3.6
227.12761	9.2
235.13322	1.9
249.14824	2.9
267.15872	14.1
269.15384	2.1
273.14886	2.8
281.17426	18.4
285.17029	3.2
287.16586	4.1
301.14377	3.3
319.15497	3.9
337.16458	5.4
345.19730	1.4
351.17764	2.2
355.17584	11.1
389.19565	1.7
399.25061	1.5
411.20032	8.6
431.26129	1.5
455.27887	1.7
473.28943	19.0
491.30231	13.5
497.29822	1.7
515.30511	2.4
553.14441	1.8
553.31311	1.6
599.31897	2.4
617.33160	9.5
635.34241	76.2
636.34454	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	633.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01858	6.2
55.05513	19.5
56.86108	1.7
57.03426	6.2
57.07073	4.3
59.05002	4.0
65.03934	4.5
67.05502	100.0
69.03428	36.9
69.07063	14.2
71.04980	6.5
71.08654	2.0
79.05489	26.7
81.03422	24.8
81.07056	47.3
83.04974	9.0
83.08630	11.2
85.02871	2.7
85.06518	3.7
86.89438	1.7
91.05481	30.4
93.07041	33.3
95.04962	14.1
95.08604	31.0
95.26785	1.9
97.02904	5.4
97.06517	3.9
97.10158	5.9
99.04477	3.7
102.04594	2.1
105.07038	26.8
107.04935	2.6
107.08582	23.1
109.02866	6.4
109.06492	6.6
109.10154	61.0
111.04436	6.0
111.08090	4.4
115.05438	2.3
115.71500	2.0
117.07013	15.3
119.08569	26.8
121.06480	4.3
121.10141	15.3
123.08050	4.6
123.11715	3.6
125.05997	2.2
125.09644	5.5
126.40821	1.8
127.03886	4.6
129.06981	8.4
131.08559	17.5
133.06522	4.3
133.10121	13.4
135.08058	3.3
135.11679	10.0
137.09634	5.3
141.07005	2.0
143.08560	7.1
145.06451	4.1
145.10129	14.1
147.08049	4.6
147.11687	9.9
149.09618	4.9
149.13206	4.5
155.08478	4.1
155.10641	4.1
157.10120	6.9
159.08031	3.5
159.11711	10.8
161.09679	3.0
161.13182	4.0
161.28790	1.9
163.07539	2.9
165.12726	2.2
169.10031	3.6
171.11703	8.2
173.11716	19.8
173.13261	8.2
174.59973	1.9
175.11234	2.9
175.14894	2.3
181.10123	3.0
183.11665	2.5
185.13216	4.8
187.11258	3.5
187.14851	3.2
189.11237	2.8
189.12842	3.0
195.11635	2.1
197.13278	2.4
199.11201	2.5
205.12238	2.1
225.16376	2.2
227.12650	2.1
229.14268	23.5
259.20508	4.4
259.57889	2.0
261.22083	2.3
273.21964	2.5
277.18109	2.0
277.21515	4.3
297.22128	3.2
301.21686	7.3
319.22775	3.2
323.01431	2.6
327.23071	2.8
341.24698	3.6
351.23050	6.6
353.24762	3.1
357.24207	2.5
369.24152	15.6
375.25110	3.1
387.25443	6.4
393.26004	2.5
443.27750	5.7
461.28790	6.7
543.14648	2.3
597.37939	6.1
615.38684	11.3
633.39874	48.2
650.60846	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	633.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01864	4.2
55.05505	20.7
57.03429	6.0
57.07081	2.9
59.04970	2.6
65.03919	3.5
67.05503	100.0
69.03426	34.5
69.07063	12.2
70.66273	6.7
71.04990	5.7
77.03946	1.9
79.05491	35.3
81.03416	19.7
81.07055	50.0
81.12872	2.0
83.04968	8.2
83.08620	11.8
85.02887	3.3
85.06561	4.0
87.04489	2.3
89.73087	1.8
91.05480	35.8
93.07038	34.2
95.04954	13.7
95.08608	33.3
97.02891	7.7
97.06498	4.2
97.10162	7.6
99.04451	4.3
99.08075	4.5
103.05463	3.0
105.07035	30.4
107.04948	6.1
107.08575	22.3
109.02890	2.8
109.06541	9.0
109.10155	61.0
111.04447	7.0
111.08086	2.3
115.05405	3.4
117.07014	12.8
119.08567	24.6
121.06503	4.7
121.10134	13.3
123.08064	4.0
123.11724	3.7
125.09617	5.8
127.03947	2.3
128.06241	2.4
129.06984	10.2
131.08557	21.7
133.06494	4.9
133.10118	16.4
135.08055	6.5
135.11702	9.7
137.09633	6.0
143.08556	6.9
145.06471	4.8
145.10129	17.5
145.86525	2.1
147.08017	3.0
147.11722	9.8
147.98479	1.9
149.09647	3.9
149.13275	4.8
153.83585	1.9
155.08557	7.6
157.10129	9.8
159.08052	3.1
159.11687	14.1
161.09633	2.7
161.13249	7.0
169.10149	6.2
171.08070	2.8
171.11668	7.1
173.09601	3.4
173.11734	18.9
173.13290	8.1
175.11160	3.5
175.14835	4.3
183.11688	5.1
185.09598	4.5
185.13271	5.7
187.11186	2.9
187.14885	3.6
189.11200	4.8
189.12764	4.0
189.57773	2.0
197.13303	3.5
199.14804	4.6
201.16420	2.4
213.16342	2.2
227.12576	2.4
229.14337	23.4
245.13832	3.4
259.20593	2.9
273.22247	3.8
277.21713	5.5
281.13565	2.0
283.20718	2.7
289.21429	2.4
299.14874	2.7
301.21591	6.6
317.24652	3.1
323.23694	2.8
327.23239	3.0
341.24487	2.7
351.23145	5.2
355.17111	2.3
369.24414	10.4
387.25287	5.5
425.27106	2.3
443.28006	4.1
461.28922	6.3
489.35666	2.8
559.35992	2.4
597.37988	11.8
615.39038	12.8
633.40057	47.5
634.39691	3.2
654.97101	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	633.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.8
55.01875	3.0
55.05505	19.7
57.03423	7.0
57.07076	2.1
59.04984	4.3
62.13069	1.7
65.03925	5.2
67.05500	100.0
68.08589	1.5
69.03423	40.1
69.07066	15.8
70.07559	9.0
71.01366	1.8
71.04975	5.3
71.75709	1.9
77.81729	1.6
77.91417	1.6
79.05484	35.9
81.03411	27.3
81.07050	45.2
83.04987	8.7
83.08621	11.1
83.60151	1.5
85.02920	5.9
85.06537	4.3
91.05478	35.6
93.07041	35.2
95.04958	10.3
95.08595	30.6
97.02879	4.5
97.06516	2.9
97.10168	6.2
98.21406	2.4
99.04484	4.4
103.05450	2.1
105.07025	29.9
107.04971	4.7
107.08578	21.1
109.02880	3.9
109.06523	4.8
109.10147	53.6
111.04433	6.5
111.08077	4.9
115.05468	2.1
115.68665	1.6
117.07021	12.9
119.08570	26.8
121.06497	3.6
121.10120	12.8
123.04478	1.9
123.08038	4.6
123.11726	2.1
125.09625	5.6
127.03916	4.4
128.06216	2.6
129.06995	8.3
131.04898	2.2
131.08551	18.6
133.06465	5.1
133.10124	13.4
135.08051	4.6
135.11687	9.4
137.09593	7.6
141.07057	3.7
142.07706	2.1
143.08536	10.0
145.06461	2.6
145.10085	11.4
147.08028	3.6
147.11641	11.2
149.09615	3.8
149.13243	4.3
151.07565	1.9
151.11134	2.2
153.09164	1.9
155.08577	5.4
155.10703	2.9
157.10143	8.5
159.08090	2.4
159.11659	11.5
161.09662	2.6
161.13251	3.5
163.11281	2.2
169.10144	4.5
171.11671	4.0
173.11754	12.7
173.13281	6.6
175.11177	3.7
177.12830	2.2
181.10135	2.4
183.11760	4.6
185.09674	3.2
185.13275	3.6
187.14854	4.0
189.11241	5.5
189.12807	2.6
197.13315	1.9
199.14842	2.1
209.13322	2.1
227.12646	1.8
229.14278	18.8
241.19328	1.8
259.20532	3.1
277.21420	3.5
289.21570	3.9
291.23431	1.6
298.18991	1.7
299.14999	3.2
301.21695	8.6
303.23071	2.4
319.22830	3.6
327.23285	2.8
341.24841	2.8
345.24368	2.0
351.23102	5.7
355.17709	3.8
369.24286	15.8
375.58139	1.9
387.25388	6.1
403.53647	1.7
425.26923	2.0
443.28131	4.4
460.96884	1.9
461.29089	4.8
467.60501	1.9
597.37946	6.5
603.39722	1.8
615.39038	6.4
633.39905	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	633.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.3
59.97766	0.2
67.05510	0.5
70.06582	0.3
71.05033	0.2
71.17883	0.5
72.08154	0.2
79.05492	0.4
81.03400	0.3
81.07034	0.3
85.02918	0.4
91.05488	0.3
91.50735	0.2
97.06525	0.5
133.03452	0.4
137.05963	0.3
147.04396	1.2
153.01772	0.5
157.07658	0.4
160.11920	0.2
167.07065	0.2
173.02956	0.3
185.04170	0.5
185.13443	0.3
203.05281	1.3
207.40837	0.3
247.87059	0.2
249.07684	0.6
253.12933	0.5
258.48074	0.2
259.07834	1.7
271.14111	0.3
272.21899	0.3
309.16617	1.7
347.09482	0.7
365.10620	2.2
421.13110	1.0
447.01910	0.2
471.22009	22.9
481.84558	0.2
509.58102	0.3
622.45813	0.2
633.27228	100.0
634.27478	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	633.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84668	1.1
53.03932	2.8
55.01854	1.9
55.05506	9.3
57.03428	2.5
59.04984	2.1
60.00182	1.1
67.05501	39.0
68.05844	1.2
69.03438	13.3
69.07059	6.2
71.04984	2.9
78.58044	1.2
79.05486	15.6
81.03426	7.5
81.07045	22.0
83.04961	3.6
83.08603	4.8
85.02923	1.8
85.06530	1.4
91.05464	14.6
93.07026	15.9
95.04950	6.3
95.08614	12.7
97.02868	2.3
97.10175	2.7
99.04447	1.4
102.22253	1.2
105.07009	12.4
107.08594	9.2
109.02898	2.0
109.06512	2.1
109.10148	24.9
111.04449	2.7
111.08091	1.8
117.07037	6.3
119.08568	10.9
121.06548	1.9
121.10145	5.6
123.08076	1.7
123.11674	1.2
125.09621	2.8
127.03913	1.6
129.06998	5.0
131.08533	6.9
133.06451	1.4
133.10115	8.1
134.73668	1.2
135.08086	1.8
135.11720	3.0
137.09613	3.4
142.07777	2.0
143.08568	2.7
145.10126	5.2
147.11655	2.8
149.09583	2.4
149.13214	1.7
155.08560	2.4
157.10110	4.3
159.11664	4.2
161.09593	2.0
161.13290	3.1
163.14743	1.2
169.10191	2.4
171.11658	3.2
173.09651	1.3
173.11757	6.5
173.13184	2.1
183.11638	2.5
185.13225	2.3
189.11209	2.2
197.13245	2.3
199.11307	1.3
202.15900	2.8
229.14371	6.4
259.20544	2.2
267.15829	1.6
277.21579	1.7
300.13657	4.4
301.21530	2.2
319.22763	1.5
327.23337	1.5
333.20416	5.1
351.23273	2.3
369.24438	3.5
375.25165	1.5
375.56964	1.2
387.25531	1.5
389.22980	4.8
425.26813	1.4
461.28436	1.9
489.35663	1.5
567.22699	1.3
597.37897	3.6
615.38812	4.2
633.39722	100.0
634.40283	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	633.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16875	0.6
52.71294	0.6
70.01167	3.4
71.04937	2.3
73.55901	0.7
81.03386	0.7
85.02855	2.7
115.75218	0.7
137.05904	0.7
147.04388	0.8
153.01750	2.2
155.34485	0.6
163.14706	0.7
163.74391	0.6
169.04652	2.6
196.30692	0.7
197.08110	0.7
224.03391	0.6
283.00482	0.7
286.17691	0.6
324.02383	1.4
325.02975	1.8
361.04086	3.0
379.05014	1.2
439.04892	0.9
453.46872	0.6
471.03189	0.6
471.08466	3.2
487.08435	100.0
488.08652	1.0
567.70239	0.7
633.14240	63.4
634.14844	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01854	1.8
55.05515	5.7
57.03415	0.8
57.07059	0.7
65.03934	1.2
67.05505	24.3
69.03422	0.9
69.07065	7.3
70.06584	1.8
71.04975	1.7
71.60515	1.0
72.08154	42.0
79.05492	18.7
81.03410	1.9
81.07055	28.7
83.04961	2.5
83.08618	5.3
85.02890	0.7
85.06516	1.7
91.05481	16.0
93.07040	23.1
95.04967	4.4
95.08607	12.4
97.06509	3.9
97.10177	0.6
99.08070	1.2
105.04504	0.7
105.07035	9.1
107.04944	2.1
107.08592	11.7
109.06497	1.7
109.10146	3.5
111.08072	1.9
117.07015	6.0
119.08571	5.3
121.06493	2.0
121.10144	5.9
123.04451	0.7
123.08086	1.2
123.11708	1.7
129.06979	2.6
131.08551	7.8
133.10120	8.9
135.08031	1.7
135.11690	4.4
141.06993	0.8
143.08568	2.6
145.10129	3.4
147.11725	2.7
149.09641	0.7
149.13249	5.1
151.11185	0.8
155.08534	1.2
157.10110	1.4
159.11687	4.7
161.13260	0.8
163.11217	0.7
167.08530	0.8
169.10115	1.2
170.05763	14.5
171.11687	1.1
173.13268	0.8
177.12772	1.7
183.11702	0.8
185.13277	0.7
187.14885	0.8
195.13785	5.4
213.14789	0.7
233.15340	0.9
251.16457	2.3
261.18002	0.6
269.17441	0.9
288.79214	0.7
291.94415	0.6
329.21240	0.5
333.13367	0.6
334.13544	0.7
353.24805	2.1
371.25809	1.9
389.26846	1.8
391.26202	0.6
445.29480	5.0
463.30533	100.0
464.30814	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	631.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21408	1.6
53.03942	10.0
55.01868	8.4
55.05511	26.7
57.03427	6.0
61.57055	1.5
65.03943	8.5
67.05501	66.7
69.03426	16.1
69.07060	13.4
70.18194	6.9
71.01337	2.1
71.04987	6.5
77.03941	1.7
79.05490	100.0
79.66372	1.8
81.03412	48.3
81.07054	61.2
83.04980	17.7
83.08604	9.6
85.02893	14.2
85.06527	4.1
87.02287	1.6
91.05477	95.8
93.07037	71.9
95.01370	2.3
95.04964	37.7
95.08601	37.7
97.02879	13.0
97.06549	8.3
97.10147	3.9
98.20831	1.8
99.04449	6.4
103.05452	6.1
105.04511	3.5
105.07024	63.0
107.04962	19.0
107.08594	20.7
109.02868	7.1
109.06506	9.0
109.10155	6.3
110.20928	1.5
110.56554	1.5
111.04433	5.2
111.08067	3.4
115.05437	8.7
117.07008	29.1
119.04910	3.2
119.08581	39.1
121.06507	11.4
121.10130	8.2
123.04391	4.2
123.08081	6.8
125.05959	2.3
127.03944	4.0
128.06198	10.7
129.06999	36.9
131.03392	1.9
131.04926	4.1
131.08572	22.2
133.06474	11.3
133.10124	15.3
135.08047	3.6
135.11676	4.9
137.05995	2.1
137.84625	2.0
141.06982	7.7
142.07724	2.0
143.08563	24.5
145.06467	14.7
145.10110	15.7
147.08017	8.8
147.11687	31.3
149.05998	4.4
149.09608	2.1
153.06909	2.8
155.08554	8.4
156.09358	2.6
157.06432	5.2
157.10106	6.4
159.08040	6.9
159.11708	7.0
161.05984	4.1
161.09583	5.8
161.13219	15.8
163.11212	4.3
167.08540	5.7
168.09212	2.1
169.10110	7.4
171.08055	6.8
171.11700	35.5
173.04509	4.3
173.09680	2.6
173.13283	4.6
175.07567	3.1
177.12663	2.2
179.14322	3.2
181.10083	4.2
183.08012	2.2
183.11710	3.9
185.09674	4.8
185.13277	4.9
187.07559	2.4
187.11168	3.2
189.12706	18.9
193.10107	1.9
195.08151	1.9
195.11662	2.9
197.09517	2.1
197.13214	1.7
199.07555	2.2
201.12637	1.9
207.11829	3.1
207.13789	31.4
209.13229	2.5
221.15540	1.7
223.14737	4.1
225.14847	3.9
227.14279	3.0
231.13799	1.9
241.15898	3.5
243.13782	2.7
245.15530	2.0
249.14909	2.7
251.14330	2.9
257.15515	2.8
259.16904	4.8
261.14774	3.3
263.16394	4.2
269.15387	12.6
273.14911	1.8
279.16064	5.2
281.17484	28.5
287.16373	13.0
297.14664	3.5
305.17459	3.8
309.16907	4.8
315.15833	10.0
317.17490	2.9
333.16919	5.9
343.19153	2.4
351.17905	4.8
361.20068	4.1
389.19470	3.6
407.20688	10.6
487.30533	6.6
541.30737	2.3
567.32764	7.2
583.33716	2.0
595.32355	3.6
613.33167	9.0
631.34711	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2238
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
67.05525	1.1
68.31522	0.5
68.94970	0.5
69.43208	4.3
71.06677	0.4
79.05537	0.9
81.07084	1.0
91.05513	0.9
93.07119	0.8
94.43698	0.6
94.92337	0.5
95.08648	0.5
98.31422	0.5
105.07140	0.6
107.08653	1.0
109.06574	0.5
116.75137	0.4
119.08591	0.6
122.40097	0.4
143.08589	0.6
315.35721	0.5
383.11438	0.5
396.12354	1.9
397.12842	2.5
398.14111	0.9
399.14697	1.4
400.15378	0.6
409.13223	1.6
410.13754	4.0
411.14453	7.1
412.15237	5.8
413.16162	4.7
414.16873	0.9
423.14609	1.5
424.10849	1.3
424.16245	2.5
425.16318	17.4
426.12134	0.8
426.17014	10.1
427.18100	4.4
428.18546	3.7
437.16348	1.1
438.13171	3.1
438.17969	1.1
439.13641	24.4
440.13559	1.4
440.19131	7.7
441.19260	41.9
442.19745	3.9
443.17279	0.7
451.14056	0.8
452.14465	4.8
453.15393	28.3
454.15891	6.9
455.16553	1.1
456.18381	1.4
457.14545	1.2
459.20276	1.2
463.14120	1.1
464.14603	0.6
465.15451	0.5
466.16290	0.6
467.17188	28.6
468.17856	25.0
469.18799	12.2
470.19830	1.1
471.16565	2.5
472.17346	1.4
480.17319	0.9
481.14624	10.9
482.15701	3.0
483.16376	0.8
484.21884	3.4
485.17654	2.7
486.18918	1.1
487.19507	0.6
490.17941	0.7
494.18311	0.6
495.16827	2.7
495.21066	1.4
496.17114	18.1
497.17407	2.8
498.18713	2.1
499.19617	1.8
500.20758	5.4
509.18097	1.5
510.19370	0.7
512.21423	3.0
513.21838	6.0
514.22778	0.7
522.18304	0.7
523.19788	0.9
526.18878	0.7
528.19586	1.1
531.22473	1.0
535.19525	0.6
537.18030	0.6
538.18573	0.7
541.20844	50.3
542.21326	2.9
553.20929	1.1
559.21552	1.0
569.20276	100.0
570.20776	8.0
573.23627	3.0
587.20868	0.7
597.19617	27.4
598.20557	2.2
600.22034	1.7
601.22955	14.2
602.22797	0.8
615.20612	2.0
629.22198	83.0
630.22424	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	628.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01866	1.4
55.05506	4.7
56.05026	1.0
57.03432	1.0
59.03353	0.5
65.03953	1.2
67.05166	0.8
67.05502	10.7
69.03443	1.6
69.07063	2.0
70.06594	2.3
70.09411	2.7
71.04981	1.3
72.08152	69.7
72.12305	0.5
73.02902	0.7
79.05489	11.7
81.03416	82.2
81.07055	9.3
83.04992	2.6
83.08612	12.1
85.02888	0.7
90.09202	0.7
90.95805	0.5
91.05473	15.4
93.07036	5.5
95.04356	1.1
95.04964	22.6
95.08599	3.2
97.02885	2.5
97.06532	1.3
97.10166	1.0
103.05490	0.6
105.07018	11.1
107.04950	5.9
107.08599	2.9
109.06528	2.4
109.10152	1.0
111.04471	1.2
111.08082	3.7
115.05466	1.3
117.07001	1.1
119.04944	0.9
119.08578	9.2
121.06512	2.2
121.10149	4.3
123.04408	0.6
123.08088	1.1
128.06184	0.5
129.07004	8.9
131.08559	6.8
133.06511	2.9
133.10120	3.3
137.05972	0.6
137.09621	1.0
138.06296	0.6
142.07787	2.8
145.10127	1.1
147.04440	1.1
147.08083	2.6
147.11693	5.4
149.09586	3.4
157.10104	7.7
165.12726	0.8
167.07117	1.0
170.05768	32.7
175.11198	6.4
181.04974	0.7
193.12238	16.0
231.13889	0.6
249.14830	5.7
267.08923	0.7
267.16003	1.4
306.98367	0.6
326.86316	0.6
365.15530	0.6
385.23712	0.6
415.75909	0.6
418.20218	0.6
459.27390	100.0
460.27832	1.8
467.03696	0.6
468.40378	0.6
566.79071	0.6
628.43939	2.6
641.88068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	2.1
55.01872	3.9
55.05514	17.3
57.03427	6.6
57.07074	2.8
65.03910	2.4
67.05501	67.6
68.05833	3.2
69.03421	4.7
69.07063	18.8
71.04986	35.1
72.37993	1.9
79.05058	3.0
79.05492	45.7
81.03419	4.1
81.07050	100.0
83.04969	7.5
83.08623	7.4
85.06531	7.4
91.05472	44.8
93.07032	47.9
94.07375	3.3
95.04973	10.0
95.08599	27.5
97.06538	10.8
97.10178	3.1
99.08038	2.8
105.07017	31.5
107.04928	3.7
107.08575	23.8
109.06511	7.4
109.10168	13.8
111.08065	3.1
117.07012	11.6
119.08576	16.4
121.06490	3.1
121.10119	10.9
123.08060	4.7
123.11694	15.9
129.05583	2.2
129.07056	2.4
131.08546	14.6
133.10121	30.4
135.11627	12.5
137.09590	2.5
143.08556	3.2
145.06496	2.2
145.10146	8.1
147.11728	8.9
149.09651	4.7
149.13248	9.3
151.11197	7.4
157.10106	3.1
159.11662	10.2
161.13339	3.3
163.11166	4.9
171.11673	2.4
176.93347	2.3
177.12682	4.7
183.13744	5.1
187.13321	3.4
195.13780	6.5
201.14717	2.6
222.90042	2.4
227.12743	2.6
243.15923	3.0
257.19086	2.6
269.17548	10.7
275.19962	15.4
301.19995	17.9
309.52423	2.0
315.83197	2.1
331.22665	2.3
349.23492	10.4
419.28104	3.6
423.27301	9.2
437.28961	18.1
447.45786	2.1
449.28970	13.7
451.30408	14.3
463.24710	2.3
463.30664	8.6
481.01633	2.2
481.31744	5.7
488.02158	3.2
495.33084	44.6
499.34311	2.9
517.34955	23.9
530.38763	2.5
531.36725	3.0
543.36047	3.8
575.39429	4.7
628.45483	6.3
629.34882	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	628.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75660	0.6
52.29824	0.6
55.01851	0.9
55.05504	3.9
55.27169	0.6
56.52045	0.7
57.03434	5.2
57.07067	1.0
61.02921	5.1
65.03919	0.8
67.05170	1.1
67.05505	17.0
69.03403	1.5
69.07067	6.6
71.04984	2.3
71.60232	0.9
71.60616	1.1
73.02893	2.4
79.05494	9.2
81.03403	1.7
81.07053	26.0
83.04961	1.6
83.08621	5.2
85.02895	6.6
85.06525	1.8
86.09692	2.1
91.03950	5.3
91.05489	4.5
93.07038	18.8
95.04948	1.9
95.08598	6.3
97.02869	2.2
97.06536	3.7
99.04445	1.1
99.08068	2.1
105.07002	2.8
107.04936	0.8
107.08589	9.9
107.36240	0.6
109.06544	0.8
109.10152	1.2
111.08083	3.6
117.06992	3.6
119.08577	1.2
120.08106	2.8
121.06494	0.7
121.10132	7.0
121.77802	0.6
127.03905	1.4
131.08563	2.9
133.10120	2.4
135.11682	3.2
137.05960	0.9
145.04935	2.0
147.04401	1.4
149.13257	16.6
153.01797	0.8
153.38396	0.6
159.11696	7.8
163.05989	1.5
167.07043	1.0
167.14355	0.8
177.12752	5.6
195.13795	5.2
198.50900	0.7
216.20699	0.7
251.16447	0.8
269.17468	100.0
283.09747	0.8
303.04855	1.4
304.05576	1.2
431.22754	3.0
479.81277	0.9
522.61188	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.05500	2.9
56.96550	0.8
57.03434	3.0
58.42278	0.7
58.69867	0.8
61.02909	3.8
65.04454	0.8
67.05502	16.3
69.03426	1.3
69.07067	3.7
71.04987	2.0
71.59988	1.0
72.07793	1.1
72.08153	11.3
73.02921	1.9
79.05495	6.6
81.03416	13.0
81.05747	0.9
81.07056	16.3
83.04986	1.8
83.08628	5.2
85.02897	6.8
85.06530	1.2
91.03962	5.3
91.05487	6.2
93.07047	13.2
95.04975	4.8
95.08623	4.6
97.02874	3.2
97.06520	2.7
99.08086	1.2
105.07027	3.8
107.04937	1.7
107.08598	7.2
109.06521	1.6
109.10152	0.9
111.08072	3.5
117.07021	2.0
119.08597	1.6
121.10133	6.0
123.04420	1.1
127.03904	1.3
131.08611	2.1
133.10155	2.1
135.11679	2.1
137.06023	1.6
145.04967	1.8
147.04431	3.0
147.08047	1.1
147.11688	1.1
149.13246	11.8
151.03836	1.2
155.21487	0.8
157.10170	1.3
159.07991	1.0
159.11687	5.2
163.03864	1.0
163.06026	2.3
167.07047	3.2
170.05786	4.5
177.12750	2.8
181.04897	0.9
193.12303	2.4
195.13794	4.9
219.10141	1.0
257.04327	1.0
269.17471	100.0
270.18140	1.3
285.07669	1.2
287.18478	1.1
299.63519	0.9
303.05124	1.0
335.91510	1.0
359.15051	1.1
459.27377	13.8
466.12320	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	627.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.7
55.01866	22.9
55.05508	51.4
57.03440	11.6
57.07073	5.2
65.03976	4.2
67.05504	96.8
69.03450	1.9
69.07063	38.4
69.67903	1.8
71.05006	5.9
71.51584	3.1
77.03919	2.8
78.86217	1.7
79.05492	85.3
79.05958	4.2
81.03442	6.4
81.07055	100.0
83.04980	9.7
83.08619	27.3
85.06560	5.5
91.05478	63.3
93.07044	86.7
95.01350	2.1
95.04966	29.8
95.08602	62.6
97.06526	29.0
97.10160	17.5
99.04460	4.0
99.08102	4.0
103.05469	2.4
105.04557	3.2
105.07027	59.4
107.04948	16.4
107.08591	64.7
109.06560	8.3
109.10155	30.6
111.04492	4.0
111.08099	8.9
115.05441	3.8
116.06279	1.9
117.07025	26.9
119.08580	43.2
121.06538	3.9
121.10124	40.0
123.08109	6.8
123.11721	12.3
125.09631	15.1
128.06274	2.8
129.06993	11.8
131.08566	34.9
133.10135	36.5
135.08098	4.4
135.11693	20.3
137.09692	3.0
137.13278	2.2
141.06989	4.0
142.07642	2.2
143.08565	9.4
145.10114	32.0
147.08147	3.0
147.11688	28.6
149.09612	30.2
149.13232	9.8
151.11237	4.0
153.09126	2.5
155.08623	7.9
157.10141	11.5
159.11684	21.7
159.12875	2.4
161.09627	4.1
161.13283	15.3
163.11168	17.7
163.14867	3.4
165.09122	2.1
165.12686	2.8
167.08702	2.7
169.10193	7.7
171.10403	3.0
171.11656	10.9
173.13249	16.0
175.11252	3.0
175.14900	4.9
177.12830	4.3
179.14409	3.4
181.10181	3.6
183.11711	9.2
185.13234	9.6
187.11224	3.7
187.13364	3.0
187.14885	7.6
189.09528	1.7
189.11224	8.9
189.16328	2.2
191.14311	3.1
195.11890	2.2
197.13330	6.7
199.14995	5.7
201.16440	3.9
205.12288	3.5
207.11745	2.4
209.13269	2.7
211.14937	5.0
213.16602	2.6
215.17993	2.4
223.13231	13.0
227.12779	9.2
229.19713	3.2
237.16563	2.7
239.17960	4.6
241.19687	3.0
243.21173	3.9
245.19104	2.0
246.10214	2.0
247.20766	2.6
257.19031	12.5
259.20667	4.7
261.22345	5.6
275.20056	71.5
293.21133	18.1
317.24814	3.3
331.22916	2.3
333.24240	5.3
335.25827	40.5
349.23682	27.6
351.25842	2.2
367.30032	3.9
378.99280	2.1
383.33353	2.0
385.31287	2.1
390.67816	1.9
441.33655	2.7
479.84100	2.1
500.52530	2.3
515.37140	9.3
517.40411	5.7
529.38757	6.5
535.41370	6.0
543.73468	2.0
553.42731	3.5
591.43604	2.0
609.45178	56.4
627.46222	77.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.5
61.02920	1.9
62.80783	1.1
63.10410	1.0
64.89965	1.2
66.67885	1.0
67.05495	2.1
71.04990	30.4
71.60627	1.9
75.04498	1.6
79.05482	3.1
81.03421	3.2
81.07040	2.2
83.04977	1.4
85.02426	1.8
85.02908	30.5
86.09660	1.6
86.23996	1.1
91.05464	3.6
93.07031	2.2
94.34331	1.1
94.73898	1.1
95.04942	2.4
102.04666	3.1
103.05465	1.4
105.07013	2.4
107.04956	1.8
119.04918	3.3
121.02779	1.4
121.06527	1.4
123.04402	1.7
129.05479	5.6
130.04143	4.7
130.50430	1.2
131.04910	7.0
132.05708	1.1
133.02858	1.6
133.06543	1.7
133.10121	1.3
135.04454	1.4
137.05968	7.5
147.04405	7.5
148.05212	2.6
149.05956	1.9
151.07521	2.0
152.50050	1.3
153.01816	10.0
161.02872	1.1
161.05968	2.2
162.06758	8.6
167.07054	10.4
177.05443	3.3
181.04962	2.2
201.05576	1.5
209.08070	2.0
217.04996	4.5
219.20738	1.3
221.05890	1.4
229.04997	3.2
237.05431	1.5
238.06284	2.0
245.04463	6.4
249.05193	1.3
257.04459	1.6
273.03958	9.5
277.04984	1.4
277.96173	1.4
285.03897	3.9
286.78021	1.3
287.05453	1.4
301.03391	7.1
302.04211	2.4
303.05029	2.4
313.03308	2.6
327.04926	3.8
339.05005	5.7
357.06543	2.3
403.08475	1.4
417.15457	3.4
431.07523	7.6
451.10199	2.2
463.10037	2.8
481.11273	100.0
482.11465	2.8
535.60510	1.2
603.73468	1.3
627.29785	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	627.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	5.5
61.02920	1.9
62.80783	1.1
63.10410	1.0
64.89965	1.2
66.67885	1.0
67.05495	2.1
71.04990	30.4
71.60627	1.9
75.04498	1.6
79.05482	3.1
81.03421	3.2
81.07040	2.2
83.04977	1.4
85.02426	1.8
85.02908	30.5
86.09660	1.6
86.23996	1.1
91.05464	3.6
93.07031	2.2
94.34331	1.1
94.73898	1.1
95.04942	2.4
102.04666	3.1
103.05465	1.4
105.07013	2.4
107.04956	1.8
119.04918	3.3
121.02779	1.4
121.06527	1.4
123.04402	1.7
129.05479	5.6
130.04143	4.7
130.50430	1.2
131.04910	7.0
132.05708	1.1
133.02858	1.6
133.06543	1.7
133.10121	1.3
135.04454	1.4
137.05968	7.5
147.04405	7.5
148.05212	2.6
149.05956	1.9
151.07521	2.0
152.50050	1.3
153.01816	10.0
161.02872	1.1
161.05968	2.2
162.06758	8.6
167.07054	10.4
177.05443	3.3
181.04962	2.2
201.05576	1.5
209.08070	2.0
217.04996	4.5
219.20738	1.3
221.05890	1.4
229.04997	3.2
237.05431	1.5
238.06284	2.0
245.04463	6.4
249.05193	1.3
257.04459	1.6
273.03958	9.5
277.04984	1.4
277.96173	1.4
285.03897	3.9
286.78021	1.3
287.05453	1.4
301.03391	7.1
302.04211	2.4
303.05029	2.4
313.03308	2.6
327.04926	3.8
339.05005	5.7
357.06543	2.3
403.08475	1.4
417.15457	3.4
431.07523	7.6
451.10199	2.2
463.10037	2.8
481.11273	100.0
482.11465	2.8
535.60510	1.2
603.73468	1.3
627.29785	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	627.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97645	0.1
53.03925	0.3
55.01859	0.3
57.03423	0.5
59.98996	0.1
61.02924	0.9
65.03915	0.2
67.63887	0.1
68.99796	0.4
69.03078	0.1
69.03425	2.3
70.99258	0.2
70.99570	0.1
71.04984	0.3
73.02912	0.4
81.03409	1.0
83.01326	0.1
85.02898	6.1
87.04456	0.2
91.03941	0.3
93.03391	0.2
95.04933	0.2
97.02885	2.4
99.04433	0.3
109.02869	0.9
110.03706	0.1
111.00783	0.7
121.02872	0.7
123.04396	0.1
127.03910	1.6
127.89970	0.1
137.02333	2.6
137.03391	0.2
145.04933	1.1
145.06068	0.1
147.04398	0.1
149.02295	0.5
153.01814	2.9
155.04831	0.2
161.05949	0.1
161.14830	0.1
163.03937	0.6
165.01822	1.8
166.02612	0.2
171.02847	0.1
173.05965	0.2
177.05435	0.1
179.03368	0.1
183.02901	0.8
183.04332	0.1
187.03957	0.1
191.03416	0.2
195.02893	0.3
201.05443	1.3
205.04944	0.2
213.05435	0.1
219.02887	0.2
219.06485	0.2
228.04205	0.1
229.04951	3.1
233.04411	0.1
247.05980	0.6
257.04428	2.4
274.02136	0.1
274.04767	0.7
275.05331	0.2
285.03897	0.9
303.04956	100.0
304.05286	2.0
329.48697	0.1
345.06015	0.3
465.10251	6.2
466.10425	0.2
646.25592	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	627.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
57.03428	0.6
58.52043	0.3
61.02909	1.3
65.03938	0.3
66.22158	0.2
69.03426	2.2
71.51400	0.7
73.02915	0.6
81.03401	1.6
85.02900	10.7
91.03954	1.4
97.02877	3.7
99.04474	0.5
109.02842	1.0
109.49846	0.3
111.00806	0.6
121.02859	1.0
127.03904	2.9
127.78879	0.3
137.02315	3.1
145.04945	3.0
149.02374	0.4
153.01817	3.8
163.05995	0.8
165.01848	2.1
166.02705	0.3
173.05980	0.4
183.02953	0.7
195.02892	0.3
201.05489	1.6
229.04947	3.9
257.04382	2.9
274.04678	1.0
285.03909	1.5
303.04968	100.0
304.05362	1.0
315.04987	1.2
327.05096	0.6
345.06085	2.5
369.06027	1.1
388.48190	0.3
399.06909	0.3
411.06873	0.4
416.41257	0.4
447.09094	0.4
465.10324	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	627.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	0.4
61.02923	3.5
67.01871	0.2
68.99793	0.5
69.03423	0.9
71.04966	0.3
73.02902	1.0
75.85474	0.1
81.03388	0.4
81.51660	0.1
85.02899	4.5
86.94710	0.1
91.03951	1.9
93.03413	0.3
95.04932	0.3
97.02881	2.2
99.04445	0.2
109.02868	0.5
111.00788	1.0
121.02841	0.8
123.04413	0.2
127.03927	0.9
130.74042	0.1
133.02821	0.3
135.04398	0.2
137.02333	3.2
139.03929	0.2
145.04930	0.5
145.06525	0.1
149.02319	0.6
152.87578	0.1
153.01807	3.1
155.04889	0.2
159.12070	0.1
161.06050	0.2
162.05405	0.1
163.03902	0.5
165.01837	1.8
166.02646	0.3
173.06024	0.2
177.05353	0.1
183.02859	0.5
183.04349	0.3
195.02823	0.3
201.05415	1.3
205.05046	0.2
219.06609	0.3
226.98732	0.2
229.04956	4.0
247.06073	0.7
257.04456	2.3
274.04681	0.8
275.05423	0.2
285.04016	1.2
303.04965	100.0
304.05292	1.4
315.04541	0.1
319.04358	0.6
345.06070	0.2
429.08047	0.2
442.23529	0.2
447.09164	0.2
465.10266	8.1
606.17480	0.1
606.28259	0.2
608.55591	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01863	4.3
55.05256	1.9
55.05509	26.9
57.03434	2.6
57.07068	2.1
59.04965	1.1
61.37922	0.9
65.03935	2.6
67.05503	52.2
69.03428	11.3
69.07066	31.5
71.04986	1.1
71.16259	2.2
79.05489	48.4
81.03419	3.8
81.07053	43.6
83.04963	5.0
83.08622	8.3
91.05481	32.1
93.07038	43.6
95.04961	12.7
95.08604	25.6
97.02890	11.5
97.06532	4.1
97.10165	11.3
105.07028	21.9
107.04955	6.8
107.08591	22.6
109.06497	3.7
109.10155	13.7
111.08069	1.8
115.05477	1.6
117.07018	9.7
119.04896	1.1
119.08580	16.5
121.06522	1.8
121.10141	15.2
123.08080	3.0
123.11699	2.1
125.09633	6.7
127.98481	0.9
128.06277	1.6
129.07018	4.1
131.08560	13.7
133.06487	2.1
133.10130	8.7
134.07265	1.0
135.08029	2.1
135.11676	7.8
137.09602	3.2
141.07054	1.3
142.07828	1.3
143.08565	4.2
145.10103	9.2
147.08051	4.8
147.11690	5.8
149.09586	1.7
149.13263	5.1
155.08611	1.3
157.10123	3.7
159.07913	1.3
159.11650	6.0
161.09665	1.5
161.13237	2.8
163.11234	2.1
165.09186	1.4
165.50381	1.3
171.11713	1.7
173.13286	4.6
175.11185	2.2
177.12747	2.2
183.11684	1.2
185.13300	1.2
187.14832	1.2
189.11205	3.9
189.12770	1.1
195.13821	1.7
197.13336	1.5
204.89723	1.2
211.14900	1.3
223.13272	17.5
227.12817	1.7
227.17918	1.3
237.16411	1.3
243.21191	1.1
245.18947	2.0
249.14848	1.7
249.19084	1.2
255.17561	1.6
261.22165	3.4
273.18478	13.2
291.19534	100.0
292.19925	1.8
317.24744	3.1
335.25833	2.1
347.22333	2.0
497.76746	1.4
607.43671	2.2
625.44586	82.8
626.44788	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01870	5.6
55.05509	28.9
57.03435	5.4
57.07074	4.5
59.04986	2.9
65.03933	3.3
67.05505	42.7
69.03434	2.3
69.07060	15.7
69.26569	8.3
71.04987	4.2
71.08649	0.8
74.40947	1.0
79.05491	31.0
80.05824	0.9
81.03428	2.9
81.07054	48.2
83.04978	6.4
83.08620	18.1
84.90596	0.8
85.02932	0.8
85.06546	2.9
91.05474	29.9
93.07040	27.8
94.18348	0.8
95.04978	5.8
95.08600	25.9
97.06513	7.7
97.10165	16.8
97.10761	1.2
98.21452	1.6
99.08103	1.1
101.95994	0.8
103.05489	1.2
105.07027	27.3
107.04953	2.9
107.08592	21.8
107.09295	1.6
109.06493	4.1
109.10157	16.1
111.08086	3.8
114.26018	1.1
115.05482	2.4
117.07011	15.2
119.08586	21.1
119.09443	1.2
121.06478	1.6
121.10153	11.7
123.08083	1.7
123.11698	13.1
124.98000	0.8
125.09621	10.2
126.67566	1.0
128.06184	4.3
129.06995	15.8
130.07768	1.6
131.08568	19.1
133.10132	20.2
135.08076	3.1
135.11696	7.5
137.09651	0.9
137.13229	0.9
139.11125	0.9
141.06978	6.7
142.01147	0.9
142.07780	4.2
143.08559	21.5
144.09358	2.0
145.10121	19.1
146.10587	0.8
147.08150	1.0
147.11682	9.9
149.09624	2.1
149.13289	3.9
151.11205	2.4
153.07060	1.7
154.07779	2.1
155.08563	13.8
156.09358	3.0
157.10127	20.0
159.11681	16.3
161.09650	1.6
161.13264	6.6
163.11189	2.0
163.14882	1.4
165.07013	2.0
167.08542	6.5
168.09363	3.2
169.10136	17.2
171.11685	17.1
173.09691	0.9
173.13234	9.5
175.14839	2.9
179.08601	2.3
179.14392	1.5
181.10077	8.0
182.10954	1.9
183.11688	18.2
184.12372	1.2
185.13264	16.9
187.13307	5.1
187.14880	6.8
189.11292	6.0
189.12790	1.5
193.10184	3.1
194.10918	1.3
195.11684	8.8
196.12337	0.9
197.13249	16.2
197.15042	1.6
199.11226	1.0
199.14821	8.4
199.16318	0.9
201.12743	1.4
201.16417	3.3
205.10081	1.3
207.11749	4.8
208.12566	1.0
209.13257	7.4
210.14058	1.3
211.14830	10.7
212.15698	0.8
213.14658	1.8
213.16444	6.5
215.18065	2.3
221.13237	2.4
221.15321	1.1
223.14835	5.8
225.16370	6.4
225.67491	1.0
227.12773	7.1
227.18024	4.4
229.19492	1.3
233.13161	1.2
235.14853	3.2
237.16362	4.7
239.17969	5.2
241.19489	4.8
242.25603	0.9
243.15825	6.2
245.19144	0.9
249.16394	1.5
251.18053	1.5
253.19583	3.0
255.21121	2.1
257.19019	2.2
259.20703	4.3
263.17987	1.8
265.19504	1.2
267.21161	2.4
269.22610	1.2
273.18509	1.4
275.20087	6.3
279.21210	1.1
281.22375	1.0
283.20511	1.5
285.22321	1.3
291.19702	2.0
295.20590	0.9
297.22195	1.4
299.20026	1.1
305.22644	0.9
309.22171	1.6
311.20377	0.9
311.23776	1.4
313.21729	1.3
321.22006	1.5
333.24463	1.8
339.23212	1.2
341.24796	1.5
347.27554	1.2
349.24051	2.9
355.26248	1.0
361.25183	1.0
363.26968	1.5
365.28400	14.0
375.27176	0.9
379.30215	1.2
381.27524	1.2
381.31723	6.2
383.29575	5.0
409.30774	1.0
411.28955	1.1
421.31094	3.6
439.32199	6.4
445.30835	1.7
474.95428	0.9
513.35724	6.7
515.38892	7.3
527.36505	1.7
533.39990	9.7
543.37262	1.3
551.41040	4.2
553.39209	1.0
555.37097	1.7
581.36224	1.0
589.42584	3.6
607.43524	37.4
608.43549	1.7
625.44586	100.0
626.44806	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.0
53.59772	1.6
55.01873	15.6
55.05510	33.9
57.03424	8.4
57.07066	4.4
58.31333	1.2
58.33879	1.4
59.04992	1.8
60.30583	1.2
65.03942	4.2
66.92515	1.4
67.05502	63.8
69.03439	2.0
69.07066	30.2
71.04987	6.3
79.05492	46.6
79.05956	2.5
81.03417	2.9
81.07055	64.9
82.07411	1.5
83.04966	7.1
83.08614	18.4
85.06552	4.2
91.05480	41.3
93.07042	46.3
95.04970	9.4
95.08606	34.9
97.06519	11.4
97.10169	13.3
99.08088	3.4
105.07027	47.1
107.04963	4.8
107.08595	30.6
107.09302	2.7
109.06544	6.4
109.10155	22.5
109.73441	1.5
111.08074	5.8
115.05455	2.8
117.07018	20.1
119.08585	29.2
121.06510	3.0
121.10139	17.3
123.08086	3.4
123.11709	11.3
125.09611	9.6
128.06183	7.0
129.07001	19.5
130.07826	1.8
131.08566	32.2
133.06497	2.1
133.10132	27.6
134.11089	1.5
135.08087	5.5
135.11678	12.3
137.09633	2.3
141.07025	10.1
142.07806	4.3
143.08557	22.2
145.06506	2.4
145.10118	30.0
147.08063	3.4
147.11664	16.2
149.09654	4.9
149.13226	7.1
151.11203	2.7
153.07104	2.4
154.07849	2.1
155.08540	15.3
156.09360	4.0
157.10127	23.4
159.11685	24.9
161.09660	1.8
161.13249	11.0
163.11142	3.7
163.14847	3.3
167.08624	7.5
168.09340	4.0
169.10143	19.8
171.11661	19.5
171.12944	1.8
173.09651	2.1
173.11871	2.8
173.13300	10.0
175.11179	2.4
175.14906	5.7
177.12772	3.0
179.08546	4.1
179.14301	1.5
181.10083	13.2
182.10854	2.4
183.11684	20.5
185.09624	1.8
185.13245	16.9
187.11211	3.3
187.13330	3.9
187.14925	5.2
189.11258	4.6
189.16499	2.4
193.10191	5.2
195.11639	10.4
197.13266	15.0
199.11311	1.6
199.14835	8.4
201.12724	2.0
201.16457	4.0
207.11687	4.8
209.13289	8.4
211.14844	10.2
213.12878	2.4
213.16467	6.1
215.18069	2.7
217.15840	2.6
221.13292	4.7
223.14845	7.4
225.16475	5.3
227.12788	6.4
227.18172	3.3
231.17436	2.0
233.13199	1.7
235.14935	5.2
237.16466	5.0
239.18045	5.4
241.19580	7.2
243.15874	2.9
245.19034	1.8
247.14830	3.5
249.16478	3.0
251.17960	3.6
253.19446	2.8
257.19122	4.2
259.20450	7.1
267.21347	1.8
273.18567	2.5
275.20087	14.5
279.21133	1.8
283.20566	1.7
295.20609	1.7
297.22061	3.7
309.21906	1.8
311.19974	2.3
311.23636	1.9
313.21664	2.0
315.23306	2.2
325.21756	1.8
327.23239	1.7
333.24307	8.1
337.25314	2.2
341.24579	1.8
347.22626	1.8
349.23590	7.2
365.28333	6.8
367.26297	1.7
381.31754	2.9
383.29849	3.3
403.29770	2.7
403.37561	1.7
421.30936	4.7
439.32141	5.3
475.33804	1.4
495.34811	2.7
513.35809	23.1
515.39209	7.5
527.37128	4.4
533.39984	13.0
538.36609	1.7
539.37372	1.5
551.40869	9.5
553.39301	2.3
589.42419	3.2
607.43597	47.0
625.44611	100.0
626.45056	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01867	15.1
55.05509	39.8
57.03428	8.0
57.07066	3.7
59.04987	1.9
62.59441	1.7
65.03934	5.9
67.05501	83.8
69.03432	5.6
69.07066	36.0
69.38445	17.8
71.04989	7.3
79.05051	3.9
79.05488	53.2
79.17321	1.7
80.05828	1.8
81.03410	7.8
81.07053	80.2
83.04972	8.1
83.08613	20.0
85.06537	2.9
91.05471	61.6
93.07036	59.2
95.04948	11.2
95.08599	51.5
97.06541	18.4
97.10176	15.2
98.98420	2.8
99.08120	2.6
103.05454	3.8
105.04604	1.9
105.07027	53.9
107.04971	4.4
107.08594	36.6
109.06512	7.4
109.10130	28.7
111.04418	2.2
111.08078	6.9
115.05487	5.6
117.07011	25.2
119.08576	47.5
121.06527	4.9
121.10128	23.7
123.08086	4.9
123.11732	6.1
125.09657	7.9
128.06229	6.6
129.01431	1.7
129.06993	23.5
130.07790	2.9
131.08572	38.2
133.06516	3.7
133.10126	32.1
135.08073	4.4
135.11665	13.5
137.09639	4.9
139.11201	3.1
141.06985	11.5
142.07761	5.4
143.08545	27.1
145.06560	3.4
145.10120	33.9
147.08023	3.7
147.11707	20.8
149.09613	8.1
149.13297	6.2
151.11153	2.4
153.07024	4.2
155.08537	16.5
156.09311	2.8
157.10133	19.9
159.08073	4.2
159.11696	27.4
161.09685	3.4
161.13234	14.2
163.11227	5.4
167.08580	7.8
168.09341	4.3
169.10120	20.9
171.08069	1.9
171.10292	3.4
171.11679	22.7
173.09619	4.2
173.11763	4.4
173.13277	17.2
175.11226	1.9
175.14839	7.0
177.12820	2.5
179.08511	3.9
180.09372	2.1
181.10185	10.1
183.11694	19.7
185.13231	15.6
187.11214	4.0
187.13293	2.7
187.14851	8.2
189.11169	2.8
189.16388	4.1
191.14433	2.8
193.10139	3.6
193.12421	2.0
195.11745	10.3
195.13643	3.0
196.12172	2.0
197.13225	18.3
199.14793	12.3
201.16388	4.6
203.14433	3.2
207.11731	5.0
209.13261	7.1
211.14900	10.3
213.12883	2.7
213.16438	7.1
215.14209	2.1
221.13326	6.1
223.14771	8.5
225.16403	5.5
225.53821	1.7
227.12717	2.4
227.18022	4.3
235.14835	4.3
237.16461	3.0
239.17996	6.3
241.19508	6.2
251.17995	2.1
253.19711	2.4
257.19098	5.2
259.20441	9.6
261.21997	2.2
263.17908	2.2
265.19507	3.3
269.17529	2.7
273.18512	5.9
275.20050	14.6
287.20126	2.0
295.20422	2.3
301.25223	2.7
315.23151	3.9
315.64633	1.9
321.22202	2.3
329.24884	2.5
331.22968	2.9
333.24634	4.1
335.23526	3.1
339.18155	2.0
341.24655	2.9
347.22360	3.0
349.24060	6.1
353.24796	3.3
363.27029	2.5
365.28433	3.4
371.25827	3.8
379.30011	3.0
381.31839	3.5
389.27472	2.6
421.30884	5.3
423.27380	2.0
435.32843	2.7
445.29483	12.7
453.33524	2.2
463.30478	7.5
471.35089	2.1
495.34827	2.5
509.35681	2.1
513.35809	16.6
515.38550	7.6
527.37238	19.1
533.40173	11.9
551.40680	11.4
569.41711	3.6
589.42804	3.1
607.34686	1.8
607.43542	54.6
625.34955	6.1
625.44550	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	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17657	1.9
53.03939	5.2
54.97510	2.0
55.01857	6.9
55.05502	33.6
57.03428	9.0
57.07053	2.0
59.04990	2.3
61.43684	2.1
65.03931	2.8
67.05501	60.1
69.03410	5.2
69.07062	21.9
71.04983	6.0
71.33523	2.4
71.33862	4.9
79.05482	38.3
81.03419	6.3
81.07052	59.8
83.04962	6.9
83.08610	17.3
85.02933	2.1
85.06531	4.6
91.05473	35.3
93.07037	38.1
95.04961	8.5
95.08592	31.1
97.02863	2.4
97.06512	9.2
97.10169	14.4
99.08108	3.3
105.07003	32.1
107.04965	3.2
107.08580	29.3
109.06525	5.1
109.10153	23.0
111.08056	6.0
117.07013	16.1
119.08569	21.7
121.06491	4.2
121.10144	12.9
123.08096	2.1
123.11712	16.4
125.09622	13.1
128.06210	5.8
129.06987	15.3
131.08560	28.3
133.10104	25.2
135.08043	3.8
135.11691	8.1
137.09599	2.6
141.06990	7.6
142.07762	5.3
143.08546	21.9
145.10112	25.4
147.11690	12.9
149.09648	4.8
149.13255	5.0
150.95454	2.0
151.11113	2.3
153.06979	2.0
154.07799	3.2
155.08540	13.2
156.09300	2.7
157.10103	19.7
159.08080	2.1
159.11699	15.7
161.13251	6.1
163.11150	3.6
165.06963	2.6
167.08560	4.2
168.09294	2.4
169.10120	16.8
171.11667	17.7
173.11937	3.4
173.13225	12.2
175.11249	2.7
175.14816	4.0
177.12865	2.3
179.08534	2.6
181.10147	11.3
183.11667	17.6
185.13254	13.9
187.13287	5.6
187.14815	5.4
189.11220	8.6
189.16257	2.3
195.11690	8.2
197.13248	12.3
199.14880	7.8
201.16374	4.2
203.14264	2.2
207.11696	3.7
209.13321	8.7
211.14748	10.8
213.16377	6.4
215.17821	2.7
216.06931	2.4
223.14862	7.1
225.16438	5.0
227.12582	10.2
227.17947	2.4
235.14830	5.5
239.17946	6.3
241.19525	4.7
243.16025	6.5
251.17941	4.6
259.20560	4.6
273.18579	3.1
275.20114	9.3
276.20602	2.2
281.29849	2.3
349.23810	3.7
363.26624	3.8
365.28244	13.6
381.31808	3.8
383.29611	3.1
389.27448	2.4
421.31036	3.6
439.32034	4.4
445.29620	9.6
463.30402	3.8
497.37436	3.1
513.35889	4.0
515.38702	7.6
527.37079	3.7
533.40131	12.0
551.41064	4.2
607.43329	35.6
625.24414	5.0
625.34363	3.8
625.44476	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	625.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.9
55.01868	28.8
55.05509	30.2
57.03184	1.4
57.03432	9.0
57.07057	3.8
65.03934	2.1
67.05501	63.5
69.03433	2.2
69.07064	67.9
71.04981	3.5
71.08624	2.2
79.05490	50.2
81.03419	5.7
81.07054	67.4
83.04971	9.9
83.08618	15.1
85.06565	2.7
91.05473	63.1
93.07038	53.6
95.01348	2.7
95.04965	14.3
95.08601	48.8
97.06525	33.4
97.10165	5.6
98.20722	3.7
99.08073	4.2
103.05439	3.2
105.07024	57.7
107.04951	8.2
107.08582	30.4
109.06522	5.6
109.10159	22.3
111.08099	3.4
113.09698	1.8
115.05462	2.8
117.07014	23.5
119.08577	41.7
121.06500	4.6
121.10126	22.7
123.08067	6.9
123.11720	4.0
125.09647	5.0
125.91373	1.4
128.06218	4.6
129.06996	19.6
130.07797	2.2
131.08560	38.8
133.06477	3.0
133.10118	37.2
135.08061	4.5
135.11676	14.4
137.09593	3.7
137.13281	1.6
141.06976	7.2
142.07799	4.4
143.08560	26.3
144.09317	1.7
145.06456	3.3
145.10118	38.7
145.11263	2.0
147.08136	2.9
147.11671	23.5
149.09642	9.2
149.13203	7.2
151.11220	3.1
153.06966	2.2
154.07755	2.5
155.08548	15.9
157.06483	2.1
157.10132	22.9
158.10945	1.7
159.08080	1.9
159.11693	30.3
161.09644	2.8
161.13243	17.3
163.11220	6.0
163.14813	3.1
163.18106	1.3
165.07057	2.3
165.12775	2.1
167.08594	6.0
169.10153	16.5
170.10832	1.6
171.08167	2.7
171.10255	3.0
171.11668	23.0
173.09634	2.0
173.11809	1.6
173.13220	17.0
175.11145	2.7
175.14854	7.2
177.12779	3.2
179.08556	3.4
179.14326	3.1
181.10118	10.2
183.11690	14.8
185.09689	2.5
185.13277	15.7
187.11150	3.6
187.14803	8.4
189.12787	2.7
189.16393	3.0
191.14328	2.2
193.10133	4.0
195.11668	10.0
197.13234	10.1
199.11121	2.3
199.14822	10.4
201.12769	2.4
201.16402	3.4
203.14308	1.5
207.11797	3.0
208.12459	1.7
209.13289	9.2
211.14824	7.6
213.16457	6.0
215.18082	2.1
217.15825	1.6
219.13889	1.4
221.13269	5.7
223.14868	5.4
225.16516	4.6
227.18071	2.1
235.14890	3.3
237.16472	5.4
239.17963	3.5
241.19514	11.1
249.16377	1.5
255.17305	1.9
257.18982	7.0
259.20590	18.3
263.20126	2.8
265.19388	2.1
267.21265	1.8
269.18933	1.4
271.20724	3.4
273.18600	7.8
275.20056	32.6
279.16071	2.2
283.20444	1.7
289.21637	2.3
291.19553	4.1
293.21436	2.7
297.22092	2.0
313.21756	3.0
315.23288	4.3
325.25287	3.2
327.23190	2.7
331.22839	2.7
333.24313	12.9
339.23132	2.3
339.26920	2.2
341.24811	2.8
347.22253	2.1
349.23700	20.9
353.24677	1.8
381.27670	1.9
393.27765	2.3
419.33347	2.9
421.25876	1.7
421.31079	3.6
435.32709	4.6
437.34235	12.4
439.32193	1.5
455.35544	1.9
463.31641	1.7
493.37021	2.0
495.35168	2.6
497.38037	1.9
499.34399	1.7
501.34988	3.4
505.40427	2.3
509.35971	2.3
511.37988	8.1
513.35547	9.8
515.38824	6.4
517.35510	1.8
527.37219	5.9
529.38959	4.8
533.39844	10.7
537.35504	2.5
551.41132	9.2
553.22406	1.6
555.36841	4.2
556.37488	1.9
589.42700	2.6
597.45288	2.5
607.43457	56.0
608.44696	2.1
625.44586	100.0
626.44696	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17913	1.2
53.03938	3.3
55.01867	9.0
55.05507	32.5
57.03435	7.9
57.07075	2.5
59.04983	1.2
65.03930	2.0
67.05500	53.5
69.03460	1.9
69.07063	23.7
71.04984	3.9
71.08616	1.1
76.43268	1.0
79.05487	36.5
81.07051	52.1
83.04971	4.4
83.08614	14.2
85.06526	3.6
91.04891	1.8
91.05472	32.7
93.07035	32.3
95.04964	5.2
95.08602	29.0
97.06519	10.5
97.10157	13.0
99.08084	2.6
103.05485	1.4
105.07026	29.1
107.04975	3.9
107.08582	22.7
109.06508	4.0
109.10152	18.9
111.08091	4.0
115.05481	2.6
116.22300	1.1
117.07011	14.9
119.08577	24.0
121.06530	2.0
121.10132	12.0
123.08080	2.2
123.11715	8.7
125.09612	8.6
128.06235	4.3
129.06995	15.6
130.07782	1.8
131.08566	20.5
131.09502	1.5
133.10133	22.3
135.08070	3.8
135.11690	7.6
136.30772	1.3
137.09631	2.7
137.13222	1.2
141.06952	6.5
142.07817	4.1
143.08549	20.9
145.06575	1.7
145.10120	19.3
147.08037	1.9
147.11674	10.3
149.09630	3.5
149.13252	2.4
151.11186	2.1
153.07045	2.0
154.07806	2.4
155.08548	13.5
156.09372	3.2
157.10124	21.1
159.08073	1.6
159.11687	15.9
161.09546	1.3
161.13237	7.2
163.11218	3.1
163.14842	2.3
165.06987	1.4
165.12817	1.3
166.07831	2.3
167.08548	5.8
168.09352	2.7
169.10126	16.5
171.11681	18.7
173.09610	1.7
173.11856	2.2
173.13194	8.1
175.14844	3.8
179.08530	3.7
181.10120	8.3
182.10971	2.3
182.58931	1.3
183.11719	15.5
185.09621	1.2
185.13211	12.1
187.13329	2.7
187.14851	4.1
189.11264	5.1
189.12836	1.8
189.16374	1.9
192.09375	1.2
193.10132	2.7
195.11685	7.4
197.13266	11.9
199.14810	9.5
201.16441	2.4
207.11716	3.3
209.13295	8.0
211.14793	10.4
213.16428	4.2
215.17938	1.9
219.11732	1.3
221.13280	4.0
223.14932	4.2
225.16440	5.0
227.12782	5.7
227.18045	2.3
235.14780	1.9
237.16425	3.7
239.18033	4.7
241.19568	3.8
243.16008	4.0
249.16603	2.0
251.17946	3.4
253.19574	2.4
255.17503	1.7
257.19037	2.9
259.20505	6.2
261.22211	1.4
263.17780	1.4
265.19540	1.6
267.21378	1.4
271.20502	2.0
273.18561	4.2
275.20071	8.1
277.19290	2.4
279.21252	1.4
283.20630	1.8
291.19623	2.8
297.22220	1.7
299.20065	1.5
309.21793	1.8
311.23492	1.5
313.21631	1.8
323.23807	2.0
329.21060	1.5
329.24902	1.6
333.24323	3.8
339.23233	1.6
341.24936	1.4
349.23917	4.0
353.24786	1.4
363.27194	1.4
365.24585	1.8
365.28491	6.9
379.29962	2.9
381.31671	3.4
383.29330	2.7
393.27518	1.2
403.29788	2.0
408.77676	1.2
409.31201	1.7
421.30942	4.5
437.34421	2.0
439.32056	4.7
447.32748	1.5
497.37503	2.8
513.35785	18.2
515.38861	8.6
533.40118	12.2
551.40851	6.7
555.37286	2.2
579.12787	1.5
589.42358	3.5
597.45532	1.9
607.43488	43.0
608.43634	2.0
625.44592	100.0
626.45038	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	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.6
53.03937	5.9
55.01623	2.2
55.01873	40.9
55.05511	33.1
57.03440	9.8
57.07063	5.1
65.03938	4.6
67.05503	70.5
67.20773	1.4
69.03408	2.0
69.07065	86.0
70.15678	6.7
71.04988	4.4
71.08643	2.6
71.72124	1.3
79.05491	55.2
81.03407	6.5
81.07056	74.8
82.07449	1.5
83.04984	10.5
83.08623	15.6
85.06532	4.7
91.05477	66.8
93.07044	52.9
95.01324	4.4
95.04955	19.9
95.08606	51.4
97.06525	44.2
97.10176	7.6
98.20834	1.5
99.08066	3.5
103.05505	1.8
105.07029	68.6
107.04959	16.8
107.08599	33.1
109.06522	8.7
109.10149	18.9
109.10832	2.3
110.22086	1.6
111.08083	5.2
113.05973	1.8
115.05437	3.6
117.07027	27.0
119.08571	44.3
121.06514	5.8
121.10141	17.4
123.08079	6.2
123.11702	5.3
125.09648	5.4
128.06253	5.5
129.05544	1.7
129.07005	18.5
130.07802	2.7
131.08560	46.1
131.09514	2.9
133.06520	2.9
133.10130	39.1
135.08054	5.3
135.11691	13.3
137.09607	2.4
139.11197	2.5
141.06982	7.5
142.07774	3.8
143.08546	26.7
145.06454	3.4
145.10123	47.1
147.08034	4.0
147.11690	28.0
148.12042	2.1
149.09605	10.6
149.13275	7.9
151.11192	2.9
153.06995	2.2
154.07808	1.9
155.08545	17.4
156.09349	2.8
157.10124	26.7
158.10928	1.6
159.08051	3.5
159.11685	31.0
161.09586	3.5
161.13264	17.6
163.11218	7.3
163.14848	3.0
165.07050	2.8
167.08597	6.0
168.09280	2.0
169.10121	20.1
171.08099	2.3
171.10219	4.3
171.11652	24.7
173.09688	3.1
173.13255	18.4
175.11229	4.9
175.14828	10.7
177.12790	4.6
178.07828	1.9
179.08598	4.0
179.14330	6.3
181.10136	13.4
183.11697	18.9
185.09633	3.2
185.13261	20.8
187.11188	5.7
187.14784	10.5
189.12839	2.3
191.14354	1.5
193.10159	4.4
194.10843	1.8
195.11726	11.0
197.13271	12.6
199.11098	2.8
199.14876	11.2
201.16463	4.2
203.14323	1.8
205.10143	1.7
207.11742	3.7
209.13312	8.3
210.14127	1.8
211.14746	8.9
213.12807	2.7
213.16374	8.1
215.18030	3.8
217.15921	2.5
217.19566	3.2
221.13319	4.8
223.14870	6.3
225.16403	4.3
227.18039	3.3
229.19638	1.9
231.17422	2.0
231.21130	3.5
235.14822	2.2
237.16447	5.8
239.17935	5.6
241.19501	19.4
247.17030	1.9
251.17931	2.7
255.17250	1.9
257.19073	9.3
259.20587	19.6
263.17944	2.1
265.19418	2.7
267.21085	1.9
268.60767	1.5
273.18546	9.0
275.20071	46.0
276.20358	2.4
277.21640	4.5
279.15875	2.7
279.21011	1.7
281.22629	1.5
283.20670	2.5
285.22229	1.6
291.19614	6.2
293.21225	4.4
297.22192	4.4
299.20297	1.7
299.23572	2.1
309.22400	1.8
309.25806	1.7
311.23489	2.1
313.21710	2.3
313.25177	1.9
315.23325	6.5
321.22015	1.9
323.23737	3.1
325.25317	2.5
333.24243	20.3
335.25922	2.4
341.24866	1.6
349.23694	32.1
351.26492	2.0
353.24747	2.4
363.27090	1.9
369.28253	2.1
417.31555	3.0
419.33395	4.6
421.31158	4.6
435.32742	7.3
437.34317	21.4
439.31915	2.1
453.33777	1.8
455.35358	1.7
463.32037	1.9
473.33148	1.7
475.35751	1.7
493.36780	2.1
501.35880	3.0
505.40726	2.0
509.36374	5.1
511.38013	15.8
513.35724	9.2
515.38812	6.6
527.37469	7.3
529.38885	7.8
533.39948	12.3
537.35535	2.5
538.36664	2.0
551.40906	9.6
553.39160	2.1
555.37109	5.3
556.37640	3.5
597.45184	3.0
606.36176	1.6
607.43597	58.9
608.43958	4.8
625.29688	12.9
625.44592	100.0
626.45239	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	625.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.3
53.71519	2.8
53.96373	2.8
55.01861	10.2
55.05512	30.5
57.03432	12.6
57.33441	2.9
59.04988	3.8
61.02924	5.0
65.03928	6.3
67.05502	90.0
69.03432	14.2
69.07071	25.2
69.26941	16.8
69.27367	15.9
71.01321	3.0
71.04985	13.2
77.03975	2.9
79.05487	51.3
81.03417	38.3
81.07056	87.5
83.04992	18.0
83.08607	12.2
85.02904	10.9
85.06538	5.0
91.05473	64.8
93.07040	59.7
93.79648	3.2
95.04965	18.5
95.08605	36.2
97.02893	13.0
97.06536	16.4
97.10162	10.5
99.04431	8.6
101.33727	2.7
105.07034	46.7
107.04955	11.5
107.08597	28.6
109.02856	11.3
109.06497	9.6
109.10130	18.8
111.03654	2.8
111.04427	5.7
111.08086	3.6
117.07023	18.5
119.04966	3.5
119.08578	33.4
121.06525	6.4
121.10134	17.6
123.08072	4.2
123.11746	4.9
125.09603	4.0
127.03915	7.2
129.06990	15.1
131.08553	33.3
133.10141	26.0
135.08086	5.7
135.11685	18.9
141.06967	5.6
143.08557	13.6
145.06418	3.8
145.10100	25.4
147.08044	5.3
147.11716	11.3
149.07214	3.5
149.09601	4.6
149.13261	11.5
151.11215	4.6
155.08507	7.4
157.06526	3.5
157.10124	10.9
159.08069	4.9
159.11688	19.1
161.13243	5.7
163.11148	6.4
167.08533	6.7
169.10074	7.4
171.11737	8.9
173.04527	6.0
173.11761	3.9
173.13257	3.1
174.13631	2.7
175.11160	3.9
177.12790	8.4
181.10052	4.4
183.11765	8.6
185.13263	5.1
193.12218	4.2
195.13826	9.8
197.13208	5.8
199.14806	4.1
209.13335	3.7
243.15964	4.2
247.17035	3.2
267.15842	4.6
269.17407	14.0
275.20029	6.2
325.25497	4.3
335.23901	4.3
339.18085	3.3
343.26306	5.4
353.24701	16.6
371.25739	18.8
389.26935	19.7
445.29459	100.0
446.29947	3.7
463.30487	72.9
607.34528	12.2
625.35620	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	7.2
54.48591	2.1
55.01856	6.4
55.05510	29.5
57.03436	19.5
58.31998	2.0
58.98364	1.9
61.02907	6.7
65.03922	3.3
67.05502	86.9
67.46275	2.0
69.03426	28.0
69.06769	2.4
69.07068	25.6
69.56722	4.8
69.57123	13.9
71.01353	2.8
71.04988	14.6
71.08628	2.3
73.02898	5.2
76.03089	2.2
77.03906	2.1
79.05492	56.4
79.05942	1.9
80.05849	2.8
81.02982	3.7
81.03417	51.8
81.07053	100.0
83.04471	3.2
83.04970	30.3
83.08620	19.7
85.02893	17.7
85.06538	7.2
91.03937	4.4
91.05482	46.7
93.06464	4.5
93.07042	67.7
95.04450	2.2
95.04958	15.1
95.08048	2.8
95.08605	33.8
97.02881	22.0
97.06523	13.5
97.10162	5.1
99.04414	7.5
99.08099	6.3
101.02332	2.8
105.07017	34.4
107.04943	9.2
107.08590	47.1
109.02848	9.8
109.06499	6.2
109.10164	15.7
111.04415	8.1
111.08064	5.9
115.05431	3.2
117.06998	18.9
119.08595	15.9
121.06483	8.9
121.10140	20.9
123.08036	2.3
123.11710	5.6
127.03899	13.8
127.07554	2.0
129.05481	12.5
129.06990	8.4
131.08580	22.0
133.06458	2.6
133.10114	23.4
135.08121	2.5
135.11697	16.0
137.09607	3.9
139.11098	2.4
143.08562	7.1
145.06598	2.5
145.10069	10.6
147.08109	2.9
147.11691	13.4
149.09622	4.6
149.13264	24.4
155.08516	3.3
157.10100	6.1
157.56190	2.2
159.08067	2.2
159.11699	21.2
165.12712	3.9
171.11665	4.2
173.04440	8.0
173.11731	2.3
173.13167	3.6
177.12732	10.8
179.14282	2.7
185.09497	3.2
195.13789	24.6
197.13164	3.8
203.73784	2.1
207.13728	2.6
213.14839	4.3
235.13351	2.9
243.15910	2.9
263.15338	2.1
267.15851	6.3
269.17480	48.2
275.16452	2.7
297.16891	2.4
303.15692	2.9
321.16852	3.4
339.17996	7.7
353.24670	5.5
371.25714	4.3
377.19247	4.1
389.26559	4.3
395.20679	6.4
413.17093	5.1
413.22308	10.5
419.98288	2.5
427.28360	4.1
429.73737	2.1
445.29526	27.5
452.68854	2.8
453.20959	7.1
463.30530	67.9
487.30038	3.0
589.32996	3.6
607.34796	43.5
609.55890	2.4
625.31757	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.0
57.03407	3.5
63.22237	2.8
67.05499	29.9
69.07050	12.2
69.97444	2.8
70.85610	9.0
71.70846	2.5
79.05484	24.3
81.03441	3.1
81.07056	33.5
83.04972	6.7
83.08620	8.5
91.05470	29.1
93.07037	25.2
95.04947	4.9
95.08591	16.5
97.06485	4.8
97.10133	3.5
105.07014	25.2
107.08601	14.3
109.06496	5.4
109.10144	9.9
117.06984	13.4
119.08569	17.8
121.10111	7.1
123.11710	2.8
129.06995	10.8
131.08560	22.6
133.10147	13.9
134.36066	2.8
135.11702	4.1
143.08556	9.5
145.10106	13.0
149.09607	3.8
155.08533	5.7
157.10124	8.0
159.11661	4.3
169.10132	6.5
171.11690	5.8
177.12675	3.6
183.11887	3.2
185.13266	3.7
195.11737	3.4
197.13269	4.2
213.12444	2.9
239.21918	2.8
275.20111	3.6
335.23599	3.0
353.24716	6.9
371.25604	13.3
389.26801	14.1
427.28522	3.7
445.29474	100.0
463.30423	26.6
475.13916	2.9
527.37024	4.2
625.43958	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	625.3577
Annotation	Caribenolide I
Peak:m/z	Relative Intensity
53.03944	7.1
53.58204	2.5
55.01856	10.9
55.05509	40.3
57.03436	16.1
57.07047	3.3
59.04996	4.7
61.02907	2.9
62.30488	3.0
65.03913	7.0
67.05499	98.3
69.03403	8.8
69.07065	39.3
71.04955	19.3
72.08154	6.3
76.07851	3.0
79.05487	75.1
80.96544	2.6
81.03423	23.3
81.07050	100.0
83.04980	14.5
83.08609	26.6
85.02869	3.4
85.06535	6.3
88.17413	2.5
91.05472	75.4
93.07034	66.7
95.04967	13.7
95.08598	50.1
97.02872	5.6
97.06503	14.6
97.10159	13.7
99.04461	2.8
99.08077	3.9
103.05527	3.3
105.07019	61.4
107.04956	9.6
107.08592	41.2
109.02846	4.4
109.06511	11.1
109.10167	26.3
110.05249	3.1
111.08047	4.1
115.05401	4.0
117.07015	37.5
119.08567	43.5
121.06479	3.3
121.10112	21.0
123.08055	6.3
123.11691	10.5
125.09630	9.9
127.03899	3.6
128.06226	7.6
129.06989	26.7
131.08559	49.1
131.20338	2.7
133.06500	4.8
133.10133	32.8
135.08066	5.3
135.11684	20.5
137.37152	2.7
139.11156	3.4
141.06981	9.2
142.07771	7.5
143.08549	35.1
145.10115	35.8
147.08026	5.0
147.11699	14.7
149.09586	8.0
149.13229	7.1
151.11191	5.7
153.09084	2.9
154.07779	3.8
155.08559	19.6
157.10120	25.4
159.11664	23.6
161.09677	3.8
161.13229	7.7
163.11169	6.4
165.12711	4.0
167.08559	6.6
168.09299	3.5
168.82103	3.0
169.10110	23.5
171.11667	25.0
173.11824	3.5
173.13248	11.7
175.11183	3.8
175.14873	4.2
177.12775	6.1
179.08595	3.2
181.10147	11.2
181.12186	5.0
183.11667	20.1
183.13217	2.5
185.09587	4.9
185.13275	13.1
187.11205	4.4
187.13249	5.2
187.14801	6.3
193.10236	4.4
195.11642	13.0
195.13647	6.3
197.13246	16.8
198.27481	3.8
199.14847	8.1
207.11781	4.5
209.13269	8.9
211.14819	8.7
213.12910	3.5
213.16435	5.9
223.14801	5.3
225.16371	3.6
227.12785	6.3
237.16435	6.3
239.17920	4.6
241.19653	3.7
243.15852	3.1
251.18050	3.5
259.20615	4.5
269.17557	4.0
273.18631	3.6
275.20035	9.8
343.26398	4.4
353.24734	12.8
358.09851	3.2
365.28354	6.4
371.25665	11.0
377.27792	3.3
389.26901	15.9
403.29190	3.0
421.30768	5.3
423.27356	9.3
445.29456	78.2
463.30582	40.1
473.28189	3.3
513.35693	14.6
515.38458	8.4
527.37238	13.8
533.39709	11.5
536.17395	4.0
551.40576	9.5
593.32751	4.5
607.34076	4.2
607.43488	47.7
625.35358	13.6
625.44641	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70292	0.4
53.03937	1.2
54.87362	0.5
54.96618	0.5
55.01868	1.7
55.05505	4.8
57.03421	1.2
63.78945	0.5
67.05498	9.4
69.03428	0.6
69.07055	3.7
71.04991	0.7
71.74567	0.5
79.05491	8.4
81.03433	2.6
81.07052	9.1
83.04984	0.8
83.08614	2.0
91.05473	8.4
93.07034	6.0
95.04951	3.1
95.08602	7.2
97.06532	1.6
97.10190	1.8
99.08122	0.6
103.05476	0.5
105.07021	7.7
107.04963	1.4
107.08581	4.3
109.06526	1.2
109.10150	3.4
111.08060	0.7
115.05454	0.6
117.06989	3.5
119.08574	6.2
121.06528	0.7
121.10148	2.1
123.08093	0.7
123.11720	1.1
125.09632	0.7
128.06306	0.5
129.07030	2.0
131.08559	4.3
133.10112	4.2
135.08089	1.6
135.11736	2.2
141.07060	0.7
143.08594	1.9
145.10138	3.8
147.11722	2.1
149.09627	1.2
149.13280	1.4
155.08589	1.2
157.10179	1.6
159.11652	2.6
161.09634	0.7
161.13286	1.9
163.11194	0.7
167.08588	0.9
169.10168	0.9
171.11720	1.9
173.13281	2.0
175.14720	0.7
177.12762	0.5
181.10199	0.5
183.11740	1.4
185.13307	1.4
189.11226	0.5
195.11710	0.7
197.13286	1.0
209.13338	0.7
211.14952	0.7
217.16052	0.6
225.16199	0.6
229.19572	0.5
239.17966	0.7
241.19499	0.6
243.20795	0.6
245.19145	0.6
259.20605	1.2
273.18628	1.9
275.20056	2.9
277.21609	0.9
291.19373	0.9
293.21344	0.5
313.15143	0.5
315.74130	0.5
317.24493	0.6
321.80756	0.5
333.24658	0.9
335.25989	0.9
347.22211	1.0
349.23840	0.6
370.47296	0.5
391.19727	0.5
392.19824	0.7
405.21191	1.2
418.17740	1.4
419.18643	1.7
420.23273	3.2
421.24237	1.3
432.19464	2.0
433.20096	4.8
434.21198	1.9
435.22226	0.9
437.23541	0.9
446.21222	1.7
447.21979	3.7
448.22623	1.6
449.19388	3.3
450.16861	1.5
451.25009	2.3
452.26254	0.6
453.35660	0.9
463.20819	2.9
463.87549	0.6
464.22150	2.0
465.22913	4.2
477.22089	2.8
478.23645	6.6
479.24579	8.5
491.24872	2.3
495.24133	0.5
505.25888	0.9
523.22845	2.5
527.37158	4.1
533.25519	0.8
533.40002	1.1
534.26569	1.0
537.25854	1.8
537.28351	1.9
551.40991	0.8
565.28345	24.5
593.27325	0.6
596.26221	0.7
597.30493	0.8
597.45062	0.7
607.43463	4.7
624.43512	0.7
625.30194	100.0
625.44641	7.8
626.30322	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01848	0.4
57.03425	0.3
57.05666	0.2
58.06601	1.1
59.06913	0.2
61.02909	0.3
64.85314	0.2
65.03946	0.2
67.05489	0.4
68.99767	0.2
69.03417	1.3
70.85953	0.5
71.04966	0.4
72.63486	0.2
73.02875	0.2
77.88245	0.2
79.05487	0.3
81.03394	0.7
81.07021	0.2
83.01334	1.5
83.04968	0.2
85.02903	4.2
91.03960	0.2
91.05484	0.9
93.07030	0.2
95.04951	0.4
97.02877	1.2
99.04425	0.2
107.04948	0.7
109.02852	0.4
111.04450	0.4
119.04939	2.2
123.04364	0.3
125.05982	0.4
127.03921	0.8
137.06059	0.3
138.03120	1.7
145.04926	0.6
146.03035	0.2
147.04404	9.3
151.03909	0.3
153.05452	0.8
166.02608	1.5
173.78824	0.2
181.04941	100.0
182.05301	0.8
184.03653	4.1
184.87192	0.2
199.05923	0.4
210.14835	0.2
259.09659	0.5
301.10675	55.9
302.10983	0.8
303.05005	1.0
317.06519	0.5
402.76944	0.2
427.30453	0.2
463.15952	22.6
464.16510	0.4
625.21271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
56.96545	0.5
67.05471	0.2
69.03433	1.1
69.07052	0.2
70.90772	0.6
71.04972	0.2
71.51314	0.2
79.05491	0.4
81.03389	0.6
81.07064	0.5
83.01323	0.9
83.04941	0.4
85.02903	1.7
91.05472	0.9
93.07018	0.7
95.04942	0.5
95.08578	0.2
97.02901	0.9
98.97568	0.6
102.62434	0.2
105.07022	0.4
107.04936	0.4
107.08572	0.3
109.02817	0.2
109.06464	0.4
111.04419	0.4
116.98599	0.8
119.04947	2.0
119.08560	0.4
121.06479	0.5
121.10117	0.4
123.04388	0.5
125.05909	0.3
127.03881	0.3
128.98567	0.2
133.06467	0.2
134.99594	0.4
137.05902	0.4
137.09598	0.2
138.03148	1.0
145.10184	0.3
147.04404	9.5
147.08034	0.2
149.09683	0.2
151.03941	0.2
153.01839	0.6
153.05444	0.7
153.09035	0.3
158.99675	0.4
160.05209	0.2
161.09512	0.5
163.11069	0.3
166.02600	0.7
167.07056	0.2
168.45486	0.2
177.00740	0.8
179.03426	0.2
181.04948	100.0
182.05281	0.6
184.03673	2.9
189.32932	0.2
193.12245	1.0
194.12595	0.2
199.06010	0.7
205.12187	0.5
209.05322	0.2
211.02809	0.2
219.01762	0.3
221.07582	0.3
223.08929	0.3
223.13301	0.4
229.07219	0.5
237.02789	0.6
257.06949	0.2
259.09711	0.3
272.65247	0.2
279.09030	0.2
286.08289	0.2
297.10092	0.2
301.10672	55.7
302.10953	0.5
303.05005	0.3
311.10471	0.4
334.15302	0.9
334.65298	0.3
342.64935	0.4
346.03729	0.2
414.66998	0.3
415.17758	0.2
422.67090	0.5
423.17471	1.0
423.67767	1.7
424.18515	2.2
424.68375	0.4
441.14212	0.6
458.02545	0.2
463.15991	37.9
464.16238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1763
Annotation	Sexangularetin 3-neohesperidoside
Peak:m/z	Relative Intensity
56.96553	0.8
57.03424	2.1
61.02921	0.9
62.54702	0.7
67.05495	1.4
69.03421	1.8
70.76468	1.8
71.04995	13.8
73.02912	1.2
79.05489	0.7
81.07071	3.1
83.04967	0.8
85.02421	1.1
85.02908	14.9
91.05472	1.0
93.07050	0.9
95.04965	0.7
95.08600	0.9
97.02877	1.0
98.20815	0.7
103.52101	0.7
105.07046	1.1
107.04974	0.6
107.08598	0.8
109.02899	0.8
121.02814	1.4
122.09695	0.6
123.04408	0.8
123.08080	0.7
127.03953	1.0
128.10677	0.8
129.05467	2.6
137.02350	3.3
137.05969	1.2
140.10706	3.3
145.02834	0.7
147.04408	2.3
147.06511	1.0
151.03870	0.9
153.01865	0.8
161.06166	0.8
163.03935	1.4
167.03493	3.3
167.06993	1.1
177.05440	1.1
177.12843	0.8
179.03366	2.0
183.70679	0.6
197.04442	1.1
202.33028	0.7
205.04709	1.7
215.07065	1.2
243.06512	2.6
261.07401	0.7
269.17566	1.3
271.05957	1.4
287.05490	1.2
288.06253	0.8
299.05566	2.1
301.07104	5.0
301.10464	1.2
303.05014	1.6
304.05319	0.8
305.05411	0.8
317.06558	100.0
318.06854	1.9
359.07587	1.3
362.18320	0.7
408.30823	1.1
426.32410	0.8
434.83450	0.8
445.11124	0.8
445.24838	0.7
461.10696	1.6
463.11755	1.5
472.13934	0.6
479.11899	29.8
625.21942	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	625.1761
Annotation	isorhamnetin-3-rutinoside
Peak:m/z	Relative Intensity
52.16486	0.3
53.16425	0.3
55.05489	0.3
57.03433	2.5
59.04987	0.4
60.05243	0.4
61.02917	0.4
69.03409	0.5
69.36158	2.8
69.36569	0.6
71.04987	13.0
72.05286	0.3
73.02887	0.4
75.04453	0.7
81.03409	0.8
81.07033	0.5
83.04971	0.7
83.70657	0.3
85.02900	15.3
87.04448	0.5
94.60808	0.3
95.04935	0.7
95.99612	0.3
97.02879	0.7
99.04427	0.4
111.04411	0.4
121.02821	0.8
123.04442	0.7
125.02332	0.9
127.03886	0.5
129.05469	4.0
137.02357	2.2
137.05986	0.5
145.04967	0.4
147.04344	0.4
147.06490	1.0
151.03906	0.5
153.01857	0.6
163.03876	0.5
167.03386	3.3
170.51039	0.4
173.07626	0.3
179.03392	2.3
187.07474	0.4
197.04391	0.8
197.05978	0.5
205.04716	0.4
215.07019	0.9
243.06535	3.4
262.59579	0.3
271.05963	2.5
287.05615	0.7
288.06204	0.7
299.05469	1.1
301.06909	0.5
302.04160	0.3
303.04974	1.3
315.04865	0.5
316.05444	0.5
317.06531	100.0
318.06940	1.6
341.06711	0.3
354.24149	0.4
463.12579	0.6
479.11856	19.7
625.22516	1.1
625.32599	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03414	1.8
69.03423	0.5
69.37325	3.2
69.37734	1.0
71.04991	12.0
73.02902	1.5
73.92599	0.4
76.97856	0.4
83.04986	0.5
85.02900	14.9
99.04464	0.8
111.00767	0.8
121.02893	1.0
129.05476	2.8
137.02322	2.2
153.01825	2.9
165.01846	1.9
173.05872	0.6
183.02853	1.0
201.05405	1.3
205.04825	0.6
221.35347	0.5
229.04929	3.5
247.05988	0.8
257.04431	2.3
258.17642	0.4
274.04794	0.8
285.03931	1.1
303.04971	100.0
304.05270	2.0
315.04840	0.6
317.06393	0.6
345.05939	1.1
447.09088	1.3
449.10699	1.3
479.11813	10.8
625.22021	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1755
Annotation	Isorhamnetin 3-galactoside-7-rhamnoside
Peak:m/z	Relative Intensity
57.03436	2.0
59.04980	0.3
66.39246	0.3
68.99804	0.3
69.03416	0.5
71.04990	14.1
71.05405	1.0
73.02905	0.6
85.02898	15.6
85.04890	0.3
87.04464	0.7
90.29050	0.3
95.04967	0.4
99.04440	0.3
100.11256	0.4
103.97337	0.3
111.00806	0.8
111.04433	0.5
121.02854	0.8
127.03944	0.4
129.05482	3.5
132.43498	0.3
137.02341	3.0
137.06013	0.3
147.06479	0.5
149.02396	0.4
151.60883	0.3
153.01817	2.7
163.03880	0.4
165.01842	1.7
173.06033	0.5
183.02931	0.6
201.05453	1.0
229.04951	3.6
247.06082	0.6
257.04462	2.9
274.04520	0.6
275.05453	0.3
285.03867	1.3
301.06949	0.7
303.04971	100.0
304.05432	1.5
315.05066	0.7
317.06345	0.4
345.05896	1.0
395.07666	0.5
447.09235	0.5
449.10510	2.4
461.10962	0.4
479.11819	13.4
480.12009	0.5
574.23535	0.4
625.22052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.8
63.28465	0.4
65.03928	0.4
67.05485	0.4
68.99789	0.4
70.05054	1.2
70.05475	0.7
71.04991	12.0
73.02911	0.7
75.04456	0.5
81.03368	0.5
83.04977	0.6
85.02905	15.6
85.03425	0.7
86.09691	0.8
90.76750	0.3
91.05410	0.4
97.87910	0.3
111.00813	0.8
121.02843	1.0
129.05504	3.3
137.02356	2.6
147.04404	0.5
147.06433	0.4
153.01820	4.4
153.35429	0.4
163.03877	0.7
165.01848	1.7
167.07083	0.4
167.22546	0.4
173.05812	0.4
177.05403	0.5
177.12657	0.4
183.02910	0.6
201.05484	1.6
205.04730	1.3
219.06456	0.5
229.04936	3.6
247.06001	0.5
257.04404	2.6
274.04712	0.9
285.03915	1.3
287.05548	0.7
301.07120	0.9
303.04974	100.0
304.05264	1.7
315.05136	0.6
317.06863	0.5
345.05957	1.1
361.02454	0.7
375.99698	0.4
383.02893	0.4
413.08636	0.6
431.09354	0.4
447.09177	1.1
449.10974	2.1
479.11868	10.0
480.12122	0.4
625.22034	1.5
626.01154	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85141	2.2
51.02375	2.9
53.03941	6.2
55.01859	7.9
55.05508	29.3
57.03180	3.1
57.03436	32.7
57.07058	7.6
65.03931	5.5
67.05502	95.9
67.05863	4.5
69.07052	20.2
71.04979	5.0
71.08617	3.0
72.08139	8.7
77.03972	2.9
79.05486	73.5
81.03415	5.9
81.06576	3.9
81.07055	66.4
83.04974	30.1
83.08598	7.1
85.06535	3.0
91.05481	62.7
93.07036	75.7
95.04954	18.4
95.08601	55.8
97.06518	11.4
97.10155	4.8
99.04444	4.6
103.05445	3.5
105.04501	2.8
105.07022	44.9
107.04953	47.5
107.08585	37.0
108.05717	2.6
109.06523	20.5
109.10163	17.8
110.05431	2.4
110.82356	2.7
111.04441	20.1
113.06013	3.5
117.07020	27.0
117.39198	2.5
119.08578	28.6
121.06490	9.2
121.10152	26.7
123.04417	3.6
123.08065	4.2
128.06244	4.6
129.06978	11.0
131.08560	28.5
133.06476	11.4
133.10117	22.4
135.08014	13.1
135.11687	13.4
137.09583	3.4
141.07014	7.4
142.07695	2.7
143.08524	13.2
145.06491	8.2
145.10072	18.7
147.08015	6.9
147.11665	9.6
149.09602	7.7
149.13246	6.2
151.07597	3.3
153.09177	2.8
155.08551	9.7
157.10075	8.2
159.08075	13.9
159.11696	11.8
161.09610	8.9
161.13252	8.6
163.07541	6.5
163.11137	6.6
167.08617	3.3
169.10091	9.1
170.05762	3.5
171.08069	3.3
171.11656	8.9
173.09601	11.0
173.13240	4.4
175.11180	4.1
177.09109	4.0
177.12740	9.1
178.13576	3.1
179.14342	4.3
187.11195	5.6
187.14854	8.8
189.12764	5.8
197.13240	6.7
199.11287	3.6
205.15919	14.0
207.11563	2.5
209.13219	3.2
215.14307	25.5
217.12190	3.0
225.16492	4.2
229.84390	3.0
233.15376	27.8
235.14735	3.7
243.17418	12.0
253.15849	6.3
261.18478	16.8
271.16895	28.9
275.20068	11.5
283.33566	2.9
289.17941	71.8
307.19196	3.0
335.25766	8.5
345.20718	3.2
350.26816	2.8
363.21457	8.1
420.23135	4.3
433.20319	5.5
448.39258	2.8
454.36118	8.6
504.09180	3.5
563.26654	18.2
605.41803	5.4
623.28235	36.5
623.42767	100.0
624.28827	5.5
624.42456	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
55.01862	10.4
55.05503	23.5
57.03430	19.5
57.07063	2.7
65.03939	7.8
67.05498	91.4
69.03420	8.9
69.07061	22.3
71.04982	6.2
71.60094	1.8
77.03927	1.7
79.05487	69.4
81.03414	20.6
81.07050	65.0
81.07426	0.9
83.04985	12.4
83.08614	12.1
85.02908	4.3
85.06554	11.3
91.05474	77.6
93.07040	60.8
95.01349	2.2
95.04963	64.2
95.08600	42.4
97.02911	4.6
97.06532	14.1
97.10178	5.0
99.04432	2.1
99.08092	4.3
103.05496	3.4
105.07024	61.8
107.04945	15.9
107.08583	32.8
109.02898	3.9
109.06507	42.7
109.10155	15.2
111.04481	1.9
111.08089	3.6
113.06004	21.2
113.71385	1.5
115.05454	6.8
117.07007	29.4
119.04915	1.5
119.08576	40.7
121.06470	10.1
121.10140	15.8
123.08049	8.5
125.09648	4.5
127.03921	2.9
128.06223	5.8
129.07005	19.9
130.07837	2.5
131.08556	42.8
133.06517	5.8
133.10112	26.3
135.08058	18.0
135.11676	21.8
137.09636	2.2
141.07030	9.3
142.07800	4.2
143.08553	22.2
144.09283	1.6
145.06487	4.9
145.08923	1.6
145.10094	30.7
147.04424	2.4
147.08073	6.8
147.11673	17.1
149.09602	7.2
149.13327	3.7
154.07738	2.1
155.08566	9.2
157.10138	19.0
159.08052	5.3
159.11687	19.3
161.09636	7.9
161.13260	9.6
163.11183	8.2
165.09171	1.8
167.08559	4.8
167.53709	1.9
169.10100	12.1
171.08099	3.2
171.11649	16.7
173.09680	3.5
173.13242	10.5
175.11215	3.4
175.14777	2.5
177.12778	5.2
179.08607	2.7
179.14330	2.6
181.10167	6.3
183.11673	8.5
185.09669	2.4
185.13211	9.7
187.11215	6.7
187.14886	3.7
189.12790	3.5
192.89441	1.7
193.10191	4.8
193.12207	2.9
195.11726	6.3
195.13708	2.7
197.09599	2.3
197.13297	6.4
199.11128	3.2
199.14908	6.1
201.12805	3.8
201.16396	2.7
205.10170	2.0
207.11743	4.2
207.13843	4.9
209.13303	3.3
211.13145	2.4
211.14876	3.9
213.12682	1.8
213.16464	3.0
215.14360	2.3
215.18059	1.6
217.16029	6.6
221.13271	2.6
223.14818	4.2
225.12790	2.5
227.17952	2.8
229.19516	3.0
233.15416	1.7
235.14827	3.5
237.16374	4.1
239.18097	3.3
241.19527	4.8
249.16457	2.1
251.18234	1.8
255.15846	2.7
257.19116	4.7
259.20627	6.0
273.18500	23.0
274.18738	1.8
275.20151	12.8
279.15869	7.6
281.17603	6.1
287.16556	2.1
291.19537	28.4
297.22119	1.7
315.23325	2.6
327.26767	5.6
333.24265	5.3
347.21951	7.2
349.24353	1.7
443.28131	2.0
461.28940	15.6
513.37402	5.1
527.37970	1.8
531.38507	7.5
545.21906	2.2
549.39203	5.1
551.37537	2.1
565.38770	2.8
567.40320	4.0
595.44067	2.1
605.24084	5.6
605.33246	3.1
605.41815	19.6
623.25171	7.5
623.35101	4.0
623.43079	100.0
624.43042	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.7
53.03937	11.2
55.01867	10.0
55.05508	26.3
57.03435	13.9
57.07053	2.5
58.71658	1.3
59.04982	2.6
60.48124	1.5
61.02909	2.5
65.03941	3.2
67.05499	65.1
69.03422	25.9
69.07063	17.2
69.51497	8.1
71.01337	2.6
71.04984	11.6
73.02909	1.8
77.03923	1.7
79.05484	50.8
81.03410	100.0
81.07049	79.8
83.04971	19.4
83.08139	2.0
83.08619	26.0
85.02899	25.9
85.06541	5.8
87.04488	1.5
91.05473	53.6
91.10084	1.5
93.07034	56.3
95.04964	34.4
95.08600	26.7
97.02879	20.7
97.06512	11.5
97.10169	7.6
99.04471	6.9
99.08092	2.3
103.03967	1.4
105.07023	38.4
107.04940	13.7
107.08579	31.9
109.02877	16.3
109.06525	8.9
109.10127	8.7
111.04435	14.4
111.08064	11.8
113.05984	4.8
115.05415	2.8
117.07008	14.3
119.04919	1.8
119.08565	27.1
121.06499	7.7
121.10124	20.9
123.04404	3.0
123.08058	4.3
123.11673	7.5
125.05966	1.8
125.09651	4.0
127.03913	12.5
127.07596	2.6
129.05492	2.8
129.06978	14.2
131.04929	4.0
131.08556	21.7
133.06483	6.7
133.10100	16.4
135.08031	4.2
135.11702	9.2
137.09628	2.4
141.06985	2.9
143.08571	5.0
145.06488	4.7
145.10106	9.5
147.04434	2.0
147.08073	5.5
147.11674	22.5
149.05896	2.0
149.09648	5.0
149.13223	14.0
151.11192	3.7
155.08554	3.2
157.06485	2.1
157.10107	12.2
159.08119	2.9
159.11676	11.2
161.06003	2.0
161.09592	2.1
163.11154	7.5
165.05460	1.4
165.12726	9.7
169.10095	2.6
171.08029	2.1
171.11703	4.7
173.04515	3.4
173.06001	2.2
173.09615	1.8
175.11188	12.0
177.12767	5.3
181.10147	1.5
181.12224	3.1
183.06529	2.9
183.11723	2.8
183.13873	1.8
185.13339	2.0
189.11224	2.4
191.10632	3.4
193.12218	31.6
193.13835	2.2
195.12041	2.1
195.13829	10.2
197.13298	1.6
202.40926	1.6
211.13261	50.2
211.15184	2.7
213.14888	3.0
219.13846	1.6
224.95235	1.4
227.12813	5.8
229.14259	3.6
233.15239	1.9
243.13992	1.7
249.14801	3.8
257.15460	2.8
261.14941	1.8
267.15854	14.3
269.17429	11.4
273.14642	2.1
275.16403	1.8
275.20187	3.4
283.15311	1.8
285.17236	7.1
303.15863	2.0
309.17038	2.9
321.16879	4.1
337.16443	2.2
339.18069	10.9
351.23206	1.9
355.17548	4.4
369.24344	2.1
377.19806	3.6
387.25491	2.4
393.19165	2.4
395.20563	9.3
411.20291	3.3
413.21353	2.0
443.28027	5.7
461.28973	18.1
477.27539	1.6
479.29959	15.3
503.30292	1.6
545.31116	2.4
587.32001	3.0
605.32965	7.5
623.34186	76.8
623.42664	3.7
624.34540	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	623.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01864	4.5
55.05304	1.3
55.05511	16.0
57.03440	8.4
61.02927	20.9
67.05503	36.1
69.03426	7.0
69.07063	12.5
70.65635	5.4
71.04985	4.7
72.41512	1.8
73.02908	10.4
79.05053	3.0
79.05489	37.5
81.03416	14.0
81.07058	39.8
83.04967	5.4
83.08619	12.9
85.02897	20.4
85.06532	4.7
89.91502	1.8
91.03954	10.3
91.05476	41.9
93.07049	33.2
95.04976	8.9
95.08602	21.3
96.46930	1.7
97.02889	15.5
97.06522	5.2
97.10159	4.8
103.05500	2.8
105.07034	33.3
107.04959	6.2
107.08591	13.6
109.02865	2.5
109.06517	7.2
109.10148	9.9
111.04440	2.1
111.08074	5.2
115.05440	2.8
117.07011	25.8
119.04955	2.2
119.08566	16.0
121.06497	6.2
121.10139	10.8
123.11713	1.9
125.09615	2.5
127.03915	3.4
128.06187	6.5
129.06996	30.7
131.08562	40.6
133.06471	5.2
133.10112	12.5
135.08034	4.9
135.11732	5.5
137.09605	2.5
141.07007	13.6
142.07773	4.7
143.08548	23.0
145.05096	1.5
145.06479	8.3
145.10106	16.8
147.08005	5.1
147.11682	6.9
149.09610	5.4
149.13278	3.7
153.07007	2.3
155.08539	23.0
157.06476	3.0
157.10115	11.3
159.08090	6.1
159.11626	9.5
161.09668	3.8
161.13301	1.9
163.11124	3.6
167.08595	8.8
169.10100	15.0
171.08107	3.6
171.11691	9.9
173.09662	3.6
173.13245	3.2
175.11160	4.4
177.12799	3.2
179.08542	4.0
181.10117	10.9
183.11697	7.6
185.13249	6.8
187.11243	3.4
187.14845	3.7
189.12733	2.2
193.10170	5.7
193.12115	3.1
195.11671	9.9
195.13640	2.4
197.13257	6.7
199.11122	2.4
199.14789	4.2
207.11797	4.3
208.12518	2.1
209.13234	5.9
211.13087	2.3
211.14818	5.8
213.12798	2.2
215.14302	6.2
217.15849	1.9
221.13222	7.9
223.14806	5.2
225.12744	2.1
225.16289	2.8
233.13147	1.9
235.14819	4.7
239.14287	6.3
241.15970	2.1
243.13641	2.1
253.15877	4.4
257.15256	4.2
259.17160	1.9
267.15909	2.2
271.16925	4.2
275.16718	1.7
323.23615	8.0
333.22131	12.2
341.24786	9.3
351.19162	3.6
351.23160	43.3
369.24252	37.2
387.25314	19.5
407.25882	2.0
416.50366	2.0
425.26895	8.2
434.44730	1.9
443.27942	100.0
444.27997	2.8
461.28967	64.0
462.29245	3.4
479.29800	2.6
605.32635	3.4
623.34320	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	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.4
53.03946	10.1
53.56345	1.4
55.01876	9.0
55.05511	28.7
57.03440	12.8
57.07060	1.7
61.02917	3.7
65.03944	4.0
67.05499	64.2
69.03429	26.2
69.06715	2.4
69.07066	19.9
69.34559	2.6
69.34965	14.4
71.01351	2.8
71.04994	8.5
73.02900	2.3
77.38612	1.5
79.05489	50.8
79.14445	1.6
81.03416	100.0
81.07056	85.9
83.04983	26.8
83.08614	25.8
85.02901	22.8
85.06544	6.4
91.03929	1.7
91.05474	44.6
93.07043	56.2
95.04961	33.3
95.08595	21.3
97.02889	18.2
97.06532	11.4
97.10172	9.5
99.04441	7.6
99.08089	3.8
105.07030	31.0
105.07683	3.0
107.04949	8.7
107.08591	34.4
109.02886	18.9
109.06509	7.8
109.10155	8.7
111.04443	13.2
111.08082	12.9
115.05463	3.3
117.07027	12.4
119.08572	22.4
121.06525	9.3
121.10141	19.4
123.04388	2.6
123.08095	4.0
123.11695	6.0
125.09618	4.7
127.03902	12.5
127.07502	2.3
128.06207	2.0
129.05460	3.3
129.07001	11.3
131.04964	2.5
131.08577	20.2
133.06494	6.4
133.10127	16.7
135.08096	2.5
135.11711	9.6
141.06987	2.1
142.07860	1.9
143.08536	4.3
145.06470	4.8
145.10112	7.3
147.08043	3.7
147.11681	17.2
149.06058	1.8
149.09616	6.3
149.13239	16.1
153.12730	2.4
155.08615	3.7
157.10152	11.6
159.11700	10.3
161.09605	2.6
161.13264	1.6
163.11205	6.2
165.07004	2.3
165.12779	5.1
167.08554	1.8
173.09590	3.0
173.13248	2.1
175.11194	9.6
177.12766	4.7
181.12230	4.1
185.09564	2.0
191.10681	4.5
193.10434	2.3
193.12241	30.3
195.11685	2.1
195.13788	9.9
199.14737	1.5
207.13647	2.0
211.13289	57.4
211.15253	2.9
213.14828	3.1
217.15883	2.2
222.19006	1.6
227.12778	8.8
238.04050	1.7
245.15512	1.8
249.14935	1.7
251.16383	1.6
261.14966	1.9
267.15903	10.7
269.17566	10.3
273.15018	3.3
283.15399	2.7
285.17108	3.9
301.14322	3.4
303.16122	1.8
309.17151	2.8
319.15237	1.8
321.17117	2.1
337.16403	3.5
339.18021	6.1
351.23260	3.1
355.17673	10.4
369.24191	6.0
377.19876	2.7
387.25406	2.7
395.20465	4.0
411.20178	7.1
435.27142	2.1
443.27982	10.4
461.28967	34.8
479.30069	15.4
485.29092	2.5
503.29785	1.9
551.29688	2.1
587.32556	3.8
605.32764	8.4
623.34161	97.5
624.34802	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68583	1.8
53.03941	8.4
55.01872	6.3
55.05508	33.4
57.03434	13.2
57.07080	2.0
58.43720	1.9
61.02925	3.5
62.42181	1.9
65.03939	3.3
67.05502	61.2
69.03430	24.6
69.07062	16.2
71.01380	2.6
71.04987	10.4
71.21422	4.1
73.02908	3.1
79.05487	52.6
79.36488	2.0
81.03414	100.0
81.07052	69.0
83.04980	23.0
83.08617	27.3
85.02895	23.8
85.06541	4.9
87.04450	2.2
88.38837	1.8
91.03938	2.0
91.05473	52.9
93.07034	52.6
95.04964	34.9
95.08609	24.2
96.65051	1.8
97.02885	18.5
97.06522	12.2
97.10162	7.5
99.04456	5.9
99.08097	2.9
103.05466	2.5
105.07029	36.2
107.04959	11.6
107.08590	27.9
109.02888	19.6
109.06523	7.4
109.10178	8.4
111.04420	13.5
111.08080	11.1
115.05419	3.4
117.07005	18.6
119.04973	3.2
119.08572	24.5
121.06477	8.7
121.10136	17.8
123.04423	4.7
123.08092	4.4
123.11723	3.0
125.09619	4.3
127.03924	7.9
129.05484	2.8
129.06979	17.0
131.08545	23.8
133.06532	4.2
133.10132	14.6
135.08054	6.6
135.11699	5.9
137.05957	19.1
137.09650	2.4
138.06335	2.0
141.07008	3.0
142.07780	2.3
143.08572	7.0
145.06540	7.5
145.10118	7.2
147.08070	7.5
147.11685	20.8
149.09686	9.1
149.13235	13.8
155.08588	5.1
157.10101	13.4
159.08112	4.5
159.11646	9.0
161.05945	1.8
161.09586	2.5
163.11177	5.1
165.12770	2.3
169.10124	3.6
171.11713	2.9
173.04507	4.2
173.09601	3.0
173.13260	2.8
175.11322	10.0
175.12546	2.0
177.12798	5.7
181.10213	2.9
181.12231	4.2
183.11729	3.5
185.09743	2.4
189.11244	2.7
191.10674	2.3
193.12244	29.6
195.13792	9.5
199.14851	2.9
211.13269	43.1
213.14844	2.7
219.13811	3.5
227.12834	8.5
229.14380	2.5
235.13257	3.5
235.17137	3.2
249.14769	3.1
257.15341	2.4
261.14978	2.9
267.15982	13.2
269.17584	9.0
270.11377	2.0
273.14914	2.3
285.10037	4.9
285.17215	5.9
301.14505	2.8
303.15808	2.6
304.43936	1.8
309.16812	2.3
339.18146	8.4
346.18823	3.4
347.18826	1.9
351.22971	2.8
355.17590	5.7
369.24146	7.3
377.19788	3.1
387.25537	4.6
391.14105	2.2
395.20599	6.9
411.20111	3.3
433.29791	2.4
435.27661	2.2
443.27805	11.6
461.28970	40.1
467.98444	2.1
479.29950	15.1
503.30112	2.8
527.29688	2.7
569.31348	2.8
587.32025	4.5
605.33136	11.8
623.34167	75.0
623.42889	4.2
624.34760	2.6
635.59613	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	623.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.5
55.01862	8.7
55.05507	31.4
56.35740	1.8
57.03435	11.4
61.02911	4.0
65.03951	2.4
67.05497	57.2
67.86967	1.9
69.03423	26.3
69.07058	15.8
71.04993	9.8
71.38661	1.8
73.02910	2.3
77.03921	2.8
79.05051	4.0
79.05487	51.8
80.19408	2.0
81.03410	100.0
81.07052	76.6
83.04974	23.7
83.08609	23.0
85.02901	20.4
85.06551	5.8
90.20752	1.9
91.03975	2.6
91.05472	45.8
93.07036	48.4
95.04961	30.9
95.08595	24.8
96.92636	2.1
97.02888	18.1
97.06537	13.4
97.10171	8.4
98.20773	3.5
99.04445	4.9
99.08096	4.0
103.03931	1.9
105.04527	2.0
105.07020	34.9
105.07675	3.2
107.04924	12.8
107.08589	29.5
109.02851	19.5
109.06535	8.8
109.10159	6.7
111.04411	14.4
111.08028	9.7
117.07034	14.3
119.08575	24.8
121.02883	2.0
121.06503	9.5
121.10124	19.3
122.78831	2.0
123.04457	4.5
123.08083	4.9
123.11729	5.7
125.09634	7.9
125.10459	2.0
127.03903	14.4
128.66911	1.9
129.05475	3.1
129.07019	12.4
131.04903	2.7
131.08556	22.8
131.12921	1.8
133.06490	4.9
133.10126	17.9
135.08064	5.9
135.11707	6.6
137.06044	2.7
137.09639	3.0
141.06964	3.7
143.08588	7.9
145.06482	7.3
145.10118	7.8
147.04417	2.7
147.08078	7.1
147.11670	19.0
149.09572	4.9
149.13252	11.1
153.09154	2.0
153.12723	2.8
155.08592	4.5
157.06509	2.2
157.10110	13.4
159.07968	3.3
159.11674	11.1
163.11147	2.9
165.12785	7.6
169.10178	3.1
171.11717	4.2
173.04506	3.2
175.11168	12.7
177.12726	6.0
181.12279	4.7
189.11287	2.9
191.10596	3.6
193.10576	4.3
193.12233	35.7
195.13808	10.8
205.12218	2.3
211.13263	47.2
211.15222	2.7
213.14766	2.6
215.14365	2.5
217.15723	3.3
227.12813	8.3
229.14406	3.8
235.13326	2.4
237.14778	2.4
242.49551	2.0
249.14941	3.2
267.15857	12.6
267.65948	2.1
269.17493	13.9
273.14963	3.4
283.15530	2.2
285.17114	5.8
290.79697	1.9
301.14459	3.6
303.15955	2.4
309.17105	3.6
337.16510	2.8
339.18127	6.8
355.17599	5.4
369.24197	4.1
387.25330	5.9
395.20700	6.0
411.20090	4.7
413.21817	3.6
417.26718	3.1
435.27194	4.5
443.28018	9.5
461.28891	41.2
473.29059	2.3
479.30164	16.0
503.30127	5.8
545.30444	2.7
569.31183	3.2
587.32404	5.2
605.33478	8.6
623.34216	70.8
624.34552	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.05507	1.0
67.05507	2.2
69.07062	0.8
69.43161	2.7
69.43574	0.8
72.25649	0.4
76.19827	0.4
79.05484	1.8
81.03418	0.5
81.07055	1.6
83.04982	0.8
83.08606	0.6
91.05489	1.4
93.07040	1.2
95.04960	0.6
95.08601	1.4
97.06510	0.5
105.07050	1.2
106.06570	0.5
107.08589	0.6
109.10156	0.5
117.07027	0.5
119.08585	1.0
121.10142	0.5
126.92280	0.5
131.08607	0.9
133.10103	0.8
135.08086	0.5
143.08572	0.5
145.10118	1.0
159.11691	0.7
166.71274	0.4
173.09570	0.4
182.75784	0.4
193.12242	1.7
225.10443	0.5
225.14064	0.3
225.16357	0.4
249.10197	0.7
271.17047	0.6
275.20193	0.8
289.18088	1.4
328.14294	0.5
376.17264	0.6
377.17673	0.5
378.18405	0.5
389.17773	0.8
390.18469	0.6
391.19473	2.3
393.20520	0.5
401.17896	0.4
402.18561	0.7
403.19272	1.1
404.15778	0.8
404.20389	0.9
405.16205	0.6
405.21216	2.3
406.21594	1.2
407.22263	0.8
417.16968	1.1
417.21579	0.7
418.17831	1.2
419.18408	1.5
419.22470	1.9
420.19089	0.7
421.24069	2.1
429.17102	0.8
431.17905	1.8
432.19623	1.2
433.19888	3.2
434.21057	1.0
435.21808	1.4
442.61639	0.4
443.18826	1.1
444.19614	0.7
445.20135	2.7
446.21088	1.3
447.17075	1.0
447.22852	3.5
448.22858	1.8
449.23431	5.0
457.20233	0.7
458.21017	1.1
459.22202	2.2
460.22827	0.6
461.19217	2.8
462.20743	1.1
463.20901	1.9
475.21661	1.6
476.21896	5.0
477.23019	4.4
489.23349	1.9
490.23422	0.6
493.21790	0.5
503.24222	1.3
505.21671	0.5
520.25024	0.5
521.21667	1.0
533.25452	3.8
535.27509	2.6
545.25555	1.2
563.26477	16.6
564.26849	0.9
591.26398	0.9
593.27014	0.7
595.29352	1.0
605.27692	2.4
623.28583	100.0
624.28741	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01861	1.1
55.05506	3.5
57.03436	3.8
57.07070	0.7
65.03925	0.8
67.05502	9.0
69.03424	0.6
69.07069	2.9
69.29343	2.8
69.29771	2.4
71.08627	0.8
73.47786	0.4
79.05486	9.0
80.11967	0.5
81.07052	8.5
83.04979	4.9
83.08608	1.5
85.06524	0.8
91.05471	7.8
93.07035	9.0
95.04960	2.0
95.08585	4.5
97.06537	0.5
97.10129	0.9
103.05475	0.7
105.07001	4.4
107.04943	5.4
107.08591	3.9
109.06525	2.2
109.10162	2.0
111.04443	1.9
113.06020	0.7
115.05481	0.5
117.06986	2.4
119.08553	3.6
121.06499	1.2
121.10143	2.7
123.08181	0.7
129.07016	1.1
130.07771	0.6
131.08554	3.2
133.06487	0.9
133.10139	2.3
135.08049	1.5
135.11755	1.1
143.08572	1.2
145.06456	1.0
145.10075	2.3
147.08047	0.9
147.11671	0.7
155.08548	1.2
157.10141	0.8
159.08052	1.1
159.11671	1.2
161.09673	0.9
161.13304	1.0
169.10040	0.7
171.11691	0.9
173.09509	0.7
175.11295	0.5
177.12714	0.7
187.14809	0.8
197.13293	0.8
205.15874	1.0
215.14288	1.1
233.15390	3.1
243.17500	1.4
261.18570	2.0
261.21967	0.6
271.16949	2.1
289.17950	8.7
307.19107	0.7
318.76373	0.5
376.17191	0.7
389.17838	0.9
391.18976	0.9
400.17361	0.6
401.17896	0.9
402.18524	0.7
403.19159	0.9
404.20398	1.4
405.20743	1.0
413.17932	1.4
414.18478	1.6
415.19205	2.6
416.20233	1.3
417.16748	1.0
418.17334	1.4
419.17661	0.8
419.22162	1.6
420.19257	0.6
421.22964	0.9
428.20285	1.2
429.20886	7.4
430.21524	1.0
431.18204	1.2
431.23215	0.8
432.19501	0.9
433.19406	1.5
433.24042	2.0
434.20889	1.1
442.21176	0.7
443.22644	4.1
444.23758	2.7
445.19684	1.2
445.24747	0.8
446.21167	0.6
447.22269	3.0
448.22076	1.0
449.23044	2.3
456.19461	0.7
457.19312	1.1
457.24149	1.9
458.24942	3.4
459.21652	4.3
460.22748	3.1
461.19052	1.8
461.23575	2.4
462.20605	2.3
463.20853	0.8
470.20901	1.2
471.21848	1.8
472.22672	4.7
473.23886	2.3
474.19977	1.0
475.21149	2.6
476.21719	3.6
477.22766	3.6
485.23370	6.4
486.23996	1.2
487.25436	3.9
489.22809	2.0
503.24323	2.8
513.22937	0.6
516.21216	0.9
517.26062	5.7
519.23889	1.5
520.24591	1.1
521.21820	1.2
531.23822	5.4
535.25922	1.7
545.25439	52.2
546.25989	2.0
562.25104	0.8
563.26074	18.8
564.26257	0.8
591.25812	1.1
594.25018	0.6
605.27350	4.1
623.28491	100.0
623.42914	8.7
624.28833	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	623.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.6
55.66735	0.3
57.03445	0.4
57.07060	0.3
65.03941	0.3
67.05495	1.9
69.07059	0.6
69.92050	0.5
69.92411	1.6
79.05494	1.5
81.07027	1.9
83.04970	0.6
83.08604	0.4
85.10240	0.3
91.05477	1.2
93.07031	0.8
95.04968	0.6
95.08601	0.9
97.06533	0.4
99.58334	0.3
105.07005	0.9
106.06542	0.6
107.04969	0.4
107.08593	0.8
109.06528	0.3
109.10152	0.5
117.07013	0.7
119.08585	0.6
120.08126	0.3
121.10201	0.3
123.08088	0.3
131.08578	0.7
133.10091	0.5
135.08148	0.3
135.11700	0.4
143.08548	0.5
145.10085	0.4
147.11664	0.4
157.10104	0.4
159.11697	0.3
167.07448	0.3
193.12216	0.4
209.10657	0.4
211.08569	0.3
223.12350	0.4
225.10239	0.4
225.13777	0.3
249.10292	0.5
251.11896	0.4
254.14160	0.3
271.84720	0.3
275.19958	0.6
289.18088	0.6
300.11584	0.3
309.12439	0.4
314.12976	0.4
338.12943	0.5
340.14401	0.4
375.16165	0.5
376.16861	0.3
377.17590	0.7
389.17770	0.8
390.18692	0.6
391.19501	1.7
392.20184	0.5
393.20718	0.7
402.18427	0.6
403.14960	0.7
403.19333	0.8
404.20087	1.0
405.16837	0.9
405.21646	1.5
406.21420	0.9
407.22284	1.0
417.17102	1.4
417.21295	0.8
418.17783	1.1
418.22394	0.5
419.18555	2.6
419.22659	1.9
420.19208	0.6
421.24176	1.9
429.16928	0.9
430.17902	0.5
431.17737	1.3
431.23285	0.5
432.19388	1.0
433.19934	2.8
434.20667	1.5
435.21826	1.3
443.18753	1.1
445.20224	3.1
446.21060	1.0
447.22629	3.7
448.23001	1.7
449.23462	4.5
450.24112	0.5
454.36227	0.5
457.20291	0.8
458.21008	1.3
459.21869	2.0
460.22617	0.5
461.18665	1.6
462.20621	1.2
463.21008	1.8
465.22791	0.7
468.37506	0.4
471.21594	0.3
475.20959	1.4
476.21872	4.4
477.22900	4.1
478.23163	0.4
479.20456	0.3
489.23044	2.2
490.23373	0.6
503.24460	1.0
505.21594	0.6
508.24707	0.5
518.72552	0.3
519.23761	0.3
520.24384	0.4
521.21844	0.7
531.23987	0.6
533.25543	3.2
535.27411	3.0
545.25012	1.0
563.26495	15.0
564.26312	0.6
577.23523	0.3
591.25830	0.9
593.27521	0.6
595.28918	0.5
605.27557	2.4
606.27655	0.6
623.28583	100.0
624.28564	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
54.39180	0.5
55.01849	0.5
55.05519	3.2
60.70384	0.5
67.05502	4.6
69.07068	1.5
69.82776	0.5
77.67618	0.5
79.05479	4.2
81.03415	1.1
81.07049	5.6
83.04965	0.5
83.08618	1.6
89.52158	0.6
91.05490	3.7
93.07056	3.3
95.04967	2.0
95.08599	2.5
97.06574	0.8
98.20685	0.8
105.07034	3.5
107.08595	2.5
109.06526	2.5
109.10185	1.1
117.07047	1.5
119.08601	2.2
119.48164	0.5
120.59533	0.5
121.06520	0.6
121.10139	1.6
125.09678	0.5
128.06244	0.6
129.07007	1.1
131.08533	2.6
133.10115	1.7
135.08018	1.0
135.11732	0.6
141.07040	0.6
143.08569	0.8
145.06442	0.8
145.10146	1.6
147.08057	1.0
147.11716	1.1
157.10065	0.8
159.11697	1.4
161.09676	0.6
169.10162	0.9
171.11652	0.8
181.10176	0.6
183.11757	0.6
185.13225	0.5
209.13332	0.7
211.14790	0.8
218.90240	0.6
271.16925	0.6
273.18307	0.8
275.20160	0.6
287.68158	0.6
289.17993	0.8
291.19461	1.0
353.03860	0.6
375.16461	0.7
389.17599	3.8
390.18460	2.1
391.19305	2.8
401.17743	0.7
403.19598	2.9
404.20020	1.6
405.20767	9.7
406.21707	1.4
417.16403	6.0
417.21808	1.2
418.17349	3.3
419.18201	3.4
431.18311	6.8
432.19397	7.8
433.20032	9.0
445.20569	3.2
446.20999	1.7
449.23645	0.9
451.20816	0.7
459.21896	1.7
461.19443	3.2
462.20673	0.8
463.21152	2.1
473.19443	0.8
475.21198	2.6
476.21713	4.5
477.23560	4.9
489.22968	1.2
491.24582	1.1
503.24814	1.1
519.23871	22.8
520.24554	1.2
521.21790	1.1
535.26837	1.1
563.26508	14.7
579.26050	5.4
605.42010	1.4
623.28583	100.0
623.43103	5.3
624.29236	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51181	0.7
71.51515	1.1
72.57027	0.6
81.62524	0.7
95.58831	0.7
105.14623	0.6
180.01445	0.7
196.12689	0.8
230.72896	0.7
375.16739	1.0
377.17557	1.1
389.18567	0.8
390.18564	1.1
391.19196	3.0
392.19907	2.2
393.20578	1.4
399.15921	0.8
400.16895	1.4
402.19128	0.8
404.20532	0.9
405.20889	4.0
406.21423	3.9
407.22208	10.6
408.22031	0.7
413.17664	1.5
414.18353	2.4
415.19125	3.2
418.22052	1.1
419.18039	1.3
419.22845	1.2
420.23181	2.1
421.23831	12.3
422.24548	3.6
427.18866	1.5
428.19879	3.0
429.20798	9.4
430.21713	3.2
433.24457	1.2
434.24399	1.4
442.21939	1.6
443.22604	5.5
444.23349	5.3
445.20212	1.9
447.17783	1.9
449.23093	1.1
455.18759	0.9
456.19556	1.4
457.23770	4.5
458.25052	8.6
459.21756	9.1
460.22882	3.2
461.18744	3.5
462.20383	2.1
463.21198	0.8
470.21243	1.0
471.22134	1.0
472.22620	10.4
473.24139	3.0
474.20016	1.4
475.21036	6.7
476.21362	6.1
477.22433	4.7
485.23511	18.9
486.20078	2.8
486.24164	3.6
487.20667	1.1
487.25055	0.7
488.22144	2.6
489.22885	4.3
499.21262	5.5
500.21942	3.0
501.23215	0.8
502.23749	1.1
503.24454	10.0
504.24698	1.2
508.28455	1.1
513.22601	4.6
514.23450	2.3
515.24268	1.9
517.26208	13.2
518.23895	0.7
521.25458	1.8
529.26160	2.4
531.23206	1.2
535.27130	6.4
536.27502	1.0
545.25439	100.0
546.25952	5.2
562.25415	0.7
563.26477	2.1
564.26898	2.1
573.24957	22.4
591.25714	1.8
605.27545	84.1
606.28168	4.3
623.28595	81.6
624.28229	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
55.29328	0.8
57.03427	0.7
64.94559	0.7
67.05492	2.6
69.07061	1.5
79.05480	2.5
81.07053	2.5
88.74147	0.7
91.05473	1.8
91.36681	0.7
93.07043	1.6
95.04970	0.9
95.08585	1.6
105.07043	1.3
109.10165	0.9
119.08549	1.1
121.10121	0.9
131.08533	1.0
133.10168	1.2
144.72424	0.7
145.10126	1.0
182.03989	0.6
279.92007	0.6
289.18210	1.0
302.65567	0.7
370.42575	0.7
391.19443	1.3
402.18478	1.1
403.19153	1.7
404.19806	0.7
405.20798	1.2
406.21518	1.2
414.18829	0.8
417.16537	1.4
417.21402	1.6
419.22351	2.7
420.22995	1.4
429.21002	0.9
430.17654	1.1
431.18607	2.8
432.19046	1.0
433.19977	5.3
443.18671	2.0
444.19580	2.1
445.19858	5.8
446.21121	2.0
447.22028	4.6
448.22714	1.3
458.20947	6.1
459.21613	6.6
460.22504	3.6
461.19348	0.9
463.21677	1.3
472.22861	1.0
473.23471	1.0
475.21188	1.6
476.22006	2.6
477.23032	1.5
487.24460	0.9
491.24255	0.9
505.22699	1.1
517.22577	1.2
518.23334	4.2
521.22168	1.3
532.24652	0.9
533.25409	7.8
535.26807	0.8
536.23328	1.7
545.25378	3.1
546.26447	1.4
563.26544	4.9
576.56482	0.8
591.25800	1.6
605.27606	10.3
623.28571	100.0
624.29303	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2854
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
54.85086	0.4
55.05508	0.6
60.28710	0.3
65.85983	0.4
67.05488	0.4
71.31927	0.8
79.05489	0.7
79.76730	0.4
81.07051	0.7
90.02119	0.4
93.07041	0.9
94.94689	0.4
98.00175	0.4
133.82156	0.4
183.37923	0.4
192.81343	0.5
192.91307	0.5
261.53857	0.4
263.55878	0.5
389.18155	0.8
390.18491	1.0
391.19290	0.9
392.20514	0.5
404.16171	0.6
405.20950	2.8
415.19318	0.9
418.17569	0.5
419.18250	0.9
420.23248	0.8
421.23987	1.0
429.20944	1.7
430.21771	0.5
432.15582	0.5
433.19730	2.5
434.25156	0.5
435.22266	0.5
443.22192	1.3
444.23160	1.3
445.19690	0.5
445.24686	0.7
446.17120	0.7
447.17834	6.3
448.22931	2.6
449.23349	1.9
457.24652	0.5
458.25018	0.7
459.21826	1.8
460.22427	1.0
461.19342	6.8
462.20490	1.0
463.20996	1.0
472.22629	1.8
473.23502	0.9
475.21478	1.3
476.22015	18.4
477.22635	3.5
479.20792	0.9
485.23605	3.2
487.24844	1.8
488.22528	0.6
489.18817	0.6
500.22128	0.4
503.24860	2.7
513.22943	0.7
515.24243	1.2
517.25806	0.9
519.23584	2.3
521.25836	0.7
531.23718	4.6
545.25476	12.1
549.25092	1.7
559.23193	1.2
563.26520	7.6
564.26544	0.5
591.25909	6.7
605.27606	2.5
623.28601	100.0
624.29028	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	621.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01875	7.3
55.05509	10.5
55.67350	1.5
57.03434	18.7
57.07075	16.9
65.03930	2.9
67.05166	2.6
67.05504	35.4
69.07054	7.6
70.52169	1.1
71.04987	1.9
71.08626	13.4
79.05489	20.0
81.07056	31.9
81.58141	1.4
83.04978	3.6
83.08620	6.2
85.06539	9.9
85.10176	4.9
91.05483	20.2
91.06012	2.4
93.07037	18.6
95.04963	41.9
95.08598	13.8
97.06521	3.2
97.10176	4.0
105.07001	14.7
107.04946	7.2
107.08588	12.8
109.06512	47.9
109.10152	7.2
111.08092	1.8
113.06002	28.1
115.05517	2.1
117.07023	10.0
119.08560	11.0
120.53252	1.3
121.06519	4.1
121.10175	4.1
123.08085	3.6
128.73900	1.4
129.07034	6.3
131.08575	12.4
133.06531	2.9
133.10143	5.4
135.08049	41.3
135.11699	4.4
143.08562	7.9
145.10139	7.8
147.08070	5.8
147.11646	1.9
149.09648	4.6
149.13275	2.5
155.08571	1.7
157.10146	5.0
159.08160	1.6
159.11703	4.4
161.09598	7.3
163.11153	3.2
169.10159	1.3
171.11725	4.3
175.11211	2.7
195.11922	1.7
195.13754	1.4
199.14777	3.3
217.15804	11.0
219.13831	1.4
227.17989	1.7
245.19051	3.8
255.17577	2.3
273.18466	32.1
273.21194	2.3
291.19516	100.0
292.20007	2.6
313.27353	38.2
347.22229	5.0
365.23254	6.3
366.32254	1.7
389.17584	2.9
390.18335	2.0
391.19101	1.5
403.19357	3.7
405.20731	2.9
417.16959	4.1
419.22351	5.6
431.18701	4.9
432.19162	1.7
433.20102	1.9
445.20352	5.8
446.20786	7.0
447.21631	8.7
459.22513	2.6
474.20706	2.7
475.21072	9.9
476.21353	1.7
487.21368	3.3
533.25598	11.1
561.24963	19.1
562.25446	4.2
564.20404	1.3
585.45294	4.9
589.24854	2.0
593.27509	3.1
603.46063	27.7
621.27081	70.1
622.27600	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	621.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01876	4.5
55.05505	12.7
57.03431	19.4
57.07090	2.0
65.03925	1.9
67.05500	40.6
71.04995	3.8
71.59963	2.2
74.71529	1.3
74.88091	1.5
75.55375	1.4
79.05489	27.4
81.03423	5.8
81.07050	29.3
83.04978	15.4
83.08610	6.6
85.06559	2.6
91.05473	35.8
91.05999	2.3
93.07038	26.4
93.26306	1.2
95.01329	1.5
95.04965	12.2
95.08606	24.6
95.09174	2.5
97.06542	3.4
97.10179	2.6
99.04443	1.9
103.05494	2.4
105.07028	31.4
107.04958	18.3
107.08597	14.6
109.02828	1.3
109.06508	9.0
109.10137	7.3
111.04424	9.1
111.08080	1.6
113.06016	2.1
115.05499	2.0
117.07004	18.1
119.08569	22.1
121.06527	4.6
121.10134	8.5
123.08092	4.2
125.05988	2.0
125.09588	1.6
128.06252	3.6
129.06990	11.2
131.08566	19.3
133.06546	4.3
133.10138	14.8
135.08084	3.7
135.11713	7.5
141.07008	5.9
142.07788	2.3
143.08585	10.4
145.06490	5.8
145.10136	14.9
147.08064	5.1
147.11700	7.8
149.09674	3.8
149.13304	3.2
151.07663	1.6
154.07791	1.7
155.08521	7.4
157.06418	1.5
157.10104	9.4
159.08112	6.3
159.11684	10.0
161.09660	4.2
161.13333	2.1
163.11148	3.7
165.07010	2.7
166.07741	1.6
167.08598	5.3
169.10146	7.5
171.11679	7.6
173.09697	2.0
173.13306	3.9
175.11128	2.0
177.12816	5.4
179.08604	3.4
179.14211	1.8
181.10123	5.0
182.10771	1.6
183.08070	1.6
183.11667	7.7
183.37271	1.3
185.09573	1.6
185.13300	3.2
187.11200	2.9
187.14890	3.3
189.12692	1.7
191.08743	1.6
191.10568	1.3
193.10179	3.4
195.11743	6.4
195.13661	1.5
197.09666	2.8
197.13310	5.8
199.11147	2.6
199.14883	2.7
201.12692	1.4
205.10229	2.3
205.15950	2.6
207.11768	4.2
209.09698	1.4
209.13316	4.1
211.14781	3.4
213.12589	1.5
215.14389	2.0
215.63402	1.3
217.10162	2.0
219.11671	2.9
221.09836	1.3
221.13214	3.7
223.11247	3.6
233.13336	2.4
233.15462	5.4
235.11255	2.1
235.14861	2.0
237.12759	2.6
237.16350	1.6
239.17851	2.0
241.14452	4.2
243.17380	2.2
247.14948	2.2
249.16418	1.9
253.15900	3.5
259.20737	3.5
261.18585	5.0
271.16885	2.6
275.20261	2.4
289.17944	19.3
315.23306	3.1
327.23218	1.8
351.23389	2.4
365.24338	1.6
369.24451	2.3
491.35391	1.8
511.35733	2.3
529.36865	4.5
547.37891	5.4
565.38770	18.6
603.40356	5.0
621.41504	100.0
622.41956	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	621.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	13.9
55.01870	9.6
55.05262	2.2
55.05510	26.2
57.03432	16.0
59.07100	1.7
61.02914	3.2
65.03941	5.0
67.05500	41.9
69.03418	22.6
69.07066	11.1
69.29117	21.7
71.04982	9.4
79.05490	49.0
81.03414	100.0
81.07056	50.1
83.04991	19.7
83.08616	18.3
85.02907	20.7
85.06547	2.5
86.20087	2.1
91.04915	1.5
91.05475	50.7
93.07036	32.1
95.04967	55.3
95.08590	19.5
97.02894	20.8
97.06532	8.7
97.10193	12.7
99.04460	5.8
103.03882	2.2
103.05452	4.1
105.07030	27.2
107.04966	21.0
107.08590	19.0
109.02885	18.9
109.06515	11.2
109.10177	10.3
111.04446	13.3
111.08084	5.7
113.12920	2.2
115.05446	6.1
117.07017	14.6
119.04983	4.8
119.08572	19.9
121.06504	11.4
121.10146	13.0
123.04426	14.7
123.08092	8.4
123.11686	5.3
125.09641	10.3
126.81642	2.0
127.03909	9.5
128.06198	3.0
129.05530	3.7
129.06995	22.4
130.07782	3.1
131.04897	7.5
131.08589	19.2
133.06490	9.8
133.10109	11.2
135.04364	3.3
135.08052	7.1
135.11703	7.7
137.05962	5.1
137.09631	2.8
141.06982	6.1
142.07718	3.5
143.08557	7.6
145.06442	11.8
145.10109	9.8
147.04393	8.5
147.08031	11.3
147.11720	15.3
149.05989	7.4
149.09546	10.0
153.12675	2.2
155.08546	5.3
157.06499	3.4
157.10101	13.8
159.08055	5.5
159.11734	2.6
161.05980	6.4
161.09610	5.1
163.11156	14.1
165.12793	3.7
167.08580	2.5
171.08080	3.5
171.11729	5.3
173.04430	9.9
173.05916	4.2
173.09657	4.4
175.07574	2.7
175.11125	9.8
177.12740	3.3
181.10118	2.8
181.12236	4.9
183.11754	2.7
183.13762	2.0
185.06013	2.6
185.09557	2.7
185.13324	4.1
189.05472	5.0
189.09241	3.1
189.11205	4.5
189.12767	2.9
191.10669	7.6
193.12251	27.6
195.07976	2.7
197.09636	2.6
199.11179	2.2
203.10664	2.4
203.14543	2.1
205.12256	3.2
207.13914	2.4
209.11557	3.5
211.13232	24.4
215.10741	2.3
219.13902	2.7
223.07611	2.2
223.13202	3.5
227.12822	6.7
235.13290	6.9
237.12640	3.4
247.13345	3.2
249.14830	3.2
255.13744	5.0
259.13403	3.9
261.14993	3.0
267.08914	2.6
267.15851	10.2
273.14862	15.8
281.11398	2.3
283.13135	2.8
285.17181	5.8
301.14294	20.4
303.16031	2.7
309.16745	3.8
319.15359	8.3
323.16107	2.7
337.16602	4.3
349.21588	2.8
355.17593	3.6
357.16980	2.3
357.24173	3.0
367.22589	6.0
375.18042	9.0
385.23633	6.2
393.19135	4.0
403.24646	4.5
433.24768	1.9
441.26389	2.8
459.27460	18.3
477.28400	5.9
483.27646	3.4
493.26050	2.9
501.28052	4.4
513.27704	2.7
525.28436	3.1
529.27667	2.4
555.29657	3.4
567.29193	5.3
573.30304	6.3
585.30603	19.2
603.31750	20.2
621.32703	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	621.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
55.01667	0.7
55.01874	7.4
55.02302	0.8
55.05262	1.0
55.05510	16.1
57.03443	8.3
59.04982	1.4
65.03940	3.0
66.92414	0.8
67.05503	34.5
69.03075	1.0
69.03419	13.8
69.07060	7.8
71.01351	1.6
71.04987	5.7
71.11010	0.8
71.60493	1.2
73.02912	1.2
77.03930	1.0
79.05492	36.5
81.03416	100.0
81.07054	35.5
83.04980	18.9
83.08621	19.2
85.02415	1.4
85.02903	19.5
85.06541	1.9
87.04477	1.0
91.05478	39.1
92.91148	0.8
93.07039	25.1
95.01325	1.2
95.04967	35.3
95.08604	13.0
97.02885	16.2
97.06513	4.6
97.10164	7.1
99.04436	4.8
99.08094	1.2
101.02357	1.1
103.03951	1.2
103.05473	2.0
105.03414	1.1
105.07027	29.1
107.04951	13.6
107.08592	14.2
109.02108	1.4
109.02878	22.6
109.06493	7.0
109.10152	4.8
111.04440	12.2
111.08067	8.9
112.85300	0.8
113.06021	2.5
115.05466	3.2
116.06277	1.2
117.07005	7.1
119.04955	3.5
119.08576	20.5
121.02885	2.0
121.06545	6.3
121.10146	12.1
123.04428	8.5
123.08044	3.2
123.11696	3.2
125.02397	4.0
125.05995	1.8
125.09618	5.5
127.03920	9.9
128.06206	2.4
129.05525	1.2
129.07002	13.5
131.04942	5.0
131.08571	14.2
131.12244	0.8
133.06468	5.1
133.10103	9.6
135.04407	1.9
135.08058	3.0
135.11716	4.7
137.05989	2.5
137.09624	1.6
139.03850	1.0
139.07574	1.0
141.06958	1.7
142.07784	3.6
143.08571	3.7
145.06482	6.5
145.10138	7.0
147.04401	4.8
147.08093	4.0
147.11679	16.8
149.05974	1.9
149.09593	7.6
151.11203	2.4
153.07095	1.0
153.12753	2.1
155.08549	2.1
157.06468	1.8
157.10121	11.6
159.04509	1.6
159.08087	2.8
159.11681	2.2
161.06000	4.7
161.09602	2.2
163.03903	1.0
163.07541	1.6
163.11139	7.4
165.05557	1.3
165.12785	4.4
167.08615	1.2
169.06526	1.1
169.10164	1.0
171.08099	1.2
171.11688	1.4
173.04475	3.2
173.05905	1.7
173.09688	1.9
173.13292	0.9
175.07637	1.4
175.11169	12.1
175.12534	1.2
177.05511	1.0
177.12698	1.6
181.10109	1.5
181.12238	2.5
183.06627	1.1
183.08153	1.3
183.11827	1.2
185.09566	1.3
185.13275	1.3
187.07600	1.2
187.11130	1.6
189.05507	2.8
189.09142	1.3
189.11246	2.0
189.12813	2.3
191.10660	2.6
193.10555	1.1
193.12236	32.2
195.11671	1.2
197.05833	0.8
197.09566	1.1
199.11212	1.2
201.09187	1.0
201.12727	1.2
205.12267	1.8
207.13846	0.8
209.09720	1.4
209.11562	1.1
209.13303	1.4
211.11353	1.4
211.13274	39.2
211.15244	1.9
213.12787	1.9
219.11661	0.8
223.13287	2.1
227.12573	4.7
231.13863	2.0
235.13263	4.2
237.12672	1.4
245.15428	1.3
247.13568	1.1
249.14864	3.5
255.13774	2.6
257.15408	0.9
259.13306	1.9
267.15906	10.0
271.13385	1.0
273.14807	8.4
277.14532	1.5
283.13150	2.1
283.15924	1.1
285.10217	0.9
285.17197	5.5
289.14435	2.0
291.15909	2.0
301.14337	8.7
303.16025	1.4
308.11896	0.8
309.17203	1.5
313.16714	1.0
319.15369	6.6
328.45477	0.9
337.16562	5.5
349.22272	1.0
355.17679	3.2
367.22638	1.8
367.52075	1.0
375.17932	5.1
385.23700	3.2
393.18982	4.6
403.25064	1.5
411.20221	2.2
459.27368	7.4
477.28503	6.2
483.27460	1.0
488.30142	0.9
493.26678	1.2
495.29535	3.8
499.58499	0.9
501.28302	1.4
539.29602	1.3
543.30597	1.0
547.28760	1.0
555.29486	1.6
557.30554	1.0
567.29553	1.5
573.30066	2.2
585.30511	7.7
603.31775	9.1
621.32684	54.2
622.32666	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64334	0.8
51.16813	1.0
52.63134	0.8
52.72662	0.9
53.03944	7.4
54.68824	0.8
55.01874	6.4
55.05508	21.2
57.03431	7.5
58.07625	1.0
59.17145	0.8
60.17591	0.8
62.44183	0.9
63.04746	0.8
65.03923	2.9
67.05503	31.9
68.99780	1.0
69.03071	1.4
69.03416	14.9
69.07065	7.5
70.27879	1.9
70.28288	2.8
71.01357	1.0
71.04987	5.9
73.02882	1.0
73.79728	0.8
79.05488	32.8
79.05963	1.6
81.03414	100.0
81.07053	33.6
83.04977	16.8
83.08614	23.5
85.02902	19.5
85.06535	2.1
91.05476	42.2
93.07039	23.4
95.04961	34.5
95.05551	2.0
95.08591	12.0
97.02892	15.8
97.06527	5.7
97.10159	7.4
99.04452	3.1
99.08090	1.5
101.71077	0.8
103.05474	3.4
105.07030	27.4
107.04946	12.8
107.08587	12.4
109.02873	23.3
109.06522	6.7
109.10139	4.4
111.04444	9.5
111.08083	9.2
113.06007	1.9
115.05457	2.9
117.07021	8.6
119.04967	3.0
119.08579	20.2
119.74963	1.0
121.02842	2.1
121.06481	7.8
121.10141	10.2
123.04432	6.7
123.08068	4.3
123.11713	2.2
125.02355	3.4
125.09605	5.9
127.03912	8.3
128.06210	2.5
129.05470	1.2
129.07007	13.4
131.04936	4.7
131.08563	13.6
133.06503	6.1
133.10126	13.6
135.04416	1.6
135.08032	4.3
135.11687	4.6
137.02318	1.3
137.06000	2.7
137.09622	1.7
141.06963	2.2
142.07788	2.8
143.08556	3.8
145.06491	4.7
145.10118	9.9
147.04407	4.3
147.08073	4.5
147.11687	16.1
149.05994	3.6
149.09616	7.2
151.11128	1.4
153.09114	1.7
153.12733	2.3
155.08582	2.3
157.06516	2.2
157.10115	12.7
159.08081	2.4
159.11697	2.8
161.05942	2.1
161.09596	3.1
163.03914	1.0
163.11153	8.0
165.06943	1.2
165.12794	4.9
169.10114	1.4
171.04451	1.4
171.08105	1.9
171.11719	2.2
173.04494	3.9
173.05998	2.7
173.09682	3.5
175.07607	1.9
175.11174	14.7
177.05640	1.1
177.12778	1.7
181.10176	1.1
181.12238	3.3
183.08101	1.4
183.13924	0.9
185.05977	1.4
185.09688	0.9
185.13277	1.2
187.07556	2.3
189.05406	2.2
189.11223	4.8
189.12723	1.9
191.10675	3.9
193.12244	40.0
195.08092	1.4
197.09732	1.4
197.13211	1.0
203.10828	1.4
205.12334	2.1
207.13818	1.2
209.11615	1.6
211.11354	2.0
211.13269	44.8
217.12292	1.5
223.13268	0.9
223.44930	1.0
227.12602	5.7
227.14693	1.2
231.13881	1.9
235.13286	4.9
237.05365	1.0
237.12749	1.5
243.13760	1.7
245.15591	1.3
247.13150	1.3
249.14876	4.2
250.88849	0.9
255.13806	3.0
257.15405	1.1
259.13318	2.5
265.14447	1.4
267.15857	12.3
269.12469	1.1
271.13379	1.9
273.14838	10.0
277.14505	2.0
283.13031	1.6
283.15714	1.5
285.17032	8.0
289.14343	2.1
291.15891	1.5
301.14325	12.6
301.17474	1.3
303.15924	2.2
309.16797	1.9
319.15479	6.7
337.16220	4.3
347.18683	1.4
355.17569	3.3
357.16852	1.0
367.22659	2.6
375.18018	4.4
385.23758	4.4
393.19257	5.4
403.24994	1.5
411.20154	2.4
421.25568	1.1
459.27545	7.3
477.28580	5.8
493.25769	1.4
495.29736	5.8
501.28488	2.2
511.27020	1.4
529.28113	1.3
543.29712	1.5
557.30981	1.3
567.29724	2.2
573.30609	2.5
585.30682	9.2
603.31506	11.0
621.32642	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	621.2701
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05511	0.4
67.05494	1.0
69.07063	0.3
71.04961	0.3
79.05496	0.8
81.07053	1.2
91.05484	0.9
93.07046	0.9
95.04993	0.6
95.08625	0.5
97.06538	0.4
105.07045	1.0
106.06503	0.4
107.05003	0.3
107.08607	0.3
109.10181	0.4
119.08551	0.4
131.08583	0.7
133.10123	0.4
143.08519	0.3
145.10129	0.3
147.11710	0.4
157.10222	0.3
221.10777	0.3
223.12523	0.3
273.18555	0.4
274.00211	0.2
275.20047	0.5
296.16937	0.3
310.13281	0.4
374.15094	0.4
375.16193	0.7
387.16364	0.7
388.16956	1.4
389.17490	2.5
390.18390	1.2
391.18991	0.8
401.17889	0.9
402.14093	0.4
402.18842	1.6
403.19403	4.6
404.20090	2.4
405.20865	2.4
415.19711	0.6
416.16245	1.3
416.20459	0.8
417.17120	3.4
417.21109	2.4
418.17084	0.6
418.21719	1.0
419.22409	7.3
420.23007	0.7
430.17331	0.6
430.22269	0.5
431.18112	7.2
431.23523	0.5
432.18747	1.9
433.20126	2.6
441.17090	0.3
443.18457	0.6
444.19455	0.6
445.20102	5.7
446.20901	7.5
447.21786	10.1
448.22327	0.6
457.20520	0.5
458.20370	0.3
459.22824	2.7
460.18359	0.6
460.23746	0.4
461.19281	1.3
463.21533	0.4
473.19400	1.0
473.23840	1.0
474.20282	6.1
475.21164	7.7
475.27457	0.4
477.23117	0.4
478.23767	0.5
487.21320	3.3
488.22064	0.8
489.22760	0.5
491.20374	1.5
501.22882	1.6
505.25894	1.2
518.23071	0.6
519.20355	0.5
523.38336	0.4
529.22302	0.5
533.25482	14.1
534.25885	0.8
561.24939	20.1
562.25537	0.9
589.24750	0.9
593.27625	3.5
621.27039	100.0
622.27325	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	621.2702
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.82809	0.7
58.44794	0.7
69.36778	7.5
152.79346	0.7
179.90198	0.8
217.12210	1.0
218.12654	0.9
277.53729	0.8
307.07150	0.8
328.69962	0.7
376.17801	0.8
388.16959	1.8
389.17758	2.9
390.18433	1.4
401.17886	1.2
402.18616	1.7
403.19412	3.6
404.20023	2.2
415.19431	1.2
417.16486	1.6
417.21368	1.7
417.66614	0.9
418.22012	1.1
419.22495	5.1
429.21359	0.9
430.21689	1.4
431.17831	3.6
445.20840	5.2
446.21024	2.6
447.21713	5.3
459.18192	3.0
460.18906	1.0
461.19775	2.3
473.19424	0.9
474.20425	8.3
475.21271	10.5
487.21436	3.3
497.19785	1.1
501.22977	2.6
533.25629	6.0
561.24890	25.9
562.24988	1.0
589.24652	1.5
621.27032	100.0
622.27252	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	621.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92409	1.0
59.78563	1.0
63.69994	1.1
71.52047	1.8
79.45901	1.1
108.29082	1.0
160.05002	1.1
196.61943	1.1
245.54442	1.3
349.95163	1.2
375.16074	2.2
387.16193	2.1
388.16873	2.3
389.17487	5.0
401.18045	1.8
402.18689	1.8
403.19354	5.7
404.19830	4.0
405.20871	2.8
415.19638	2.1
416.15921	2.0
417.16840	4.4
417.20950	5.0
418.17590	1.3
419.22461	11.7
430.17728	1.7
431.18042	9.5
432.19537	3.5
433.20169	2.5
445.20035	8.1
446.20831	9.3
447.21826	16.6
459.21826	4.3
460.18109	1.1
461.20145	1.5
473.19324	2.1
474.20447	19.2
475.21371	21.7
476.21683	1.5
487.21066	5.1
488.21823	2.0
489.23404	1.3
505.26135	3.0
529.21692	1.4
533.25531	16.7
561.24951	96.0
562.25232	7.8
589.24561	1.8
593.27618	3.8
621.27051	100.0
622.27179	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	621.2697
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.52958	0.4
63.78679	0.4
71.51294	0.4
92.27174	0.4
100.03461	0.4
102.07564	0.4
112.63061	0.4
124.78905	0.4
144.22224	0.3
158.44012	0.4
204.06557	0.4
209.02260	0.4
217.74324	0.4
221.10670	0.4
271.49515	0.4
323.13974	0.4
336.83151	0.4
348.15195	0.4
374.15311	0.9
375.16101	1.1
376.17230	0.5
387.16388	0.6
388.17075	1.4
389.17612	3.6
390.18298	1.9
391.19119	0.8
401.17786	1.2
402.18466	1.5
403.19354	5.2
404.20102	2.1
405.20868	3.4
415.19299	1.1
416.16116	1.3
416.20676	0.9
417.16995	4.0
417.20975	3.4
418.17365	1.0
418.21664	1.3
419.22403	8.4
420.22803	0.8
429.21274	0.8
430.17801	1.4
431.18112	7.8
431.23572	0.8
432.19067	2.6
433.20065	2.1
444.19528	0.5
445.19980	7.0
446.20901	7.6
447.21786	11.0
448.22256	0.7
457.20053	0.5
459.22748	3.6
460.23068	0.5
461.19272	2.5
463.21124	0.9
473.19046	1.2
473.23730	1.3
474.20242	6.6
475.21130	10.3
478.23593	0.4
487.21335	4.1
488.22290	1.0
491.20938	1.6
501.23105	2.0
504.21414	0.5
505.25754	1.5
518.23187	0.8
519.20612	1.3
529.21967	0.6
533.25403	15.6
534.25732	1.0
561.24890	23.3
562.25201	1.4
589.24109	0.9
593.27466	3.6
621.27008	100.0
622.27411	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99858	1.5
60.32446	1.0
68.98312	1.1
69.19399	1.2
70.26218	5.6
76.78805	1.0
77.00912	1.7
82.99837	1.3
83.66544	1.1
86.99368	1.1
91.05472	1.3
94.99316	1.0
94.99863	1.9
97.02873	1.4
101.00866	13.7
107.04941	6.3
109.02895	1.5
110.32455	1.1
113.00875	4.2
115.02397	1.3
119.01910	75.9
121.31789	1.2
127.02422	2.4
129.00351	1.3
131.01900	32.9
133.03461	4.3
137.02957	12.1
142.01097	3.9
142.03476	1.1
143.00816	2.5
143.01895	32.7
145.03448	16.4
147.01384	10.6
147.04962	1.4
149.02969	7.0
153.02362	2.3
155.01880	24.1
155.03093	1.7
157.03464	12.5
159.01404	4.0
160.02184	6.4
161.02950	61.6
163.04506	4.8
167.01834	8.2
167.05569	3.1
169.03391	5.8
170.04285	1.6
171.01358	4.8
171.05087	5.8
173.02956	69.7
174.03423	1.2
175.04555	3.5
177.02487	15.9
177.03944	2.8
179.01820	2.7
181.03442	3.2
183.04988	1.7
184.02194	3.7
184.04596	1.8
185.02946	61.6
185.06508	10.4
187.04526	6.2
189.02440	8.7
191.04045	6.4
193.03421	1.4
195.05025	61.3
196.02220	2.2
197.02946	21.7
197.06570	1.4
199.04579	5.7
201.02399	2.3
203.03989	23.8
205.03465	1.5
207.01483	1.6
207.05038	9.3
209.02963	2.5
209.06604	5.3
211.04591	1.6
213.06055	16.6
215.03984	15.2
218.06676	1.4
219.03452	3.2
219.05144	17.0
220.05713	1.3
221.02991	2.5
221.04965	11.6
221.06715	1.2
223.04500	4.4
225.06087	7.5
227.04042	12.6
227.07602	1.6
229.05484	1.8
231.03275	2.6
231.05182	3.9
233.06674	1.7
235.04556	13.6
237.06099	22.4
239.03978	5.1
243.07237	3.1
245.05045	100.0
246.05324	2.7
247.08179	1.6
249.06122	20.7
251.04053	3.7
251.07654	1.6
253.05589	18.7
257.05057	12.2
261.04388	4.5
261.06256	4.6
263.06003	12.8
265.05563	3.0
267.07126	28.7
269.05142	6.3
271.06720	11.1
273.06207	3.4
275.06073	11.5
277.05588	6.5
279.03046	1.7
279.07074	7.3
281.05060	27.8
281.08215	1.6
289.05466	2.1
291.07138	11.0
293.04791	2.8
293.07367	4.2
295.06595	44.5
297.04538	44.6
297.07907	2.5
299.06122	4.2
301.05341	1.2
303.07178	2.5
305.07211	10.0
307.06540	7.9
309.08060	6.7
311.06113	3.9
315.05643	3.7
319.06625	1.5
321.04602	4.2
323.06229	1.9
325.07623	2.9
331.06668	1.9
335.08377	2.3
337.07742	6.6
339.05615	12.8
339.09283	1.6
341.06894	2.0
349.07462	1.8
351.05576	7.6
351.09137	2.4
355.08658	3.1
357.06659	33.0
357.11081	1.8
361.07547	1.3
365.07379	9.8
369.06561	11.6
375.07620	3.4
379.08643	18.1
380.08981	1.3
381.06595	2.6
383.08160	24.7
387.07620	4.2
397.09766	22.5
399.07755	17.0
401.09518	3.3
405.06561	6.4
417.08807	1.9
423.07724	29.8
441.08780	42.6
441.15137	2.1
459.09833	56.9
477.10916	5.1
545.13550	4.4
559.15356	2.6
621.14996	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	620.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.0
55.05503	9.1
57.03428	8.5
58.10109	0.9
59.04976	2.0
61.02914	2.7
65.03912	1.4
65.55567	1.2
67.05499	57.2
69.03407	3.1
69.07062	8.1
71.04986	4.0
71.60424	1.5
72.08132	1.0
73.02917	1.5
79.05481	15.1
80.05817	1.1
81.03421	6.8
81.07050	30.9
83.04971	3.4
83.08616	9.8
85.02902	3.4
85.06528	2.8
90.42173	0.9
91.05474	12.6
93.07035	20.2
95.04946	3.5
95.08611	9.0
97.02889	1.5
97.06519	5.0
105.07004	4.2
106.07360	1.0
107.04956	1.5
107.08591	11.9
109.06507	2.1
109.10148	41.0
111.04466	1.1
111.08081	4.7
117.07001	4.0
119.08575	5.3
121.10130	6.7
123.11708	1.6
127.03856	1.4
131.08580	2.7
133.10138	3.5
135.08029	1.4
135.11684	4.1
137.09627	1.6
145.10068	1.3
147.11699	1.9
149.13234	9.8
155.08449	1.0
155.10587	1.5
159.11665	5.5
173.11736	13.0
177.12703	2.4
178.14116	1.1
195.13756	5.9
227.12778	1.4
229.14331	35.5
269.17468	39.6
272.25800	1.3
338.47818	1.1
376.37616	1.3
423.27386	100.0
424.27512	1.8
620.34845	5.6
621.32513	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	619.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07962	0.8
51.02368	2.2
53.03936	9.7
55.01870	5.0
55.05506	27.5
57.03435	8.1
57.07067	2.0
61.02892	0.8
65.03932	5.6
67.05499	79.7
69.03428	16.0
69.07062	19.2
71.01347	1.1
71.04984	8.6
71.60060	1.2
73.02908	2.0
73.06548	2.0
73.45876	0.8
77.03898	1.2
79.05486	84.4
80.05821	1.1
81.03411	80.2
81.07048	89.9
83.01361	1.4
83.04974	21.2
83.08615	12.9
85.02894	8.0
85.06526	4.0
91.05472	72.5
93.07034	75.7
95.01328	1.2
95.04959	27.1
95.08600	35.1
97.02889	14.9
97.06513	8.7
97.10155	3.0
99.04453	6.3
99.08077	3.1
103.05431	2.5
105.04504	2.5
105.07021	50.2
107.04941	10.3
107.08582	30.4
109.02879	10.6
109.06519	9.2
109.10143	7.0
109.67905	0.9
111.04429	10.3
111.08063	5.1
115.05463	2.9
116.06232	1.0
117.07005	17.3
119.04957	1.2
119.08568	27.9
121.06480	6.2
121.10126	11.9
123.04478	1.3
123.08045	5.7
123.11713	3.9
125.06068	0.9
127.03907	10.3
127.07586	1.8
128.06221	4.1
129.05521	1.3
129.06999	17.5
130.07802	2.0
131.04933	1.4
131.08560	13.9
133.06482	3.7
133.10133	14.0
135.04388	1.0
135.08060	3.2
135.11696	8.1
137.06042	1.3
137.09662	1.2
139.11140	1.0
141.06987	3.8
143.08560	12.1
145.06448	4.2
145.10103	9.7
147.04379	1.1
147.08055	4.1
147.11667	29.8
147.12773	1.7
148.12007	0.9
149.13248	11.0
151.11188	1.6
153.06955	1.2
155.08578	3.7
156.09370	1.2
157.06453	2.1
157.10188	4.8
159.08034	2.0
159.11679	9.1
161.05959	1.1
161.09645	4.0
161.13248	10.4
163.11203	1.7
165.12743	3.8
167.08565	3.0
169.10173	2.8
171.08017	1.5
171.11673	23.1
173.04498	2.6
173.05928	1.0
173.09575	1.4
173.13278	2.5
175.11174	1.3
177.12714	5.3
179.14383	1.2
181.10155	1.2
183.06535	2.7
183.08043	1.1
183.11708	1.7
185.09621	1.2
187.13289	1.3
187.14845	1.2
189.12727	10.4
193.12167	1.0
193.42128	0.9
195.13782	6.6
195.70474	1.0
197.13235	1.7
199.05948	2.2
199.11336	1.0
201.12830	1.3
203.14449	1.4
207.13777	27.2
211.14809	1.5
213.14792	2.1
215.14330	1.3
219.13812	1.6
223.14867	1.0
225.14771	2.0
233.15338	1.6
245.15457	1.0
249.14879	1.3
249.67491	1.0
251.16310	1.4
257.15445	1.0
261.15079	1.3
265.18054	0.9
267.15988	3.3
269.15137	1.2
269.17560	4.6
275.16528	1.6
279.15891	1.3
281.17410	11.8
285.14853	1.6
287.16492	1.8
297.17111	2.0
303.15863	1.4
315.16052	1.1
321.17059	4.5
333.16547	1.1
339.17957	12.3
351.18124	2.7
359.18912	0.9
389.19821	1.7
395.20605	9.0
407.20618	1.9
411.20016	1.1
439.28345	1.3
457.29602	3.6
475.30472	15.3
491.29944	1.8
545.31592	1.3
555.33008	1.8
583.32654	1.6
601.33435	3.9
619.34692	100.0
620.35260	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	619.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	2.0
52.03438	1.3
53.03743	1.3
53.03942	13.3
55.01866	6.0
55.05508	28.5
57.03420	5.9
57.07047	1.2
63.29978	1.0
65.03917	4.7
67.05501	79.8
69.03426	16.7
69.07064	16.0
71.01360	1.4
71.04986	6.6
77.03876	1.7
79.05486	84.6
81.03414	79.1
81.03822	1.0
81.03912	2.1
81.07051	88.3
83.04977	19.8
83.08611	15.5
85.02888	7.9
85.06544	5.8
91.05476	82.1
93.07037	84.6
95.04359	1.9
95.04964	34.1
95.08599	34.6
97.02881	15.4
97.06513	9.1
97.10150	4.3
97.93524	1.0
99.04436	5.8
99.08085	1.4
103.05441	3.2
105.04565	1.9
105.07026	50.6
107.04958	11.8
107.08588	31.8
109.02856	10.5
109.06499	8.7
109.10146	7.5
111.04443	8.6
111.08064	5.0
113.09591	1.5
115.05449	5.5
117.07015	19.0
119.04952	1.5
119.07780	2.0
119.08576	27.2
121.06506	7.2
121.10129	15.0
123.04426	1.8
123.08046	5.3
123.11695	4.9
127.03918	11.5
127.07473	1.7
128.06206	4.9
129.06993	21.3
131.04893	1.5
131.08565	16.2
133.06453	4.7
133.10132	17.8
135.08023	4.3
135.11690	7.7
137.05951	2.0
137.09631	2.1
141.06947	4.1
143.08540	13.4
145.06470	4.5
145.10121	11.5
147.08032	3.6
147.11678	33.7
149.09579	2.9
149.13263	11.0
155.08533	3.8
156.09322	1.4
157.06413	1.5
157.10071	4.3
159.08081	2.4
159.11682	9.4
161.09622	5.1
161.13251	11.0
163.07663	1.2
165.06870	1.2
165.12672	3.0
167.08565	2.0
169.10141	4.1
171.08012	1.6
171.11682	22.3
173.04378	3.0
173.13257	2.9
175.11157	1.8
176.40996	1.1
177.12737	4.7
179.08601	1.7
179.14313	2.1
181.10129	2.6
183.06496	2.8
183.11693	2.0
185.09689	2.0
185.57724	1.0
187.11143	2.0
189.12714	12.7
191.47423	1.1
195.12050	1.4
195.13780	8.3
197.13185	1.4
199.05995	4.2
207.13800	29.0
219.13742	1.3
223.14975	1.7
225.14856	2.6
233.15331	1.7
249.14885	1.4
261.14862	1.2
263.19714	1.2
265.17685	1.2
267.15842	3.9
269.17584	5.9
281.17477	13.6
285.14691	2.0
287.16418	3.7
293.17499	1.8
293.20920	1.2
303.15845	2.0
309.16904	2.0
321.16901	3.5
339.18054	11.0
343.19226	1.5
351.17862	3.3
377.19598	2.3
395.20587	11.9
407.20572	2.6
457.29428	4.2
475.30582	15.4
481.30109	1.3
537.31677	1.6
555.32874	1.6
559.48083	1.2
583.32867	1.8
601.33276	3.4
619.34656	100.0
620.34650	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	617.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05000	6.8
71.60024	1.4
75.04470	1.0
76.97269	1.0
83.04983	3.1
85.02901	8.5
105.89462	0.9
110.51394	0.9
119.04916	1.2
147.04370	4.9
151.03694	2.2
164.16380	1.0
169.04739	7.7
172.04585	0.9
181.34285	0.8
187.05807	4.7
190.26035	1.0
223.96274	0.9
315.10495	100.0
324.02405	1.2
325.03195	8.6
377.02148	1.8
471.09045	22.4
473.00549	0.9
579.20087	1.0
592.64618	1.0
617.14764	90.2
618.15503	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85286	1.3
55.05490	2.2
59.09763	1.2
63.60238	1.2
67.05489	3.7
69.07025	1.8
69.92303	7.1
73.92666	1.3
79.05485	2.9
81.07047	4.7
89.33981	1.2
93.07053	2.3
95.08613	1.5
105.06992	3.2
105.65320	1.5
109.10149	2.0
129.85732	1.3
281.90475	1.5
283.15094	14.9
339.17773	6.6
345.55624	1.3
617.40179	100.0
618.40344	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	619.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.7
51.47792	1.5
53.03942	16.0
55.01865	6.4
55.05510	30.1
55.81955	1.6
57.03437	9.5
62.96558	1.5
65.03925	5.6
67.05500	91.4
69.03426	18.2
69.07062	25.7
70.73324	1.6
71.04980	7.6
73.06585	2.3
74.09699	1.8
75.60747	1.7
77.03931	2.2
79.05486	96.2
81.03413	83.8
81.07050	100.0
83.04980	22.1
83.08615	17.1
85.02898	10.1
85.06536	3.3
91.05475	75.6
93.07037	91.0
95.04963	30.6
95.08600	43.8
97.02882	21.9
97.06530	12.9
97.10154	4.8
98.21111	12.4
99.04456	9.2
99.08125	2.1
103.05476	3.6
105.03386	1.8
105.04517	2.9
105.07018	53.1
107.04954	13.3
107.08593	36.2
109.02868	12.4
109.06532	9.9
109.10153	6.7
111.04459	5.9
111.08061	6.5
115.05426	5.3
117.07006	24.2
119.08572	29.5
121.06493	9.5
121.10139	17.2
123.04445	2.3
123.08085	6.7
123.11717	4.5
125.05954	1.8
125.09625	2.6
127.03915	10.1
128.06227	5.1
129.07005	20.4
130.07788	2.5
131.04901	4.1
131.08568	18.8
133.06493	5.7
133.10103	18.0
135.04434	1.9
135.08054	4.3
135.11720	6.1
138.29189	1.7
141.06984	3.6
143.08560	13.7
145.06493	6.3
145.10069	11.3
147.08052	5.9
147.11671	34.5
149.05975	2.1
149.13254	18.3
155.08545	4.2
157.06450	3.9
157.10141	6.2
159.08055	4.6
159.11694	14.0
161.09659	6.7
161.13216	9.0
165.12729	2.9
169.10123	3.4
171.08075	3.3
171.11676	24.3
173.04446	2.8
173.13318	3.0
177.12744	9.1
183.06647	2.5
183.11719	2.7
187.11230	2.8
189.12659	10.6
193.12228	2.1
195.12122	1.8
195.13705	8.4
201.12773	2.1
207.13760	27.0
211.11151	1.9
213.14848	2.4
224.98650	1.7
225.14885	3.0
229.83038	2.1
243.14023	2.2
245.15556	2.6
253.45535	1.8
257.15427	2.9
267.15997	4.2
269.15057	2.7
269.17529	6.2
271.16943	2.2
273.15030	2.5
281.17514	12.0
287.16501	6.9
303.15881	3.2
309.17004	3.2
315.15906	2.7
321.16962	4.2
333.17035	2.3
339.17892	10.0
351.18005	3.0
371.69308	2.0
377.19360	2.6
387.50110	2.2
395.20319	10.0
407.20459	2.2
457.29379	2.4
475.30478	19.1
555.33185	4.5
583.32782	2.3
601.33685	3.2
619.34705	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.1
57.01779	1.4
57.03452	1.6
65.03941	8.6
66.36461	1.6
67.05502	3.4
71.05000	1.9
71.60165	1.8
79.05500	1.9
81.03424	2.2
81.07030	3.3
85.02924	2.9
91.05497	4.1
93.03415	2.3
95.04982	3.5
95.08622	2.6
97.06522	1.7
103.05470	2.8
105.07054	1.9
107.04949	3.2
109.06497	1.8
110.03655	7.4
111.04449	10.1
119.04988	2.0
121.02868	5.7
123.04413	1.9
125.05984	10.2
127.03924	2.5
131.04953	3.3
133.02815	2.1
135.04443	2.1
135.70641	1.7
137.06009	4.9
139.03929	1.8
147.04471	3.6
148.05170	1.6
149.02357	2.1
151.03996	3.3
151.07530	1.8
153.01871	2.5
153.05472	16.5
155.07184	1.4
159.08139	2.5
161.05966	3.2
161.09694	2.4
163.07513	3.4
165.05557	2.1
167.07066	4.9
175.07637	2.5
177.05495	2.3
180.07892	2.4
181.04980	17.9
191.07030	10.6
195.08057	2.4
197.05968	1.7
197.09711	2.0
208.07320	2.0
209.06038	2.5
210.06721	1.9
218.63770	1.5
221.09789	1.7
223.07622	3.4
225.07434	3.1
225.09337	2.2
235.07367	2.1
238.09933	2.7
239.07031	3.8
240.07825	5.8
246.99834	1.8
251.06923	2.8
253.08578	14.4
253.12312	3.5
255.06624	1.8
255.10280	2.8
265.08652	2.0
266.09659	1.8
267.10074	2.0
268.07358	3.8
269.08087	3.6
276.55258	1.7
279.06522	1.5
281.08191	3.5
281.11798	5.0
283.09647	6.6
284.10541	2.9
285.11029	2.5
295.09729	3.7
298.08554	1.7
298.12076	2.8
299.12772	4.2
301.07153	2.2
309.11203	5.2
313.10730	8.7
313.14139	3.2
327.12231	26.0
331.15533	2.4
341.13998	3.8
359.14883	100.0
371.14886	4.2
389.16101	2.6
631.48492	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79187	0.3
51.02376	0.7
52.66321	0.3
53.03935	1.0
55.01876	0.4
57.03427	0.4
67.05482	1.0
69.03423	3.3
69.07035	0.4
71.04987	0.6
79.01855	3.9
79.05493	0.5
81.03413	8.2
81.07040	0.5
85.02901	2.6
91.05456	1.0
93.07044	0.3
95.04962	0.5
97.02885	6.8
99.04454	1.1
105.07011	0.4
107.01318	1.6
107.04955	0.8
109.02164	0.2
109.02870	5.3
116.44194	0.3
119.04955	2.4
123.00791	0.3
123.04430	0.3
123.07957	0.3
125.02356	4.2
127.03905	6.7
131.00061	0.3
131.04880	0.4
135.04416	0.3
137.05995	1.0
143.03404	7.5
145.04947	1.1
147.04408	10.8
153.01823	100.0
167.07025	0.6
171.02878	11.6
181.04953	20.6
189.05525	0.4
199.06029	0.8
237.03902	0.5
297.06012	10.7
301.10687	28.9
315.07028	3.7
363.34891	0.3
367.18787	0.3
389.15976	0.3
615.29523	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
55.01865	0.5
56.58299	0.2
57.03429	0.3
58.67221	0.2
59.06113	0.3
65.03943	0.2
67.05487	0.5
68.99808	0.3
69.03428	0.9
69.07077	0.3
71.04983	0.7
73.02920	0.2
74.87274	0.2
79.01437	0.2
79.01846	1.1
79.05507	0.2
81.03410	2.6
81.07053	0.4
83.01332	1.3
83.04963	0.5
85.02894	1.6
86.32503	0.2
91.05481	1.0
95.04944	0.6
97.02892	1.1
99.04435	0.3
107.01299	0.4
107.04937	0.6
109.02865	1.5
110.03613	0.2
111.04401	0.6
119.04935	2.7
119.08604	0.2
123.04391	0.8
125.02349	1.2
125.05956	0.4
127.03925	1.4
127.37159	0.2
137.05963	0.6
138.03113	1.8
141.05461	0.3
143.03391	2.6
145.05074	0.3
147.04401	9.5
151.03879	0.5
151.07797	0.2
153.01820	34.0
153.05412	0.7
154.56105	0.3
160.65860	0.2
163.03888	0.5
166.02609	1.6
167.07033	0.3
171.02893	2.2
178.07422	0.2
181.04944	100.0
182.05313	0.7
184.02188	0.4
184.03664	4.4
184.91774	0.2
199.06017	0.6
255.15855	0.6
256.16391	0.4
259.09698	0.6
297.06006	3.8
298.76767	0.2
301.10681	66.3
302.11026	0.6
303.04889	0.3
304.05081	0.4
305.23740	0.2
306.05661	0.3
315.07053	0.9
361.02463	0.4
377.01645	0.4
379.02859	0.3
463.15967	1.3
469.07275	2.7
584.55286	0.2
615.15417	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.3
53.33485	0.2
57.43652	0.2
62.04284	0.2
63.50743	0.2
67.05485	0.2
68.99788	0.4
69.03418	0.7
69.69312	1.1
71.04973	0.4
79.01862	1.3
79.05483	0.4
81.03408	2.4
83.01339	1.5
83.04980	0.3
85.02892	1.2
91.05460	1.0
95.04967	0.3
97.02882	0.9
98.20820	0.2
107.01308	0.4
107.04960	0.5
109.02872	1.2
111.04387	0.2
119.04939	2.2
123.04409	0.5
125.02360	1.1
125.05978	0.6
127.03918	1.3
131.04861	0.2
135.04311	0.2
138.03096	1.7
141.05438	0.4
143.03387	2.0
145.04941	0.2
147.04393	8.7
151.03842	0.5
153.01814	33.2
153.05399	0.7
166.02582	1.5
169.04738	0.3
171.02876	1.7
181.04936	100.0
182.05247	0.4
184.03658	4.3
199.06013	0.6
217.87643	0.2
227.57817	0.2
259.09552	0.2
297.06046	3.8
301.10666	62.0
302.10852	0.2
303.05072	0.2
315.06860	0.9
367.48932	0.2
385.52896	0.2
463.15994	1.5
469.07224	1.4
531.59467	0.2
615.17242	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	613.482
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
50.84680	1.7
53.03941	2.0
54.77585	1.4
55.05506	19.9
57.03422	6.9
57.07066	4.0
59.00225	1.5
65.03928	2.6
67.05499	62.0
69.07067	22.1
71.04989	2.9
71.08617	3.2
71.59029	2.5
79.05486	36.3
81.07053	68.7
83.08606	10.3
91.05466	24.1
93.07038	43.9
94.17517	1.7
95.04951	4.9
95.08598	54.9
97.06519	3.8
97.10163	5.5
99.08093	2.3
105.07020	32.5
107.08590	27.1
109.10143	27.4
111.08068	3.1
117.06991	9.4
119.08575	28.1
121.10133	28.9
123.11694	13.3
125.09642	2.8
129.07005	5.3
131.08562	25.3
133.10118	20.7
135.11670	20.4
137.13252	3.5
143.08560	6.0
145.10104	22.7
147.11693	20.5
149.13219	8.9
155.08569	2.1
157.10139	8.0
159.10396	2.9
159.11668	19.2
161.13210	12.9
163.14819	5.2
169.10150	2.4
171.11714	7.1
173.13278	12.2
175.14813	6.2
177.16338	2.2
181.10226	1.8
183.11661	3.4
185.13274	6.5
187.14790	7.6
189.16374	2.4
191.17929	2.2
195.23746	1.6
197.13255	2.0
199.14865	6.8
201.16428	4.6
203.17992	2.6
213.16463	2.6
215.17940	3.5
229.19653	1.9
231.20963	2.7
241.19687	3.0
257.19223	1.7
259.20593	7.2
261.22162	10.6
271.20514	2.2
277.21762	2.1
299.23822	2.5
315.26703	2.1
333.24146	4.4
335.25821	16.2
337.27338	7.9
489.36163	2.3
503.36951	2.1
521.43573	6.5
539.44287	4.9
595.47400	11.2
613.48169	100.0
614.48505	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
55.05508	0.8
57.03433	0.4
65.77605	0.3
67.05494	2.6
69.07066	0.6
69.31850	2.6
79.05487	2.3
81.03407	0.4
81.07061	2.5
83.04948	0.4
83.08630	0.4
91.05466	1.9
93.07046	1.6
95.04968	0.8
95.08598	1.4
98.20691	0.5
105.07022	1.4
107.08592	1.0
109.10180	0.6
117.07043	0.3
117.68153	0.2
119.08593	1.0
121.10168	0.3
123.11659	0.3
129.06976	0.3
131.08556	0.6
133.10118	0.5
134.27913	0.3
135.11693	0.6
145.10088	0.6
147.11642	0.6
157.10146	0.3
161.13309	0.3
171.11734	0.4
204.73073	0.2
211.27846	0.3
221.15121	0.4
247.13138	1.1
303.15698	1.8
305.39975	0.3
333.20358	7.6
389.22958	4.1
515.29877	0.4
553.25140	0.3
613.37091	100.0
614.27997	0.5
614.37177	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	613.4823
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03936	2.0
55.01863	1.1
55.05269	1.3
55.05513	22.0
57.03435	8.6
57.07070	3.7
65.03934	2.3
67.05502	65.4
69.07067	22.2
71.04993	1.8
71.08621	2.3
77.22111	0.9
79.05490	35.8
81.07054	69.2
83.04989	2.3
83.08614	12.9
85.06536	2.5
91.05476	32.9
93.07043	42.8
95.04958	3.3
95.08604	59.1
97.06526	2.6
97.10174	6.0
98.21561	1.7
99.08070	1.9
105.04518	1.1
105.07027	33.1
107.08591	29.5
109.10158	32.2
111.08059	1.8
117.07006	11.9
118.78249	0.9
119.07784	1.9
119.08579	26.8
121.10133	24.1
123.08077	2.0
123.11716	11.3
125.09637	2.4
128.06253	1.2
129.06995	6.3
130.07845	1.3
131.08571	22.2
133.10121	24.8
133.11075	1.9
135.11694	17.3
136.44543	1.2
137.13261	3.8
139.11198	1.4
141.07050	1.1
142.07838	0.9
143.08566	6.5
145.10120	24.8
147.11694	20.6
149.13235	10.1
151.14890	1.5
155.08524	1.5
157.10104	7.6
159.11694	19.4
161.13257	12.0
163.11125	1.7
163.14812	6.4
166.66527	1.0
169.10124	3.4
171.11639	8.9
173.13271	15.2
175.14833	6.4
177.16365	1.6
183.11797	3.0
185.13260	6.8
187.14764	7.9
189.16411	2.5
197.13257	2.1
199.14862	4.4
201.16397	3.7
202.86768	1.1
203.17932	1.7
205.19464	1.2
209.13260	1.9
209.15356	1.1
211.14894	2.2
213.16478	2.7
215.17989	3.4
217.19528	2.3
223.14848	1.3
223.98123	1.1
225.16660	1.1
227.18048	1.9
229.19485	2.0
231.21104	2.4
239.18016	1.2
241.19574	3.5
243.21136	3.9
245.22612	1.4
247.20651	1.4
257.19009	1.3
259.20563	8.2
261.22144	11.8
263.23788	1.4
271.20691	1.0
273.22266	1.4
275.23840	1.8
285.22131	2.0
287.23752	1.7
299.23779	1.6
301.25281	1.3
313.25186	1.9
315.23294	1.2
315.27167	1.7
317.24936	1.8
333.24173	6.1
335.25809	19.0
337.27417	8.6
341.28683	1.1
347.26187	1.5
355.30136	1.4
383.33408	1.2
489.35541	1.3
494.59558	1.1
503.36383	1.3
503.42923	2.0
517.38928	1.2
521.43524	5.9
539.44696	3.3
543.40625	2.7
595.47107	12.2
613.48248	100.0
614.48700	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	613.2653
Annotation	Karajinone B
Peak:m/z	Relative Intensity
55.05520	0.4
67.05479	1.6
69.03400	0.6
69.07062	1.1
71.12145	1.0
79.05473	1.2
81.07047	1.9
82.23544	0.5
83.08600	0.5
87.99785	0.5
89.76666	0.4
91.05473	1.3
93.07034	1.2
95.08600	1.1
102.00799	0.5
105.07020	0.6
107.08617	0.7
109.06496	1.5
109.10163	0.6
116.25694	0.5
119.08537	0.6
120.08113	0.5
131.08554	0.9
135.05573	0.5
151.73843	0.6
163.11209	0.7
169.65506	0.5
199.08516	0.6
204.06584	0.8
249.10811	1.7
251.11739	0.5
263.11832	0.6
305.13449	1.5
337.15323	0.5
337.65991	0.5
351.15918	0.6
353.17889	0.5
366.14725	1.0
367.19098	1.2
379.15482	0.8
380.16306	0.8
381.17197	2.7
382.17630	0.6
393.17145	0.8
394.18152	0.8
395.14801	0.5
395.18744	3.8
396.19586	4.3
397.19904	1.4
408.15561	0.9
409.15967	1.0
409.20715	1.1
410.21347	1.0
411.21759	2.8
423.17316	2.9
423.22433	1.3
424.18753	3.6
425.19815	0.9
437.15106	2.8
437.20718	1.0
438.20291	1.6
439.21350	4.5
449.19708	1.7
451.16986	4.7
452.18262	1.8
453.18570	1.1
465.19037	1.7
466.19653	3.6
467.20477	2.4
479.21112	2.4
482.23178	1.7
483.23734	1.0
493.22256	1.1
497.25262	1.5
510.22198	1.8
521.22040	0.8
525.25110	8.6
535.23566	1.0
538.21832	2.0
539.22998	1.1
541.31567	0.5
553.24414	17.5
581.24109	1.1
613.26276	100.0
613.33893	7.2
614.26740	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2278
Annotation	PROTOCHLOROPHYLLIDE
Peak:m/z	Relative Intensity
53.03934	0.5
55.01846	1.0
55.05517	0.3
56.61605	0.4
57.03454	0.3
65.03935	1.8
67.05500	0.9
69.03420	0.6
69.47875	1.2
69.48307	1.8
70.06574	0.4
70.36788	0.4
70.58739	0.4
70.79538	0.3
71.04962	0.4
72.08146	0.6
78.04709	2.6
79.05479	1.1
81.03392	0.7
81.07039	0.6
82.04176	0.6
85.02903	3.1
86.09684	0.4
91.05474	4.4
93.03404	0.5
94.04146	0.5
95.04955	2.5
96.05736	0.6
103.05461	1.6
105.03383	0.6
105.07023	0.4
106.04176	1.6
107.04929	2.0
108.02119	0.4
110.03677	1.1
111.04390	0.8
115.05451	5.2
116.06292	0.5
117.07018	9.7
119.04951	4.2
121.02881	2.2
122.03649	0.9
123.04417	7.3
124.05208	2.8
125.05962	1.2
125.83580	0.4
127.05438	1.5
131.04944	1.1
133.02872	0.7
133.06487	0.7
135.04359	0.6
137.04991	0.6
137.05974	6.7
138.03111	0.4
142.02632	0.7
144.05685	0.5
145.06483	15.0
147.04391	5.4
147.08012	0.8
149.06001	0.5
151.03925	2.1
151.07532	0.9
152.04723	1.8
153.05487	1.9
155.04863	0.6
155.06021	4.1
155.07127	0.5
160.05270	0.6
161.05939	1.0
165.05515	0.8
167.07034	100.0
168.07410	0.6
171.06514	1.6
173.05984	21.7
175.07523	1.1
179.07056	1.4
181.04953	31.2
191.07024	1.2
201.05547	0.5
203.07028	1.2
205.08586	4.7
219.06476	0.5
231.06506	0.5
233.08073	5.0
235.09637	5.6
237.09053	0.4
268.66611	0.4
285.10345	0.4
293.07968	0.5
297.11142	0.5
310.08182	0.5
325.10724	0.7
353.10046	0.6
357.13284	3.7
381.13495	0.6
385.12790	20.4
386.13519	0.8
387.14346	5.6
417.15417	12.6
583.21741	3.2
613.22778	42.4
614.23309	0.6
629.04791	0.4
632.06409	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68818	0.6
52.07318	0.6
53.03934	1.4
54.78392	0.5
55.01868	0.9
56.96523	0.7
57.03412	1.0
57.26282	0.5
65.03925	2.4
67.05484	1.6
69.03413	0.8
69.88639	3.2
78.04731	3.1
78.93704	0.7
79.05482	2.1
81.03394	1.0
81.07049	1.0
82.04197	1.0
85.02883	2.4
91.05472	5.2
94.04166	0.6
95.04955	2.5
95.08585	0.6
97.02875	1.1
98.21515	0.7
103.05457	1.4
105.03379	1.0
105.07018	0.9
106.04174	0.9
107.04946	4.3
109.06502	0.7
110.03653	1.9
111.04433	1.2
115.05457	6.0
115.74387	0.6
117.07024	9.2
118.25437	0.6
119.04943	4.7
122.03642	1.0
123.04430	9.5
124.05184	1.9
125.06001	1.4
127.05452	1.4
129.05452	0.8
131.04893	1.8
131.09605	0.7
133.02788	0.8
133.06419	0.9
135.04433	0.9
137.02345	0.8
137.05972	6.9
144.05675	0.8
145.06488	16.3
147.04401	7.4
151.03886	6.2
151.07538	1.0
152.04547	2.4
153.01804	0.9
153.05493	3.4
155.06030	4.4
161.05972	0.8
163.03955	0.8
165.05476	1.2
167.07037	100.0
171.06499	2.0
173.05986	23.1
175.07579	1.6
177.05388	0.6
179.07048	1.9
181.04956	37.4
189.05423	1.4
191.07051	2.3
201.05400	1.3
203.07037	1.6
205.08630	5.4
219.10156	2.1
220.10475	1.1
231.06396	0.8
233.08096	5.5
235.09663	5.3
237.09007	0.6
243.06526	2.4
265.08759	0.7
269.08090	4.7
293.08337	0.7
307.09476	0.7
311.13138	0.9
315.04953	3.7
325.10373	0.9
353.10291	0.6
357.13281	4.7
374.57843	0.7
385.12830	18.9
387.14374	6.8
417.15399	10.0
505.66452	0.6
583.21619	3.0
613.22778	39.0
614.23474	0.9
633.54401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.01854	0.8
55.59379	0.5
62.15002	0.5
69.03429	1.1
70.06573	0.5
71.59741	0.7
72.08145	0.7
79.01847	1.8
79.05513	1.2
81.03404	4.6
85.02906	1.6
91.05462	0.6
95.04966	0.8
97.02879	3.2
103.05543	0.6
107.04948	81.7
109.02874	1.9
119.04965	0.8
123.04456	1.2
125.02379	2.4
127.03938	2.6
137.05984	1.1
143.03357	3.4
145.05019	0.5
147.03352	0.5
147.04375	2.4
153.01825	47.3
163.03908	0.5
167.07097	2.4
171.02879	4.5
181.04958	0.8
192.04184	1.1
193.04955	39.8
297.05997	3.6
299.09128	100.0
300.09464	1.2
303.04773	0.7
315.07056	1.9
363.30295	0.5
538.47211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
53.43287	3.3
55.01863	7.0
55.05307	3.5
55.05515	42.4
57.03435	22.6
58.68297	3.6
67.05169	5.4
67.05503	98.0
69.03427	5.8
69.06782	3.2
69.07072	35.4
71.04980	10.9
79.05052	6.1
79.05490	82.2
81.03415	74.1
81.07058	100.0
83.04967	32.0
83.08611	37.3
85.02902	26.3
85.06554	4.8
91.05477	86.5
93.07038	73.0
95.04967	39.5
95.08605	40.9
97.06537	19.7
97.10160	11.7
101.35840	3.5
105.07032	57.3
107.04968	12.4
107.08588	42.0
108.32246	3.8
109.06521	10.5
109.10126	14.7
111.08073	16.2
117.06997	14.3
119.08572	40.5
121.06474	7.1
121.10143	18.2
123.08073	8.7
123.11737	6.3
125.09641	5.5
126.81770	3.7
129.07013	19.0
131.08549	32.0
133.10112	35.1
134.10397	3.5
135.08032	7.2
135.11678	16.1
143.08501	4.0
145.10123	14.1
147.04370	3.8
147.11682	31.2
147.15311	3.5
149.09624	17.3
149.13231	10.1
155.08545	5.4
157.10101	15.7
159.11726	17.7
161.13254	6.3
163.11198	13.4
171.11661	4.0
173.13300	5.9
175.11148	13.4
183.11617	3.5
185.13164	5.2
193.12244	45.6
195.13805	4.1
211.13310	73.0
227.12868	7.7
247.20715	4.9
255.15852	13.2
257.18991	6.2
267.15930	25.4
269.17459	22.6
275.20071	34.5
285.16922	60.4
349.23694	26.7
367.24847	3.8
368.62677	4.0
437.77423	4.0
447.27045	9.4
450.23648	3.9
450.29584	4.3
461.28787	15.2
465.28775	20.9
479.30045	63.9
505.71490	3.8
541.35187	5.9
559.36011	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	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.3
55.01862	1.5
55.05507	15.5
57.03429	3.2
57.07066	4.8
57.93560	1.1
65.03936	1.2
67.05505	31.4
69.07069	15.1
71.05003	1.7
71.08625	2.4
71.33590	2.8
79.05488	18.4
80.05833	1.2
81.03418	2.0
81.07057	29.1
83.08624	10.6
91.05471	19.1
93.07042	19.0
95.04961	3.1
95.08604	23.6
97.06516	2.8
97.10176	4.3
99.08125	1.8
105.07025	16.6
107.04922	1.6
107.08586	12.9
109.06531	2.2
109.10149	11.1
111.08110	1.6
117.07034	10.4
119.08572	15.7
121.10127	8.6
122.22544	1.3
123.08099	1.9
123.11729	2.9
125.09589	1.6
128.06235	3.4
129.06976	10.4
131.08571	17.0
133.10149	10.3
135.11702	3.4
137.13284	1.7
141.06976	2.1
143.08565	16.8
145.10115	17.4
147.11676	6.1
149.09787	1.6
149.13272	2.8
151.11249	1.3
155.08568	7.5
156.09296	1.7
157.10123	12.9
159.11696	12.9
161.13269	4.4
163.11191	1.9
163.14859	2.2
167.08505	1.9
169.10141	11.1
171.11699	10.6
173.11885	1.8
173.13260	8.6
175.14819	1.5
179.14326	4.5
181.10143	6.0
183.11697	7.7
185.13272	8.6
187.14867	3.6
189.16327	2.0
195.11752	3.5
197.13286	8.1
199.14828	7.8
201.16414	3.5
207.11795	2.0
209.13350	2.4
211.14793	4.1
213.16455	4.4
214.92104	1.2
215.17972	2.5
219.11766	1.6
221.13309	2.1
223.14839	1.9
225.16393	2.6
227.18016	3.3
229.19376	1.8
235.14784	1.7
237.16466	3.3
239.17969	2.7
241.19609	2.1
243.21167	1.3
251.17984	1.9
257.19095	1.5
259.20667	2.3
269.22772	1.3
275.20209	1.7
276.20401	1.9
277.21622	2.3
297.22198	1.3
325.25165	1.4
329.20694	1.4
353.28345	1.4
367.30023	1.7
369.28195	1.4
381.32043	1.7
449.35074	1.4
452.00049	1.3
501.41086	1.8
519.42053	13.9
523.38165	1.4
537.43005	7.8
541.39380	1.7
575.44623	2.4
593.45746	15.2
607.46149	1.4
611.46783	100.0
637.60327	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01881	2.5
55.05509	23.5
57.02781	1.6
57.03439	7.5
57.07070	5.1
61.25976	1.5
65.03944	2.2
67.05502	50.7
69.03413	2.0
69.07070	18.6
71.05000	3.4
71.59518	1.5
71.59953	2.0
79.05490	34.5
80.05819	2.5
81.03427	3.8
81.07055	49.1
82.07386	2.7
83.04984	3.3
83.08611	10.3
85.06537	2.5
90.04556	1.6
91.05471	32.7
91.06004	2.5
93.07047	38.6
95.01314	8.6
95.04972	8.8
95.08601	33.1
96.08975	1.4
96.15247	1.5
97.06550	4.4
97.10188	6.0
103.05442	2.2
105.07037	23.3
107.04943	3.8
107.08586	22.2
109.06549	3.0
109.10151	13.5
111.08117	2.8
115.05450	3.1
117.07017	16.4
119.04984	2.5
119.08571	21.1
120.08920	1.7
121.10165	15.0
123.04441	2.1
123.08073	3.0
123.11736	4.3
124.67699	1.4
125.09669	4.2
125.45153	1.4
128.06232	2.8
129.07022	11.6
131.08565	23.2
133.10123	11.9
135.08102	1.6
135.11696	5.9
137.09615	2.4
137.13293	2.0
141.06996	6.5
142.07813	1.7
143.08562	15.4
145.06523	1.5
145.10126	27.2
147.04411	35.0
147.11708	8.5
149.09642	2.7
149.13243	4.1
154.07724	1.6
155.08546	11.2
155.40758	1.6
156.09308	3.2
157.08891	2.6
157.10101	16.2
159.08073	1.6
159.11688	15.3
161.05956	2.0
161.13309	6.3
167.08598	4.4
169.10132	15.0
171.11708	10.8
173.13249	8.9
175.14821	2.5
181.10164	6.7
183.11665	11.2
185.13248	9.2
187.14851	5.1
187.69075	1.5
189.12759	1.8
193.10172	2.1
195.11720	5.7
197.13258	7.8
199.14888	7.4
201.16457	3.7
207.11786	2.4
209.13303	5.2
211.14880	4.8
213.16438	4.7
215.18037	4.0
221.13324	2.1
223.14922	4.5
225.16432	4.4
227.18088	2.9
229.19524	3.4
237.16264	2.2
239.17952	4.3
241.19662	2.0
243.21149	1.8
247.82069	1.8
251.18027	1.8
255.21249	1.9
257.19150	2.2
259.13297	28.5
261.22256	2.1
265.19611	2.3
272.59009	1.8
275.20239	3.7
276.20578	2.8
281.22696	1.6
289.14331	1.8
295.24359	2.3
305.22766	1.9
315.15927	2.3
333.16934	7.7
335.25735	13.8
337.21762	1.7
353.28635	1.9
381.31342	1.9
409.30844	1.6
411.33490	1.7
501.40854	2.1
519.41779	15.8
537.43213	9.7
551.26550	3.3
593.46057	16.6
611.27985	3.9
611.37604	5.3
611.46698	100.0
628.51416	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	611.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.01867	1.1
55.05263	1.0
55.05515	15.6
57.03429	3.6
57.07067	2.7
65.03929	1.8
67.05505	37.2
69.07069	15.1
71.04990	1.2
71.08603	1.5
73.87012	0.9
79.05492	27.5
81.07056	37.7
83.04992	2.0
83.08620	7.9
85.06547	2.0
90.11285	0.9
91.05476	26.1
91.57594	0.9
93.07041	29.8
93.07627	1.8
95.04972	3.6
95.08608	32.1
96.77761	0.9
97.06526	1.7
97.10162	3.5
99.08077	1.0
105.07025	27.6
105.32099	1.0
107.08596	20.1
109.06549	2.4
109.10152	13.2
111.08073	1.8
115.05464	1.2
115.55302	0.9
115.60430	0.8
117.07010	12.5
117.97280	0.9
119.08576	27.5
121.10145	12.8
123.08131	1.4
123.11708	5.1
125.09665	1.4
128.06247	2.9
129.05502	1.4
129.06989	9.2
130.07811	0.8
131.08557	20.5
133.10126	18.2
135.11697	11.3
137.13252	1.7
141.06993	3.2
142.07799	1.3
143.08545	12.1
145.10124	20.8
147.11682	15.4
149.13226	5.8
155.08530	5.7
156.09325	1.5
157.10130	15.2
159.11693	16.4
161.13260	11.9
163.14825	2.5
167.08601	1.7
167.37988	0.9
169.10112	5.5
171.11703	13.8
173.13255	10.7
175.14836	5.5
181.10156	3.0
183.11682	6.4
185.13252	11.1
185.32880	1.1
187.14784	5.5
187.19940	1.0
189.16371	1.4
195.11713	2.4
197.13286	5.2
199.14893	6.0
201.12794	1.0
201.16426	3.2
203.17990	1.1
209.13295	2.5
211.14870	3.9
213.16452	4.5
215.17943	1.5
217.15927	1.1
217.19652	1.4
221.13373	1.2
223.14833	2.2
225.16460	3.4
227.18103	2.2
231.21223	2.5
239.17972	2.4
241.19579	8.0
243.21198	2.1
257.19055	4.2
257.22424	1.1
259.20547	15.9
261.22168	2.8
275.20078	1.1
281.21347	1.2
299.23697	1.1
311.23755	1.6
315.23276	1.9
325.25455	1.2
333.24258	10.0
335.25766	11.1
337.27350	1.5
351.26663	1.1
353.28131	1.7
424.79309	1.1
449.34085	1.2
501.35257	1.7
509.36505	1.0
519.41919	7.1
527.37427	1.1
537.42914	4.2
541.38898	1.8
566.56281	0.9
593.45599	11.3
611.46655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01865	1.1
55.05509	18.8
57.03440	5.5
57.07071	3.2
58.01084	0.8
59.04988	1.1
65.03945	2.8
67.05504	45.2
69.07064	17.1
71.04988	1.9
71.10352	2.1
79.05489	36.1
80.05836	0.8
81.07056	46.7
83.04988	1.6
83.08617	7.8
85.06548	2.1
91.05478	32.2
93.07042	38.3
94.07396	0.8
95.04958	4.8
95.08604	37.1
97.06525	2.4
97.10174	3.2
103.05494	1.4
105.04565	1.0
105.07026	28.4
107.08594	20.4
109.06532	1.6
109.10152	12.8
111.08060	1.0
113.09637	1.2
115.05498	1.3
117.07031	13.2
119.08578	27.1
121.10137	16.5
123.11708	4.8
125.09654	1.1
128.06204	1.5
129.06993	9.9
129.07864	0.7
130.07756	1.2
131.08562	21.8
133.10130	21.7
135.08130	0.9
135.11693	13.8
137.13271	1.7
141.07002	3.1
142.07813	2.4
143.08562	14.9
144.09358	1.3
145.10121	20.8
147.08112	1.0
147.11682	13.9
147.12764	0.9
149.09708	1.3
149.13274	7.2
155.08556	6.1
156.09326	1.5
157.10121	13.7
159.11690	16.4
161.13242	13.8
163.14848	3.0
167.08588	1.7
169.10101	8.6
170.10971	1.2
171.11676	12.6
173.13249	13.4
173.14647	0.9
175.14828	5.3
177.16478	0.7
181.10173	2.8
183.11703	6.5
185.13223	9.0
187.14857	6.2
189.16418	1.3
193.10265	0.8
195.11697	2.8
197.13179	4.2
198.14040	0.9
199.14830	5.5
201.16409	3.4
203.14383	1.1
203.18047	1.7
209.13329	2.0
211.14854	3.4
213.16408	4.4
215.17879	1.9
221.13187	0.9
223.14862	1.9
225.16414	2.2
227.17979	2.4
229.19659	1.9
231.21126	1.8
235.14738	1.1
239.18008	2.7
241.19537	8.7
243.21103	2.7
249.16359	0.8
253.19527	0.9
255.21133	1.1
257.19040	4.3
258.45035	1.0
259.20584	14.9
261.22198	3.4
275.20056	1.7
277.21472	1.0
283.20618	1.1
285.22180	1.7
297.22116	1.0
303.23447	0.8
315.23114	1.5
325.25421	1.7
331.22757	1.2
333.24326	9.7
335.25775	16.7
346.98111	0.8
353.28238	0.9
435.32443	1.1
501.41046	1.0
503.37515	0.9
519.41974	6.4
522.33124	0.8
527.37689	1.4
537.43170	3.3
541.39001	1.7
589.96161	0.9
593.45520	9.3
611.46643	100.0
612.46906	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	611.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95271	1.2
53.03927	2.7
55.01857	1.8
55.05508	16.1
57.03435	5.9
57.07062	2.8
65.03938	2.0
67.05499	39.6
69.07062	13.1
70.03210	2.3
70.03607	3.9
71.04990	1.4
78.47842	1.2
79.05489	33.3
81.07051	43.3
83.08608	7.3
85.06531	2.9
90.44613	1.2
91.05475	31.7
93.07037	34.6
93.07618	1.8
94.33437	1.4
95.04955	4.5
95.08599	29.0
95.09159	2.4
97.06546	2.6
97.10196	2.5
99.08093	1.8
103.57942	1.1
105.06298	1.6
105.07025	27.7
107.08587	20.2
109.10146	14.2
111.08029	1.6
115.05418	1.5
117.07007	11.3
119.08569	27.1
119.09354	2.2
121.10126	12.3
123.11718	4.2
125.78828	1.1
127.80117	1.3
128.06200	3.1
129.06985	10.3
131.08553	18.8
131.09401	2.0
133.10129	18.9
135.11687	8.7
141.07024	2.7
141.28966	1.2
143.08559	13.0
145.10114	18.8
147.11682	15.0
149.13290	5.3
155.08586	6.2
156.09435	1.7
157.10126	11.1
159.11687	15.9
161.13240	9.4
167.08569	2.5
169.10118	4.6
171.11681	12.5
173.13229	9.4
175.14832	5.6
176.39050	1.3
181.10039	2.3
183.11688	4.9
185.13213	10.0
187.14836	6.1
189.16351	1.8
195.11699	4.0
197.13307	5.4
199.14824	5.8
201.16315	3.1
209.13263	2.7
211.14848	2.9
213.16377	3.3
215.17949	2.3
219.15337	1.7
223.14886	2.0
225.16426	2.5
229.19568	2.0
231.21057	1.9
239.18016	2.6
241.19611	7.4
257.19034	3.3
259.20554	17.8
261.22116	3.1
277.21738	1.7
311.23660	1.8
315.23199	1.4
325.25101	1.7
333.24103	9.9
335.25775	17.9
337.27539	2.7
337.47198	1.2
339.27075	1.3
341.28333	1.3
353.28461	1.8
519.41797	5.6
537.43341	3.0
541.38940	1.9
593.45667	9.6
611.46649	100.0
612.46722	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Cyanin
Peak:m/z	Relative Intensity
52.47479	0.1
55.80993	0.1
57.03429	0.4
59.40403	0.1
60.69236	0.2
61.02927	2.7
68.99784	0.4
69.03423	1.1
71.04986	0.3
71.59473	0.3
73.02914	0.8
81.03398	0.5
85.02903	4.7
91.03952	2.0
91.05470	0.2
97.02882	1.8
99.04454	0.3
109.02876	0.6
111.00806	0.4
121.02877	1.4
123.04452	0.2
127.03931	0.9
133.02870	0.4
135.04405	0.7
137.02321	0.6
139.03821	0.2
143.04730	0.2
145.04947	0.7
147.04419	0.7
151.04047	0.2
153.01837	3.1
153.03009	0.2
157.06633	0.2
163.03915	0.2
163.06049	0.4
165.01848	1.1
171.02971	0.2
171.04425	0.2
183.02888	0.5
185.05952	0.3
213.05406	0.8
229.04924	0.2
231.06329	0.4
241.04967	0.7
258.05197	0.7
259.05981	0.4
269.04431	0.3
285.00607	0.2
287.05490	100.0
288.05795	1.4
303.05017	1.0
311.05353	0.2
329.06650	0.3
390.67007	0.2
433.11710	0.2
449.10806	13.6
450.11453	0.2
611.20276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2861
Annotation	Humilinolide C
Peak:m/z	Relative Intensity
55.05510	1.0
57.07066	0.5
61.09196	0.5
63.46968	0.5
67.05506	2.9
69.07068	1.1
69.51140	3.9
70.35811	0.5
77.95624	0.4
79.05492	2.1
81.07040	2.9
91.05473	1.5
93.07026	2.3
94.07536	0.5
95.04971	1.1
95.08595	1.4
98.20718	0.5
105.07023	0.8
107.08564	1.6
109.10168	0.8
117.06985	0.5
119.08582	1.0
121.10120	0.9
131.08594	0.9
133.10092	0.5
133.28429	0.5
135.11665	0.5
145.10130	0.9
157.10175	0.6
183.11795	0.5
197.98369	0.5
262.26636	0.6
262.43735	0.5
269.06735	0.5
316.56152	0.5
377.17551	0.6
391.19232	1.3
393.20654	1.0
403.19604	0.6
405.17197	1.7
406.17496	0.8
407.22742	3.4
418.17685	1.1
419.13635	0.5
419.17865	3.0
419.23337	0.9
420.19470	1.7
421.20248	2.3
422.21210	0.7
423.21811	1.9
432.19598	0.8
433.20081	8.4
434.21045	2.0
435.17596	2.2
435.21915	4.2
436.18530	0.9
437.23419	3.3
438.24347	1.0
446.21265	1.4
447.21808	1.6
449.19299	4.2
450.20645	2.2
451.21164	2.9
463.20898	4.0
464.21979	8.9
465.22827	7.5
477.23218	2.4
478.23349	0.8
491.24448	1.4
493.22073	0.9
509.21823	1.9
521.25647	6.2
523.27423	0.6
551.26526	22.5
552.26886	1.0
579.26080	0.9
581.27478	1.4
583.29156	0.7
593.27625	0.9
611.28589	100.0
612.28772	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	611.16
Annotation	Quercetin-3-O-beta-glucopyranosyl-7-O-alpha-rhamnopyranoside
Peak:m/z	Relative Intensity
53.65607	0.5
57.03423	2.3
63.68855	0.4
69.55054	1.4
69.55479	3.1
71.04987	20.0
73.02896	0.7
85.02898	20.9
87.04464	0.7
93.03363	0.5
102.18488	0.5
109.78699	0.5
111.00739	0.8
121.02876	1.1
129.05455	5.8
137.02341	3.2
147.06451	1.2
153.01814	3.1
163.03912	0.6
165.01836	1.4
176.45668	0.6
183.02998	0.8
184.63083	0.5
201.05545	1.1
217.43892	0.5
229.04987	2.8
239.58081	0.5
247.06096	0.6
257.04449	1.9
260.02878	0.6
285.03900	1.3
287.05496	17.9
303.04962	100.0
304.05304	1.5
345.05887	0.6
449.10663	1.6
465.10291	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	611.1603
Annotation	Cyanin
Peak:m/z	Relative Intensity
56.96527	0.1
57.03429	0.4
60.99287	0.1
61.02922	4.2
68.73032	0.2
68.99805	0.3
69.03420	0.8
71.04980	0.3
71.08932	0.5
73.02920	0.7
74.62099	0.1
76.86742	0.1
81.03400	0.5
85.02901	3.3
85.03418	0.2
85.62783	0.1
91.03951	2.2
97.02891	2.2
99.04455	0.2
105.03342	0.4
107.04954	0.4
107.23621	0.2
109.02845	0.4
111.00800	0.7
115.03844	0.2
116.98607	0.2
118.35041	0.1
121.02856	2.2
123.04407	0.5
127.03926	0.9
133.02831	0.5
135.04453	0.3
136.35101	0.1
137.02339	0.7
139.03900	0.4
145.02687	0.2
145.04924	0.5
145.06458	0.2
147.04430	0.8
151.03819	0.2
153.01820	3.1
157.06512	0.2
163.03905	0.2
165.01833	1.4
171.04414	0.2
183.02878	0.6
185.06006	0.2
197.05853	0.2
213.05429	1.0
231.06581	0.8
240.58028	0.2
241.04913	1.2
247.05966	0.2
258.05179	0.9
259.06003	0.5
269.04382	0.2
271.05933	0.2
273.03815	0.2
286.04462	0.2
287.05475	100.0
288.05780	1.1
289.06931	0.2
303.04922	0.9
329.06638	0.2
449.10764	7.2
492.62738	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47479	0.1
55.80993	0.1
57.03429	0.4
59.40403	0.1
60.69236	0.2
61.02927	2.7
68.99784	0.4
69.03423	1.1
71.04986	0.3
71.59473	0.3
73.02914	0.8
81.03398	0.5
85.02903	4.7
91.03952	2.0
91.05470	0.2
97.02882	1.8
99.04454	0.3
109.02876	0.6
111.00806	0.4
121.02877	1.4
123.04452	0.2
127.03931	0.9
133.02870	0.4
135.04405	0.7
137.02321	0.6
139.03821	0.2
143.04730	0.2
145.04947	0.7
147.04419	0.7
151.04047	0.2
153.01837	3.1
153.03009	0.2
157.06633	0.2
163.03915	0.2
163.06049	0.4
165.01848	1.1
171.02971	0.2
171.04425	0.2
183.02888	0.5
185.05952	0.3
213.05406	0.8
229.04924	0.2
231.06329	0.4
241.04967	0.7
258.05197	0.7
259.05981	0.4
269.04431	0.3
285.00607	0.2
287.05490	100.0
288.05795	1.4
303.05017	1.0
311.05353	0.2
329.06650	0.3
390.67007	0.2
433.11710	0.2
449.10806	13.6
450.11453	0.2
611.20276	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.16
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.2
59.14974	0.4
59.82246	0.4
70.64877	1.5
71.04987	16.3
73.02902	1.5
75.04456	0.4
83.04964	0.8
85.02903	14.3
95.60560	0.4
97.02880	0.4
98.20807	0.4
99.04430	0.5
108.91756	0.4
111.00783	0.6
114.95182	0.3
121.02870	1.1
129.05469	3.7
137.02313	3.1
147.04536	0.4
147.06467	0.9
149.02341	0.5
153.01768	3.1
159.39728	0.4
163.03850	0.6
165.01808	2.3
177.05621	0.5
177.40671	0.5
183.02916	0.8
201.05501	1.3
229.04970	3.4
257.04416	2.9
274.04523	0.4
285.03848	1.1
287.05603	1.6
303.04971	100.0
304.05380	1.6
315.04947	0.5
317.06497	0.9
345.06039	0.7
447.09213	1.2
449.10559	2.1
465.10254	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	611.1601
Annotation	Camelliaside C
Peak:m/z	Relative Intensity
53.03938	0.4
57.03429	0.4
60.94032	0.3
61.02920	3.4
61.34602	0.3
68.19950	0.2
68.99793	0.3
69.03437	1.5
69.43831	1.4
69.44258	1.1
71.04981	0.9
73.02889	1.3
81.03395	0.9
85.02897	7.9
91.03945	3.2
97.02886	2.6
97.19563	0.3
99.04427	0.6
99.83630	0.2
106.87798	0.3
107.04889	0.3
109.02853	0.6
109.07825	0.3
111.00824	0.4
121.02864	2.7
127.03899	1.7
133.02802	0.3
135.04448	0.5
137.02307	0.4
138.85678	0.2
140.04312	0.2
145.04985	1.6
147.04395	0.8
153.01826	3.5
163.06046	0.7
165.01825	1.7
171.02856	0.3
179.03421	0.3
183.02831	0.4
213.05466	0.7
231.06418	0.4
232.51465	0.3
241.04825	0.4
258.05173	0.8
286.04791	0.4
287.05472	100.0
288.05835	2.5
299.05536	3.4
300.06183	0.4
303.04950	2.4
304.05270	0.3
311.05527	0.9
325.07037	1.0
329.06473	4.4
339.08591	0.4
353.06552	3.0
365.06549	0.5
383.07617	0.8
395.07489	0.6
413.08563	1.1
422.48398	0.3
431.09540	1.3
449.10751	18.2
450.11044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1597
Annotation	Rutin
Peak:m/z	Relative Intensity
53.20100	0.5
57.03416	2.1
58.90127	0.5
61.36375	0.5
64.72414	0.4
69.90363	1.2
69.90780	1.7
71.04988	15.4
73.02912	1.5
85.02901	16.1
87.04436	0.9
111.00768	0.8
111.04465	0.5
118.52261	0.5
127.03972	0.6
129.05478	3.0
137.02345	2.2
153.01799	2.3
165.01820	0.9
183.02878	1.1
187.03868	0.5
193.28654	0.5
201.05417	1.6
214.08588	0.6
222.56677	0.6
229.04933	2.7
257.04343	2.4
285.04028	1.4
287.05463	1.2
303.04971	100.0
304.05365	1.4
315.05197	0.7
345.05930	0.8
447.09088	1.2
449.10730	2.0
465.10287	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1597
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03932	0.5
53.34774	0.3
57.03431	2.4
58.49952	0.2
61.02914	0.3
68.99801	0.4
69.03410	0.5
69.78537	1.6
71.04988	17.2
75.04459	0.8
75.60381	0.2
81.03438	0.3
83.04984	0.6
85.02896	19.0
87.04466	0.5
87.54060	0.3
97.02870	0.7
98.20821	0.4
99.04478	0.3
111.00817	0.7
111.04414	0.6
121.02849	0.9
127.03917	0.6
129.05464	5.8
137.02325	3.0
145.04988	0.4
147.06496	1.5
149.02242	0.5
153.01817	3.0
162.08521	0.3
163.03922	0.6
165.01794	1.6
166.02536	0.4
173.05980	0.3
183.02872	0.6
187.03984	0.4
201.05502	1.4
229.04951	3.7
239.18111	0.3
247.06009	0.7
257.04419	2.3
274.04776	1.1
285.03873	1.6
289.77057	0.3
303.04959	100.0
304.05334	1.5
315.04892	0.4
327.04855	0.3
333.44952	0.3
345.05975	1.0
413.08667	0.6
449.10843	0.9
465.10251	18.6
598.53400	0.3
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
50.01595	0.4
50.47500	0.4
53.03938	1.4
55.01860	2.0
55.05506	18.6
57.03426	4.3
57.07074	2.8
65.03931	1.4
66.10069	0.3
67.05499	28.4
69.03431	1.0
69.07060	15.0
71.04980	1.8
71.08623	1.1
77.03941	0.4
79.05484	19.7
81.03424	0.6
81.07050	29.0
82.07340	0.5
83.04969	1.9
83.08612	8.1
85.06538	1.7
89.06037	0.4
91.03821	0.4
91.04895	0.5
91.05470	15.8
93.07037	19.9
95.04967	3.2
95.08598	22.7
97.06520	2.4
97.10162	4.6
98.20718	1.4
99.08089	1.2
103.05457	0.6
104.02456	0.4
105.07024	16.0
106.07333	0.6
107.04939	0.7
107.08588	13.9
109.06490	1.6
109.10138	9.4
111.08080	1.4
111.11691	0.7
113.09562	0.4
115.05453	1.5
116.06236	0.6
117.07007	10.3
119.08569	15.6
121.10133	9.0
123.08073	1.7
123.11678	2.7
125.09644	1.3
128.06198	3.1
129.06039	0.4
129.06305	0.2
129.06992	13.0
130.07793	1.3
131.08556	16.1
133.10118	12.5
135.08098	0.6
135.11688	5.0
137.09613	0.9
137.13240	1.2
139.11179	0.8
141.06981	6.8
142.07788	2.7
143.08553	18.8
144.09293	0.5
145.10114	15.7
147.11681	5.9
149.09575	0.4
149.13187	2.1
151.11165	0.6
153.06956	2.0
154.07735	2.0
155.08537	15.4
156.09343	1.8
157.10112	16.1
158.10838	0.7
159.11678	11.3
161.13248	4.2
163.14838	1.4
165.06966	1.5
166.07782	0.9
167.08559	7.2
168.09306	2.3
169.10120	20.3
170.10858	1.4
171.08139	0.8
171.11668	13.9
173.13242	6.6
175.11281	0.6
175.14828	2.7
177.16309	0.5
179.08501	3.1
180.09325	1.5
181.10100	10.0
182.10854	2.1
183.11682	19.1
184.12300	0.8
185.11620	0.7
185.13249	12.0
187.14784	4.7
189.16393	1.6
191.18088	0.5
192.09407	0.7
193.10130	3.7
194.10892	0.9
195.11676	11.7
195.13377	0.9
196.12407	1.5
196.67966	0.5
197.13248	13.8
197.14990	0.9
198.13943	0.6
199.13191	0.7
199.14799	6.5
201.12762	0.6
201.16422	2.4
205.10185	1.5
205.16020	0.5
206.10887	0.9
207.11676	3.6
208.12346	1.0
209.13225	9.5
209.15054	0.7
210.14024	0.6
211.14813	9.3
212.15436	0.4
213.14764	0.4
213.16429	4.8
215.17982	0.9
217.10204	0.5
219.11742	1.0
219.17519	0.4
221.13237	3.4
222.13998	1.2
223.14792	7.4
224.15434	0.5
225.16316	6.7
227.18002	3.9
229.19562	0.4
233.13315	1.5
235.14751	3.4
237.16385	5.2
239.17996	3.5
241.19820	2.2
245.18933	0.5
247.14920	1.3
249.16379	2.8
251.17984	2.8
253.19554	2.8
255.21329	0.9
257.19043	0.7
261.16360	0.6
263.17877	1.4
265.19601	2.2
267.21201	1.2
275.20081	0.7
277.19611	1.1
277.30978	0.4
279.21109	1.4
281.18936	0.6
281.22662	0.9
283.20599	0.5
285.18762	0.7
285.22000	0.6
291.20920	0.6
293.19037	0.9
293.22495	1.1
295.20667	0.6
297.18774	0.5
297.22104	0.6
299.23608	0.5
305.22766	0.8
307.20541	0.8
307.23993	0.6
309.22232	0.8
311.23709	0.8
313.21658	1.1
319.24261	0.5
321.22079	1.2
321.25751	0.7
323.23679	1.5
325.21637	0.9
325.25067	0.9
327.23334	0.8
333.22238	0.7
335.23633	1.8
337.25299	1.9
339.23206	0.9
339.26895	1.0
341.24683	0.7
347.23431	0.7
349.25171	1.0
351.22949	0.7
351.26965	2.3
353.24704	1.2
353.28595	0.6
355.26428	1.2
361.25165	0.9
361.29047	0.7
363.26791	1.6
365.28323	1.7
367.26361	0.9
377.28369	0.7
379.25827	0.9
379.29984	1.6
381.27771	1.2
385.27185	0.5
391.30066	1.0
393.27374	0.9
393.31711	1.1
395.29239	0.6
401.28149	0.5
405.31732	0.9
407.29037	0.6
409.30652	0.6
417.31506	0.5
421.30786	1.0
423.32990	0.6
425.30704	0.6
429.31729	0.7
431.32953	0.6
433.30753	1.0
435.32605	0.9
439.32132	0.6
447.32379	1.5
449.34036	0.7
459.31754	0.6
461.34195	1.4
465.33704	0.5
473.32855	0.6
499.39606	2.4
501.35974	0.8
515.38409	0.6
517.40411	16.5
518.40894	0.5
521.36554	1.2
521.64856	0.4
523.38281	0.4
535.41541	9.1
539.37463	1.6
540.38055	0.7
541.39154	0.6
549.24878	0.5
553.42041	1.6
555.41846	0.9
567.40686	0.5
573.43146	3.3
591.44061	15.4
609.27539	2.8
609.45062	100.0
610.27698	0.5
610.45490	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4508
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03944	1.8
54.78032	1.2
55.01889	1.1
55.05512	16.0
57.03426	4.5
57.07067	3.3
67.05161	1.9
67.05502	23.1
69.07066	9.5
71.05013	1.7
79.05485	15.8
81.07055	24.2
83.08602	6.1
91.05473	12.6
93.07045	15.0
95.08604	22.6
97.10155	3.2
105.07027	13.1
107.08590	10.4
109.10145	6.5
111.60547	1.0
117.07021	8.5
119.08582	14.3
121.10155	7.2
123.11723	3.1
125.09623	1.2
128.06247	2.7
129.06995	8.0
131.08548	11.7
133.10139	10.8
135.11716	4.0
139.23489	1.1
141.06973	5.5
142.07773	2.4
143.08559	14.3
145.10126	13.2
147.11694	4.9
148.18623	1.0
149.13255	1.8
153.06973	1.5
154.07681	1.9
155.08553	11.2
156.09404	2.2
157.10123	15.4
159.11676	8.2
160.64886	1.1
161.13266	4.4
165.07051	1.4
167.08597	5.4
168.09358	2.4
169.10086	13.1
171.11685	11.9
173.13263	7.4
175.14890	2.1
179.08551	1.3
180.09476	1.1
181.10129	10.0
182.10977	1.9
183.11694	15.7
183.13211	1.3
185.13220	7.8
187.14824	3.4
193.10146	4.5
195.11681	10.4
196.12399	1.3
197.13260	10.6
199.14883	5.3
201.16374	2.3
207.11768	3.0
209.13283	7.2
211.14798	7.9
212.42419	1.0
213.16354	2.7
221.13290	2.4
223.14803	7.4
225.16371	5.6
227.17987	2.0
229.82466	1.3
235.14871	2.6
237.16417	3.3
239.18053	3.3
241.19740	1.4
249.16347	1.3
251.18062	3.0
253.19560	1.9
257.18887	1.2
263.17923	1.6
265.19583	2.2
267.20966	1.5
275.20154	1.6
279.20987	1.3
293.22739	1.3
309.22104	1.7
335.23575	2.4
339.23206	1.6
351.27051	2.3
365.28613	1.8
379.29904	1.6
499.39355	2.2
517.40332	14.2
535.41522	8.8
539.37445	1.8
573.43066	2.7
591.44135	14.3
609.45111	100.0
610.45190	3.3
631.25842	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99607	1.5
53.03952	9.2
55.01866	8.7
55.05508	27.8
57.03436	11.8
57.07051	1.9
60.41378	1.4
61.02908	4.1
62.09940	1.3
65.03939	3.8
67.05502	62.5
69.03431	20.3
69.07069	16.2
71.01323	3.4
71.04976	7.9
71.43085	2.2
74.08555	1.4
79.05138	1.2
79.05486	58.4
81.03413	100.0
81.07056	46.8
83.04977	23.9
83.08608	19.0
85.02903	19.8
85.06528	4.7
91.05471	44.6
93.07036	55.1
95.04968	31.4
95.08592	14.1
97.02886	21.0
97.06525	15.0
97.10166	14.5
99.04451	6.3
99.08107	2.5
103.05443	2.9
105.07020	25.7
107.04961	10.6
107.08591	32.5
109.02870	18.6
109.06505	8.7
109.10160	12.8
111.04445	15.3
111.08063	9.4
115.05442	3.7
117.07020	10.6
119.04967	2.1
119.08576	18.9
121.06494	7.8
121.10130	14.1
123.08051	3.7
123.11722	2.6
125.05972	1.9
125.09636	5.2
127.03912	12.2
128.06187	2.2
129.05521	1.7
129.07016	10.4
131.08568	12.4
133.06471	5.9
133.10112	11.0
135.08041	3.2
135.11685	30.8
137.09634	2.7
141.06972	1.8
143.08588	4.1
145.06526	6.4
145.10135	9.7
147.04466	3.3
147.08032	4.9
147.11679	14.1
149.09615	5.6
153.01701	1.6
153.12703	3.9
155.08578	4.1
157.10098	10.2
159.08020	3.0
159.11751	3.7
161.09656	3.0
163.11160	15.1
165.12779	4.5
171.11708	3.1
173.09630	2.6
173.13173	1.8
175.11205	12.3
179.10675	1.6
181.12242	12.9
185.13284	2.5
189.11296	3.7
191.10669	4.3
193.12259	27.2
195.13875	1.7
197.13264	1.9
199.11238	1.7
205.23149	1.5
209.11778	2.0
211.13274	54.3
211.15254	2.7
213.12915	1.9
219.13913	1.7
221.15436	2.1
227.12730	10.0
229.14284	2.0
239.16280	2.3
249.14919	1.6
253.14618	1.7
255.15836	10.6
257.15561	1.9
261.14700	2.1
267.15872	5.8
283.15573	2.6
285.17010	5.1
291.19525	1.9
301.14157	1.5
325.16504	4.1
337.16327	2.5
337.21866	2.4
355.17633	9.0
355.22791	4.6
363.17935	1.7
373.23792	3.1
381.19028	3.5
403.24704	2.4
411.20239	5.6
419.27835	2.0
421.25861	2.8
429.26471	6.2
447.27368	25.5
463.27121	1.8
465.28400	15.3
555.29175	2.9
573.31360	2.5
591.31622	6.2
609.32709	82.3
610.33051	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	13.2
55.01857	8.0
55.05503	30.4
57.03419	12.5
61.02903	3.1
65.03941	4.9
67.05498	59.6
69.03419	25.3
69.07063	21.4
71.01334	3.9
71.04974	10.8
71.59486	6.7
79.05478	60.9
81.03410	100.0
81.07050	52.1
83.04966	22.7
83.08607	16.3
85.02901	23.0
85.06531	10.2
91.03944	5.9
91.05476	44.0
93.07034	61.1
95.04960	28.0
95.08588	23.3
97.02883	27.6
97.06510	15.6
97.10148	9.5
99.04430	7.9
99.08054	4.3
103.05441	5.1
105.07032	30.0
107.04918	11.9
107.08578	36.8
109.02884	20.7
109.06479	9.6
109.10120	10.4
111.04454	15.3
111.08071	11.3
113.17070	3.2
115.05399	3.6
116.09068	3.3
117.07009	12.0
119.08564	21.6
121.06487	4.4
121.10113	21.2
123.08055	6.4
123.11660	3.6
123.88597	2.8
125.09643	6.5
127.03908	18.3
129.06984	10.0
131.04889	5.7
131.08574	14.3
133.06433	4.5
133.10106	16.0
135.08015	3.4
135.11673	36.4
140.10669	6.8
142.07823	3.4
143.08534	5.4
145.06477	3.1
145.10085	14.8
147.04398	4.0
147.07983	4.8
147.11682	15.2
149.09605	5.0
151.11096	3.6
153.01826	4.9
153.12697	4.1
157.10109	9.6
161.09616	3.8
163.11195	13.9
165.12753	4.0
169.09970	3.1
173.09593	4.3
175.11150	8.9
181.12216	12.5
189.11240	6.6
191.10555	6.3
193.12206	29.0
211.13257	53.7
227.12733	10.4
227.21498	3.3
229.14288	4.7
255.15958	16.8
267.09259	3.5
267.15924	12.7
283.15283	4.4
285.10110	4.8
285.16840	9.1
325.16327	4.9
337.16351	6.9
344.96567	3.4
355.17429	9.7
355.22473	3.0
411.19943	4.6
411.33322	4.6
429.26447	5.0
429.33682	4.9
447.27408	20.5
465.28668	20.0
591.31372	8.3
609.32690	77.5
610.32306	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	609.2704
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
53.03942	0.6
55.01864	0.5
55.05510	2.6
57.03434	0.8
57.07071	0.4
65.03926	0.3
67.05502	7.3
69.07066	2.4
69.43415	2.4
71.04974	0.4
79.05490	6.9
81.07053	6.2
83.04991	0.6
83.08620	1.0
85.06517	0.3
89.46214	0.3
91.05474	4.6
93.07043	6.2
95.04964	1.1
95.08598	4.8
97.06548	0.6
97.10178	0.9
99.08047	0.3
105.07023	4.7
107.04973	0.8
107.08585	4.7
109.06502	0.4
109.10153	2.2
111.08079	0.3
117.07015	1.8
119.08562	3.4
121.10152	2.2
122.84785	0.3
123.11723	0.6
125.09657	0.3
128.06232	0.5
128.41199	0.3
129.06982	1.3
130.07806	0.3
131.08572	3.4
133.10123	2.9
135.08112	0.3
135.11697	1.4
137.09610	0.4
141.06967	0.9
142.07759	0.4
143.08562	2.5
145.10117	4.7
147.11690	1.9
149.09631	0.7
149.13290	0.9
155.08586	1.2
157.10068	1.8
159.11707	2.2
161.13266	0.8
166.12773	0.3
167.08562	0.6
168.09386	0.3
169.10097	2.0
171.11687	1.7
173.13264	1.1
179.14297	0.8
181.10173	0.8
183.11685	1.6
184.61737	0.3
185.13275	1.2
187.14833	0.4
195.11691	1.0
197.13219	1.8
199.14833	0.7
201.16342	0.3
209.13321	0.6
211.14815	0.7
213.16377	0.9
219.17485	0.4
221.13287	0.4
223.12221	0.3
223.14841	0.5
225.16412	0.5
229.19492	0.4
237.14047	0.4
237.16406	0.5
239.18022	0.6
257.19064	1.6
257.90137	0.3
275.20029	4.8
293.21173	0.4
331.22742	0.6
335.25821	0.9
375.16119	0.6
377.17770	0.7
388.16934	0.4
389.17773	1.2
390.18719	0.4
391.19180	1.2
392.20081	0.7
401.17911	0.7
403.19574	1.9
404.20090	0.8
405.21127	2.4
406.21509	0.6
407.22217	1.3
414.19229	0.3
415.19223	1.1
416.20309	0.5
417.17050	1.6
417.20996	1.3
418.17816	0.9
418.22452	0.5
419.17648	0.5
419.19403	0.6
419.22876	3.1
420.23306	1.0
421.24271	0.4
429.16495	0.4
429.21225	0.5
430.12787	0.3
430.17273	1.6
431.17743	2.5
432.19458	1.2
433.20169	7.2
434.20804	0.7
435.22064	0.6
443.18488	1.6
444.19003	2.1
445.19812	3.8
446.21161	2.9
447.21924	5.0
448.23123	1.4
449.23669	0.5
457.20154	0.4
458.21002	5.9
459.21664	4.1
459.27133	0.3
460.22919	3.5
461.19769	0.9
462.24506	0.4
463.20941	2.7
472.22461	0.5
473.23450	0.8
475.21152	1.1
476.21872	0.8
477.22845	1.4
479.24649	0.4
485.23703	0.3
488.22284	0.4
489.19223	0.6
490.23477	0.9
491.20627	0.5
503.24951	0.9
511.37634	0.4
516.21661	0.7
517.22388	1.2
517.40723	0.9
518.23334	2.7
519.23962	9.5
520.24091	0.3
521.22382	2.2
521.24878	2.2
531.23975	1.1
532.24860	1.2
535.23376	0.8
535.41333	0.9
549.24872	4.2
573.25195	0.4
591.25995	11.2
591.44238	1.1
609.27008	100.0
609.43622	13.6
610.27484	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	609.2703
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01853	1.9
55.05507	6.4
56.77534	0.5
57.03436	0.9
57.07079	0.6
65.03934	1.0
67.05497	14.3
69.03422	0.6
69.07068	6.7
69.27346	5.8
73.66989	0.5
79.05486	14.5
81.03388	0.7
81.07048	13.4
83.04999	0.8
83.08624	2.4
85.06528	0.7
91.05476	12.4
93.02339	0.6
93.07034	12.6
95.04971	3.1
95.08601	11.4
97.06535	2.6
97.10140	1.0
97.23661	0.5
98.21529	1.1
99.68053	0.5
103.74709	0.6
105.07026	10.7
107.04957	1.6
107.08587	8.9
109.06540	0.8
109.10148	4.0
111.08073	0.8
115.05450	0.6
117.07011	4.9
119.08578	8.7
121.06542	0.7
121.10137	7.1
123.08036	0.7
123.11671	1.0
125.09589	0.8
129.06993	2.0
131.08553	5.6
133.10123	5.8
135.11690	3.6
141.06964	0.6
142.07777	0.7
143.08563	3.0
145.10126	10.2
147.11693	4.1
149.09570	2.9
149.13243	1.7
155.08598	1.7
157.10104	2.8
159.11690	4.8
160.84802	0.5
161.13264	2.4
163.11214	2.3
169.10124	1.9
171.11731	2.4
173.13252	1.9
179.14272	1.2
181.10132	0.9
183.11726	2.0
185.13281	1.8
187.14973	0.7
197.13304	1.8
199.14764	0.8
209.13364	0.8
211.14790	0.7
222.11440	0.8
229.19507	1.2
239.15466	0.7
239.18036	1.7
251.15460	0.7
257.18967	4.3
261.22144	1.3
275.20032	10.2
293.21194	1.3
313.21689	0.9
331.22577	1.4
335.25955	2.2
375.16510	0.8
377.17880	1.4
389.18646	1.3
390.18613	0.9
391.19131	2.6
392.20367	1.4
400.16913	0.7
401.17780	1.3
402.19000	0.7
403.19769	0.8
405.20801	4.4
406.21597	2.5
407.22229	3.9
408.22897	0.6
413.17358	1.1
415.19077	3.7
417.20999	0.9
417.47760	0.6
419.18332	1.4
419.23114	1.1
421.23853	5.8
422.24658	0.8
427.19275	1.3
428.20251	0.7
429.20816	3.7
430.21927	1.4
431.18259	1.1
432.19043	1.3
433.15762	1.3
433.24872	1.0
435.21555	1.0
443.22690	1.0
444.23349	2.0
445.20349	1.9
446.21222	0.7
447.17303	3.3
448.18350	0.9
449.23419	1.3
451.21527	0.7
457.24304	3.8
459.21988	2.2
460.22672	1.7
461.19247	5.8
462.20428	2.7
463.21292	2.4
472.22928	2.0
473.19534	1.2
474.20480	2.1
475.20956	8.6
476.21619	7.4
477.22415	5.1
478.23517	1.0
479.24661	1.0
485.23602	10.2
486.19864	2.9
487.25839	1.0
488.22125	1.1
489.22849	6.8
493.22208	1.1
494.26852	0.8
499.21103	1.6
500.22220	1.7
503.24570	7.1
504.21832	1.1
507.24146	0.9
513.22858	1.4
515.24329	9.0
517.21820	1.3
517.40356	0.7
521.26483	2.7
531.23907	18.7
532.24713	0.9
535.23407	1.3
549.25183	2.8
550.25684	4.5
559.23303	10.5
563.27057	0.8
577.24261	1.5
591.26007	35.7
592.26294	1.0
609.27039	100.0
609.44507	22.4
610.27338	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	609.2702
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01860	0.7
55.05498	1.4
62.20520	0.7
64.44559	0.5
67.05502	4.4
69.07052	2.8
70.03780	1.4
70.04183	2.4
79.05487	3.9
81.07056	4.3
91.05473	3.2
93.07037	3.7
95.04974	1.2
95.08595	2.3
97.06505	0.7
100.66633	0.5
100.96106	0.5
105.07034	2.4
107.04898	0.7
107.08559	2.0
109.06545	0.6
109.10162	1.2
117.06951	1.1
119.08591	2.1
121.10110	1.1
129.06969	0.7
131.08551	1.9
133.10152	1.5
135.11668	1.2
143.08562	1.0
145.10165	1.9
147.11713	1.0
149.09575	0.8
159.11668	1.1
163.11217	1.2
169.10083	1.1
171.11794	1.2
173.13321	0.8
183.11873	0.8
195.11615	0.6
196.55597	0.6
237.13937	0.8
257.19217	1.3
275.19952	3.2
293.20975	0.7
376.17337	0.8
389.18231	1.2
390.18573	1.3
391.19296	1.9
392.20169	1.7
403.19669	1.0
405.20914	2.9
406.21478	2.7
407.22443	3.5
415.19247	2.1
421.23920	4.7
429.20883	2.2
430.21811	0.9
433.20258	1.4
447.17911	2.0
449.23492	1.1
457.24292	1.2
459.22000	2.4
460.22894	0.7
461.19046	4.9
462.20505	2.0
463.21475	2.0
472.22711	1.0
474.20874	1.1
475.21036	9.0
476.21698	5.0
477.22525	4.9
485.23483	6.3
486.20544	2.0
487.20959	0.9
488.22153	1.5
489.23096	4.9
493.26535	0.7
499.21457	4.1
500.21997	1.3
501.22467	0.8
502.23666	0.8
503.24377	7.2
504.25467	1.4
513.22809	1.3
515.24542	5.6
517.22382	2.2
518.22894	0.7
521.25989	3.3
531.23871	9.1
549.25073	1.7
550.25659	3.0
559.23230	5.5
563.26471	1.0
577.24530	2.2
591.26093	13.3
609.27032	100.0
609.44708	6.7
610.27368	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	609.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56836	0.3
67.05495	0.5
69.78689	0.7
69.79121	1.0
71.04990	0.5
79.05486	0.4
81.03410	0.6
81.07076	0.5
82.36921	0.2
85.02905	1.1
88.78091	0.3
90.21562	0.3
91.05477	0.4
93.07045	0.3
96.80892	0.3
97.02842	0.5
107.04962	0.3
107.08601	0.6
115.54405	0.3
119.04939	0.5
123.04459	0.3
137.06007	0.6
140.21489	0.3
143.85765	0.4
147.04430	0.9
153.01758	0.4
169.60304	0.3
177.05420	0.4
181.05016	1.2
206.66618	0.3
287.05261	0.3
301.07098	3.9
301.10660	0.6
303.04984	0.4
305.39859	0.3
316.40292	0.3
363.12000	1.1
367.11627	1.2
379.11615	1.6
381.13251	1.1
382.13867	2.1
383.14670	0.5
393.13251	0.3
394.13852	2.0
397.12552	3.6
411.13971	0.6
412.14938	8.4
412.20450	0.5
413.15540	1.7
425.15698	0.5
561.21069	0.4
579.21936	1.4
609.23041	100.0
610.23260	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	609.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58854	0.3
69.82165	0.5
69.82573	1.3
71.04982	0.8
80.20973	0.2
81.03410	0.4
85.02913	0.7
89.55154	0.2
91.05493	0.6
112.89827	0.2
119.04948	1.8
135.98152	0.3
137.05922	0.4
147.04405	8.1
153.01857	0.5
153.05446	0.3
167.07085	0.3
175.07777	0.2
176.04288	0.2
176.11430	0.2
181.04959	7.4
181.06512	0.5
184.03708	0.3
189.05226	0.3
192.70789	0.3
194.31966	0.3
197.22949	0.2
274.21338	0.2
294.29138	0.3
301.03864	0.4
301.07111	2.4
301.10733	4.2
302.07651	0.2
303.04944	0.4
314.08313	0.3
315.08691	0.8
356.62009	0.3
363.12100	1.0
364.12811	0.4
367.11682	0.7
379.11557	1.0
381.13095	0.7
382.13840	2.4
383.14853	0.7
393.13196	0.5
394.13873	2.3
397.12540	3.8
411.14255	0.7
412.14923	7.0
413.15616	1.3
463.11978	0.5
561.21051	0.6
579.22357	1.3
609.23035	100.0
610.23529	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.181
Annotation	Rhamnetin 3-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
55.08778	0.7
57.03440	3.8
61.02919	1.4
61.30301	0.7
67.05471	1.1
69.03447	2.0
69.53210	4.2
69.53635	1.8
71.04994	23.2
73.02914	1.7
81.03432	1.2
81.07041	1.8
83.04984	1.0
85.02907	26.7
85.03432	1.3
89.49450	0.7
91.05487	1.5
97.02866	1.5
98.20776	1.7
107.04929	1.5
119.04880	1.0
121.02862	3.6
125.02340	1.0
129.05492	5.4
137.02332	2.5
137.05917	0.9
147.04391	5.2
147.06535	1.3
150.43901	0.8
151.04082	0.9
153.01788	1.3
167.03362	4.9
179.03409	4.0
215.07059	1.2
227.07077	1.7
243.06650	2.0
271.06000	1.8
285.07550	0.9
286.04904	0.7
287.05719	1.0
299.05414	1.4
301.07071	100.0
302.07275	1.4
303.05017	3.6
317.06567	77.9
318.06866	1.3
343.04541	1.2
343.08264	1.0
445.11328	2.7
463.12384	46.1
464.12915	2.0
609.22394	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	608.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18629	3.5
56.49733	3.4
69.25490	10.5
69.25903	34.1
70.92327	3.6
79.31242	3.8
122.09280	4.1
208.43629	3.9
212.08098	4.2
266.28052	4.3
355.66644	4.1
366.25690	4.0
431.19107	5.1
475.21402	19.0
476.21970	13.8
477.22784	14.4
503.20206	7.6
533.22046	5.5
535.23120	13.0
536.23950	4.8
548.23627	10.1
549.24738	18.0
559.38434	4.2
565.24591	5.1
576.24054	7.1
579.22925	6.3
580.26025	5.1
593.23187	10.5
608.26135	100.0
609.26752	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	607.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
53.24260	0.7
55.01865	7.8
55.05256	1.4
55.05508	21.1
57.03423	3.0
57.07064	2.6
65.03922	3.6
66.34169	0.8
67.05500	48.4
69.03413	1.7
69.07061	28.8
70.85238	2.3
71.01379	0.7
71.04980	3.5
71.08608	0.7
71.87352	0.7
72.56175	0.7
77.03898	1.0
79.05488	42.4
81.03414	7.9
81.07050	50.5
83.04980	7.3
83.08617	8.8
85.06543	3.1
91.05472	58.5
93.07034	39.1
95.01314	6.8
95.04972	10.8
95.08598	35.7
95.09225	1.0
97.06522	14.3
97.10149	3.7
98.98476	1.0
99.08099	2.6
103.05468	2.1
105.04510	1.9
105.07023	67.4
107.04951	12.9
107.08586	23.2
109.06522	3.3
109.10152	11.6
111.04460	0.9
111.08069	2.6
115.05456	3.2
116.06196	0.9
117.07004	21.0
119.08571	38.6
121.06515	2.3
121.10136	11.1
123.04421	1.6
123.08074	2.6
123.11705	3.5
125.09641	3.1
128.06218	3.9
129.06982	13.0
129.07864	1.3
130.07762	3.0
131.08557	29.2
132.09222	1.1
133.06453	1.2
133.10118	31.5
135.08095	2.4
135.11681	9.3
137.09633	2.9
137.13255	1.2
139.07573	0.8
139.11203	1.2
141.06961	6.3
142.07808	3.9
143.08554	13.9
144.09300	0.8
145.06467	2.1
145.10112	22.6
147.08015	0.9
147.11678	19.1
149.09628	4.9
149.13235	4.5
151.11110	2.0
153.06960	1.8
154.07791	1.4
154.77946	0.8
155.08553	10.0
156.09370	1.7
157.10110	12.3
159.08032	1.6
159.11679	16.2
161.09625	2.2
161.13258	8.6
163.11125	3.6
163.14882	1.1
165.06987	2.7
165.09186	1.1
165.12740	0.8
166.07739	1.4
167.08543	7.7
168.09392	2.0
169.10135	11.4
170.10886	0.9
171.11656	11.6
173.09819	0.9
173.13251	8.2
175.11214	1.3
175.14812	1.9
177.12755	2.7
179.08578	3.1
179.14316	8.3
180.09424	1.2
181.10094	9.4
183.11700	11.1
185.13255	9.3
187.11206	2.9
187.14839	2.4
189.12701	1.0
193.10161	5.4
194.10927	1.5
195.11705	9.9
195.13536	1.1
197.13235	9.2
199.14793	3.7
201.12778	1.2
201.16463	1.5
203.14278	0.9
205.10175	2.0
205.12097	1.1
206.10889	1.2
207.11763	4.0
208.12477	1.2
209.13239	8.3
211.14818	6.4
213.16408	2.5
215.17976	0.9
217.19452	1.1
219.11632	1.9
219.17412	1.1
221.13321	3.1
223.14838	4.8
225.16469	2.4
233.13229	1.8
233.15395	1.7
235.14853	2.9
236.15567	1.2
237.16368	4.0
239.17978	3.2
241.19530	6.2
247.20728	1.3
249.16350	2.0
251.17976	2.5
257.18927	4.1
259.14771	0.8
259.20572	8.8
261.16309	1.6
263.18027	2.3
265.19617	1.8
267.21033	1.2
273.18680	1.5
275.20062	39.7
277.19284	1.0
279.17776	1.0
279.21011	1.9
293.21194	2.9
293.74380	0.8
297.22205	0.9
299.19977	0.9
315.23163	10.1
321.22162	1.8
323.23938	1.0
331.23105	1.1
339.23434	0.9
347.23569	0.8
349.23721	6.2
377.28632	1.4
391.30051	0.9
393.27164	0.9
435.32755	1.3
437.33826	0.9
438.06943	0.9
445.30920	1.3
463.31815	1.2
483.34750	2.2
497.37811	1.1
509.36172	2.4
515.38837	8.0
533.39948	4.2
538.36377	1.7
551.40833	4.5
557.03497	0.9
589.42657	5.7
607.35089	4.3
607.43500	100.0
608.43640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.2
53.46928	1.8
54.76176	1.7
55.01862	7.1
55.05510	30.8
56.05846	1.6
57.03432	11.3
57.07072	3.8
65.03951	5.1
67.05502	80.8
69.03428	17.3
69.06709	2.8
69.07064	29.3
69.55177	5.9
69.55598	7.5
71.01347	2.6
71.04996	9.0
72.88185	1.6
79.05488	58.2
81.03414	62.7
81.07053	100.0
83.04985	16.2
83.08613	19.2
85.02896	7.5
85.06534	5.7
91.05479	53.2
91.05929	1.6
93.07036	58.5
94.06447	1.7
94.45147	1.6
95.04961	16.9
95.08598	40.2
97.02898	13.5
97.06513	12.3
97.10163	5.3
98.54931	1.6
98.98454	2.5
99.04466	4.8
99.08076	4.1
103.05501	2.2
105.07025	33.3
107.04947	6.1
107.08588	37.4
109.02877	14.6
109.06521	8.4
109.10153	10.2
111.04445	7.9
111.08072	9.0
115.05439	4.2
117.07021	18.9
119.08566	20.9
121.06515	6.4
121.10133	20.7
123.08039	3.6
123.11719	9.0
127.03885	8.5
128.06256	3.0
129.05429	2.1
129.06985	11.1
131.04869	1.7
131.08560	26.0
133.06468	2.7
133.10107	20.8
134.21472	1.9
135.08047	4.3
135.11690	14.4
137.05994	2.0
139.11168	2.5
141.06940	2.9
142.07776	3.2
143.08566	12.9
145.06427	4.4
145.10136	11.4
147.04454	2.4
147.08041	2.2
147.11642	15.6
149.09621	3.5
149.13257	28.2
155.08549	9.4
157.10124	11.0
159.08061	4.4
159.11685	15.7
161.13226	5.4
165.06963	2.9
165.12752	6.0
167.08594	5.4
169.10158	9.5
171.11644	9.9
173.04463	3.1
173.09586	2.0
173.13264	5.3
177.12706	9.2
179.08505	2.4
181.10152	6.9
183.06514	2.0
183.11595	8.7
185.09579	1.9
185.13303	5.7
191.10611	1.9
193.10208	3.7
195.11758	5.9
195.13823	16.5
197.13252	5.6
199.14806	3.7
207.11781	2.1
209.13222	6.8
211.14850	4.5
213.12860	2.6
213.14671	3.2
213.16592	2.2
219.11751	3.2
219.13782	2.1
221.13301	4.4
223.14793	3.9
225.16457	2.2
231.13893	2.2
237.16251	1.8
249.14804	2.2
267.15942	7.0
269.17468	13.6
275.16495	2.5
275.19934	2.0
291.19711	1.8
297.16620	2.1
303.16006	3.9
321.16943	4.9
339.17908	15.1
371.26071	2.2
395.20605	9.7
435.32254	2.9
445.29553	6.7
463.30545	14.2
509.36060	6.9
515.38751	3.9
533.39618	5.0
571.32874	3.1
589.33667	7.9
589.42432	2.9
607.34442	92.9
607.43500	48.1
608.34961	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00660	1.7
53.03937	9.6
55.01865	7.9
55.05507	32.5
55.11876	1.7
57.03431	10.7
57.07065	3.6
61.20049	1.7
64.62933	1.7
65.03922	5.3
67.05498	78.3
69.03429	14.4
69.07063	27.9
71.04985	7.1
71.33484	3.4
73.02894	2.5
73.06573	1.7
79.05486	56.4
81.03412	51.2
81.07050	100.0
83.04970	15.6
83.08612	17.4
85.02885	4.7
85.06532	6.2
87.52918	1.6
91.05473	49.8
93.07038	65.0
95.04960	15.2
95.08599	42.7
97.02881	12.6
97.06512	12.0
97.10169	4.5
97.12695	1.6
97.14091	1.6
99.04456	4.5
99.08073	4.7
103.05477	2.0
105.07029	36.1
107.04935	6.6
107.08581	33.2
109.02881	13.5
109.06488	6.2
109.10165	7.7
111.04453	9.8
111.08083	5.1
115.05515	3.2
117.07024	14.7
119.08572	24.5
121.06498	5.1
121.10155	18.3
123.08086	4.2
123.11707	6.6
125.09576	2.3
127.03905	7.1
128.06219	5.5
129.06996	14.6
131.08554	24.1
133.06555	3.0
133.10104	16.5
135.08075	4.6
135.11702	11.6
139.11185	2.4
141.06969	5.0
142.07782	3.6
143.08562	12.4
145.06502	4.5
145.10112	15.1
147.07957	2.6
147.11670	16.3
149.09641	2.1
149.13237	21.1
151.11165	2.9
155.08524	11.1
157.06448	2.1
157.10089	10.7
159.08011	3.1
159.11707	18.3
161.09613	3.7
161.13210	3.8
163.11195	1.9
165.07109	1.8
165.12732	5.6
167.08600	8.6
169.10127	14.0
171.11684	8.2
173.04509	2.7
173.13228	5.9
177.12793	8.5
179.08557	5.2
180.09445	1.7
181.10120	7.1
182.10887	2.7
183.11639	9.4
185.13283	5.5
187.14830	2.7
193.10114	5.7
193.12091	1.8
195.11703	9.3
195.13799	12.1
197.13370	7.9
199.14783	4.7
201.16428	2.1
205.10172	2.0
206.11032	2.0
207.11665	5.1
209.13268	7.5
211.14792	2.7
213.14825	2.4
219.11734	2.9
221.13271	4.0
223.14792	4.3
225.16351	2.1
237.16432	3.6
239.18085	3.0
251.18054	2.6
253.18144	2.0
256.88382	1.7
267.15955	7.4
269.17447	10.6
275.20062	2.1
303.16025	4.2
315.23160	2.0
321.16971	3.3
339.18057	9.7
353.24850	2.0
371.25836	1.8
389.27512	1.7
391.29205	1.8
395.20486	6.0
395.33734	1.9
445.29620	6.2
463.30444	11.2
497.37897	1.9
509.36221	3.1
515.39056	8.8
533.39722	5.4
551.40668	2.4
589.33667	4.3
589.42236	6.3
607.24402	4.2
607.26721	2.9
607.34381	78.9
607.43445	59.7
608.35107	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	607.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04673	1.0
51.02375	1.2
53.03939	10.2
55.01868	7.3
55.05510	25.1
57.03439	7.0
57.07075	2.3
65.03931	3.7
67.05502	71.2
69.03428	23.8
69.07067	22.9
70.12833	1.5
70.73570	1.3
70.73919	4.2
71.01329	2.3
71.04987	7.7
79.05491	54.9
79.05960	2.7
81.03416	70.2
81.07054	100.0
83.04976	13.4
83.08613	17.5
85.02892	7.5
85.06547	5.1
91.04902	1.8
91.05478	41.4
93.07042	63.3
95.04972	13.6
95.08602	30.9
97.02882	14.0
97.06522	13.6
97.10174	3.2
99.04467	6.4
99.08082	3.1
103.05482	1.4
105.07025	22.8
107.04968	5.0
107.08592	35.1
109.02869	13.7
109.06522	7.6
109.10171	7.6
111.04401	9.2
111.08079	5.8
115.05427	1.7
117.07014	16.1
119.08567	10.0
120.17412	1.2
121.06517	4.8
121.10133	20.7
123.04456	1.3
123.08067	1.9
123.11707	6.6
127.03906	10.0
128.06201	2.3
129.07005	4.9
131.08565	17.2
133.06505	3.0
133.10124	13.8
135.04428	2.3
135.08032	2.9
135.11678	12.3
143.08568	3.3
145.05083	1.4
145.06453	2.5
145.10107	3.5
147.08057	2.3
147.11693	9.8
149.05994	2.0
149.09601	2.2
149.13255	28.4
149.14366	2.2
155.08560	2.0
157.10164	3.4
159.11687	15.6
161.13246	2.6
165.12770	5.9
169.10229	2.4
171.11552	2.0
173.04477	3.7
173.09685	1.9
173.13289	1.9
175.11115	2.3
177.12715	9.2
181.10127	1.6
183.06580	3.0
183.11752	1.9
185.13277	1.8
193.12219	2.0
195.12085	1.3
195.13817	24.6
195.15533	1.0
197.13191	1.8
201.12617	1.9
213.14896	4.6
219.13882	1.9
229.14279	1.8
233.15483	1.5
241.91052	1.5
251.16440	2.0
257.15411	1.4
267.15991	5.3
269.17499	11.5
275.16446	2.8
285.14780	2.5
297.17123	1.9
303.15854	4.4
314.03543	1.3
321.16974	4.6
339.18063	14.7
371.25952	2.0
377.19699	4.3
395.20773	13.1
445.29602	6.1
463.30441	16.3
530.66187	1.6
533.31458	2.6
565.92139	1.5
589.33600	3.9
607.34766	89.0
608.35474	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	607.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.8
55.01862	3.8
55.05509	23.9
57.03437	8.1
57.07053	2.1
65.03925	5.1
67.05500	67.0
69.03423	20.3
69.07064	22.7
69.34734	12.4
71.04977	8.9
73.02917	2.6
76.87423	1.2
79.05489	52.4
81.03414	69.2
81.07052	92.0
83.04983	15.8
83.08606	17.1
85.02910	9.7
85.06534	3.9
91.05476	42.3
93.07037	65.0
95.04967	13.3
95.08605	29.3
97.02878	12.0
97.06519	12.2
97.10164	2.7
98.20679	2.1
99.04453	4.3
99.08107	3.0
105.07026	20.1
105.77390	1.1
107.04967	6.4
107.08580	34.4
109.02873	13.0
109.06504	5.2
109.10165	6.4
111.04439	10.3
111.08060	6.5
115.05452	1.4
117.07011	14.5
119.08594	10.3
121.06519	5.7
121.10133	19.8
123.04411	1.9
123.08044	2.2
123.11686	5.1
127.03885	9.2
128.06241	1.5
129.07016	4.8
131.04961	1.9
131.08577	16.0
133.06483	3.8
133.10121	14.2
135.04352	1.4
135.08063	5.2
135.11682	11.7
137.05966	1.7
141.06985	1.8
143.08594	2.9
145.06494	2.5
145.10173	4.5
147.04407	1.7
147.08054	1.5
147.11678	13.6
149.06073	1.4
149.13246	27.7
151.11145	1.4
155.08559	3.4
157.10143	4.2
159.08067	1.7
159.11699	19.1
161.13326	1.2
163.11188	1.4
165.12784	5.0
167.14330	1.5
173.04431	3.6
173.09569	1.4
173.13216	1.8
177.12750	10.4
183.06511	3.0
183.11798	1.9
183.13817	1.4
185.13289	1.7
187.14795	1.1
193.12265	1.9
195.11934	2.1
195.13789	22.0
201.12686	1.5
213.14886	4.3
219.13864	1.6
231.13907	1.2
233.15398	1.4
251.16377	1.2
257.15405	1.5
261.15045	1.6
267.15964	5.6
269.17459	14.7
275.16431	2.5
285.14835	2.4
297.16974	1.7
303.15875	3.3
311.18716	1.7
321.16876	7.2
339.18073	19.3
353.24405	1.5
377.19632	3.8
379.37201	1.3
395.20636	18.0
395.25543	1.6
445.23541	1.4
445.29236	7.0
450.84149	1.4
463.30609	13.4
479.29758	2.1
529.31458	2.3
571.32910	2.2
589.33514	5.0
607.34735	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.2
55.01864	6.3
55.05257	1.6
55.05507	22.5
57.03443	8.1
57.07088	1.4
65.03936	3.3
67.05500	69.5
69.03423	18.8
69.06709	1.9
69.07061	22.4
71.01353	1.9
71.01722	1.0
71.04990	8.0
71.05578	2.5
73.02911	1.1
77.03902	1.5
79.05486	48.8
81.03413	68.9
81.07052	86.6
83.04980	15.7
83.08610	16.1
85.02895	8.3
85.06515	5.3
91.05472	36.2
93.07040	59.2
93.07526	0.9
93.57376	1.1
95.04963	14.9
95.08036	1.0
95.08597	27.2
97.02887	12.5
97.06519	13.5
97.10148	2.5
99.04449	5.4
99.08106	3.5
103.05460	1.2
105.04584	1.5
105.07030	24.5
107.04957	6.7
107.08584	29.7
108.63754	1.0
109.02881	13.2
109.06509	5.0
109.10147	5.1
111.04421	8.7
111.08119	6.6
113.09718	1.1
115.05415	1.6
117.07005	14.1
119.08569	12.9
121.06515	4.5
121.10130	18.3
123.04425	2.0
123.08061	2.8
123.11691	5.0
127.03912	9.2
129.05486	2.4
129.07011	5.9
131.04912	1.8
131.08554	14.5
133.06453	2.8
133.10117	10.6
135.08049	4.1
135.11688	9.7
137.05954	2.4
137.09572	1.2
139.07611	1.3
139.11252	1.8
141.06987	1.3
143.08577	2.5
145.06467	2.8
145.10129	4.1
147.08006	2.4
147.11684	11.9
149.09618	2.9
149.13255	27.4
151.11118	2.0
155.08525	1.8
157.10172	3.6
159.08025	1.7
159.11676	13.0
161.09752	1.2
163.07448	1.2
163.11201	1.5
165.12762	4.7
171.11668	2.2
173.04482	4.5
173.13269	2.0
173.34874	1.1
175.11208	1.6
177.12750	10.4
179.14201	1.1
183.06638	2.7
183.11668	1.3
185.13268	1.3
195.13794	21.1
213.13019	1.2
213.14793	5.7
219.13803	2.4
233.15305	1.8
249.14909	1.4
261.14838	1.6
267.15933	4.8
269.17471	16.2
273.14786	1.1
275.16397	2.3
285.14413	1.3
297.17081	1.6
303.15909	2.9
305.17480	1.6
321.16876	6.2
339.18011	13.8
371.25620	2.2
374.48816	1.1
377.19614	4.7
395.20569	13.7
415.71365	1.2
445.29440	6.0
463.30563	14.7
479.29269	1.2
571.32996	2.1
589.33466	7.5
607.34735	100.0
608.34521	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.1
55.01859	5.2
55.05509	23.4
57.03423	7.1
57.07067	3.6
60.29760	1.8
61.02909	2.5
65.03932	3.9
66.12939	1.8
67.05502	75.1
69.03429	17.5
69.07067	24.6
71.04985	5.6
71.60291	3.5
79.05486	48.5
81.03412	59.7
81.07053	100.0
83.04974	18.1
83.08620	14.2
85.02896	10.7
85.06542	2.7
87.74633	1.9
91.05476	43.2
93.07040	66.1
95.04959	16.5
95.08606	28.0
97.02883	11.9
97.06534	13.3
97.10172	2.9
99.04423	5.2
99.08111	3.5
105.07018	27.8
107.04958	4.9
107.08591	36.5
109.02879	12.9
109.06523	6.5
109.10130	9.8
111.04441	10.2
111.08055	6.8
115.05462	1.9
117.07011	15.5
119.08588	17.7
120.91882	1.7
121.06494	6.2
121.10130	19.1
123.04408	2.7
123.08029	2.7
123.11717	4.3
127.03902	9.2
128.06168	2.7
129.06987	8.5
131.04881	2.9
131.08563	20.7
133.06477	3.7
133.10133	18.2
135.08055	3.0
135.11674	9.2
138.13992	2.0
141.06981	5.5
142.07780	2.1
143.08549	6.2
145.06421	3.0
145.10110	8.4
147.08041	3.2
147.11687	10.6
149.13249	23.3
151.11105	3.0
155.08551	5.2
157.10121	8.3
159.08026	2.8
159.11694	17.1
163.11241	3.4
165.12772	4.4
169.10164	4.8
171.08096	2.0
171.11673	4.1
173.04495	3.6
173.13298	3.1
177.12737	8.2
181.10161	2.7
183.11617	3.1
183.64600	1.9
185.13194	2.2
193.12160	3.1
195.11920	3.3
195.13757	21.5
197.13341	2.4
201.12701	2.5
209.13367	2.0
213.14790	3.8
219.13777	1.9
223.14708	2.6
239.14340	2.7
267.15912	5.1
269.17450	11.8
285.14816	3.2
291.19754	2.2
297.16934	3.0
303.15927	4.0
321.16940	3.8
339.17944	15.5
350.90369	1.9
353.24695	2.7
377.19653	3.3
395.20480	8.8
403.19250	3.1
416.16165	2.2
417.21188	2.0
419.22351	4.5
431.18478	2.4
431.74017	1.9
445.20117	3.2
445.29364	20.9
447.21591	6.8
463.30524	12.6
487.30981	2.9
519.24310	8.8
547.23248	5.2
563.19067	2.0
571.32684	2.2
579.25555	3.7
589.33826	3.7
607.25153	60.4
607.34564	85.6
607.43762	7.1
608.25555	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	607.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.4
53.03949	7.9
53.64986	1.3
55.01862	6.0
55.05508	23.9
57.03434	8.3
57.07068	1.5
65.03930	4.2
67.05502	73.6
69.03426	17.7
69.07066	27.3
70.26266	4.1
71.04989	11.4
79.05488	48.4
79.64240	1.3
81.03413	68.8
81.07053	100.0
83.04970	16.3
83.08615	15.0
85.02903	8.5
85.06548	4.9
86.64505	1.2
87.04443	1.4
91.04896	1.6
91.05474	40.9
93.07037	62.0
95.04966	14.3
95.08601	30.9
97.02891	12.3
97.06511	12.9
97.10184	2.9
99.04449	5.1
99.08090	3.3
105.07025	29.2
107.04930	5.6
107.07864	2.2
107.08585	35.8
107.09285	2.3
109.02876	12.9
109.06484	6.6
109.10149	6.7
111.04427	7.6
111.08083	7.6
117.07015	16.8
119.08566	12.9
121.06506	5.8
121.10129	18.6
123.04449	3.1
123.08054	3.2
123.11723	6.4
125.09669	1.6
127.03919	11.0
127.07563	1.6
127.45655	1.2
128.06139	1.4
129.05457	2.0
129.07016	5.6
131.04863	1.6
131.08560	17.2
133.06503	3.5
133.10120	13.9
135.08078	3.9
135.11655	8.3
137.05974	1.8
139.11110	1.5
141.07002	2.8
143.08572	6.1
145.06506	3.2
145.10130	5.4
147.08136	2.4
147.11664	12.9
149.09619	2.4
149.13251	25.3
155.08580	4.5
157.10172	4.0
159.08051	3.0
159.11673	14.4
161.05904	1.6
161.13290	1.3
165.05489	1.5
165.12766	4.4
169.10109	2.7
171.08119	2.5
171.11702	3.4
173.04456	2.7
173.13289	3.6
175.11267	1.7
177.12720	8.0
179.14359	1.8
181.10130	2.6
183.06479	3.0
183.11722	2.8
185.13254	2.8
187.14757	1.6
195.08206	1.5
195.12053	1.9
195.13792	14.2
197.13393	3.2
207.11826	1.5
211.14825	2.4
213.14870	5.4
231.13730	1.6
233.15443	2.3
235.12546	1.5
235.14839	2.2
249.14821	1.5
253.17979	1.7
261.14807	2.2
267.15952	5.9
269.17459	15.6
275.16470	2.1
297.16968	2.4
303.15817	2.4
321.17133	5.3
339.17935	12.6
343.26059	1.8
353.24835	2.7
371.25760	2.7
377.19470	3.8
389.27023	2.5
395.20645	11.1
436.72562	1.7
445.29529	10.3
463.30508	14.4
514.32709	1.6
533.30579	1.6
553.31384	1.8
554.78406	1.6
589.33746	4.1
607.34711	94.2
607.43109	6.7
631.29639	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2906
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
65.66827	0.6
70.88882	1.4
74.07153	0.8
82.37123	0.6
86.72049	0.6
115.81149	0.7
152.10773	0.7
167.56442	0.8
174.62495	0.7
299.01840	0.7
316.75861	0.7
331.42654	0.8
403.19260	2.2
404.19870	0.7
405.20749	1.1
417.21411	0.9
418.21817	1.9
419.22342	1.9
431.18204	6.4
432.19296	1.3
433.23999	6.7
434.24490	0.9
445.19775	5.3
446.20920	3.5
447.21741	3.1
447.98077	0.7
459.21210	3.5
460.22519	12.9
461.23407	12.4
473.23373	2.9
474.23801	1.0
485.00476	0.7
487.25879	0.8
490.57663	0.8
505.21893	3.1
519.27002	2.5
532.08295	0.7
532.24805	1.0
533.25262	0.8
547.27008	27.3
548.27026	1.1
575.26990	0.9
579.29767	0.9
600.17438	0.7
607.29089	100.0
608.29529	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2908
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
54.13858	0.3
70.19949	1.4
73.77385	0.3
104.72132	0.3
119.55083	0.3
124.15834	0.3
136.53416	0.3
175.17325	0.3
178.49907	0.3
184.25124	0.3
235.12132	0.3
271.37646	0.3
347.14319	0.3
387.16037	0.8
388.16824	0.8
389.17502	1.2
390.18759	0.5
401.17731	1.3
402.18491	1.9
403.19141	4.7
404.19794	1.5
405.20645	2.0
415.19287	1.1
416.19879	1.8
417.16562	1.8
417.21454	5.1
418.21671	2.9
419.22348	4.1
430.17569	1.2
430.22076	0.9
431.18088	11.1
432.18375	1.6
432.23907	0.6
433.24051	11.2
434.24536	1.0
443.18866	0.4
444.18994	0.9
444.24005	0.5
445.19785	11.1
446.20660	5.4
447.21552	4.2
449.23331	0.4
458.20886	0.5
459.21365	5.4
460.22519	14.6
461.23285	15.1
462.24442	0.6
473.23465	3.9
474.23877	1.2
477.23123	0.6
487.24939	1.8
488.25665	0.7
489.22876	0.7
491.24554	0.3
492.25305	0.6
505.21466	2.6
506.27042	0.5
515.24347	0.8
519.24213	1.5
519.27118	1.7
519.76642	0.3
532.24780	0.8
547.27026	49.4
548.27386	1.9
564.61987	0.4
575.26575	1.1
579.29352	1.0
607.29102	100.0
608.29260	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	607.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.05516	1.9
57.03422	1.0
65.03928	0.3
67.05163	0.5
67.05498	5.9
67.79335	0.4
69.03426	1.1
69.07054	2.0
71.05019	0.7
73.43027	0.4
79.05493	4.7
81.03413	5.3
81.07051	7.4
83.04978	1.5
83.08625	1.5
84.82423	0.3
85.02910	0.8
85.06544	0.5
91.05472	3.0
91.56397	0.3
93.07034	5.5
95.04955	1.5
95.08603	2.5
97.02882	1.0
97.06540	1.1
99.08025	0.4
105.07030	1.6
107.08583	3.4
109.02883	1.0
109.06518	0.3
109.10125	0.7
111.04420	0.6
111.08102	0.5
117.07015	1.1
119.08591	1.1
121.06480	0.3
121.10117	1.9
123.04446	0.4
123.11720	0.3
127.03981	0.8
129.07010	0.7
131.08572	1.4
133.10126	1.0
135.11697	0.8
143.08568	0.3
145.10143	0.5
147.11671	0.9
149.13269	2.6
155.08482	0.5
159.11720	1.0
159.79172	0.3
165.12805	0.5
170.08301	0.3
171.11711	0.3
172.39474	0.4
177.12762	0.6
195.13829	1.6
213.14819	0.6
267.15970	0.5
269.17542	1.1
285.14862	0.3
333.46616	0.4
339.18204	1.7
374.15222	0.4
375.16336	0.7
387.16156	0.4
388.16797	0.9
389.17575	2.6
390.18469	1.0
391.19260	0.9
395.20770	1.1
401.17676	0.7
402.18546	1.2
403.14767	0.8
403.19608	3.7
404.20016	1.2
405.20898	2.6
415.15103	0.5
415.19983	0.4
416.16455	1.2
417.17102	3.5
417.21121	2.2
418.17221	0.8
418.22174	0.7
419.22546	5.7
420.22891	0.6
430.17944	1.0
431.18225	7.1
432.19193	3.0
433.20157	3.0
444.19278	0.4
445.20053	5.2
445.29599	0.7
446.21033	6.4
447.21716	7.8
459.17386	0.7
459.22205	1.1
460.18906	0.9
461.19797	1.9
462.24411	0.7
463.30652	1.1
473.24155	1.0
474.20398	5.0
475.21036	4.9
477.23383	0.6
478.23352	0.7
479.24405	0.4
487.21194	1.8
490.23904	0.7
491.20074	2.9
501.23151	0.9
505.22760	0.8
506.22885	0.8
518.23541	0.5
519.24054	16.4
520.24304	0.5
547.23419	12.5
548.24451	0.7
551.26788	0.5
575.22992	0.5
579.25916	5.5
607.25525	100.0
607.34369	7.9
608.25641	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	606.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92096	0.4
70.89581	1.1
70.89948	1.1
71.04982	2.4
73.02920	0.7
85.02883	2.0
97.20043	0.5
104.09867	0.6
104.26957	0.6
115.52077	0.4
117.03260	0.6
123.04430	1.6
129.05580	0.6
137.02339	0.6
139.03937	0.7
143.80690	0.6
147.04413	0.9
152.92928	0.6
160.56242	0.5
165.05569	0.5
177.05476	1.7
227.07089	0.7
237.05510	3.2
255.06671	0.7
265.04947	7.3
266.05658	1.4
282.05374	0.7
283.06000	1.6
287.05569	1.0
293.04395	5.2
294.05182	2.2
294.92575	0.6
300.08633	2.7
303.04947	1.4
311.05484	100.0
312.05826	2.1
328.08145	40.6
329.06555	0.7
377.01733	2.5
395.02878	1.3
459.08163	0.6
460.12653	7.0
474.13583	1.4
606.13568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2546
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
56.00745	0.4
71.51698	0.8
80.53170	0.4
83.54197	0.4
89.81284	0.5
95.19102	0.4
209.10796	0.6
220.90317	0.4
373.14572	0.4
374.15277	0.5
375.16473	0.6
378.33167	0.5
387.16394	1.0
388.16754	0.8
389.17731	2.5
390.18335	1.2
391.19119	1.0
401.17917	0.9
402.18872	1.2
403.19592	4.1
404.20126	2.3
405.20914	2.4
416.16119	1.2
417.16272	4.3
417.21216	1.8
418.17447	1.2
418.22150	0.7
419.17627	0.6
419.22461	5.6
420.22952	1.1
429.21533	0.6
430.17310	0.8
431.18274	6.0
432.19174	2.8
433.20157	4.2
445.20129	5.5
446.20972	8.1
447.21680	8.0
447.26627	0.5
448.22815	0.6
459.21826	1.9
460.19006	0.7
461.19620	1.0
463.25439	0.8
473.23889	1.0
474.20404	5.2
475.21075	5.4
476.21994	0.6
478.23846	0.9
487.21396	2.1
488.22052	0.8
490.23941	0.5
491.19907	3.3
501.22772	1.2
505.22543	0.7
506.22916	0.5
518.22827	0.5
519.24127	15.8
520.24493	0.8
529.22113	1.0
547.23370	12.5
579.26074	6.4
607.25494	100.0
608.26093	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	607.2545
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
53.03891	0.4
54.38687	0.3
55.01814	0.4
55.05435	0.9
55.94962	0.3
57.03385	0.3
57.07021	0.5
67.05411	3.1
68.05135	0.3
69.06970	1.8
69.46771	1.9
69.47181	0.6
71.04924	0.4
71.08542	0.4
73.37566	0.3
79.05389	2.9
81.03337	0.5
81.06953	4.2
83.04881	0.6
83.08546	0.5
91.05370	4.0
93.06931	2.6
95.01200	0.6
95.04895	0.7
95.08597	2.1
97.06481	0.6
97.10084	0.5
105.07017	4.2
107.04826	1.2
107.08574	1.9
109.06425	0.5
109.10101	0.5
115.05317	0.4
117.07024	1.5
119.08560	2.7
121.10047	0.7
123.11607	0.4
128.06157	0.3
129.06921	0.7
131.08551	2.0
132.07927	0.3
133.10120	2.5
135.11588	0.7
143.08485	0.6
145.09991	1.4
147.11536	1.2
149.09477	0.4
157.10097	0.8
159.11551	1.1
161.13135	0.4
163.11069	0.4
167.08456	0.3
169.10098	0.3
171.11725	0.5
179.14185	0.6
185.13283	0.4
187.14690	0.4
195.09079	0.4
197.13028	0.4
209.10730	0.3
211.14510	0.4
219.17346	0.6
221.10704	0.3
234.96085	0.3
235.12151	0.6
241.19374	0.5
245.10626	0.4
249.10306	0.4
259.20294	0.5
273.10199	0.3
275.19998	3.1
286.13162	0.4
288.60449	0.3
293.20483	0.6
315.23013	0.7
328.14346	0.4
352.13986	0.4
373.14276	0.4
374.15146	0.5
375.16071	1.0
376.17023	0.4
386.16345	0.4
387.16272	0.6
388.16800	1.6
389.17596	3.6
390.18448	1.4
391.19098	1.4
401.17609	1.2
402.14124	0.7
402.18988	1.5
403.19370	6.2
404.19873	3.2
405.20801	3.2
410.74283	0.3
415.14838	0.7
415.19586	0.6
416.15286	1.5
416.20496	1.0
417.16031	4.4
417.20984	2.9
418.17285	0.9
418.21350	1.4
419.16943	0.5
419.22299	8.4
420.22723	0.6
429.16937	0.6
430.17090	1.7
431.18283	9.9
432.19131	3.9
433.19894	2.7
441.16803	0.5
443.18610	0.6
444.19580	0.7
445.20227	7.7
446.21042	7.2
447.21680	12.2
455.17767	0.3
457.19968	0.7
458.20953	0.4
459.17987	2.3
459.22449	1.1
460.18735	1.1
461.19373	1.8
462.24255	0.6
463.24680	1.2
473.19019	1.0
473.24008	0.8
474.20383	11.5
475.21161	13.6
476.21457	0.5
477.22858	0.5
478.23474	0.6
487.21265	2.9
488.21832	1.0
489.18622	0.7
490.24399	1.7
491.19250	1.9
491.25769	0.5
501.23053	2.0
502.22913	0.7
503.23178	0.3
504.21579	0.4
505.22211	1.0
506.22992	0.6
518.23187	0.4
519.24030	12.9
520.24225	0.7
529.22546	0.8
532.20795	0.6
547.23346	67.5
548.23834	1.8
551.40857	0.4
561.24963	1.6
575.22461	0.6
579.26074	4.7
589.24335	1.2
607.25446	100.0
607.42969	4.3
608.25665	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	605.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01866	9.7
55.05511	24.9
55.52157	2.1
57.03424	5.0
57.07074	44.3
65.03945	2.2
67.05502	54.1
69.07066	23.7
69.40570	13.3
69.40999	6.2
71.04970	2.7
71.08627	26.0
79.05490	31.9
81.03393	3.0
81.07053	100.0
83.04976	5.8
83.08617	24.1
85.06536	3.6
85.10172	12.9
91.05475	30.8
93.07037	30.4
95.04963	11.2
95.08597	49.8
97.06524	17.2
97.10152	7.9
98.88078	2.4
105.07026	30.2
107.04964	10.5
107.08582	18.3
109.06512	14.2
109.10143	22.6
111.08046	4.9
117.07002	9.6
119.08575	28.8
121.06445	3.7
121.10122	14.8
123.08072	5.1
123.11700	12.9
123.26699	2.4
129.06940	4.6
131.08566	15.6
133.10135	17.9
135.08054	3.9
135.11681	8.4
137.09578	2.4
137.13245	3.6
141.06900	2.5
143.08540	4.6
145.10136	16.3
147.11681	23.5
149.09592	17.5
149.13263	3.3
151.11208	3.8
155.08575	3.4
157.10147	4.9
159.11644	11.1
161.13168	3.9
163.11169	12.8
165.12611	4.2
171.11804	3.9
173.13188	5.1
175.11163	2.8
175.14635	2.7
181.10146	2.6
183.11732	4.2
184.66676	2.0
189.12479	2.2
190.47604	2.0
207.13649	2.7
229.19502	4.7
239.17906	5.5
239.23671	5.2
247.20592	5.0
257.18967	10.3
275.20062	63.5
293.21198	14.9
304.96460	2.2
313.27356	40.4
349.23608	30.3
367.84888	2.3
501.22620	4.6
513.36639	2.5
587.46796	24.3
605.24921	13.0
605.40417	15.5
605.47644	32.6
606.41266	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	605.477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	9.1
55.01870	18.7
55.05510	32.3
57.03421	9.2
57.06815	4.8
57.07072	57.7
65.03920	5.6
67.05501	76.9
69.07066	31.2
70.55309	12.6
71.04984	4.9
71.08632	35.8
79.05488	53.6
81.03413	5.3
81.07055	99.5
83.04948	6.3
83.08609	25.6
85.06530	5.5
85.10187	20.0
91.05473	41.5
93.07037	40.4
95.04941	13.0
95.08602	68.2
97.06532	21.7
97.10144	12.5
105.07030	47.6
107.04942	17.9
107.08594	32.6
108.80428	3.2
109.06499	13.1
109.10152	27.3
111.08018	3.4
117.06978	11.7
119.08586	32.5
121.10154	19.5
122.00928	3.3
123.08050	6.3
123.11691	14.7
125.09642	6.9
131.08577	18.0
133.10129	25.1
135.08032	9.9
135.11646	10.9
145.10085	17.3
147.11641	26.0
149.09619	32.8
149.13228	6.2
152.35905	2.9
157.10124	5.8
159.11696	12.9
161.09578	4.1
161.13184	7.0
163.11156	17.8
165.12735	5.5
171.11652	3.6
173.13232	6.5
181.53497	3.1
183.11703	4.0
185.13307	3.9
189.11214	5.2
219.13608	3.9
227.12784	12.4
239.17860	8.2
239.23502	6.0
247.20592	6.1
257.18958	12.4
275.20044	100.0
293.21005	14.5
313.27374	66.9
327.64328	3.4
349.23697	40.2
473.87344	3.6
587.46704	28.0
605.23358	4.1
605.48694	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	16.0
55.01868	16.0
55.05512	35.9
55.56548	2.9
57.03427	13.6
60.59203	3.1
65.03934	8.2
67.05501	89.3
67.05862	4.7
69.03413	22.8
69.07063	26.4
71.01358	3.8
71.04987	8.6
72.08125	4.5
73.42778	2.8
77.23866	2.8
78.10004	2.6
79.05487	77.2
81.03413	82.6
81.07054	100.0
83.04978	13.7
83.08612	23.1
85.02904	23.4
85.06546	4.8
91.05477	75.1
93.07040	69.9
95.04961	63.9
95.08593	38.4
96.05360	3.7
97.02876	17.6
97.06522	14.0
97.10169	15.0
99.04462	5.7
103.05473	3.9
105.07027	52.2
107.04945	22.8
107.08588	32.0
109.02859	24.1
109.06498	14.5
109.10155	12.3
111.04433	13.3
111.08073	9.0
112.64339	3.7
115.05450	5.5
117.07013	23.7
119.04941	5.3
119.08557	23.5
121.02877	7.3
121.06498	20.7
121.10122	19.7
123.04423	14.2
123.08095	10.5
123.11662	3.3
125.02381	6.0
125.09638	10.4
127.03912	9.4
128.06210	7.7
129.06978	19.9
131.04939	11.4
131.08549	31.7
133.06485	11.5
133.10106	25.1
135.08080	9.1
135.11684	9.9
137.05995	7.8
141.06966	4.5
142.07765	4.4
143.08559	12.6
145.06476	18.3
145.09119	3.2
145.10114	15.8
147.04422	10.8
147.08052	8.4
147.11667	25.7
149.06015	10.4
149.09607	9.7
149.13252	16.1
155.08553	9.8
157.06563	6.4
157.10109	11.2
159.04373	3.9
159.08051	9.5
159.11714	11.8
161.05974	12.2
161.09648	6.3
163.03868	3.3
163.07567	5.9
163.11177	9.3
165.12758	8.1
167.08614	3.8
169.10107	6.7
171.04440	5.4
171.08090	5.2
171.11647	7.6
173.04491	6.2
173.05994	10.3
173.09596	7.2
174.06625	3.1
175.11143	9.4
177.12767	11.5
181.10117	3.9
185.09561	3.7
185.13272	3.9
187.07549	6.5
189.05495	11.2
189.11169	6.3
189.12766	3.9
193.12227	12.1
194.24504	3.0
195.08087	6.0
195.12033	3.3
195.13766	14.7
201.12761	3.7
203.10666	3.8
203.14259	3.2
205.12216	4.6
211.13225	7.1
213.12825	3.7
219.13788	4.6
223.11136	4.3
223.13152	5.2
227.12567	4.6
229.77322	3.5
231.13803	4.8
235.13364	6.0
243.13866	4.2
249.14963	4.2
255.13922	6.9
257.15253	3.7
259.13342	5.5
267.15933	7.2
269.17545	22.1
271.13385	4.7
273.14740	25.8
283.13199	4.3
285.14694	5.1
291.16052	4.2
301.14291	31.7
303.15927	9.2
319.15436	18.1
321.16949	5.3
337.16412	3.4
359.18887	3.0
375.17935	9.7
377.19632	5.4
393.19052	9.3
395.20386	4.7
408.42404	3.0
443.27750	4.0
449.26596	3.3
461.28564	5.8
467.28119	3.7
477.26541	6.1
479.29919	3.6
485.28986	4.7
489.28146	4.5
495.27081	5.7
513.28406	4.6
527.30115	5.8
531.29364	3.5
545.31018	5.7
551.30023	7.2
557.30804	7.9
559.32001	3.7
569.31012	32.7
587.31842	34.9
605.33044	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.7
57.07061	1.8
67.05487	2.6
69.07056	2.9
69.60484	1.4
71.08631	1.4
79.05495	1.5
81.07056	4.7
83.08617	1.9
94.67371	1.2
95.08578	2.1
97.43172	1.1
104.02806	1.4
177.12756	2.5
197.26251	1.8
207.10225	2.0
212.77815	1.4
227.95592	1.4
275.20169	1.9
375.01300	1.4
414.18610	3.4
415.19293	5.5
416.20135	1.7
429.20651	9.3
430.21655	6.1
443.22522	5.2
444.23663	6.7
445.23904	3.6
458.25089	2.5
459.20804	1.8
459.26297	2.4
471.21484	1.5
472.22592	4.8
473.23505	6.0
474.24222	2.6
485.23465	3.4
487.24823	23.8
503.24487	2.9
517.25812	2.7
531.23724	2.0
545.25482	20.1
546.26276	4.8
573.25067	2.5
605.27563	100.0
606.27448	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	605.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.8
55.01868	4.8
55.05506	12.2
55.71814	1.9
56.96580	2.5
57.03440	15.7
61.02924	33.0
65.31567	2.1
67.05500	29.3
69.03428	26.8
69.07069	8.1
69.56519	11.0
69.56937	6.8
71.04984	7.1
73.02921	15.8
77.86949	2.0
79.05048	4.1
79.05490	45.5
81.03417	33.6
81.07062	26.9
83.04973	10.9
83.08601	4.9
85.02907	50.4
87.04465	3.7
91.03941	18.6
91.05473	37.2
93.07047	45.8
95.04960	19.1
95.08605	14.5
97.02887	42.5
97.06555	4.1
97.10151	2.7
99.04451	6.3
101.02388	3.3
103.03951	5.5
105.07024	28.3
107.04959	7.4
107.08597	10.9
109.02843	10.8
109.06496	5.3
109.10142	4.1
115.03965	3.2
115.05450	3.4
117.07025	11.1
119.04932	3.0
119.08583	20.6
121.06483	4.6
121.10161	6.5
123.04436	4.7
123.08057	6.0
127.03908	24.8
128.06213	3.3
129.05487	3.8
129.07011	15.8
131.08563	6.5
133.06465	3.2
133.10141	8.6
135.08058	2.3
142.07845	2.3
142.17265	2.3
143.08577	9.8
145.04965	9.3
145.06480	2.9
145.10158	9.6
147.04460	4.2
147.08055	2.5
147.11697	27.5
153.01753	3.3
157.10220	2.8
161.09705	3.8
161.13268	10.2
171.08035	2.5
171.11693	27.9
173.04498	2.7
183.06458	5.2
187.11150	2.7
189.12755	11.3
189.49281	1.9
198.26129	2.6
207.13785	48.3
255.15991	2.3
269.15497	3.5
281.17474	100.0
287.16425	8.6
295.18619	2.3
305.17599	2.2
309.16904	4.0
323.18439	7.9
361.20309	4.8
389.19800	5.1
407.20624	3.7
425.21695	16.7
443.22873	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	603.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.0
55.01867	20.7
55.05509	37.9
57.03437	16.0
59.05009	3.1
59.26444	2.3
67.05502	42.8
69.03435	8.2
69.07074	11.5
70.04588	6.1
70.04990	7.9
71.04989	8.8
73.02881	2.9
79.05488	54.0
81.03415	63.4
81.07056	43.8
83.04972	15.5
83.08620	19.6
83.34385	2.4
85.02892	28.7
90.16872	2.4
91.05477	60.8
93.03365	2.6
93.07040	33.9
95.01335	3.5
95.04966	64.0
95.08606	27.5
97.02910	7.9
97.06522	5.3
97.10176	20.7
99.04477	3.9
103.05473	9.1
105.03384	3.2
105.07015	39.7
105.61640	2.4
107.04952	44.4
107.08594	24.9
109.02859	11.2
109.06528	9.9
109.10170	10.4
111.04440	10.7
111.08092	9.3
113.06052	3.6
115.05463	11.5
116.06231	2.7
117.07012	18.1
119.04197	3.0
119.04955	11.6
119.08585	20.3
121.02869	9.6
121.06510	16.8
121.10167	11.6
123.04423	64.8
123.08078	6.4
123.11727	2.7
125.02374	3.9
125.09659	12.6
128.06241	6.2
129.06998	21.3
131.04935	46.6
131.08563	20.6
132.05728	3.3
133.06485	19.5
133.10139	10.4
135.04408	5.6
135.08089	8.9
135.11742	7.2
137.02361	7.8
137.05959	5.3
139.03958	5.4
141.06987	8.0
143.04938	3.5
143.08585	9.8
144.05676	2.5
145.06474	37.8
145.07620	2.8
145.10114	12.3
147.04407	39.5
147.05508	3.5
147.08034	11.6
147.11673	17.2
149.05991	9.6
149.09673	8.7
151.03873	3.4
151.07610	3.1
153.01874	3.5
153.07028	5.4
153.09088	4.3
155.08624	7.5
157.06508	10.3
157.10132	13.3
159.04448	4.3
159.08023	16.7
160.05252	5.8
161.05978	35.3
161.09641	5.3
163.03909	7.5
163.07661	3.2
163.11220	11.8
165.05493	17.8
165.06952	4.4
165.12814	3.9
167.08609	5.9
169.06511	5.2
169.10181	4.3
171.04422	4.9
171.07996	12.0
171.11705	3.9
173.05986	56.5
173.09631	7.2
174.06845	7.7
175.03967	4.9
175.07585	8.0
175.11172	7.1
177.05508	3.2
179.07085	5.2
181.06538	3.0
181.08633	9.5
181.10081	5.3
181.12306	4.2
183.08072	9.7
183.11815	4.0
185.05997	7.9
185.09685	5.1
186.06781	4.1
187.07565	22.8
189.05470	28.4
189.09200	4.8
189.11237	8.8
189.12796	2.5
193.05040	3.1
193.12242	21.5
195.08095	6.3
195.11737	4.5
197.09618	3.9
199.07603	9.0
200.08270	2.6
201.05522	3.9
201.09120	4.0
202.07930	2.8
203.07083	3.7
203.10612	4.0
205.12222	2.9
207.06534	10.4
209.09663	3.8
211.07628	6.3
211.11295	4.3
211.13257	28.2
213.09131	5.6
215.07024	4.5
221.09773	4.7
223.11284	2.8
227.07080	3.0
227.12833	9.8
229.12262	2.5
237.12656	3.7
239.10707	3.8
243.06657	3.5
251.06740	2.8
253.12296	2.9
254.12961	2.7
255.13834	10.9
257.08215	3.9
257.15350	5.8
259.13403	5.0
265.12256	3.4
267.09082	3.2
267.15994	9.2
269.08090	56.2
271.05978	2.7
271.13428	4.3
273.14847	26.4
281.08173	7.2
283.06091	3.6
283.13159	18.2
285.10098	6.1
285.14832	11.0
285.17526	13.5
287.12796	8.7
289.14560	7.2
295.17300	3.2
297.14847	4.1
299.09216	9.3
299.16412	3.3
301.10980	5.0
301.14313	86.6
303.15997	6.9
313.10669	6.6
313.14194	42.1
313.17435	3.5
315.15979	8.2
319.15427	13.9
323.16422	5.7
325.14310	4.6
331.15491	3.2
339.16095	3.2
341.17493	15.6
343.15237	12.0
357.16962	7.2
359.18906	5.0
361.16647	2.9
375.17999	17.4
393.19055	6.7
395.11081	3.5
403.11865	2.9
421.12805	27.4
421.18134	3.0
447.25360	5.2
451.24951	3.5
465.15344	20.4
465.26810	3.4
475.24655	3.9
483.27222	3.5
493.25739	9.5
511.26801	13.9
539.29779	4.4
543.29285	15.9
549.28748	4.5
567.29492	21.8
573.30273	15.6
585.30530	100.0
603.31665	86.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	2.1
53.03939	8.4
54.44133	1.4
55.01871	12.9
55.05260	2.0
55.05509	30.3
56.96576	1.7
57.03433	14.4
59.05002	2.6
62.92395	1.4
64.03194	1.4
65.07114	1.3
65.90011	1.7
67.05500	44.5
68.99800	2.3
69.03425	9.3
69.07069	12.8
69.73692	10.1
71.01355	3.7
71.04984	6.3
79.05490	48.3
81.03413	74.0
81.07053	38.5
83.04972	19.8
83.08612	26.7
85.02903	36.1
91.05479	57.9
93.03417	2.4
93.07035	35.2
94.12885	1.7
95.01357	3.1
95.04355	3.1
95.04965	63.4
95.08599	21.3
97.02880	10.4
97.06532	6.4
97.10164	18.3
98.20787	1.6
99.04415	2.3
99.08060	1.8
102.97198	1.6
103.05446	10.1
105.03380	3.2
105.04449	1.8
105.07030	41.1
107.04960	27.2
107.08576	18.7
109.02882	19.1
109.06506	6.8
109.10161	7.7
111.04443	13.9
111.08070	12.0
113.06016	3.4
115.05450	12.8
116.06281	1.8
117.07004	21.5
119.04924	12.3
119.08569	25.7
121.02863	8.8
121.06506	13.8
121.10123	14.1
123.04415	24.1
123.08067	5.3
123.11694	5.1
125.02389	2.1
125.09639	12.2
127.03894	2.8
128.06226	5.6
129.06992	21.1
129.07892	1.9
131.04930	27.8
131.08553	22.2
132.05740	2.7
133.06483	16.5
133.10133	15.0
135.04404	4.3
135.08058	5.8
135.11670	4.6
137.02338	6.5
137.05980	5.5
137.09589	1.9
139.03925	3.6
141.06985	7.3
142.07764	3.5
143.04948	2.5
143.08543	7.4
145.06473	25.1
145.10071	9.3
146.21364	1.4
147.04399	22.2
147.08020	10.4
147.11642	12.9
149.05965	9.8
149.09602	7.3
151.07503	2.4
153.09105	2.9
153.12732	5.3
155.08539	7.5
157.06464	9.1
157.10132	14.8
158.07281	1.9
159.04405	3.5
159.08064	10.2
159.11739	3.4
160.05228	5.2
161.05972	27.3
161.09599	8.4
161.13152	2.0
163.03813	2.8
163.07524	1.9
163.11168	11.3
165.05502	7.8
165.06958	2.9
165.12782	4.1
167.08582	5.7
169.06470	3.5
169.10092	5.1
171.04401	3.8
171.08064	8.9
171.11731	2.1
173.05980	38.5
173.09659	5.6
173.13290	2.0
174.06778	9.4
175.03899	5.0
175.07556	5.3
175.11209	15.6
177.05493	2.8
177.12744	3.2
179.07088	1.9
179.08609	2.7
181.06519	3.1
181.08647	3.5
181.10161	3.0
181.12308	5.2
183.08101	6.2
183.11784	2.6
183.13905	1.7
185.06007	4.9
185.09607	3.5
185.13309	3.2
186.06807	3.0
187.07520	14.4
189.05461	28.8
189.09335	2.1
189.11267	6.4
190.06209	3.2
191.10670	3.2
193.12221	32.2
193.13841	2.5
195.08066	4.6
195.11696	2.9
197.06058	2.4
197.09650	3.5
198.06750	1.8
199.07542	6.3
200.08279	2.1
201.05489	2.9
201.09143	3.3
201.12759	1.8
203.07027	2.7
203.10764	1.6
203.14435	2.0
205.12201	2.9
207.06549	4.0
209.13411	2.0
211.07611	3.5
211.11322	3.1
211.13266	44.2
211.15240	3.0
213.09039	2.4
213.12723	2.0
221.09680	2.5
223.07632	3.2
225.12801	2.1
227.10889	2.0
227.12589	7.3
229.12112	1.8
237.12732	3.9
239.10623	2.7
241.12315	2.3
245.15404	2.5
253.12152	2.2
255.13834	9.2
257.15442	6.9
259.13425	4.5
265.12061	2.1
267.06357	2.2
267.15945	9.7
269.08078	18.0
269.12421	5.5
270.12570	2.3
271.12863	2.2
273.14850	32.1
281.08362	2.2
283.13159	15.7
285.10294	2.6
285.14728	6.7
285.17343	20.9
287.12976	3.2
289.14346	6.5
291.15881	3.1
299.09210	3.9
299.16318	1.8
301.14325	100.0
303.15958	7.5
313.14148	11.7
313.17630	1.8
315.15991	4.4
319.15387	15.2
323.16608	2.3
341.17410	6.9
345.17368	1.7
357.16946	6.3
359.18472	3.6
375.18045	22.0
393.19025	7.2
395.11038	2.3
421.12888	5.8
447.24973	1.9
459.27509	2.1
465.15466	5.0
465.26318	4.0
475.24878	2.9
477.28491	3.6
483.27707	1.7
493.25891	5.6
511.26904	4.6
529.27893	3.3
539.30139	2.8
543.29431	3.5
547.29834	1.7
555.29175	3.0
557.30994	3.2
567.29395	13.8
573.30560	21.6
585.30573	83.1
603.31653	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3166
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03941	7.8
55.01878	16.9
55.05517	34.4
57.03431	11.2
57.07030	3.8
67.05503	48.8
69.03419	12.9
69.07066	14.5
71.05003	8.2
71.59785	5.0
79.05110	4.8
79.05495	47.4
81.02968	5.9
81.03416	63.4
81.07058	46.0
83.04965	18.4
83.08612	25.2
85.02909	29.0
85.06531	5.2
91.05479	50.8
93.07053	33.6
95.04964	62.4
95.08593	21.8
97.02888	6.4
97.06530	6.7
97.10159	12.9
99.04463	3.4
103.05457	8.9
105.07030	32.4
107.04943	16.0
107.08573	25.0
107.09209	3.6
109.02867	21.7
109.06509	8.2
109.10132	9.8
111.04433	11.8
111.08058	7.7
113.95090	3.5
115.05462	10.3
117.07031	18.0
119.04940	10.4
119.08578	22.5
121.02865	8.5
121.06486	13.6
121.10161	13.4
123.04437	9.3
123.08086	5.1
123.11761	4.9
125.09623	16.4
128.06210	12.5
129.07010	22.8
131.04932	20.5
131.08559	20.7
133.06514	17.7
133.10106	11.3
135.04387	5.6
135.08034	9.8
135.11671	10.7
137.02353	9.1
137.05994	10.3
141.07018	6.5
143.08568	11.0
145.06482	20.5
145.10144	13.1
147.04408	12.1
147.08043	11.9
147.11699	18.7
149.05980	5.0
149.09666	7.2
151.03813	4.0
153.01837	6.8
153.06999	3.6
153.12726	4.4
155.08504	6.3
157.06512	12.1
157.10143	16.7
159.04391	6.3
159.08043	12.0
159.11713	5.4
160.05151	4.5
161.05997	22.9
161.09607	7.2
163.03947	5.5
163.11189	13.0
165.47041	3.4
167.08559	4.5
169.10197	5.0
170.07332	3.7
171.08044	8.8
173.06001	34.6
173.09639	8.8
174.06824	6.6
175.07578	9.3
175.11194	7.1
181.12276	4.4
183.08037	7.9
183.11699	6.1
185.05913	5.9
187.07562	19.8
189.05467	22.6
189.09103	6.5
189.11098	5.2
191.10596	4.0
193.10422	5.1
193.12271	22.3
199.07552	6.8
201.09042	4.5
203.10570	5.7
211.11426	6.8
211.13199	22.5
213.09103	4.5
227.12718	8.1
231.03091	4.7
237.12880	3.7
241.12395	4.7
243.13896	4.9
255.13777	10.9
257.15338	8.5
267.16000	8.8
271.13403	4.5
273.14941	33.2
283.13263	11.0
285.10092	4.7
285.14688	9.3
285.17096	13.2
289.14587	6.5
299.16351	5.9
301.14334	92.6
303.15985	8.3
311.56406	3.7
315.16263	4.3
319.15430	16.4
323.16431	4.3
328.74756	3.9
339.15939	3.9
341.17441	11.0
343.15341	13.4
349.15823	7.0
357.16949	8.6
375.18182	20.7
393.19043	5.2
417.18997	5.0
465.26120	6.2
475.25089	4.9
493.25760	6.8
511.27008	7.8
543.29022	11.2
555.29395	7.8
567.29382	22.4
573.30469	12.2
585.21332	4.7
585.30664	99.0
603.31653	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	603.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50930	0.4
69.74273	2.4
83.01080	0.7
85.02884	0.5
95.01093	0.7
96.01860	0.9
97.02881	0.4
98.20729	0.5
112.01338	0.6
113.02126	1.5
116.98654	0.4
123.04416	0.6
139.03896	1.0
141.05154	0.5
147.04437	0.4
153.01822	2.6
158.99739	0.5
159.04239	1.1
163.02502	0.5
163.03922	0.5
167.03276	0.5
167.07016	0.5
181.03508	0.4
185.04202	3.1
189.54245	0.4
201.03734	1.1
207.02283	0.4
229.07069	0.4
237.02811	0.5
337.12610	1.0
351.10269	0.9
365.12189	0.6
366.12888	2.4
367.13419	0.9
441.17062	3.3
466.07846	0.4
488.22217	0.4
563.24347	0.4
603.22559	100.0
604.22760	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	603.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.5
53.03944	1.3
55.01868	4.2
55.05505	7.0
57.03440	3.3
67.05497	9.0
68.99785	1.8
69.03413	2.8
69.07068	3.3
70.25507	3.0
70.25906	3.5
71.04990	2.0
71.72852	1.4
79.05497	8.7
81.03412	8.2
81.07029	8.1
83.04980	3.2
83.08620	4.4
84.60948	1.4
85.02905	4.6
91.05481	12.1
93.07035	5.5
95.04962	11.5
95.08606	2.9
97.02881	2.6
97.10154	3.7
101.80975	1.5
103.05457	4.3
105.03413	2.0
105.07038	7.6
107.04950	51.0
107.08582	3.9
109.06562	1.8
109.10137	2.1
111.00816	1.5
111.04440	2.8
111.69176	1.3
115.05462	6.1
117.07000	7.6
119.04941	15.1
119.08543	4.3
121.02908	1.7
121.06512	5.8
121.10121	3.3
123.04424	100.0
123.08015	2.5
123.11703	1.5
125.02380	3.2
125.09620	2.3
127.03905	1.8
129.07011	5.0
131.04926	54.9
131.08537	3.3
133.06477	11.9
133.10101	1.7
135.04428	1.5
135.08029	2.1
137.02376	2.6
137.05994	2.8
139.03893	8.6
143.04951	4.1
143.08600	1.8
144.05688	1.9
145.06473	17.0
145.10115	1.7
147.03212	2.4
147.04398	48.7
147.08043	3.0
149.09647	2.4
151.03946	2.1
151.07523	3.2
153.01741	2.0
153.09167	1.6
155.06013	1.6
155.08530	1.9
157.06512	3.6
157.10109	2.1
159.04405	1.8
159.08028	7.0
161.05984	16.8
163.03915	6.5
163.11139	1.6
165.05492	28.3
165.06891	2.5
167.08519	2.6
169.06512	2.5
171.04405	3.8
171.08047	5.3
173.05984	42.8
175.04022	2.0
175.07582	1.7
177.05438	1.8
179.07005	6.1
179.08514	2.1
181.06464	3.3
181.08594	20.2
183.08040	1.6
183.10162	5.5
185.06001	3.6
185.09578	1.7
187.07559	5.1
189.05472	6.1
193.12305	2.3
195.08087	5.6
197.06017	2.6
198.08282	1.4
199.07549	4.9
201.05330	1.5
203.07007	2.1
207.06480	17.2
209.09669	1.5
211.07616	2.3
211.13342	2.3
213.09105	2.6
215.07074	2.3
217.05072	1.8
221.09589	3.1
222.10455	1.9
223.07469	1.9
227.06966	5.0
228.11429	1.6
238.09851	1.9
243.06555	5.2
243.10083	1.3
244.10974	3.2
251.07085	5.0
253.12430	3.1
255.10176	2.5
255.13882	1.8
257.08044	4.3
259.13260	4.9
269.08075	96.3
271.06073	4.1
273.14838	2.5
281.08109	13.0
281.11728	5.4
283.05893	3.9
283.13297	4.3
284.06812	1.7
285.07489	1.7
287.12823	13.6
291.08746	3.9
298.12112	2.4
299.09113	20.3
301.10678	7.8
301.14383	7.6
313.07278	2.5
313.10703	11.7
313.14243	58.9
313.18024	2.8
327.08704	3.3
331.11740	3.7
341.17715	2.3
343.11710	5.1
343.15463	2.9
375.17728	2.1
395.11215	4.9
403.11737	6.4
421.12799	45.9
465.15433	30.4
483.16370	4.7
493.25845	1.7
543.29376	3.9
554.50781	1.5
567.29456	5.3
585.30597	11.8
603.31805	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	603.1344
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
53.03936	0.9
55.01886	0.6
56.96548	0.6
57.03428	0.9
61.02932	0.5
67.20128	0.4
68.99802	0.5
69.03442	3.3
71.04984	0.6
71.33199	0.6
71.33508	0.6
73.02934	0.7
79.01859	3.7
81.03417	5.8
85.02896	5.0
86.09727	0.6
88.27785	0.5
92.63363	0.5
93.07033	0.7
95.04979	0.9
95.08623	0.6
97.02885	5.5
98.97592	0.9
99.04424	1.1
107.01314	1.7
107.04964	5.8
109.02863	4.2
109.10147	0.7
116.98682	0.6
121.02847	0.9
125.02357	4.3
127.03924	7.4
131.04932	0.6
135.04413	0.9
136.03958	0.6
137.02368	0.7
137.05974	0.8
143.03394	5.7
145.04962	1.1
147.04355	0.6
149.02293	2.5
153.01828	100.0
154.02145	1.3
158.99625	0.8
163.03889	0.9
167.07031	1.5
171.02896	11.5
183.02975	0.6
185.04259	1.1
195.02904	2.5
207.06635	0.6
211.09853	0.6
212.10368	0.7
215.06996	2.1
215.70967	0.5
239.07043	1.2
243.06523	2.2
257.08133	0.6
259.15427	0.6
261.03928	1.0
267.06586	0.6
271.06082	2.2
285.07596	2.3
287.05521	2.9
288.05862	2.6
289.06937	3.7
295.05923	0.7
297.06024	6.9
308.02835	1.5
313.07010	2.0
315.07138	3.0
327.16165	0.7
327.66461	0.7
331.08023	1.8
379.08350	0.8
408.19098	3.9
408.69125	2.2
409.19009	1.4
441.08350	0.5
471.08871	2.2
603.13074	17.2
609.16351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	21.6
57.07066	9.2
59.04990	8.3
62.04895	3.4
67.05503	36.0
69.03409	13.8
69.07062	30.5
69.30462	43.5
71.04992	5.5
79.05492	30.6
81.03398	7.7
81.07048	44.0
83.04977	19.2
83.08616	20.7
85.06532	7.2
87.04456	11.7
89.06007	9.4
91.05473	57.0
93.06474	5.4
93.07037	82.7
95.04980	30.4
95.08585	51.3
97.06514	15.9
98.20717	7.0
101.95215	3.9
103.05415	5.3
105.07020	100.0
107.04924	4.5
107.08588	76.8
109.06490	25.3
109.10133	36.8
111.08021	4.4
115.05435	10.4
117.07009	25.6
119.08573	93.5
121.06483	13.6
121.10130	90.7
123.08050	15.9
123.11729	9.2
125.09579	12.5
128.06233	11.6
129.06999	24.5
130.07742	10.3
131.08548	45.8
133.08600	6.5
133.10126	59.7
135.08022	19.3
135.11682	18.6
137.09584	12.8
139.11147	4.9
141.06883	6.4
142.07805	19.2
143.08559	43.0
144.09290	12.4
145.06483	7.3
145.10107	66.9
147.08022	12.5
147.11662	29.3
149.09593	16.6
149.13174	5.1
151.07477	4.4
155.08496	15.9
155.10583	6.1
156.09314	19.1
157.10135	52.7
158.10828	8.5
159.08015	12.5
159.11679	40.2
161.09593	16.2
161.13226	12.4
163.11130	9.2
165.07007	8.1
165.09123	10.5
167.08507	13.4
167.10663	51.0
168.09375	7.5
169.10141	28.6
170.10953	5.0
171.11682	36.1
172.12173	5.7
173.05930	6.1
173.09473	4.2
173.13269	20.9
175.11159	11.1
175.14799	18.9
179.08511	11.1
181.10104	14.2
181.12195	5.8
182.10767	7.6
183.11714	19.2
185.13225	22.0
187.11148	4.9
187.14761	12.3
189.12730	4.4
191.14250	5.2
192.09212	4.1
193.10040	15.1
193.11946	4.7
194.10805	9.2
195.11664	24.5
196.12245	4.7
197.13219	26.0
199.11253	5.0
199.14833	10.9
201.12810	6.9
201.16502	5.3
203.14304	7.3
206.10817	5.1
207.11688	14.3
207.13629	6.9
208.12392	9.7
209.13249	22.5
209.15027	4.7
210.13806	8.2
211.14781	13.6
213.12735	5.3
213.16447	8.0
217.15823	4.6
219.11624	4.3
221.13153	13.7
221.15359	24.0
223.14891	12.0
225.16315	6.6
227.14282	6.7
233.13240	8.3
233.15297	36.4
235.14864	10.9
236.15295	5.5
237.16338	8.9
239.18184	4.6
243.17604	4.2
245.13380	4.9
247.14656	5.7
249.16286	6.7
261.16342	8.0
269.18909	9.5
281.19046	4.7
283.20465	5.6
332.93930	4.8
565.40381	5.4
583.40961	8.7
601.36646	18.4
601.41833	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	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24718	2.7
53.03930	5.0
55.01855	3.8
55.05504	20.0
57.07076	16.5
59.04993	6.2
61.81837	2.7
65.03944	4.2
67.05499	39.1
69.03407	17.4
69.07063	23.9
69.46198	24.0
71.08626	3.0
71.43874	2.7
72.40349	2.6
79.05490	37.0
81.03413	10.9
81.07047	54.8
83.04982	25.4
83.08639	15.5
85.06522	5.7
87.04470	3.0
91.05468	66.0
93.07031	87.4
94.07366	4.4
95.04961	31.2
95.08599	43.4
96.08939	3.2
96.76576	2.6
97.06511	9.7
97.10171	3.6
98.20748	6.2
99.08064	3.8
103.05433	2.7
105.07020	96.3
106.07331	6.4
107.04968	5.0
107.08579	73.4
107.92384	2.8
108.08923	5.9
108.22105	3.4
109.06511	22.7
109.10140	30.1
111.08074	6.9
115.05468	7.8
117.07030	17.5
119.08569	100.0
120.08881	4.7
121.06522	15.1
121.10130	71.9
123.08088	24.2
123.11694	9.5
125.06000	5.4
125.09631	11.6
128.06215	12.2
129.06987	19.0
130.07776	9.0
130.09761	2.6
131.08563	41.4
132.08856	3.6
133.06509	6.7
133.10118	59.1
135.08031	25.4
135.11688	20.8
137.09596	16.6
139.11177	5.0
141.06970	6.8
142.07764	21.4
143.08543	46.0
144.09383	13.5
145.06480	3.8
145.10117	65.4
146.10544	3.7
147.08002	23.9
147.11681	22.1
149.09616	21.0
149.13292	5.4
151.07539	9.7
153.06944	5.1
155.08546	18.4
155.10574	5.2
156.09341	18.0
157.10124	56.3
158.07146	4.1
158.10753	6.2
159.08072	12.6
159.11667	40.7
160.08504	3.1
160.11975	4.2
161.09631	15.9
161.13280	9.9
163.11206	15.8
165.06985	6.4
165.09085	36.8
166.09431	4.5
167.08531	10.1
167.10681	48.6
168.09305	8.2
168.11008	3.5
169.10114	32.4
170.10847	8.4
171.11682	39.8
172.12234	5.5
173.09589	10.9
173.13211	23.8
175.11130	10.3
175.14806	10.4
176.11519	5.0
177.12804	4.7
179.08517	9.5
180.09235	5.3
181.10130	11.7
181.12251	12.0
182.10953	7.1
183.11679	26.5
184.12283	5.0
185.09605	5.6
185.13272	21.5
187.11221	7.6
187.14778	10.1
189.12752	9.5
191.14323	8.1
192.09210	4.4
193.10115	11.9
193.15640	3.1
194.10860	11.9
195.11664	26.0
196.12225	8.3
197.13214	24.8
199.10977	4.5
199.14848	14.7
201.12656	3.9
201.16338	6.1
203.14273	18.8
205.10161	3.5
206.10866	6.7
207.11687	10.2
207.13805	8.5
208.12265	8.2
209.13213	24.7
209.15152	5.5
210.13919	5.6
211.14764	17.2
213.12805	6.5
213.16373	4.3
215.14302	2.9
217.10066	3.4
217.15878	6.4
218.10776	3.5
219.11597	5.2
220.12369	6.0
221.13243	16.0
221.15305	81.3
222.13785	5.2
222.15735	8.0
223.11285	4.9
223.14821	11.1
225.12544	3.4
225.16386	10.0
226.13185	4.2
227.14188	4.9
231.11629	4.3
233.13223	10.6
233.15364	24.3
235.14842	12.0
237.16438	8.7
238.15070	4.3
243.17274	4.2
245.13170	4.8
247.14798	9.1
247.17018	4.6
249.16386	5.6
255.17435	4.9
256.17685	4.4
257.19098	4.0
259.14862	3.4
261.16385	3.6
265.19513	7.6
269.19009	8.3
271.16840	3.6
273.18604	4.3
275.17749	3.6
281.18967	4.1
283.20544	7.6
287.20178	6.1
293.19308	3.7
295.20544	3.3
299.19827	5.1
300.20706	6.4
301.21756	5.3
303.19577	6.2
304.20035	4.6
311.19931	3.5
313.21539	5.0
331.24014	3.5
336.57257	2.9
345.16528	3.1
349.25378	4.9
352.24182	14.0
353.24423	14.9
366.24933	5.1
367.26184	6.9
377.23767	2.9
491.35275	5.8
503.34570	5.4
506.33347	3.6
509.36008	3.4
521.36145	14.5
529.16504	2.9
565.40399	7.5
583.41321	14.4
601.42413	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	601.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.3
53.03939	5.7
53.32342	2.0
53.62046	2.1
53.86157	2.4
55.05512	24.7
57.07067	9.1
59.04990	4.5
65.03922	2.4
67.05505	30.6
69.03425	17.7
69.07059	29.4
70.73145	5.1
70.73525	3.4
71.04986	5.0
77.03883	2.6
79.05491	43.7
81.07056	47.6
83.04980	24.8
83.08626	16.4
85.06544	6.1
87.04460	6.2
91.05478	62.8
93.07041	89.4
95.04975	29.9
95.08606	42.7
97.06522	14.8
97.10176	3.2
97.55776	2.2
103.05484	3.8
105.07030	99.9
106.07268	2.6
107.04958	4.3
107.08594	81.2
108.08893	2.3
109.06539	18.6
109.10149	37.2
111.08084	7.1
111.11731	4.2
113.09650	4.3
115.05456	9.7
116.06239	3.5
117.07012	20.6
118.07379	2.3
119.08581	100.0
121.06535	13.3
121.10139	89.6
122.10522	2.3
123.04177	2.2
123.08034	15.5
123.11697	12.4
125.09611	14.7
128.06221	17.4
129.06998	20.9
130.07785	9.3
131.08556	45.6
133.06528	4.2
133.10130	74.9
135.08054	20.0
135.11688	21.7
137.09584	9.6
139.11163	6.3
141.07025	12.5
142.07796	23.0
143.08560	46.7
144.09354	11.6
145.06474	5.9
145.10123	76.6
145.11272	4.0
146.07190	2.9
146.10454	3.1
147.08054	12.5
147.11685	24.7
149.09613	21.5
149.13312	4.4
151.07507	5.0
151.11174	4.0
153.06990	6.7
154.07890	3.0
155.08528	17.4
155.10596	4.4
156.09357	21.1
157.10124	54.8
158.10815	6.9
159.08047	18.4
159.11690	36.3
161.09586	14.4
161.13295	9.5
163.11153	13.4
165.06985	6.8
165.09145	8.6
166.07750	3.9
167.08501	8.2
167.10661	57.4
168.09361	6.9
168.10931	2.2
169.10110	31.8
170.10890	14.1
171.11685	34.7
172.12227	3.8
173.09656	7.0
173.13300	21.7
174.13690	3.2
175.11177	10.1
175.14799	15.1
179.08511	16.6
180.09270	6.4
181.10118	16.5
181.12173	4.5
182.10921	13.4
183.11684	27.4
184.12334	5.4
185.09673	5.9
185.13249	19.7
187.11163	6.4
187.14813	12.0
189.12752	7.6
190.13269	3.3
191.08307	2.3
191.14328	8.1
192.09398	5.2
193.10094	16.7
194.10931	10.3
195.11681	26.2
196.12431	6.7
197.13269	24.8
198.13931	2.7
199.11244	5.3
199.14786	13.5
201.12773	5.2
201.16345	6.2
203.14285	7.1
205.10168	5.7
206.10948	4.6
207.11678	18.6
208.12440	8.7
209.09720	2.7
209.13298	29.5
209.15242	4.0
210.13893	4.7
211.11136	4.9
211.14856	16.3
212.15326	3.2
213.12741	5.7
213.16238	4.5
215.14394	5.4
217.10179	2.8
217.15881	6.7
218.10982	2.7
219.11720	7.7
220.12331	5.6
221.13249	15.9
221.15398	21.6
222.14005	3.0
223.14775	17.3
224.15517	4.4
225.12816	6.5
225.16356	9.6
227.14389	4.6
231.11568	3.6
232.12395	4.2
233.13184	8.0
233.15311	30.4
234.13904	4.7
235.14836	10.3
236.15352	4.7
237.16342	10.2
238.17107	2.7
239.14128	2.5
239.17950	5.5
245.13162	5.0
247.14804	7.4
248.15688	3.7
249.16397	6.3
251.17914	6.1
253.19263	2.6
255.17357	6.6
257.18991	4.1
259.14700	5.3
261.16400	8.4
263.17865	5.1
265.19470	6.0
269.18991	6.3
271.20450	3.2
273.16196	2.6
275.17978	6.7
277.19562	5.4
279.17523	3.9
281.19110	4.3
283.20590	4.6
285.18631	5.6
287.20392	3.2
289.19547	3.2
295.20432	5.0
299.20200	4.1
300.53418	2.5
301.19211	3.3
309.22003	2.8
320.92654	2.4
347.23700	4.1
349.25345	6.2
353.67914	2.7
365.24710	3.3
516.87347	2.9
565.40295	5.6
583.41528	10.5
601.42273	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	5.0
53.03933	6.8
55.05492	16.5
57.07059	13.3
65.03946	4.8
67.05488	35.6
69.03411	18.0
69.07050	18.6
73.20075	4.6
73.35055	5.0
78.47060	4.7
79.05483	32.5
80.05789	4.7
81.07055	50.6
83.04955	16.9
83.08603	16.5
91.05470	59.9
93.07034	98.0
94.69038	4.6
95.04955	31.5
95.08604	36.1
97.06512	13.0
103.65894	5.3
105.06384	7.4
105.07029	95.9
106.07285	5.3
107.08585	68.2
108.08882	4.7
108.78144	4.6
109.06506	19.2
109.10151	30.2
114.58893	4.4
115.05451	5.7
117.06984	17.0
119.07784	8.8
119.08564	100.0
120.08891	6.5
121.06493	14.3
121.10127	78.0
122.10505	6.0
123.08080	26.1
123.11682	6.7
125.09583	11.2
128.06195	16.1
129.06982	15.1
130.07747	6.6
131.08562	46.9
133.06474	4.8
133.10123	67.0
135.08040	22.2
135.11670	14.7
137.09599	10.5
141.06943	7.6
142.07747	18.5
143.08539	43.6
144.09323	10.3
145.10098	72.9
146.10469	4.4
147.08063	25.1
147.11685	22.7
149.09595	18.6
151.07532	13.1
153.07007	7.0
155.08527	14.5
156.09300	15.3
157.10136	47.3
158.10739	9.2
159.08017	17.9
159.11655	39.6
161.09619	16.6
161.13272	8.1
163.11162	12.7
165.06952	6.3
165.09109	47.0
167.08554	9.2
167.10645	46.7
168.09343	7.0
169.10074	24.4
170.10815	5.8
171.11717	31.9
172.12114	7.1
173.09608	13.2
173.13248	20.3
175.11172	13.6
175.14853	11.1
180.09203	5.5
181.10115	15.0
181.12195	13.7
183.11646	20.1
184.12489	5.9
185.09567	5.5
185.13301	22.7
187.14677	8.6
189.12735	11.2
193.10107	13.5
194.10884	6.7
195.11665	17.9
196.12250	9.2
197.13240	18.4
199.11119	6.4
199.14821	14.1
201.12665	5.3
201.16360	6.1
203.14278	20.9
206.10683	5.7
207.11774	10.5
207.13635	11.0
208.12361	8.0
209.13210	17.6
209.15047	6.4
211.11179	5.3
211.14793	18.0
213.12837	8.6
215.14308	7.6
221.13138	14.0
221.15305	99.5
222.15671	6.3
223.14806	15.0
225.16347	13.0
227.14345	10.5
233.13301	6.8
233.15271	23.3
235.14651	8.9
247.14644	5.5
249.16107	10.0
265.19406	5.3
281.18808	6.9
283.20352	5.2
286.19083	8.8
287.20032	11.1
301.21521	15.7
303.19376	5.5
304.19824	8.5
312.20987	6.2
313.21454	5.8
321.83438	4.7
349.25357	5.9
352.23886	8.5
353.24170	25.9
365.24649	9.9
367.26178	9.1
416.28333	4.9
509.35431	6.9
521.35669	7.5
565.39978	7.9
583.40759	17.3
601.42627	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34890	2.2
50.98962	2.0
53.03936	3.3
54.40265	2.0
55.01870	2.4
55.05499	9.7
56.59354	2.5
57.03428	3.5
57.07076	26.3
61.89044	2.5
67.05511	11.7
69.07066	8.0
71.08635	19.3
71.33513	3.3
71.33864	3.2
79.05490	10.2
81.02975	4.5
81.03420	63.9
81.07045	16.5
83.08639	6.0
85.10184	6.9
86.57957	2.6
88.29987	2.2
91.05477	14.7
93.07046	8.4
95.01324	4.0
95.04977	9.4
95.08603	15.3
97.06567	2.7
97.10173	3.1
103.05451	2.4
105.07051	12.1
107.04967	9.2
107.08593	7.1
109.06559	4.3
109.10167	8.7
112.57940	2.5
115.05458	10.1
117.07011	4.4
119.08580	11.4
121.06519	2.8
121.10166	7.0
123.08086	3.4
129.07010	5.6
131.04942	6.9
131.08595	5.9
133.06494	7.7
133.10075	4.6
135.08064	4.2
137.05974	5.5
141.07014	2.7
143.08569	5.8
145.06477	2.4
145.10159	4.8
147.04431	6.6
159.04443	6.8
159.11768	3.2
160.05194	20.9
160.26357	2.1
161.05980	32.7
161.09624	6.4
169.83885	2.3
171.11662	2.6
173.05962	27.4
187.07562	11.9
189.09088	3.1
203.10704	10.5
237.45035	2.2
243.13863	11.0
271.13300	51.8
271.16312	2.8
289.14316	14.5
297.66357	2.4
313.27377	25.9
335.67859	2.3
345.16904	15.5
583.40906	3.5
601.41089	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	601.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.8
56.96575	2.9
57.03441	2.8
59.68836	1.8
63.18871	1.7
65.03977	1.8
67.05511	29.8
69.03427	5.4
69.07060	10.2
71.04997	4.4
71.60306	2.5
79.01841	3.7
79.05492	19.6
80.49358	1.6
81.03433	11.9
81.07059	32.6
83.04976	5.7
83.08631	9.4
85.02909	6.8
91.05476	14.4
93.07040	23.7
95.04984	3.7
95.08603	32.2
97.02892	8.3
97.06532	12.2
97.10162	5.8
105.07004	9.5
107.01308	2.3
107.08604	16.4
109.02870	6.2
109.06516	2.4
109.10152	21.3
111.08080	7.3
111.11723	2.4
117.07034	2.4
119.04963	1.8
119.08582	8.0
121.06483	3.2
121.10145	19.5
123.11722	6.8
125.02392	3.8
125.09664	2.9
127.03944	8.8
131.04898	2.8
131.08575	6.1
133.10117	14.6
135.08078	5.4
135.11635	10.1
137.09628	6.1
137.13333	4.6
143.03377	6.8
144.88147	1.6
145.10123	4.4
147.04425	3.6
147.11688	2.9
149.09566	2.3
149.13266	5.9
151.11151	4.9
153.01830	100.0
153.09084	3.9
159.11707	5.3
167.10727	2.0
171.02940	5.8
173.13182	4.4
175.14815	1.9
181.12317	1.9
187.14818	2.0
187.24792	1.8
191.17995	3.3
200.74031	1.7
215.17953	23.9
233.19011	16.4
251.20050	68.7
251.22702	3.5
253.85014	1.9
269.21130	41.7
285.10208	4.0
287.22162	11.1
297.06073	4.5
311.12796	2.8
315.07227	9.9
409.12036	1.9
421.22232	2.2
601.30835	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	601.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02398	0.6
53.03934	1.7
55.01870	0.5
57.03416	1.2
66.82576	0.5
67.05489	0.6
68.99780	0.7
69.03429	3.1
69.94521	2.2
71.04988	0.7
79.01854	4.1
81.03413	9.9
83.01341	2.1
83.04971	0.6
85.02907	3.6
85.21774	0.4
91.05483	1.0
95.04966	0.8
97.02897	6.8
99.04442	1.3
107.01323	1.6
107.04929	0.9
109.02872	5.7
111.04411	0.7
118.44092	0.4
119.04970	2.5
121.02895	0.6
121.06471	1.3
123.04411	1.6
125.02332	5.0
127.03905	6.9
137.05992	0.7
139.03960	1.0
141.34023	0.5
141.94057	0.5
143.03395	7.5
145.04965	1.0
147.04396	10.9
149.02307	1.0
153.01823	100.0
154.02145	1.1
160.80754	0.4
167.03397	35.8
168.03760	0.7
171.02876	11.7
179.03503	0.5
185.02765	0.9
185.04443	19.9
191.03432	1.2
193.04929	0.9
205.04962	0.6
209.04425	5.3
233.04436	1.5
245.08121	0.5
257.04410	0.8
269.07532	0.4
275.05533	1.4
287.09116	40.1
288.09555	0.9
297.06049	11.1
311.09082	0.8
315.07053	3.1
329.10214	1.8
353.10181	1.2
377.10208	0.8
395.11292	0.6
431.13657	0.6
463.08585	1.0
588.50513	0.7
617.41669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1187
Annotation	Quercetin 3-(2''-galloylrhamnoside)
Peak:m/z	Relative Intensity
57.03443	4.9
69.03416	1.5
69.86241	6.2
71.04990	32.5
73.02913	1.4
75.04482	1.1
79.01843	3.3
85.02905	34.9
87.04453	1.3
97.02872	1.4
107.01324	1.4
119.04862	1.2
121.02866	2.2
125.02338	2.1
129.05469	6.2
137.02321	3.2
138.35039	0.8
143.03398	6.0
145.06487	1.0
147.04449	1.0
153.01826	100.0
163.03871	1.0
165.01851	2.4
201.05490	1.7
202.92131	1.0
229.04907	4.4
257.04312	2.5
275.05460	1.3
285.03897	2.8
287.05423	3.5
303.04996	55.7
315.05069	2.0
345.06036	4.0
361.02249	1.6
431.10165	1.5
455.06082	81.9
497.07068	4.2
521.07147	2.1
583.10590	1.4
601.12988	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	601.1187
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
50.81792	0.7
51.41286	0.7
51.49848	0.6
53.03946	0.7
57.43212	0.6
59.41766	0.6
60.45473	0.6
61.02924	0.9
68.99789	0.7
69.03426	3.9
69.42216	4.1
69.42636	2.2
79.01862	3.6
81.03406	2.2
83.04993	1.1
85.02905	1.5
91.05482	0.8
92.68726	0.8
97.02887	2.9
98.21484	1.0
105.07014	0.9
109.02847	1.3
111.04462	2.0
112.55083	0.8
119.04970	1.0
121.02875	1.1
123.04411	1.7
125.02363	3.4
127.03944	2.3
137.02367	6.6
137.03346	1.3
143.03386	7.2
147.04396	3.2
151.03893	1.2
153.01825	100.0
161.02309	1.0
163.03920	1.0
167.03413	7.6
171.02911	2.5
173.06027	0.7
177.01801	0.9
185.04456	4.5
197.05928	1.0
201.05379	0.8
207.02850	2.8
209.04417	1.3
219.06560	1.8
221.04483	0.9
225.05507	1.0
263.05609	1.5
281.06573	5.9
287.05493	14.9
287.09106	8.3
297.06049	1.3
299.04941	4.5
299.08154	1.9
302.04230	1.2
303.05093	5.8
303.08328	1.4
315.04919	12.0
316.05710	1.2
327.04993	21.7
329.06436	0.9
339.04782	0.9
341.06500	3.0
345.06006	24.7
357.06821	0.7
367.08167	0.7
369.06015	4.2
395.07724	3.9
413.08566	6.5
431.09851	8.3
449.10736	2.9
497.07159	2.5
583.10870	1.1
600.41211	1.0
601.11823	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	5.6
55.81448	6.0
57.07062	7.8
67.05496	14.4
69.07045	6.3
79.05499	9.2
81.07035	15.9
83.04983	6.0
85.06512	5.7
89.06021	11.6
91.05475	18.4
93.07046	33.4
95.04973	9.4
95.08609	18.2
105.07018	37.8
107.08567	19.8
109.06522	17.5
117.07004	12.1
119.08562	45.1
121.06527	6.3
121.10146	21.3
123.08035	12.7
125.05975	8.0
129.07013	10.5
131.08560	25.3
133.08606	8.7
133.10121	21.7
135.08078	13.8
136.34972	5.5
137.09602	14.9
142.07793	12.7
143.08580	30.6
144.09337	11.4
145.09041	5.8
145.10110	33.3
147.08017	17.0
149.09598	14.6
151.07617	6.6
155.08556	8.6
157.10159	21.5
159.11687	26.1
161.09656	9.2
163.11218	9.4
165.09119	48.7
169.10109	10.6
170.10764	6.8
171.11671	12.5
172.15465	6.3
173.09613	9.2
175.11209	20.1
181.10104	7.1
181.12306	14.2
181.63971	6.6
182.10956	7.7
183.11687	16.7
185.13176	7.2
187.11110	7.3
189.12701	7.0
190.13489	15.6
193.10347	6.9
193.12308	17.5
197.13155	7.3
199.11205	7.2
201.12718	7.4
203.14333	21.9
207.13762	10.0
208.14658	7.9
209.13248	9.9
211.11238	6.6
211.14723	12.7
219.13913	7.2
221.13425	10.1
221.15376	100.0
223.14873	6.1
229.74576	6.9
234.16096	15.3
237.12805	8.3
239.14142	6.4
246.13719	5.9
247.14790	6.1
247.16966	36.8
274.19144	14.6
287.20065	7.0
299.20090	17.3
312.20773	14.1
325.21674	8.3
340.23944	15.4
352.24182	33.7
365.24942	7.7
387.25351	8.5
409.67157	6.2
413.26981	9.1
419.29239	10.3
427.28305	15.4
440.29236	47.5
508.35248	8.4
520.35376	24.6
600.41589	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.5
57.07074	7.7
59.05003	2.0
62.63084	1.6
67.05496	5.1
69.03428	4.9
69.07064	1.7
69.36957	15.2
74.83961	1.5
76.89281	1.6
79.05490	7.8
81.07064	8.5
81.69573	1.7
83.04984	4.0
83.08603	1.7
85.06525	4.2
89.06015	4.2
91.05466	13.0
93.07041	17.8
95.04978	7.6
95.08596	13.3
97.06535	1.6
98.21497	2.8
105.07023	25.1
106.07775	2.0
107.08588	14.1
109.06511	7.3
109.10156	5.8
117.07024	5.8
119.08572	33.0
121.06494	5.5
121.10126	14.5
122.07298	2.4
123.08069	15.0
125.05999	7.4
129.06979	5.3
130.07710	2.3
131.08543	11.6
132.09389	1.7
133.06480	2.8
133.08600	2.3
133.10121	16.6
135.08054	11.4
135.11665	4.7
137.05943	2.2
137.09633	8.6
139.07532	1.8
142.07764	7.0
143.08549	12.0
144.09320	3.8
145.10115	25.3
146.10663	1.8
147.08025	20.0
147.11752	3.2
148.08522	1.9
149.09636	10.2
151.07520	9.0
151.11241	1.8
153.09103	1.5
155.08559	6.8
156.09367	4.4
157.10121	25.2
158.10863	4.7
158.81531	1.4
159.08038	3.2
159.10524	2.4
159.11690	15.4
160.08794	2.5
160.12437	2.3
161.09561	7.2
161.13300	4.5
163.11168	19.0
165.09109	40.9
166.09460	2.8
167.08571	2.0
169.10176	8.2
170.10980	1.7
170.79062	1.5
171.11684	11.3
172.12392	1.9
173.09644	6.9
173.13258	6.3
175.11140	14.0
177.09087	3.1
178.07826	1.5
178.09824	3.2
179.08517	1.5
179.10695	1.7
180.11470	2.6
181.10147	4.3
181.12233	17.4
181.13495	1.8
182.10881	2.9
182.12497	1.7
183.11725	11.1
184.12372	2.3
185.09549	2.7
185.13286	7.9
187.11143	4.9
187.14766	2.9
188.11852	2.6
189.12727	6.4
190.13576	7.5
191.10654	6.1
191.14317	3.3
193.10381	2.2
193.12244	10.5
195.11678	5.5
195.13852	3.4
196.12418	4.1
197.13220	11.1
199.11174	4.2
199.14804	1.8
201.12717	7.4
203.14304	17.0
207.11858	2.7
207.13838	6.5
208.12700	2.1
208.14560	8.1
209.13197	5.7
209.15271	3.2
211.11125	2.7
211.14787	6.1
212.15565	2.2
213.12775	4.6
213.16382	2.5
215.14293	3.0
219.13797	6.0
220.12540	1.9
221.15347	100.0
222.13907	1.8
222.15735	11.2
223.11166	2.2
223.14783	3.5
225.12843	2.0
225.16408	2.7
226.13399	1.9
227.14349	5.1
229.15828	2.4
231.13873	2.0
233.13248	2.7
233.15361	3.0
234.16171	20.3
237.12817	3.1
237.16614	1.9
239.14395	2.5
241.15872	3.1
245.15485	1.6
247.16946	31.1
248.17618	3.1
249.16420	2.1
251.14310	2.2
253.15880	2.8
257.15298	2.4
259.16910	5.2
260.17682	2.2
261.89816	1.8
269.18951	1.6
271.16809	4.4
273.18558	3.1
274.19308	12.0
281.19006	2.6
283.16861	1.9
284.03650	1.6
284.17499	1.8
285.18402	2.6
286.19241	3.1
287.20035	11.7
299.20093	12.4
300.20819	4.4
307.20645	2.8
311.20081	4.1
312.20856	7.4
313.21655	9.1
325.21536	14.5
327.23120	3.8
337.21588	4.1
339.23166	6.8
340.23978	20.4
352.23941	31.2
365.24756	4.8
366.25601	3.9
379.26208	5.0
387.25555	4.2
391.26349	4.6
392.27005	3.4
400.25925	2.4
402.27505	2.1
413.26819	5.1
415.25610	1.7
419.29462	8.3
420.30096	4.3
425.26654	7.3
426.27713	6.4
427.28412	16.4
428.28824	2.6
440.29227	52.8
442.30542	3.0
494.33521	2.1
507.33832	2.7
508.35349	7.0
520.35443	30.1
521.36371	1.7
582.40692	3.5
585.39191	3.6
600.41522	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	599.34
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02711	0.4
55.01870	0.4
55.05513	0.7
57.03433	0.5
59.04988	1.0
67.05497	3.6
69.03416	0.7
69.07055	0.9
70.08015	1.7
71.04993	1.8
79.05490	2.3
81.03421	2.9
81.07058	3.1
83.04980	0.7
83.08612	0.7
85.02895	0.6
85.06539	0.6
87.04500	0.4
88.57587	0.4
91.05475	3.3
91.80858	0.4
93.07052	1.6
95.04967	0.7
95.08607	1.1
97.02926	0.8
97.06540	0.6
97.10120	0.4
105.07029	1.6
106.63810	0.4
107.08588	1.2
109.06519	0.6
109.10144	0.9
111.08031	0.7
119.08567	1.4
121.10130	2.1
123.11712	0.4
129.07043	0.5
131.08545	1.8
133.10117	1.3
142.93980	0.3
147.11720	1.4
149.09610	1.6
157.10153	0.8
173.11795	0.5
175.11203	0.5
193.12201	0.8
225.14835	0.8
233.11491	0.7
251.12579	0.3
267.15927	0.8
283.15152	14.2
291.23459	0.4
317.18997	0.4
339.17776	9.0
339.21677	0.6
391.79199	0.4
411.97067	0.4
539.32092	0.4
599.33972	100.0
600.34265	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.1
56.96558	1.9
57.03434	4.4
61.02927	1.2
64.30686	0.6
68.99795	0.6
69.03406	1.3
69.27805	1.1
69.28211	5.3
72.08175	0.8
73.02927	0.8
75.04463	2.3
79.05486	2.0
82.98306	0.6
85.02901	5.0
86.06072	0.6
90.96537	0.6
97.02896	2.2
103.05477	1.6
105.07023	19.5
107.04932	1.4
109.06544	0.9
111.04411	0.7
115.53371	0.6
122.03638	1.4
123.04433	5.8
127.03928	3.5
133.06485	53.0
135.04417	2.1
137.05969	92.1
139.03914	5.3
144.07971	0.6
145.04965	0.7
147.04370	1.4
150.06696	0.7
151.03912	1.2
151.07515	0.7
153.01804	1.2
158.32082	0.5
163.03902	2.0
163.07541	4.3
165.09111	29.7
175.07590	3.5
175.11250	0.8
177.09090	1.1
181.08568	1.7
183.10182	21.1
183.11798	1.3
193.08502	0.7
197.01280	1.6
203.10661	2.4
207.03148	0.7
209.01294	1.4
209.11722	2.1
215.02142	1.0
218.29846	0.6
221.11775	3.5
225.86218	0.6
229.05167	0.8
237.00705	2.2
239.12645	3.0
245.04555	1.2
247.06067	1.2
255.01846	1.3
257.13824	100.0
258.14136	1.1
258.53577	0.6
301.03400	0.8
303.04855	1.2
304.05313	1.4
310.04034	1.3
363.03702	0.9
377.05975	2.5
395.07529	0.8
473.04739	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49540	0.7
53.03952	1.1
55.01866	1.1
57.03438	1.2
58.09660	0.8
69.03425	1.4
70.06579	0.7
70.75702	1.7
71.04985	1.5
71.78422	0.7
73.02920	1.1
79.05492	1.2
81.03439	0.8
85.02900	4.1
90.27599	0.7
91.41907	0.7
95.04964	1.9
97.02889	1.3
107.04950	100.0
115.99034	0.8
121.02876	1.7
123.04431	1.2
131.04973	0.9
134.58983	0.7
135.04398	0.9
136.82782	0.7
137.02390	1.1
139.03922	1.4
145.06502	0.8
147.04404	1.8
149.05910	0.9
151.03902	1.5
153.01897	0.9
159.04366	0.9
161.05974	1.2
163.03903	2.2
173.02319	1.0
173.06020	1.4
175.03911	2.1
177.05499	1.1
181.04990	2.3
185.05977	1.0
187.03931	1.5
189.05443	1.4
193.04980	3.0
201.05486	1.8
202.12064	0.8
203.03555	0.9
203.06961	1.1
205.04968	5.0
213.05542	1.4
215.60445	0.8
217.04929	5.2
219.03050	0.9
219.06464	1.5
221.04321	1.8
223.05969	1.1
227.06952	1.0
229.04980	2.7
231.06548	2.3
235.05988	4.4
241.04938	1.2
247.05936	6.0
255.06418	1.1
257.04605	1.2
259.06033	6.4
271.05988	3.4
273.07541	1.1
277.06903	1.4
283.05945	2.2
285.07516	0.9
287.09262	1.1
289.07043	2.5
299.09143	2.4
301.07016	3.3
303.05014	5.9
304.05338	2.8
305.05527	3.9
311.09216	1.7
313.07040	2.9
317.10233	0.9
323.09293	0.9
325.07022	2.7
327.08746	0.9
329.10178	3.4
341.10147	4.3
343.08133	2.0
353.10062	6.6
365.10217	3.8
377.01794	1.1
377.10159	1.9
383.11203	7.8
389.10336	1.3
395.02853	1.2
395.11273	9.0
407.11313	8.1
413.12222	2.9
419.10895	6.3
425.12418	4.6
431.13348	9.0
443.13315	2.7
449.12213	7.7
453.10242	0.8
461.12543	3.6
467.12878	2.6
473.12415	1.5
479.13364	3.5
485.14471	2.6
491.13394	2.5
497.14383	5.9
509.14441	2.6
525.17401	0.9
527.15137	1.7
545.16547	1.3
553.06335	0.8
594.23694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.5
67.59956	1.4
69.03410	2.8
70.44814	1.6
70.86655	5.7
71.04991	22.4
79.05474	4.3
81.03416	11.6
85.02902	30.0
86.14068	1.7
87.04427	1.6
91.05499	2.6
91.31794	1.7
93.27814	1.7
97.02865	2.3
107.04959	8.3
113.31898	1.8
115.05453	4.8
117.07003	12.3
123.04442	2.2
124.05189	2.6
127.03932	2.3
129.05435	2.3
129.07008	2.5
131.08583	3.7
133.06427	2.1
141.06911	1.9
144.05685	2.5
145.04924	1.5
145.05321	2.5
145.06487	31.1
147.04478	2.2
149.47423	1.6
153.01811	3.2
153.05510	2.4
155.06018	2.9
156.05684	5.6
157.06465	2.6
159.08029	6.2
161.05984	4.3
167.07028	46.5
172.41600	1.8
173.05977	53.8
180.08696	5.5
184.05199	1.9
187.07520	4.8
190.06230	32.9
191.07014	1.8
193.08556	1.9
202.06215	2.1
203.07002	6.2
205.08589	100.0
207.06496	2.9
217.08595	36.0
219.10159	3.9
223.09674	2.8
235.09619	27.5
247.07437	2.0
247.09641	4.8
248.08289	1.9
265.10687	27.9
287.05487	9.5
288.05936	2.1
291.10202	1.8
303.04947	3.1
307.09692	2.5
315.08636	4.4
323.12686	2.7
325.00406	2.1
330.10910	7.6
331.11829	3.3
343.01111	3.1
351.12210	4.1
361.02356	27.0
362.02832	2.6
371.14999	2.6
379.03284	9.1
383.14990	13.2
401.16019	12.8
433.11200	1.7
489.06992	2.0
598.23315	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	597.3757
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
54.52598	0.6
57.07077	0.8
66.77592	0.6
67.05495	2.5
69.07069	0.8
70.27180	2.8
79.05501	3.1
81.07043	3.1
83.08634	0.6
91.05466	2.8
93.07037	3.4
95.04951	1.3
95.08585	2.9
105.07024	2.3
107.08617	1.2
109.10157	0.8
117.07021	0.7
119.08572	2.0
121.10124	0.7
129.06975	1.1
133.10109	1.7
135.11725	0.8
147.11697	1.5
169.26796	0.7
220.69321	0.7
247.13051	5.3
287.34286	0.7
303.15567	4.8
317.20895	2.4
373.23471	3.6
527.29395	0.8
597.37555	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	597.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	11.6
54.95341	4.8
55.01862	5.5
55.05505	29.8
57.03422	12.4
57.07069	7.6
58.92100	3.6
67.05499	100.0
69.03414	20.1
69.07043	12.4
70.97039	3.8
71.04975	5.4
73.02917	6.2
79.05487	61.8
81.03417	39.8
81.07048	44.3
83.04981	36.4
83.08602	12.7
85.02874	7.3
90.38508	3.9
91.05476	52.4
93.07029	45.6
95.04963	27.8
95.08602	33.4
97.02910	10.6
97.06516	7.3
97.10136	9.7
98.20711	10.3
99.04406	5.7
105.07014	36.8
107.04947	6.2
107.08580	18.1
109.02843	10.5
109.06490	5.3
109.10146	49.9
111.04425	12.3
117.06994	9.7
119.08575	30.7
121.06467	6.4
121.10084	4.5
123.04310	4.5
123.08038	6.1
125.09601	9.0
127.03920	13.0
129.05475	12.7
129.06972	9.6
131.04980	3.9
131.08577	11.4
133.10097	8.0
143.08498	11.1
145.10103	8.6
147.08002	5.9
147.11646	22.6
157.09988	4.9
161.09537	6.3
161.13261	4.7
171.11685	13.8
173.11751	18.4
189.11150	7.5
189.12709	11.1
207.13783	20.9
227.12723	7.2
229.14328	11.7
281.17319	41.6
299.14868	6.6
301.20239	9.2
313.60223	4.4
337.59042	4.8
373.18494	30.4
435.27396	65.7
568.01331	4.9
579.31659	48.7
597.38635	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	597.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59475	3.7
53.03947	6.6
55.01877	5.1
55.05515	27.6
57.03436	11.5
60.18800	3.6
64.16497	3.7
65.03934	8.6
66.86397	3.4
67.05172	6.5
67.05506	100.0
69.03434	21.6
69.07065	9.1
70.99318	4.8
70.99648	7.3
71.01614	3.6
71.04966	6.4
72.44828	3.6
74.59091	3.4
79.05486	46.6
79.51948	4.0
81.03415	47.6
81.07061	45.4
83.04984	30.7
83.08614	12.9
85.02917	11.6
85.06579	4.7
91.05485	42.5
93.07044	44.0
95.04963	21.1
95.08604	23.7
97.02914	10.0
97.10177	6.0
99.04446	5.8
100.88043	3.8
105.07023	26.6
106.30811	4.0
107.04990	9.6
107.08591	24.2
109.02860	8.2
109.06477	5.9
109.10155	60.1
111.04454	6.9
111.08083	4.6
117.07026	12.6
119.08611	22.2
121.10139	10.4
121.66111	3.9
125.09632	10.7
125.78549	3.9
127.03934	8.5
129.05502	5.1
129.07008	7.2
131.08528	8.1
133.10117	7.9
137.09692	4.2
137.63911	3.9
139.04004	4.0
141.07063	4.1
143.08574	8.0
145.10133	11.5
147.11681	21.9
149.02335	29.2
150.02679	14.8
151.02853	3.7
161.09586	5.3
161.13246	8.6
171.11696	20.0
173.11731	19.0
177.09430	4.4
189.11156	6.2
189.12752	12.7
193.04994	21.4
194.05373	8.5
195.05458	4.5
207.13756	30.7
227.12843	5.7
229.14357	18.1
238.07741	5.0
239.07875	3.9
281.17508	32.4
299.15051	4.7
373.18698	24.0
385.09134	4.5
435.27414	57.5
579.13873	10.0
579.31445	43.4
580.31580	4.6
597.32355	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	597.181
Annotation	6,8-Di-C-glucopyranosylnaringenin
Peak:m/z	Relative Intensity
50.95434	6.1
55.01853	9.2
59.61295	6.4
63.78042	5.9
65.52458	5.8
71.05962	10.8
71.06301	13.7
81.03416	11.3
85.02917	31.1
93.03398	10.7
93.07043	6.0
97.02872	17.7
107.04945	26.1
109.02870	18.1
109.45914	6.3
111.04458	8.2
119.04963	11.0
121.02858	21.9
121.06522	12.1
123.04398	16.0
127.03899	12.5
131.05008	7.5
133.06468	9.2
135.04434	17.8
137.02336	7.3
139.03902	7.1
141.52461	6.1
145.06509	9.0
147.04401	28.6
151.03952	8.6
153.01747	8.0
161.05975	11.8
163.03883	13.8
173.05954	12.8
175.03935	9.2
177.01840	16.5
177.05556	15.2
183.02892	13.1
187.03841	14.3
189.01907	22.9
191.03418	19.6
193.01361	8.7
195.02867	42.8
200.55473	6.6
201.01917	7.2
201.05426	17.6
203.03380	17.6
205.04985	9.8
207.02887	48.7
215.03378	15.3
219.02911	91.5
223.02290	11.4
225.03970	26.6
225.14806	7.1
229.04993	15.6
231.02919	42.0
233.04471	22.1
237.03915	21.7
243.02847	24.1
243.06622	11.3
249.03893	29.1
253.05177	7.9
257.04410	18.8
261.03952	100.0
269.04568	7.4
271.05914	15.4
273.03940	51.4
276.89749	6.4
285.03943	51.0
291.05051	28.5
297.04071	13.5
297.07281	11.5
299.05420	15.4
303.05005	53.6
307.10623	6.5
309.03900	7.7
309.07614	9.7
321.06149	17.4
327.04929	53.0
327.08618	26.8
339.08572	40.6
345.06082	22.1
348.01840	7.2
351.08655	22.2
357.05887	17.8
357.10120	10.5
363.07077	40.5
375.07095	13.3
381.09564	45.7
393.09433	43.4
405.08667	33.3
411.10809	11.6
417.09836	7.2
423.09851	25.6
429.11768	34.5
441.10754	39.6
447.10757	34.0
459.12418	26.0
483.12747	12.9
495.12909	17.8
507.12729	13.1
525.13428	16.3
543.15063	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	597.1448
Annotation	Peltatoside
Peak:m/z	Relative Intensity
53.41547	0.2
55.40753	0.2
56.91262	0.3
57.03443	1.3
61.02910	1.1
61.35301	0.3
68.99785	0.5
69.03425	1.6
69.41354	0.3
70.60394	0.6
73.02913	5.8
81.03425	0.4
83.68233	0.3
83.77483	0.2
85.02421	0.3
85.02898	3.8
87.04481	0.3
88.01128	0.3
91.03931	0.4
97.02898	1.8
98.83350	0.3
109.02852	0.5
111.00787	0.7
115.03912	1.3
121.02853	1.1
123.04441	0.6
127.03905	0.9
133.04951	1.0
137.02351	2.5
145.04982	1.3
149.02312	0.4
153.01840	2.9
161.05923	0.5
163.03963	0.4
165.01802	1.7
171.19200	0.3
175.73967	0.3
183.02908	0.9
183.36765	0.3
201.05449	1.4
229.04973	3.8
229.78156	0.3
247.06021	0.4
257.04446	2.7
274.04825	0.8
285.03900	1.4
296.14090	0.3
303.04984	100.0
304.05298	1.0
315.05063	0.3
319.04480	0.4
345.06097	0.5
398.69104	0.3
435.09482	1.8
443.99564	0.3
465.10297	12.7
466.10437	0.4
496.12946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1445
Annotation	Peltatoside
Peak:m/z	Relative Intensity
55.01865	0.2
57.03424	0.7
58.03879	0.2
61.02932	1.3
61.27163	0.2
67.01851	0.2
68.99792	0.6
69.03416	0.5
71.01343	0.3
71.34872	0.4
73.02913	9.5
81.03407	0.3
84.37649	0.2
85.02885	0.7
91.05444	0.2
93.03375	0.2
95.04973	0.2
97.02869	0.5
98.97569	0.2
109.02873	0.3
111.00806	0.8
115.03937	1.1
121.02858	0.9
123.04414	0.7
127.03931	0.4
130.04985	0.3
135.04456	0.2
137.02328	2.8
137.03294	0.3
139.03874	0.5
141.38664	0.2
149.02325	0.7
153.01811	3.3
154.02057	0.2
163.03880	0.7
165.01808	1.8
166.02603	0.3
173.06015	0.2
179.03374	0.2
183.01328	0.3
183.02893	0.7
187.03888	0.3
195.02840	0.2
201.05432	1.5
213.05489	0.2
219.06406	0.3
229.04929	3.9
229.80824	0.2
239.03342	0.3
245.04434	0.2
247.05910	1.1
257.04410	2.5
266.80215	0.2
274.04660	1.0
285.03979	1.1
303.04968	100.0
304.05338	0.5
315.04977	0.3
329.07892	0.3
330.08246	0.3
369.05911	0.2
399.07120	0.5
435.08746	0.2
459.12283	0.2
465.10269	11.7
466.10919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	6.7
55.01873	10.5
55.05507	18.7
57.03438	10.2
57.07051	6.7
60.85521	7.7
67.05502	80.9
69.03411	6.8
69.07063	37.8
70.07853	6.5
71.60192	10.3
79.05485	44.7
81.03431	7.9
81.07060	100.0
83.04993	10.4
83.08620	22.9
86.00234	6.7
87.59744	6.1
91.05481	47.3
93.07048	77.9
94.50600	6.6
95.04942	10.3
95.08617	38.9
97.06533	15.1
105.07014	41.6
107.08576	41.5
109.10144	14.0
117.07005	18.0
119.08551	12.1
121.10122	22.3
128.19894	6.6
131.08585	17.6
133.10129	26.1
135.08058	8.3
135.11702	18.4
145.10144	12.9
147.11697	9.6
149.09648	14.3
149.13257	28.2
157.10193	6.6
159.11684	18.3
177.12776	8.1
195.13785	17.4
216.95271	6.5
253.14383	7.9
269.17538	58.4
275.20081	29.3
349.23621	9.0
426.54251	7.8
449.29349	14.4
463.30426	65.4
489.47418	7.8
543.36163	15.0
561.37335	9.3
596.43433	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	595.1651
Annotation	Kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
57.03448	3.1
57.71754	0.5
69.33551	6.2
69.33887	1.0
70.71043	0.7
71.04987	21.8
72.73741	0.6
73.02901	1.1
85.02897	22.2
91.71272	0.6
98.21574	0.9
111.04367	0.8
121.02858	1.9
129.05461	4.9
149.63518	0.6
153.01811	3.6
154.91843	0.6
160.05431	0.6
165.01819	1.2
201.68791	0.6
213.05557	1.2
218.96613	0.7
231.06479	1.0
234.92882	0.6
258.05276	0.9
287.05478	100.0
288.05911	1.0
303.05011	8.7
431.09692	1.3
449.10757	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1658
Annotation	kaempferol-3-O-rutinoside
Peak:m/z	Relative Intensity
55.05502	0.3
57.03439	2.1
65.19971	0.2
67.94933	0.2
68.70966	0.2
68.99783	0.6
69.03423	0.4
70.40163	0.2
70.90445	0.2
71.01362	0.3
71.04991	17.5
71.34761	0.3
71.35104	0.3
73.02906	0.4
75.04468	1.0
81.03379	0.2
83.04965	0.4
85.02902	19.3
87.04460	0.7
97.02934	0.3
99.04443	0.3
103.05450	0.2
105.03380	0.2
107.04957	0.4
111.00754	0.6
111.04405	0.3
121.02852	2.7
123.04420	0.7
127.03895	0.6
129.05486	4.6
131.04944	0.2
133.02769	0.4
135.04411	0.4
137.02333	0.9
137.05998	0.3
139.03876	0.4
147.04408	0.8
147.06532	0.6
153.01830	3.2
155.03387	0.3
157.06467	0.2
161.05951	0.3
163.03865	0.3
165.01807	1.2
167.07100	0.2
171.04434	0.2
183.02913	0.4
185.05959	0.3
213.05463	1.0
231.06471	0.5
241.04881	0.8
258.05252	0.7
259.05893	0.4
269.04422	0.3
279.21558	0.2
282.78857	0.2
287.05481	100.0
288.05765	1.2
329.06784	0.4
353.06424	0.4
397.09119	0.3
433.11234	0.5
449.10764	13.9
595.15161	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1655
Annotation	Isorhamnetin 3-alpha-L-arabinopyranosyl-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
55.01848	0.4
57.03437	3.0
66.92500	0.5
69.03406	0.4
70.65113	1.1
71.04990	13.7
73.02917	0.5
83.01326	0.4
83.04975	0.4
85.02902	13.6
85.03419	0.7
86.39613	0.4
97.02903	0.5
103.41367	0.3
115.03970	0.3
119.27098	0.3
121.02865	0.8
123.04424	0.6
125.02394	0.5
126.51906	0.4
129.05481	2.7
137.02345	2.4
148.11159	0.7
149.02332	0.4
163.03918	0.6
167.03383	4.2
179.03409	2.9
197.04362	0.6
197.06023	0.7
215.07091	1.1
243.06531	3.7
271.05991	2.2
287.05481	4.4
288.06131	0.8
299.05539	1.4
317.06543	100.0
318.06860	1.3
329.06439	0.6
359.07639	0.9
371.07675	0.4
427.10007	0.9
445.11368	0.7
449.10779	28.5
450.11172	0.5
463.12653	2.0
536.66211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01854	0.2
55.05510	0.3
57.03432	3.2
60.83922	0.2
68.99780	0.4
69.03416	0.5
69.19137	0.2
70.57213	0.5
71.01343	0.4
71.04987	20.0
73.02899	0.6
75.04483	1.1
83.04980	1.0
83.14378	0.2
85.02897	24.9
87.04450	0.4
88.54125	0.2
97.02875	0.7
105.03370	0.3
109.02907	0.3
111.00782	0.6
111.04427	0.6
121.02836	1.6
127.03915	0.8
129.05470	6.0
133.02907	0.3
137.02359	0.3
145.04959	0.5
147.04373	0.4
147.06526	1.3
153.01804	3.1
154.97833	0.2
157.06488	0.3
160.52454	0.3
165.01782	1.6
172.98994	0.5
183.02869	0.8
185.05942	0.3
213.05411	1.1
231.06519	0.7
241.04904	0.4
258.05157	1.2
259.06067	0.4
287.05469	100.0
288.05884	1.0
299.05606	0.8
307.54535	0.2
329.06549	0.9
353.06805	0.3
379.07950	0.2
449.10773	18.0
450.11221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
57.03430	10.7
60.45181	1.1
64.93709	1.2
69.03425	9.2
71.04992	49.6
71.59644	1.3
71.60053	1.4
73.02905	5.0
75.04484	2.0
83.04980	7.1
85.02901	50.4
95.04977	2.0
99.04427	2.0
106.92158	1.4
111.00791	1.3
111.04438	4.2
112.91789	1.1
115.88523	1.2
117.05472	4.6
121.02873	1.7
129.05469	11.8
137.02344	10.9
147.06503	2.3
153.01828	3.5
153.05550	1.5
163.05972	4.1
165.01828	2.5
195.02789	1.4
219.75433	1.5
229.04895	5.6
249.55090	1.3
257.04333	2.9
287.05396	4.8
299.05420	2.9
302.04181	2.4
303.04993	100.0
315.04950	15.4
316.05835	2.2
327.04980	4.8
329.06577	1.5
341.06479	4.4
345.06018	26.4
353.06506	1.5
367.07968	2.7
369.05896	10.7
395.07507	6.6
413.08627	20.0
431.09537	6.3
449.10791	30.5
462.51132	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85323	2.8
55.01868	4.6
55.05509	21.7
57.03424	11.8
67.05504	33.0
69.03429	5.0
69.07059	9.4
69.42584	17.5
69.42986	8.7
71.04980	7.0
79.05499	27.7
81.02973	4.8
81.03416	56.6
81.07053	38.7
83.04970	11.0
83.08632	18.6
85.02890	4.9
85.06530	5.9
91.05467	25.3
93.07031	23.5
94.07353	3.4
95.04964	21.4
95.08602	13.0
96.02893	2.9
97.02898	4.6
97.06510	7.7
97.10171	19.5
105.07009	18.9
106.07278	3.1
107.04946	11.2
107.08613	16.1
109.06519	12.8
109.10138	11.8
111.08051	5.0
115.05450	4.0
117.07005	9.5
119.08587	17.2
121.01712	3.3
121.06493	13.7
121.10130	11.3
121.23338	3.2
123.04453	3.4
123.08030	5.6
125.09624	15.1
129.07001	8.6
131.08542	12.6
133.06493	4.8
133.10103	12.7
135.08067	8.9
135.11772	4.0
145.06477	6.7
145.10100	8.5
147.08026	6.8
147.11693	8.7
149.09596	10.2
153.01819	5.5
157.10121	8.9
163.11180	5.7
165.12749	3.2
175.11130	7.8
189.11180	6.0
193.12236	9.6
209.11607	3.8
227.12785	3.7
233.15347	4.0
267.15915	38.6
273.14722	7.4
285.09903	3.5
287.05518	5.3
300.58810	3.1
338.32095	4.1
339.23105	5.0
349.21677	6.4
367.22665	24.1
385.23804	29.3
403.24799	14.1
441.26389	7.1
459.27371	100.0
477.22104	5.4
477.28525	76.6
491.29791	13.6
509.31195	5.9
594.36774	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	593.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.01867	16.4
55.05508	43.9
55.05776	2.1
57.03434	12.6
57.07050	1.6
59.04996	2.5
65.03932	4.4
67.05501	73.1
67.06063	2.7
69.03417	10.1
69.07062	23.0
71.04995	8.5
79.01859	1.9
79.05490	64.0
81.02926	2.8
81.03011	1.6
81.03411	63.5
81.07052	100.0
81.11143	1.9
83.04975	34.7
83.08614	39.4
85.02901	27.1
85.06550	5.3
91.05475	59.6
93.07043	52.5
94.07404	2.2
95.01340	2.0
95.04964	44.8
95.08594	29.0
97.02856	3.9
97.06525	12.4
97.10166	28.9
99.04453	5.6
99.08083	3.1
101.02427	1.7
105.07021	45.2
107.04951	14.7
107.08580	28.6
109.02820	2.3
109.06517	23.2
109.10155	16.6
111.04430	28.5
111.08082	18.3
113.05975	4.7
113.08057	1.4
115.05430	2.5
116.06215	1.9
117.07013	16.9
119.08572	37.0
121.06488	12.2
121.10141	20.4
121.16253	1.6
123.04444	2.1
123.08047	35.3
123.11706	4.0
125.05990	3.1
125.09621	27.0
127.03912	2.1
127.14593	1.4
128.06200	3.2
129.05464	2.3
129.06995	18.3
131.08551	23.6
133.06528	4.1
133.10136	17.4
135.08060	13.0
135.11668	17.5
137.06026	2.1
137.09605	7.7
139.11179	2.6
141.06952	2.4
142.07797	4.4
143.08571	6.6
145.06454	2.4
145.10095	17.5
147.08063	11.5
147.11667	17.6
149.09636	11.0
149.13246	2.1
153.01816	20.3
153.02954	2.2
153.09100	3.5
153.12790	9.1
155.08551	2.8
157.10103	15.6
159.08072	2.1
159.11703	6.5
161.09613	6.1
161.13232	2.0
163.11172	24.7
165.09111	6.5
165.12727	4.4
169.10117	2.1
171.10104	2.7
171.11691	2.6
173.09618	5.9
175.11151	14.9
177.12689	3.3
179.03387	3.4
179.10776	2.6
181.12187	12.9
185.13254	4.0
187.11137	1.8
189.09532	2.8
189.11203	26.2
189.12788	2.0
191.10652	10.4
193.12222	47.1
195.11757	2.1
207.14026	1.6
209.11787	3.7
211.13277	54.5
219.13789	1.8
223.13298	7.9
227.12717	23.5
227.17975	2.4
229.80219	1.6
243.15819	1.6
245.19037	2.3
249.14941	2.7
255.17468	2.9
263.20059	2.4
267.15930	10.9
271.06003	4.3
273.18497	29.9
275.20044	5.1
283.15479	5.1
285.16922	29.6
291.19528	78.8
295.27756	1.5
309.20648	5.6
331.22540	3.5
347.22165	5.3
365.23242	20.0
369.13080	1.6
446.54379	1.7
465.29849	3.2
483.30923	2.9
501.32083	2.9
539.33337	4.2
557.34967	16.5
575.35767	30.4
593.37079	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	3.7
53.03936	7.0
55.01871	23.3
55.05507	44.5
57.03431	19.4
65.03931	6.9
66.10588	2.7
67.05495	100.0
69.03417	11.3
69.07051	35.2
69.16128	2.8
71.04976	14.0
79.05485	78.6
81.03413	52.0
81.07050	97.0
83.04982	26.7
83.08620	25.3
85.02888	17.7
85.06503	7.5
91.05467	72.2
93.07034	70.8
95.04961	37.2
95.08588	42.3
97.02887	10.5
97.06521	32.2
97.10152	16.7
99.04437	3.4
99.08034	4.8
105.07022	54.9
107.04960	20.5
107.08592	50.4
109.06477	15.2
109.10146	29.5
111.04423	7.1
111.08063	10.4
113.06017	4.5
115.05432	6.3
117.06982	19.2
119.08575	40.2
121.06498	12.7
121.10139	24.4
121.54147	3.0
123.08044	13.7
123.11685	9.1
125.09633	17.3
126.61166	2.9
127.03939	6.9
129.05461	7.1
129.06987	15.5
131.08578	21.6
133.06493	8.8
133.10127	39.1
135.08063	9.1
135.11671	21.8
137.09610	8.1
139.11162	5.0
143.08542	8.3
145.06462	6.6
145.10103	22.8
147.08037	8.5
147.11674	24.4
149.09650	20.0
149.13246	10.2
151.11194	8.3
153.01801	25.0
155.08594	6.8
157.08856	3.6
157.10129	15.9
159.08081	6.0
159.11670	13.4
161.09615	9.0
161.13237	4.9
163.11122	17.9
165.12775	4.8
169.10083	3.8
171.11700	6.3
173.09560	3.1
173.13248	3.4
175.11183	11.3
177.09103	3.8
177.12782	5.9
181.12289	5.0
183.11713	3.7
185.13167	3.3
189.11203	5.5
189.12708	3.9
191.10657	3.1
191.14226	4.1
193.12181	25.6
209.11679	4.0
210.31596	4.1
211.13237	22.1
227.12730	15.5
229.14343	5.1
253.14293	6.3
257.18985	4.8
267.15784	8.6
269.17542	6.7
271.05954	6.3
273.18460	20.7
275.20023	33.0
283.15497	3.6
285.16931	19.4
291.19540	38.1
293.21347	6.5
301.16418	12.1
309.20557	3.7
347.22195	7.2
349.23703	10.8
365.23236	14.5
557.34320	10.4
562.49420	3.4
575.35596	19.6
593.32813	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2748
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
53.51336	0.2
69.26030	2.1
74.54721	0.2
77.74908	0.2
79.07433	0.2
86.46413	0.2
87.38422	0.2
98.21523	0.5
128.39777	0.2
140.17859	0.2
149.07681	0.2
178.21455	0.2
294.09769	0.2
295.96310	0.2
389.17712	0.6
390.18558	0.3
401.17581	0.3
402.18555	0.5
403.19162	1.8
404.19919	0.5
405.20795	0.8
415.19583	0.3
416.20123	0.5
417.16275	0.5
417.21347	2.2
418.21793	1.3
419.22281	2.9
421.23810	0.3
430.17654	0.5
431.18256	5.5
432.18628	1.7
433.24258	3.9
434.24530	1.1
437.82602	0.2
438.95313	0.3
444.19061	0.3
445.19925	6.3
446.20752	3.7
447.21780	3.9
449.23657	0.4
459.21432	2.9
460.22534	10.3
461.23334	8.4
462.24283	0.3
463.21268	0.3
473.23843	1.7
474.24130	0.7
476.25812	0.7
477.22592	0.7
487.24881	0.9
489.27390	0.4
491.25137	0.5
492.25159	1.3
493.26294	0.3
505.21802	5.3
515.23767	0.3
518.23126	0.6
519.23816	0.8
520.24744	0.3
533.25439	23.3
534.26013	0.7
550.25452	0.3
561.24652	0.3
564.23328	0.6
565.28058	0.8
593.27521	100.0
594.27533	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	593.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.4
55.01872	10.4
55.05510	46.7
57.03427	14.8
60.99747	3.2
65.03945	5.3
67.05502	74.2
69.03419	11.7
69.07065	30.7
71.04990	11.9
71.59879	4.4
79.05488	69.1
81.03410	60.5
81.07054	100.0
83.04987	25.7
83.08616	28.2
85.02913	10.3
85.06524	4.8
88.84302	3.1
88.89131	3.4
91.05466	62.6
93.07043	61.5
94.07355	3.4
95.04973	34.5
95.08603	36.7
96.05311	3.6
97.02889	8.2
97.06528	13.9
97.10150	20.4
99.04503	3.7
105.07037	47.3
107.04956	13.0
107.08587	35.3
109.02856	3.7
109.06512	11.4
109.10168	17.8
111.04423	6.0
111.08063	7.1
115.05457	4.4
117.07009	14.1
119.08592	39.9
121.06497	6.7
121.10132	20.8
122.74574	3.2
123.08061	39.7
123.11712	13.3
125.09657	22.6
127.03975	5.5
129.07008	11.0
131.08546	21.0
133.06528	8.9
133.10129	22.6
135.08032	10.2
135.11699	16.0
137.09613	7.3
143.08549	7.0
145.10123	12.6
147.08046	11.5
147.11697	15.5
149.09607	9.0
151.11185	6.9
153.01855	13.7
153.09149	4.3
157.10153	9.9
159.11739	8.3
161.09605	7.7
163.11221	9.5
165.09148	6.6
165.12766	9.3
169.10097	3.7
169.12283	6.8
171.11693	5.5
173.09512	5.5
175.11171	10.9
177.12741	6.3
181.12189	4.5
187.13246	7.4
189.11220	11.7
193.12241	32.0
195.13776	5.2
211.13264	33.7
219.13921	3.7
223.13316	9.1
227.12743	17.9
243.15724	4.3
267.15778	16.8
269.17490	5.8
273.18472	28.5
275.20004	13.4
283.15393	4.1
285.16873	25.6
291.19522	57.4
347.22125	4.8
365.23145	22.9
454.75070	4.5
557.34473	12.5
575.35614	32.1
593.32611	11.1
593.39972	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79515	0.3
59.08386	0.3
120.53095	0.3
135.26176	0.3
156.25427	0.4
306.56796	0.4
382.28412	0.3
389.17847	1.1
402.18494	1.3
403.19055	2.7
404.20056	0.9
405.20816	1.8
406.21545	0.4
416.20154	1.0
417.21378	3.4
418.21536	1.4
419.22421	2.9
430.17603	1.1
431.18225	7.3
431.23392	0.5
432.19363	1.1
432.23865	0.7
433.23987	6.5
434.24963	0.9
444.19089	0.4
445.19940	9.0
446.20706	3.3
447.21750	4.2
449.23309	0.5
450.79144	0.4
459.21646	3.2
460.22562	12.1
461.23251	10.3
461.29395	0.4
473.23718	2.2
474.24103	0.8
476.25711	1.0
477.22354	0.6
487.24847	1.2
489.26886	0.5
491.24600	0.6
492.25079	0.9
505.21799	3.7
518.23065	0.5
533.25482	40.7
534.25812	1.2
565.27985	1.0
572.74402	0.4
575.26855	0.7
593.27563	100.0
594.27924	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	593.1862
Annotation	Kaempferide 3,7-dirhamnoside
Peak:m/z	Relative Intensity
54.79544	0.4
57.03440	2.2
64.20762	0.6
70.62976	1.4
71.04993	15.0
73.02943	0.6
79.01853	0.5
83.04967	1.1
85.02904	16.1
97.02856	0.5
111.19793	0.5
121.02873	1.8
123.04416	0.6
127.03886	0.6
129.05487	4.2
143.03389	0.8
153.01820	7.5
167.03384	1.9
179.03392	2.6
225.38086	0.4
227.07043	1.4
255.06468	0.8
269.17429	0.5
271.05954	2.2
272.06787	0.9
287.05334	0.5
299.05237	0.7
301.07056	100.0
302.07379	1.5
314.08139	0.4
325.07266	0.6
331.04288	0.6
429.12039	0.8
447.12903	26.2
448.13330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
57.65686	0.3
61.02908	0.5
69.03419	0.5
71.59668	0.6
72.99510	0.3
76.10098	0.3
76.83787	0.3
76.89727	0.3
81.07043	1.0
85.02905	1.2
87.97209	0.3
95.08640	0.3
97.02866	0.4
107.04950	0.4
123.04423	1.5
127.03841	0.5
135.04408	0.3
137.02354	0.5
137.05974	1.6
139.03886	0.8
147.04408	0.6
151.03938	0.5
153.01822	3.2
160.61385	0.4
161.05939	0.4
163.03932	0.7
175.03682	3.2
179.03467	1.1
189.05200	1.9
207.06413	0.4
213.70026	0.4
219.06259	5.6
234.08618	21.5
235.09296	0.8
237.02968	0.5
247.09468	0.5
250.07976	0.4
271.06116	0.6
287.05460	5.1
287.08411	0.4
289.07236	0.4
301.07043	0.7
303.04980	0.4
351.10516	7.8
363.10684	0.8
365.12033	8.8
381.11371	0.8
384.05087	0.4
431.09875	2.6
431.16812	6.9
461.95782	0.4
556.79315	0.4
563.21405	0.5
593.22058	100.0
594.21985	2.6
606.68402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
57.03436	3.5
64.60134	0.6
69.03421	0.8
70.98211	1.2
71.04991	25.2
73.02899	2.4
75.04433	1.0
83.04979	0.9
85.02901	26.0
86.10719	0.6
87.04473	1.3
111.00809	1.0
113.47363	0.6
121.02866	0.9
127.03877	0.6
129.05504	4.9
137.02333	4.0
147.06508	1.3
149.02260	0.7
153.01822	6.0
156.99442	0.7
163.03903	1.0
165.01778	1.8
178.28398	0.5
183.02899	1.5
201.05443	2.3
211.15590	0.6
229.04947	5.0
247.05966	0.6
257.04446	3.8
274.04645	1.1
285.03799	1.7
287.05496	2.9
303.04977	100.0
304.05374	1.7
315.05048	1.9
327.04764	0.7
334.19583	0.7
345.06033	2.0
413.08716	0.9
431.09790	2.0
447.09210	49.7
448.09531	1.3
449.10556	0.9
557.12842	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	3.5
53.03944	8.6
54.80389	2.5
55.01873	23.9
55.05510	43.3
57.03437	11.2
57.07062	4.2
59.05009	3.1
61.02904	4.2
65.03924	3.5
67.05504	100.0
68.69207	2.5
69.03427	9.3
69.07072	28.0
71.04987	10.9
71.60784	3.8
72.29116	2.3
73.06590	2.6
79.05490	78.0
81.03408	25.8
81.07053	93.4
81.07518	5.9
83.04977	23.1
83.08613	21.5
85.02914	4.3
85.06551	11.7
86.27638	2.7
90.01298	2.4
91.05476	75.5
93.07040	74.6
95.04957	34.7
95.08609	35.6
97.02917	7.5
97.06528	18.7
97.10164	27.8
99.04445	3.1
103.56300	3.1
105.07026	60.3
107.04959	23.5
107.08585	42.8
109.02883	3.6
109.06512	11.4
109.10144	28.5
111.04423	14.2
111.08089	10.8
115.05426	4.7
117.07020	27.5
119.08584	36.5
121.06496	11.1
121.10135	34.6
123.04496	4.7
123.08070	7.4
123.11704	10.4
125.09649	19.0
128.06190	6.2
129.06982	16.7
131.04948	3.3
131.08568	33.9
133.06529	7.6
133.10127	35.0
135.08063	12.8
135.11697	25.8
137.09615	8.0
138.93250	2.4
139.11163	3.1
141.06958	4.4
143.08527	15.5
145.06493	4.4
145.10114	33.3
146.80331	2.6
147.08038	10.3
147.11694	20.6
149.09584	20.8
151.11188	5.4
153.09062	3.2
155.08575	11.0
157.10164	12.0
159.08026	7.1
159.11700	15.1
161.09654	8.5
161.13306	6.2
163.11169	17.9
165.12697	3.4
167.08514	3.3
167.10738	4.8
169.10114	7.8
171.08032	3.8
171.10338	3.1
171.11725	12.0
173.09660	9.4
173.11792	4.6
173.13258	4.2
175.11183	10.3
181.10071	4.5
181.12045	3.8
183.11723	6.6
185.13293	5.0
187.11166	5.3
189.11226	13.7
189.12790	4.6
191.10716	9.3
193.12260	10.6
195.11766	3.4
197.11717	3.4
197.13467	3.0
201.12778	3.2
209.11674	12.7
211.11308	3.1
211.13219	5.9
223.13293	6.1
225.14786	3.7
227.12793	30.9
249.14847	5.0
257.19022	5.1
259.15430	5.0
259.20651	6.3
265.14401	3.2
267.15915	8.9
273.18561	14.2
275.20099	13.0
277.21832	4.2
283.15454	8.7
289.17932	4.6
291.19516	35.4
292.19904	2.8
297.22113	6.5
299.20111	6.1
301.21695	3.1
313.21741	3.8
315.17798	3.1
315.23007	6.6
317.20770	3.6
329.21149	3.4
331.22632	3.3
333.24170	5.0
347.22061	7.0
349.23608	3.8
395.37558	2.8
447.27856	4.2
449.31039	5.4
467.31491	4.1
523.34161	4.4
541.35181	27.9
559.36462	16.8
573.35791	10.1
591.37762	30.6
592.26459	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2594
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
67.05502	1.0
70.84585	1.0
70.84921	1.4
74.32896	0.7
81.89709	0.8
119.92104	0.7
124.11434	0.8
130.34584	0.7
140.50966	0.7
213.33466	0.7
401.17578	0.9
414.18481	0.8
415.19217	3.7
416.20123	1.1
417.20325	0.9
429.20926	5.8
430.21631	3.5
431.22324	1.7
443.22614	1.7
444.23587	5.0
445.23956	4.4
457.24246	1.4
458.25186	0.8
459.21460	3.1
459.26041	2.2
472.22739	2.6
473.23401	5.2
474.24231	2.4
475.25052	1.0
485.23193	1.5
486.24228	1.1
487.24905	20.1
489.23013	1.5
490.23419	1.4
503.24561	2.6
531.23901	12.7
532.24323	4.6
576.23926	0.8
591.25995	100.0
592.26428	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.3
55.01868	25.0
55.05515	41.1
55.87982	2.9
57.03439	24.8
62.68187	4.3
65.03931	5.8
67.05507	100.0
67.05865	4.9
69.03436	9.6
69.07076	27.3
69.75849	3.1
71.01359	4.1
71.04993	12.6
71.60609	4.2
71.84813	2.9
72.93606	2.8
76.44086	2.9
79.05495	89.9
81.03419	55.8
81.07057	96.8
83.04983	30.8
83.08619	20.3
85.02906	16.2
85.06541	10.7
91.05482	98.9
93.07048	80.5
95.04967	63.4
95.08612	44.3
97.02890	8.3
97.06528	15.6
97.10161	12.3
103.05453	8.3
105.07030	83.2
107.04962	67.2
107.08582	44.0
108.05676	3.4
109.02882	4.7
109.06522	25.9
109.10143	21.3
111.04427	19.4
111.08097	13.7
112.05209	4.7
113.06013	9.1
115.05490	4.3
117.07026	30.0
118.31625	3.0
119.04942	10.1
119.08572	46.6
121.06524	15.9
121.10160	23.5
122.07267	12.4
123.04411	10.4
123.08077	12.6
123.11700	9.2
125.05997	5.6
125.09619	8.5
128.06226	9.1
129.07021	23.4
131.04956	5.7
131.08568	42.5
133.06523	20.5
133.09233	4.7
133.10133	43.7
135.08054	21.2
135.11705	19.0
137.09601	7.7
141.06973	7.5
142.07825	3.9
143.08566	17.3
145.06464	16.3
145.10094	30.2
147.08044	29.9
147.11671	21.2
149.05989	6.3
149.09625	13.3
149.13322	5.5
151.11212	7.8
155.08586	8.6
157.10187	15.2
159.08069	11.6
159.11691	14.5
159.41039	3.5
161.09660	20.9
163.07436	3.7
163.11177	18.2
165.09152	4.1
171.07977	4.1
171.11710	7.5
173.09673	7.8
173.13292	3.8
175.11160	15.7
177.12730	5.9
181.12256	4.5
185.13278	4.3
187.11214	3.7
187.14772	4.2
189.11201	5.5
191.10687	7.9
193.12227	21.9
201.12849	4.4
203.14265	3.4
207.13785	4.5
209.11775	14.4
211.13307	19.8
213.12791	3.6
215.14320	6.5
223.13177	6.7
227.12738	7.6
233.15367	17.6
238.06604	3.4
245.18900	4.8
249.14932	4.6
251.16364	3.1
261.15002	5.0
267.15930	19.0
273.18512	16.8
275.20108	19.8
283.15262	6.7
285.17023	4.5
289.17938	6.7
290.18756	10.9
291.19522	25.6
293.21121	6.3
299.14795	5.8
307.19080	7.1
323.18542	3.5
347.22235	7.4
349.24014	6.0
381.22705	7.2
517.31775	9.3
527.30457	3.9
541.35217	4.2
545.30798	25.2
546.75513	3.5
555.33252	4.2
573.34491	19.7
591.35278	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	591.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30474	0.5
57.60619	0.4
63.56966	0.4
69.03410	0.7
69.31889	5.0
70.06571	0.6
71.01371	0.6
71.04973	0.4
72.93778	0.4
78.96622	0.5
81.03407	0.6
85.02900	1.7
97.02937	0.5
98.20712	0.9
105.07005	0.6
116.67539	0.5
121.06508	0.5
123.04449	1.8
127.03926	1.0
131.04961	0.9
132.71127	0.5
133.06459	0.4
137.02304	2.1
137.05927	0.9
139.03893	1.6
143.03426	0.6
147.04369	0.8
149.05923	0.6
151.04042	0.5
153.01826	2.7
161.01173	0.5
161.06062	1.1
163.03903	1.4
165.76779	0.4
175.03690	3.6
185.04282	1.3
198.27904	0.5
203.07117	0.6
204.28969	0.4
217.04712	2.2
219.06291	3.0
224.94803	0.7
229.74307	0.4
232.07051	22.1
233.07808	0.6
241.86815	0.5
242.95784	1.0
247.06152	0.6
264.88629	0.5
277.70468	0.5
277.81799	0.4
285.03937	0.9
303.05103	0.9
312.55252	0.4
337.08887	0.6
351.10489	12.0
363.10434	1.1
365.12061	10.2
375.63345	0.5
381.11688	1.0
429.15170	5.1
439.06787	1.3
451.06937	0.7
561.19574	1.3
573.10486	0.5
591.20447	100.0
592.20660	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	589.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58696	7.6
55.05508	23.5
57.03430	7.1
57.07079	58.9
62.51267	5.6
67.05497	50.5
69.07056	26.4
71.08620	41.7
71.09226	6.0
71.59092	13.0
71.68304	6.1
79.05489	30.1
79.72697	7.0
81.05728	6.8
81.07060	47.2
83.08635	13.8
85.10185	7.7
91.05489	41.0
93.07047	43.9
95.08604	47.8
105.07046	54.0
106.39964	5.9
107.08598	26.1
109.10130	15.9
117.07013	24.0
119.08596	53.5
121.10190	13.6
129.07028	8.6
131.08595	18.7
133.10138	32.3
135.11676	19.6
143.08606	11.2
145.10155	16.5
147.11696	45.3
149.13269	10.7
156.09273	7.2
157.10091	7.1
159.11684	15.2
161.13234	41.4
173.13275	13.6
175.14857	19.3
185.13266	8.0
214.99905	6.9
241.19540	41.6
259.20572	100.0
281.15460	6.0
313.27301	92.8
333.24219	58.7
352.76636	7.4
475.47455	7.0
571.46014	8.0
589.48175	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	589.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05265	1.6
55.05510	18.7
57.03432	10.1
57.07072	40.4
67.05499	37.9
69.07067	15.5
71.02467	3.4
71.02820	2.1
71.04988	2.7
71.08627	32.2
75.56947	1.5
79.05489	33.1
81.07053	49.1
82.26245	2.1
83.08607	14.9
85.06532	3.6
85.10167	16.2
89.06009	1.5
91.05474	43.8
93.07035	37.1
95.04955	3.3
95.08604	47.2
97.10159	5.8
99.08102	4.3
105.07024	48.9
107.08589	24.5
107.31905	1.7
109.10143	14.7
111.11722	2.0
117.07023	10.3
119.08572	45.4
121.10139	15.9
123.11677	4.2
127.21992	1.5
128.05067	1.6
129.06963	7.3
131.08556	19.2
133.10120	36.0
135.11690	17.6
137.13208	1.9
143.08545	8.1
145.10107	15.7
147.11676	43.5
149.09576	1.5
149.13255	9.3
151.11145	3.8
155.06937	1.5
157.10133	6.7
159.11670	15.9
161.13249	36.8
163.11255	2.3
163.14798	5.2
171.11668	13.6
173.13266	10.9
175.11136	2.1
175.14825	16.9
179.14374	1.9
185.13177	9.9
187.14813	4.3
189.12679	1.8
199.14824	7.2
206.25607	2.0
213.16455	2.0
217.19649	3.1
231.20988	8.8
239.23706	5.9
241.19472	39.6
257.24692	3.0
259.20557	100.0
275.20050	2.9
277.21408	3.5
313.27328	96.6
315.23126	8.0
333.24210	51.1
351.25137	3.6
388.73410	1.7
405.04861	1.4
459.16357	1.7
571.47168	11.1
589.48596	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	589.373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.7
52.08578	2.3
53.03938	11.5
55.01863	13.7
55.05510	35.6
57.03430	10.7
64.10490	2.2
64.92967	2.1
65.03922	4.6
67.05499	96.1
69.03416	5.2
69.07064	31.2
69.38625	1.9
69.38921	21.1
71.04980	7.1
73.06561	3.4
73.13970	2.1
79.05488	98.2
81.03412	15.9
81.07050	96.6
83.01334	2.7
83.04972	18.8
83.08615	16.6
85.02906	2.9
85.06546	7.3
87.04447	2.4
87.11290	2.1
91.05472	100.0
93.07037	94.0
95.04960	35.7
95.08597	52.2
97.02900	3.5
97.06530	11.3
97.10155	7.1
98.06126	2.8
98.20761	3.4
99.04420	3.5
99.08127	2.8
103.05440	4.4
105.04527	3.7
105.07019	81.1
107.04942	15.7
107.08578	47.7
109.02876	2.3
109.06512	16.9
109.10146	40.3
111.04419	4.7
111.08079	9.3
113.05994	4.7
115.05456	5.4
117.07012	21.5
119.08576	41.0
121.06472	17.2
121.10133	16.4
123.04442	3.8
123.08104	14.9
123.11659	6.6
125.04472	2.5
125.05972	2.8
127.07552	4.1
128.06227	8.0
129.06981	22.4
131.08549	21.9
133.06470	10.3
133.10121	60.1
135.08037	9.1
135.11682	11.4
137.09573	3.5
139.07550	3.4
141.09105	2.3
143.08554	20.0
145.10126	21.0
147.08049	10.9
147.11679	37.1
149.09654	9.1
149.13225	5.0
151.07623	2.9
151.11159	25.8
155.08528	2.9
157.10133	9.1
159.11685	5.4
161.09608	16.4
161.13229	16.1
163.11151	4.1
165.09047	3.1
169.10161	3.3
169.12279	6.5
171.11647	34.6
173.09650	2.8
173.13255	2.7
175.11185	6.9
183.11661	2.8
185.13271	5.3
189.12723	18.9
199.11311	2.5
207.13783	28.0
213.16368	2.7
215.12743	7.1
231.17194	2.6
245.19035	16.0
253.14336	56.0
255.17407	3.3
263.20071	11.7
267.15878	3.2
271.15610	2.4
273.18475	50.1
281.17493	55.2
291.19513	90.5
292.19919	3.3
301.21658	5.5
309.20541	9.8
331.95514	2.4
347.22260	8.5
365.23105	29.8
391.63611	2.8
461.30472	4.1
474.91495	2.5
477.28403	13.8
545.09406	2.6
553.34961	8.2
571.36188	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.5
55.01874	11.4
55.05508	21.9
57.03434	25.1
65.03938	5.1
67.05501	75.9
69.03416	4.6
69.07064	14.0
71.04993	5.4
71.60516	2.5
73.06562	2.4
77.03902	1.6
79.05489	76.3
80.58184	1.4
81.03410	9.8
81.07050	57.5
83.04971	11.2
83.08605	9.9
83.24227	1.4
85.06541	19.7
91.05476	64.2
93.07036	63.5
95.04967	77.7
95.08598	34.6
95.09160	2.7
97.02888	2.5
97.06528	10.7
97.10176	4.9
105.07028	47.9
107.04948	20.8
107.08595	28.5
109.06514	60.7
109.10133	8.6
111.04409	1.7
111.08040	2.8
113.06004	50.6
115.05485	3.1
117.07015	18.4
119.04910	2.2
119.08570	28.9
121.06512	7.3
121.10123	10.9
123.08073	7.5
125.09634	2.2
128.06230	6.5
129.07011	19.7
130.07785	1.8
131.08557	25.3
133.06480	6.3
133.10136	15.8
135.08051	46.8
135.11639	8.0
137.09624	3.5
141.07007	3.2
141.09132	1.7
142.07806	2.1
143.08548	16.7
145.06451	2.2
145.10091	15.1
147.08037	10.0
147.11684	21.8
149.09593	6.1
149.13272	5.7
151.11209	2.1
155.08533	3.2
157.10112	8.6
159.08043	4.0
159.11650	6.6
161.09607	11.8
161.13220	7.4
163.11200	6.1
165.09193	2.4
169.10126	3.1
171.11678	17.7
173.09605	2.2
173.13281	4.9
175.11256	3.6
177.11082	1.9
177.12811	4.3
179.14299	1.9
183.11697	2.5
185.09616	1.7
187.11230	2.5
187.14722	1.9
189.11235	1.5
189.12766	6.2
189.16345	1.8
193.12273	1.9
195.11787	1.9
195.13847	4.3
199.14890	4.0
207.13797	10.8
217.15833	14.1
219.13777	2.4
223.13173	3.5
227.18089	1.8
233.15331	1.9
237.16493	1.9
241.14236	1.9
245.19032	3.7
255.17450	5.2
273.18469	46.0
275.20163	3.1
279.15744	8.2
281.17447	39.7
285.06256	1.5
291.19528	100.0
297.16769	1.8
303.19293	2.0
309.20529	2.2
329.21130	1.6
347.22128	10.5
349.57581	1.6
358.16708	1.7
365.23190	11.2
472.17902	1.7
479.66946	1.5
513.31891	1.6
553.35144	7.9
571.36279	35.1
572.36511	1.6
589.34552	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01855	6.7
55.05508	36.6
57.03428	5.2
57.07051	2.2
65.03927	4.3
67.05500	52.1
69.03424	7.8
69.07061	25.5
69.33608	16.5
71.04980	3.9
79.05488	67.4
81.03413	13.1
81.07054	51.1
83.04969	11.8
83.08618	16.2
85.02906	4.0
85.06535	2.6
91.05479	52.4
93.07039	58.6
95.04961	27.0
95.08604	29.5
97.02863	4.5
97.06532	8.0
97.10163	19.8
103.05460	2.5
105.06377	3.1
105.07030	43.8
107.04916	11.9
107.08596	22.8
109.02851	1.5
109.06527	7.2
109.10149	11.6
111.04454	2.0
111.08064	3.8
115.05437	1.8
117.07027	12.2
119.04890	2.1
119.08585	29.4
121.06499	7.9
121.10154	11.0
123.08060	19.5
123.11678	3.4
125.09624	13.2
128.06178	3.5
129.06995	18.2
130.07768	2.7
131.08572	11.7
133.06485	6.5
133.10133	13.9
135.08031	4.8
135.11707	3.3
137.09625	4.1
143.08542	10.4
145.10123	10.9
147.08029	9.7
147.11662	25.6
149.09683	3.2
155.08501	2.6
157.10168	4.3
159.11667	4.6
161.09608	5.1
161.13235	11.3
163.11153	4.8
165.09113	3.5
168.24223	1.6
169.10075	2.6
169.12164	3.7
171.10255	2.9
171.11694	17.6
175.11212	3.9
177.12785	1.9
185.13232	2.4
187.13269	4.0
189.11176	7.4
189.12796	7.9
193.12228	2.5
205.12260	2.2
207.13800	19.8
223.13220	10.8
225.14841	2.9
227.12788	14.8
245.18962	4.0
249.14954	4.0
267.15863	1.9
273.18469	29.3
275.20074	2.2
281.17435	40.7
291.19522	100.0
292.19846	3.0
327.23172	2.9
347.22165	4.8
365.23218	26.6
451.27145	4.0
473.29022	2.9
491.29788	2.5
538.76093	1.9
553.35052	2.9
571.36292	75.2
572.36597	3.9
589.37152	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.0
55.01865	11.7
55.05512	29.3
57.03437	18.1
65.03943	5.2
67.05501	87.6
69.03455	3.5
69.07076	20.4
71.04987	6.5
71.11459	6.8
79.05492	83.0
81.03426	15.8
81.07053	78.9
83.04974	19.6
83.08627	14.7
85.06541	12.6
91.05478	76.5
93.07038	76.3
94.10503	2.6
95.04966	53.8
95.08607	39.8
95.96898	2.8
97.06528	9.9
97.10146	4.4
99.08102	4.1
105.07034	61.7
107.04964	13.4
107.08595	37.5
109.06515	36.5
109.10181	23.2
111.04470	3.8
111.08069	4.1
113.05995	27.1
115.05482	3.8
117.07008	19.9
119.08579	38.4
121.06490	11.6
121.10143	11.4
123.04414	5.4
123.08074	11.4
123.11684	4.7
125.05910	3.0
125.09612	4.8
128.06287	3.0
129.07010	21.7
131.08545	22.1
133.06497	9.4
133.10136	37.8
135.08041	22.5
135.11728	8.7
137.05951	3.2
137.09601	3.7
139.07509	3.7
140.14505	3.1
141.07011	3.3
143.08537	15.6
145.10100	22.8
147.08049	11.4
147.11693	33.7
149.09627	8.5
151.11172	15.8
157.10172	8.9
159.11702	10.2
161.09660	18.1
161.13245	12.8
163.11172	4.4
165.09097	4.1
171.11688	22.7
173.09631	5.9
175.11093	3.3
177.12762	3.8
179.14433	3.0
185.13197	4.3
187.11198	3.7
189.12796	10.9
195.11745	3.5
207.13791	18.9
217.12352	3.5
217.15802	5.8
225.14746	3.3
245.18996	11.5
253.14355	30.4
255.17665	3.6
263.20044	6.4
273.18515	47.8
281.17468	55.0
281.20453	1.8
291.19528	100.0
309.20724	3.9
328.54562	2.8
347.22186	8.5
365.23181	21.4
477.28583	9.8
529.35510	3.3
553.35236	10.2
571.36188	47.4
589.36884	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	589.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	11.5
55.01874	13.6
55.05507	42.5
57.02428	2.7
57.03426	9.8
59.04997	2.4
65.03939	7.3
67.05500	87.8
68.05830	2.7
69.03414	6.8
69.07062	27.0
71.04986	9.4
71.60002	2.2
77.03907	2.7
79.05488	100.0
81.03435	16.7
81.07048	95.3
83.04968	20.8
83.08614	15.0
85.02907	4.8
85.06534	7.0
91.05473	94.4
93.07036	85.6
95.04964	35.9
95.08607	45.1
97.06522	9.8
97.10168	8.4
99.04478	2.3
99.17867	2.8
103.05476	5.0
105.07023	75.1
107.04950	16.6
107.08583	45.4
107.91344	2.5
109.06495	15.1
109.10159	40.5
110.96937	2.5
111.04435	6.0
111.08067	7.6
117.07007	20.9
119.08576	40.6
121.06506	14.1
121.10142	16.4
123.04424	7.3
123.08088	11.7
123.11728	5.1
125.09653	5.2
125.62650	2.7
128.06189	4.1
129.06976	24.1
131.08563	20.5
133.06538	12.5
133.10118	48.4
135.08047	10.8
135.11679	12.5
137.05946	3.6
137.09586	3.7
139.07538	5.2
141.07011	3.8
142.07727	2.6
143.08548	21.5
145.06459	3.5
145.10097	21.4
147.08040	11.1
147.11681	30.3
149.09631	8.6
151.11179	22.5
155.08533	5.2
157.10133	10.8
159.08044	5.5
159.11685	11.9
161.09605	18.8
161.13237	13.7
163.11192	6.7
169.10175	5.3
169.12254	5.7
171.11685	27.2
173.13176	3.4
175.11227	6.2
177.12776	5.3
181.10135	3.8
187.11168	3.7
189.11250	2.7
189.12779	11.6
207.13774	23.0
213.42313	2.6
215.12749	5.0
217.12305	3.0
223.13309	3.3
225.14812	3.9
227.17969	3.1
233.15146	2.5
245.18936	18.8
253.14297	46.2
263.20053	7.2
273.18475	51.4
281.17432	46.8
283.20374	2.9
291.19516	77.4
309.20688	9.2
337.26404	2.6
347.22055	10.3
365.23218	36.2
477.28470	8.2
553.35205	8.3
571.36163	55.6
572.36829	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	589.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.4
53.41922	2.4
55.01867	11.4
55.05509	29.3
57.03432	11.1
57.65729	2.1
60.62729	2.2
65.03933	3.8
67.05161	4.8
67.05503	65.3
69.03426	5.4
69.07068	17.8
71.04990	8.6
71.59069	2.8
79.05493	79.7
81.03415	16.1
81.07056	100.0
82.84777	2.3
83.04984	22.9
83.08614	18.9
85.02911	5.1
91.05479	59.6
93.07045	56.8
95.04961	32.2
95.08607	29.9
97.02910	2.8
97.06535	11.0
97.10163	15.2
99.04472	3.3
99.08066	4.5
103.05515	3.5
105.04485	3.0
105.07039	50.2
107.04942	17.5
107.08598	33.1
109.02890	4.5
109.06512	15.4
109.10152	15.1
111.04421	12.1
111.08079	8.0
115.05442	3.3
117.07014	17.9
119.08588	32.7
121.06516	8.6
121.10148	13.1
123.08083	20.1
123.11687	3.0
125.09634	11.3
127.07558	2.5
128.06223	3.5
129.07014	18.0
129.08508	2.5
131.08606	17.1
133.06532	5.8
133.10150	14.5
135.08017	7.3
135.11687	9.5
137.09601	3.4
143.08537	11.7
145.06480	5.2
145.10123	18.1
147.08047	8.7
147.11659	22.9
149.09619	4.4
149.13289	3.0
151.11299	3.5
153.09117	3.7
153.12799	7.7
155.08591	3.2
157.10130	7.4
159.08031	5.1
159.11714	8.2
160.81192	2.4
161.09641	10.8
161.13261	8.3
163.11203	15.0
165.09123	3.4
168.09344	3.6
169.10037	3.2
171.11676	15.4
173.09705	2.7
173.13319	3.5
181.12254	6.3
189.11212	13.7
189.12794	7.2
191.10669	6.3
197.13210	3.5
207.13785	11.7
223.13182	5.5
225.14806	4.7
227.12802	14.9
255.17677	2.9
273.18524	26.5
275.19812	2.8
281.17450	23.4
283.15442	3.5
291.19556	49.5
306.16385	2.4
341.16623	3.2
347.22314	5.6
365.23254	10.6
543.33478	2.8
571.36542	20.7
589.37347	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	589.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.0
55.01872	1.9
67.05495	1.1
68.99788	1.4
69.03417	0.8
71.05000	0.8
71.59621	0.7
79.01839	3.3
79.05492	3.0
81.07065	1.1
85.02901	1.7
91.05493	1.2
95.04976	1.5
97.02890	1.5
105.88531	0.6
107.04935	4.4
116.98749	0.6
119.04929	2.2
120.08101	0.7
121.02876	5.1
123.04429	30.7
125.02364	2.2
133.06467	0.7
135.04411	8.9
143.03372	4.1
145.02870	1.7
145.10059	0.7
147.04410	14.7
153.01828	37.1
153.02864	1.3
163.03899	13.5
165.01826	1.3
165.05496	4.7
169.06517	0.9
179.03323	0.6
183.02943	1.6
189.05531	1.0
191.03391	100.0
197.05978	3.1
201.05527	1.4
203.03365	2.6
207.06496	1.1
225.05510	0.8
243.06517	17.2
255.06599	2.2
273.74985	0.6
285.07562	38.4
297.07596	0.9
317.06488	1.5
325.07217	1.7
343.08054	4.0
377.10114	0.9
397.74472	0.7
419.11301	4.6
437.12372	1.1
516.54401	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.6
55.01871	1.2
63.64806	0.4
65.03946	0.8
67.05497	1.6
68.99786	1.1
69.03423	1.1
70.06534	0.5
71.60596	0.7
79.01849	7.6
79.05485	1.3
80.99478	0.5
81.03413	1.1
85.02879	0.8
87.41579	0.5
89.03886	0.5
91.05488	1.8
92.32813	0.4
93.03397	1.0
93.07008	0.5
95.01347	0.5
95.04971	2.5
97.02879	1.9
105.03371	1.0
105.07001	1.0
107.01327	1.5
107.04939	2.1
110.24731	0.4
110.48402	0.4
115.05454	0.7
119.04950	5.1
121.02853	4.2
123.04421	70.5
124.04798	0.7
125.02374	5.1
131.04938	0.5
133.06512	1.5
135.04393	6.6
137.02347	1.1
137.05937	0.5
139.03880	1.3
141.01698	0.5
143.03397	10.8
143.04578	0.8
143.04845	0.6
147.04401	26.2
149.02377	0.6
153.01820	100.0
153.02837	4.2
154.02153	0.7
157.06427	0.5
161.05991	2.4
163.03896	8.1
165.01785	1.0
165.05472	6.9
169.06499	0.8
177.05539	0.6
179.03389	1.5
179.07014	1.0
183.02869	2.5
185.05986	1.7
187.03937	0.6
189.05463	2.2
191.03384	69.0
192.03770	0.6
195.02904	0.9
197.05946	1.3
201.05453	0.9
203.03381	4.3
203.07002	0.5
207.06517	2.7
213.05508	1.5
221.04387	1.6
227.06931	0.8
231.06531	1.6
233.04483	1.0
243.06526	9.3
255.06487	4.8
273.07480	0.8
273.92432	0.5
285.07544	20.0
285.10629	1.0
297.07510	4.1
299.05435	1.3
307.05881	0.5
317.06616	4.8
325.07050	4.6
343.08096	18.7
357.15793	0.5
359.09024	3.0
377.10321	2.7
395.11252	4.6
401.09897	1.3
419.11270	3.3
437.12350	7.2
525.81964	0.4
589.32556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.8
57.83620	3.1
62.00903	2.6
67.05516	2.9
69.03426	14.5
70.06585	7.9
71.04989	3.7
71.59436	2.8
72.08147	4.7
72.54856	2.9
73.02911	4.8
73.66243	3.9
75.35000	3.0
75.63176	3.2
79.05495	6.9
81.03407	9.1
85.02897	28.9
86.09701	5.9
87.04427	3.8
91.05492	17.4
93.07045	6.6
95.04961	4.7
97.02879	12.4
103.05462	15.6
105.07016	19.1
106.04192	6.4
107.04940	38.1
109.02885	5.0
115.05478	7.1
119.04932	7.6
121.06514	12.7
123.04433	11.9
127.03931	16.3
129.07051	4.4
131.04942	21.5
131.08556	5.4
132.05655	6.2
133.02821	3.0
133.06490	22.6
135.04430	5.2
135.08060	9.5
136.05237	3.1
137.05969	44.8
139.03859	5.5
145.06476	3.7
146.07225	4.1
147.04396	10.8
148.05150	8.7
149.05974	18.4
151.07510	10.9
153.01820	41.7
153.05493	3.1
157.06418	4.5
159.07913	2.9
161.05972	100.0
161.09563	18.4
163.03900	11.9
163.07524	60.5
165.05450	6.9
165.09126	10.6
167.07037	56.3
171.02888	4.8
173.06093	3.1
174.06767	4.9
175.07559	10.5
177.05446	15.6
177.09160	4.6
179.07050	24.4
180.07784	25.8
181.08585	36.3
189.09096	69.6
191.07010	28.2
192.07776	5.8
193.08618	10.6
197.08066	5.4
207.06572	4.9
207.10152	96.4
209.08113	27.5
221.08162	4.0
223.07469	3.5
225.09229	3.1
229.14212	3.8
245.04512	9.4
257.04492	5.7
273.07507	4.8
285.11115	3.6
291.12485	6.0
298.09280	3.5
315.06839	4.5
315.46545	3.3
341.12387	9.2
343.15204	6.4
361.16464	96.4
373.16373	12.1
405.15891	5.0
432.77487	3.8
589.09351	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	588.9149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70573	0.8
56.96556	7.4
71.58966	1.1
71.95238	1.1
80.87810	1.2
98.97575	62.0
116.98611	55.1
134.98618	2.0
134.99646	30.3
135.00648	1.9
140.00221	3.4
143.87761	0.9
153.00691	3.2
158.01250	2.1
172.94426	1.2
190.95456	4.7
207.63098	1.0
208.96472	2.5
214.95482	1.5
232.96440	6.9
250.97504	5.2
256.96375	15.0
256.98859	1.2
258.99704	1.3
274.97485	100.0
275.97937	2.0
277.00894	2.3
290.94785	1.5
292.98538	78.6
293.98785	1.3
295.66754	0.8
297.99030	9.6
309.48376	0.9
310.99530	1.5
316.00250	6.6
414.95337	31.2
415.95462	1.0
432.96378	59.0
433.96857	1.3
450.97421	15.0
455.97940	8.0
473.99133	2.0
504.89395	1.5
604.65057	1.2
617.93439	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	5.8
69.03426	8.8
71.05000	9.5
71.59401	7.1
71.59779	7.2
71.60135	7.2
79.05483	11.0
81.03400	10.5
85.02895	20.1
91.05487	14.5
93.07075	7.4
95.04953	6.4
103.05467	10.3
105.07020	10.1
107.04945	65.5
119.04949	12.2
121.06477	11.9
123.04417	12.4
131.04909	10.7
133.02835	8.0
133.06502	13.6
135.08047	22.4
137.05978	24.0
147.04401	23.0
149.05952	17.5
151.07547	19.1
153.01807	8.7
161.05994	23.3
163.07538	100.0
167.07051	97.5
175.07469	7.1
177.05571	7.9
179.07002	25.4
181.08597	44.1
182.17563	5.9
193.08563	32.2
195.10196	81.4
205.08743	8.5
207.10136	14.4
211.09644	43.7
213.11263	43.1
237.11275	9.2
253.10622	9.8
303.12167	8.3
368.09799	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	588.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
52.16195	0.5
53.03950	0.6
55.01854	0.8
59.95590	0.6
69.03382	0.7
70.08731	2.1
72.08137	0.5
79.05466	3.8
81.03395	1.0
81.07034	0.6
85.02903	2.0
91.05466	5.7
93.28387	0.5
95.04964	1.3
97.02879	0.9
97.06496	0.7
98.20778	0.7
103.05461	4.0
103.53174	0.5
105.03392	0.6
105.07025	17.2
106.34001	0.6
107.04919	2.6
107.08503	0.6
108.05695	1.1
109.02888	0.9
109.06530	1.1
115.05406	1.1
118.04161	5.0
119.04930	5.1
120.05730	0.7
121.06484	1.9
122.07271	0.9
123.04392	1.5
123.08070	1.6
124.05190	1.8
125.05887	0.6
127.03909	0.6
131.04926	7.9
132.05592	0.6
133.02837	4.7
133.06477	15.7
134.07246	0.9
135.04413	1.1
135.08049	2.7
137.00835	0.5
137.05949	9.0
146.03632	0.5
147.04387	4.4
148.05147	0.8
149.05916	3.0
150.06752	10.1
151.07535	4.1
152.08321	0.7
153.01828	2.3
161.05997	2.9
163.07532	10.5
165.05444	1.7
165.09094	12.4
167.07022	9.4
168.73335	0.5
175.07539	0.7
176.91899	0.5
177.05469	0.6
178.06247	1.4
179.07030	5.2
179.10521	0.6
181.08617	1.0
193.08588	55.0
194.09021	0.8
195.10150	1.2
197.11784	0.8
207.36539	0.6
211.09634	100.0
212.09975	1.2
213.11197	1.1
229.11717	0.6
341.13815	1.8
351.85483	0.6
361.16422	2.4
373.16479	0.6
409.70386	0.6
507.79840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.8
57.83620	3.1
62.00903	2.6
67.05516	2.9
69.03426	14.5
70.06585	7.9
71.04989	3.7
71.59436	2.8
72.08147	4.7
72.54856	2.9
73.02911	4.8
73.66243	3.9
75.35000	3.0
75.63176	3.2
79.05495	6.9
81.03407	9.1
85.02897	28.9
86.09701	5.9
87.04427	3.8
91.05492	17.4
93.07045	6.6
95.04961	4.7
97.02879	12.4
103.05462	15.6
105.07016	19.1
106.04192	6.4
107.04940	38.1
109.02885	5.0
115.05478	7.1
119.04932	7.6
121.06514	12.7
123.04433	11.9
127.03931	16.3
129.07051	4.4
131.04942	21.5
131.08556	5.4
132.05655	6.2
133.02821	3.0
133.06490	22.6
135.04430	5.2
135.08060	9.5
136.05237	3.1
137.05969	44.8
139.03859	5.5
145.06476	3.7
146.07225	4.1
147.04396	10.8
148.05150	8.7
149.05974	18.4
151.07510	10.9
153.01820	41.7
153.05493	3.1
157.06418	4.5
159.07913	2.9
161.05972	100.0
161.09563	18.4
163.03900	11.9
163.07524	60.5
165.05450	6.9
165.09126	10.6
167.07037	56.3
171.02888	4.8
173.06093	3.1
174.06767	4.9
175.07559	10.5
177.05446	15.6
177.09160	4.6
179.07050	24.4
180.07784	25.8
181.08585	36.3
189.09096	69.6
191.07010	28.2
192.07776	5.8
193.08618	10.6
197.08066	5.4
207.06572	4.9
207.10152	96.4
209.08113	27.5
221.08162	4.0
223.07469	3.5
225.09229	3.1
229.14212	3.8
245.04512	9.4
257.04492	5.7
273.07507	4.8
285.11115	3.6
291.12485	6.0
298.09280	3.5
315.06839	4.5
315.46545	3.3
341.12387	9.2
343.15204	6.4
361.16464	96.4
373.16373	12.1
405.15891	5.0
432.77487	3.8
589.09351	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	588.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.6
55.01864	1.1
55.48978	0.6
56.96539	0.9
57.03421	0.6
64.83833	0.6
66.79974	0.6
69.03408	1.1
69.27084	6.6
69.27492	1.5
70.06571	0.7
71.04984	1.0
72.08103	0.8
79.05467	2.1
81.03419	0.8
85.02898	2.4
86.09708	1.1
91.05470	3.9
95.04950	0.9
103.05454	4.4
105.07023	14.5
107.04985	3.7
107.39423	0.6
109.06532	1.5
114.05522	1.3
115.05457	0.6
118.04187	3.3
119.04935	4.6
121.06499	1.5
122.07246	1.2
123.04359	0.9
123.08067	1.7
124.05216	1.3
124.80795	0.6
131.04926	7.0
133.02835	4.9
133.06491	15.7
135.04404	1.2
135.08104	3.6
137.05962	7.1
147.04414	2.6
149.05942	2.4
150.06758	7.6
151.07518	4.8
153.01851	3.5
153.05470	0.9
161.05989	3.2
163.07520	10.2
164.04448	0.6
165.05522	1.5
165.09097	10.0
167.07050	8.7
177.05423	0.9
178.06221	1.4
179.07034	5.3
179.10629	0.7
181.08621	1.6
191.07040	1.1
193.08601	50.6
194.09058	0.8
195.10170	2.8
197.11736	0.8
211.09647	100.0
212.09900	1.1
213.11197	1.7
320.05731	0.7
341.06613	1.1
341.13831	1.4
355.89462	0.7
361.16501	2.4
373.15912	0.8
415.88101	0.6
559.28143	0.8
589.05237	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	587.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.2
53.82205	2.7
55.01865	10.1
55.05513	29.3
57.03440	15.9
57.07060	3.6
59.63898	2.8
63.63155	3.2
65.03927	6.7
67.05505	89.5
69.03420	6.4
69.07064	20.5
71.01342	7.0
71.05001	4.9
71.60143	6.0
77.78788	3.4
79.05495	64.1
80.41469	2.8
81.03416	32.1
81.07058	74.7
83.04984	7.2
83.08623	12.9
85.03399	3.5
91.05480	41.5
93.07047	59.4
95.04966	71.9
95.08602	45.9
97.06530	4.9
97.10160	11.8
105.03408	3.3
105.07016	28.3
107.04946	16.0
107.08605	39.3
109.02870	10.3
109.06541	12.8
109.10158	23.7
111.08023	3.4
115.05437	3.4
117.07006	20.9
119.04919	3.5
119.08563	23.2
121.06489	10.1
121.10128	20.3
123.04423	64.0
123.08067	3.6
123.11639	4.7
125.09634	7.2
128.06203	4.2
129.07010	9.7
131.08575	16.6
133.06531	4.0
133.10124	10.5
135.08023	7.0
135.11670	19.8
137.05960	4.7
143.08607	9.1
145.10130	23.7
147.08028	7.3
147.11690	9.7
149.06000	6.0
149.09636	4.3
149.13274	4.1
152.07607	3.1
153.09108	5.5
155.08482	4.7
157.10086	5.3
159.11659	6.8
163.11201	19.2
166.15849	3.0
171.11699	10.5
173.09608	9.6
173.13145	3.6
185.13252	3.4
187.14862	5.4
189.11313	4.0
189.12776	13.5
191.10657	5.9
199.14807	3.6
207.11887	4.1
207.13829	11.0
217.12260	14.2
235.13295	85.7
261.22067	6.2
309.16946	55.3
335.25812	100.0
335.29849	5.4
369.24457	3.6
495.34787	4.2
551.36713	4.0
569.30219	3.9
569.38409	45.2
587.35529	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	587.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39709	2.5
53.03939	9.8
55.01854	7.9
55.05513	28.5
57.03431	13.2
63.86044	2.6
64.54184	2.8
65.03935	7.1
67.05502	99.7
69.03442	2.6
69.07063	15.3
71.01358	6.1
71.04975	4.3
77.03916	4.0
79.05489	68.1
81.03412	37.1
81.07053	69.1
83.04982	8.4
83.08633	9.5
85.06544	3.2
91.05480	49.5
93.07040	63.4
95.04960	70.1
95.08036	5.5
95.08600	51.1
95.09159	4.4
97.02878	3.9
97.06530	6.6
97.10152	10.5
103.05453	4.0
105.07016	30.2
107.04926	15.9
107.08589	38.2
109.02885	19.1
109.06510	15.1
109.10153	23.3
111.08069	5.7
117.07007	19.3
117.40582	2.8
119.08582	27.7
121.06487	10.6
121.10136	26.7
123.04419	73.4
123.08016	5.0
123.11648	4.6
125.09602	6.9
129.06996	13.9
131.04932	5.2
131.08559	24.9
133.10123	10.2
135.08072	7.8
135.11665	21.1
137.06000	4.7
143.08582	8.7
145.06461	8.0
145.10095	22.0
147.08055	8.3
147.11716	9.3
149.09543	3.8
149.13332	4.8
153.07123	2.7
153.09082	6.9
155.08617	3.7
157.10184	7.2
159.11685	5.2
161.13239	7.6
163.11209	25.0
169.10135	5.4
171.08244	4.3
171.11720	9.4
173.09656	11.8
173.13235	7.1
175.14838	5.1
189.11278	3.4
189.12697	15.4
191.10696	7.0
199.11223	4.1
207.13733	16.7
217.12267	10.1
235.13274	100.0
235.15569	6.3
243.21205	3.4
261.22147	10.1
291.15842	3.8
309.16989	56.6
325.25195	3.3
335.25784	98.2
406.90924	3.1
477.33600	6.9
495.34680	5.1
551.37469	4.7
569.38464	61.5
587.39813	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	587.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.0
53.03946	11.8
53.62939	1.4
55.01870	17.7
55.05258	2.1
55.05508	28.2
57.03428	12.6
58.75405	1.1
65.03934	8.0
67.05502	88.4
69.03424	5.2
69.07067	20.1
71.01331	3.8
71.04979	4.0
72.08151	8.5
73.06548	1.8
76.51717	1.2
77.03948	2.2
79.05490	100.0
80.06266	2.8
81.03416	21.1
81.07053	73.6
82.04160	2.4
83.01344	2.1
83.04977	27.8
83.08614	10.2
85.02888	2.4
85.06528	5.3
87.88902	1.4
91.05477	97.9
93.07040	78.1
94.04159	1.8
94.07791	1.8
95.01348	1.5
95.04965	58.3
95.08605	42.5
96.05743	2.0
97.02879	5.5
97.06530	11.3
97.10165	4.5
98.07323	1.4
103.05466	4.2
105.04511	2.7
105.07024	67.4
107.04948	63.8
107.08591	29.5
108.05727	3.5
109.02853	2.4
109.06509	22.8
109.10161	12.4
110.07304	1.6
111.04443	8.8
111.08073	4.9
112.05204	2.5
113.05979	3.6
113.48629	1.1
115.05451	6.4
117.07008	25.2
118.07692	1.4
119.04972	6.2
119.08568	40.3
120.05778	1.9
121.06503	16.8
121.10149	12.0
121.64816	1.3
122.07281	12.1
123.04418	8.4
123.08092	9.6
123.11692	2.6
125.06004	3.7
127.07584	2.3
128.06203	6.4
129.05464	2.2
129.06992	26.8
129.07904	2.5
130.07823	1.7
131.04947	3.2
131.08569	23.1
132.05692	1.6
133.06477	21.0
133.10123	21.2
135.04338	2.0
135.08072	11.0
135.11710	11.8
137.05986	1.9
137.09605	3.6
139.07527	1.8
141.06972	5.4
142.07751	1.7
143.08549	15.8
143.55267	1.4
145.06485	17.4
145.10123	18.9
147.08052	21.9
147.10641	2.0
147.11694	24.0
149.05989	1.7
149.09589	2.7
149.13219	2.4
151.07544	2.5
151.11136	1.8
155.08597	6.2
156.09340	2.1
157.10121	4.8
159.08029	6.4
159.11716	8.3
161.09619	14.6
161.13251	9.7
162.10429	3.6
163.07573	3.2
163.11124	7.8
165.09073	3.6
167.08606	1.6
169.10095	5.8
171.08002	2.0
171.11690	21.8
173.05992	2.1
173.09621	2.5
173.13258	3.3
175.11266	6.0
177.09128	3.0
177.12772	3.9
179.08537	1.4
179.14270	2.7
183.11670	2.6
185.13223	4.1
187.11140	7.0
187.14809	4.0
189.12772	8.8
195.11620	1.5
197.13268	3.0
199.11127	1.8
199.14752	1.7
203.14336	3.0
205.12221	2.9
205.15981	2.9
207.13737	12.4
215.14336	3.8
217.15834	2.8
223.13261	1.4
225.12733	1.6
225.14777	3.0
231.13734	2.1
233.15355	15.5
235.13327	2.2
243.13760	1.6
243.17586	2.1
249.14871	2.1
251.16418	2.3
255.48756	1.3
261.14880	4.6
261.18390	3.8
267.15948	1.7
271.16882	4.8
273.18500	8.2
279.15897	5.5
281.17480	7.1
289.17908	15.5
290.18604	8.2
291.19531	4.0
301.14444	2.3
307.19165	3.3
325.20169	1.9
335.18591	2.8
347.22079	1.6
363.21655	4.2
381.22687	1.7
459.30710	2.1
513.32172	10.3
529.31598	4.5
541.31409	28.9
553.35437	2.9
569.34253	7.2
570.35089	2.0
587.35791	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81561	1.3
70.06572	1.5
71.04990	4.3
71.60099	1.6
81.07032	2.3
83.58402	1.2
85.02914	4.5
86.09731	1.7
90.13783	1.3
91.05490	2.9
91.75887	1.4
94.09875	1.4
119.04960	8.2
131.32753	1.5
147.04401	41.1
147.05495	2.9
149.74156	1.4
153.01837	8.5
169.04720	12.3
200.92050	1.4
218.04974	1.7
218.08070	1.4
273.04211	1.4
295.11139	4.2
308.02988	1.8
345.04523	2.1
441.07919	100.0
455.09320	1.9
457.16510	3.1
459.08719	1.6
482.10773	3.4
525.38708	1.6
587.13745	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1392
Annotation	Prunin 6''-O-gallate
Peak:m/z	Relative Intensity
53.03938	0.6
53.15290	0.4
57.03420	0.8
59.76326	0.4
67.01857	2.1
67.67669	0.4
68.99790	1.3
69.03421	2.6
70.76466	1.3
71.04991	0.7
79.01859	3.7
81.03422	6.9
85.02902	3.8
85.25360	0.5
91.05482	0.7
97.02898	4.9
99.04430	0.9
107.01289	1.5
107.04944	1.0
109.02887	4.3
119.04932	1.5
120.48853	0.4
121.02901	0.7
121.06491	0.8
122.89962	0.4
123.04423	1.5
125.02353	4.7
127.03913	5.3
143.03395	5.9
145.04962	1.1
147.04402	5.5
151.03934	0.6
153.01822	100.0
165.01735	0.8
167.06970	0.7
171.02882	24.3
177.01807	0.9
179.03398	0.6
183.02931	1.2
191.03453	0.9
195.02861	9.7
219.02888	1.0
237.03773	0.7
243.02959	1.0
261.03912	3.4
273.07541	22.3
279.05017	0.7
287.05402	0.6
297.05939	7.8
303.04996	1.3
315.08179	2.4
339.08569	1.9
363.08597	1.3
381.09680	1.9
390.01309	0.5
586.39667	0.7
587.28680	0.6
587.39124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
54.44667	0.6
55.01864	1.6
65.03928	2.3
66.12355	0.6
67.05475	0.6
69.03420	1.8
71.59758	1.1
73.02902	1.3
75.04489	4.0
77.03909	0.8
78.04695	2.5
79.05486	2.6
81.03403	1.4
85.02902	5.8
86.09742	0.8
89.06036	1.5
91.04962	0.6
91.05470	13.4
93.03407	12.0
93.07041	6.6
95.04971	5.7
97.06537	2.4
100.98306	0.7
103.05477	6.9
105.07022	6.4
106.04173	30.5
107.04938	2.4
109.02876	0.8
109.06509	1.5
111.04414	1.3
115.05451	1.2
118.04139	1.5
118.13923	0.6
119.04959	3.2
121.06502	31.1
123.04417	1.6
123.08026	0.8
124.05204	1.4
125.05995	8.2
127.03918	0.9
131.04897	2.9
133.02849	4.8
133.06505	5.3
134.03633	4.4
135.04393	1.0
135.08064	0.7
137.05943	7.0
138.06761	1.4
139.07512	3.0
145.02808	1.2
145.04932	1.2
147.04384	2.0
148.05159	3.4
149.05978	50.0
151.07556	3.3
153.01830	4.3
153.05437	1.2
153.09091	13.5
159.37344	0.6
161.05995	8.7
163.07539	2.5
165.05450	1.7
166.06218	1.7
167.07024	0.6
177.05469	24.4
179.07024	2.2
181.08592	23.2
181.10204	1.2
191.07018	14.4
193.08629	7.3
209.08086	100.0
210.08408	0.7
269.65973	0.7
341.13977	1.1
586.19580	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2328
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
53.03928	0.9
55.01861	1.3
57.03432	0.8
65.03932	7.2
67.05507	2.4
70.48502	1.1
70.48883	1.3
71.01360	1.0
71.04978	1.0
79.05493	2.7
81.03412	1.7
81.07048	2.2
82.04180	1.0
83.05001	0.9
84.08107	0.7
85.02900	2.4
87.74730	0.8
87.87123	0.8
91.05488	2.1
93.03419	1.2
93.07033	1.5
95.04968	2.9
97.02853	1.0
103.05422	0.8
105.07027	1.2
107.04957	2.3
108.02131	1.0
109.02866	1.3
110.03663	7.0
111.04440	11.8
112.48169	0.8
115.34664	0.7
117.06975	0.9
121.02876	5.8
121.06529	1.6
123.04429	1.1
125.05987	8.6
129.06978	1.3
131.04910	1.7
131.08522	1.1
133.02856	1.3
133.10107	1.2
135.04430	1.3
137.05972	1.5
145.06505	1.4
147.04398	1.9
147.08028	1.0
149.02348	3.1
149.05968	1.0
151.03894	23.6
151.05095	1.7
151.07544	1.7
153.01816	1.5
153.05452	18.7
159.08113	1.4
159.43204	0.7
161.05960	3.2
161.09605	1.3
163.03969	1.1
165.05623	1.1
165.06984	1.8
167.07024	2.5
167.08421	1.1
169.06537	0.8
171.37132	0.9
175.07527	1.9
177.05574	0.8
177.07036	0.9
178.06281	1.0
182.07338	1.0
183.08208	1.0
187.07597	1.0
189.09076	1.4
195.08037	2.4
197.06047	1.2
197.09607	1.8
209.09731	1.4
210.06763	2.5
211.07617	2.4
212.08359	1.5
219.10220	1.3
221.05971	1.1
221.09578	2.4
222.06770	1.0
222.10524	0.8
223.07521	2.6
224.08258	1.6
225.09064	2.4
227.06955	1.9
234.06816	0.9
235.07474	1.1
236.08156	0.9
237.09113	1.9
238.06229	2.8
238.09901	3.2
239.07043	2.5
239.10620	1.1
240.07780	5.8
241.08626	2.2
249.09074	1.8
249.11336	1.1
251.07069	2.2
252.07857	1.7
253.08580	14.4
253.12212	5.5
254.09300	2.4
255.06641	1.8
255.10202	3.5
257.08035	2.0
263.07700	0.8
265.08582	1.7
266.06033	1.0
266.09412	3.2
267.06412	1.6
267.10135	1.6
268.07321	2.2
269.08154	2.1
270.08783	2.4
270.12457	0.9
271.13235	1.1
277.08755	1.0
279.10150	0.9
280.07425	1.1
281.08630	4.1
281.11255	4.2
282.08813	1.5
283.09720	6.5
283.12885	1.2
284.10437	2.6
285.11133	2.9
285.14490	1.6
294.08685	1.0
295.09653	2.7
296.10458	1.1
297.11270	1.7
298.08252	1.0
298.11893	1.5
299.09439	1.5
299.12787	5.6
301.14395	1.4
309.11191	5.9
310.12042	1.4
313.10675	8.6
313.14328	3.8
316.13403	1.2
326.11343	1.6
327.12250	24.8
328.13000	1.4
329.13837	1.0
331.15298	2.6
341.13858	4.0
357.13297	1.0
357.17526	0.9
359.14868	100.0
360.15338	2.2
371.14987	5.0
416.78366	0.9
528.52020	1.1
567.28967	1.2
585.28888	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1234
Annotation	2''-O-Galloylisovitexin
Peak:m/z	Relative Intensity
57.03437	4.6
67.05506	2.6
69.03416	4.2
71.59931	2.2
71.60309	4.2
79.01859	5.0
81.03429	2.7
81.07034	6.0
83.04941	2.3
93.07010	3.5
95.04987	3.0
103.05464	3.0
105.06999	5.4
107.04913	2.8
111.04438	2.3
116.01686	5.4
121.02867	9.9
125.02345	2.7
131.08524	2.1
137.02357	16.1
137.05998	4.8
143.03410	8.3
144.01057	2.7
147.04424	2.9
151.03873	2.5
153.01825	100.0
153.02762	4.0
161.05994	3.6
162.02173	4.5
167.07161	3.8
181.04988	3.7
225.07610	2.8
281.06461	3.4
283.06039	7.8
287.05328	3.1
299.05231	13.9
300.06339	3.0
311.05502	27.0
325.07013	3.6
329.06458	27.7
345.05933	4.8
353.06390	7.4
374.99902	3.1
379.08228	3.8
388.97992	4.4
397.09247	11.2
405.15497	3.0
411.14343	2.9
415.10309	10.6
433.11194	3.2
481.07693	3.7
540.27118	4.0
584.30627	2.9
585.12372	13.2
585.29016	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
55.39856	0.7
57.03430	1.1
66.27985	0.6
69.52770	6.1
71.04994	9.1
73.02914	0.8
83.04942	0.8
85.02907	10.6
91.05484	1.4
105.07092	0.7
107.04992	1.0
115.05477	1.3
116.01700	0.9
117.07026	0.7
121.06519	0.6
128.06216	1.8
129.05470	2.6
129.07024	3.9
131.08589	5.4
132.99606	0.7
133.06503	0.9
137.06000	0.9
141.06989	1.8
142.07787	0.8
143.08537	1.7
144.05701	2.9
145.06506	2.7
146.07304	0.8
156.05614	0.7
157.06493	2.4
159.08047	9.3
161.09651	1.8
162.02225	0.9
162.92638	0.7
163.06056	1.0
167.07037	2.0
169.06461	0.9
170.07297	1.3
171.08047	2.0
172.05205	1.4
173.05959	1.9
175.07469	0.8
187.07561	7.6
189.05544	1.2
189.09154	3.8
199.07558	1.8
201.09082	1.9
203.07094	1.3
204.07768	4.4
205.08595	1.3
206.09402	0.9
215.13342	0.7
216.07777	1.6
219.10197	2.9
221.11819	1.1
231.10185	2.2
233.11737	8.1
237.11142	0.7
242.56630	0.7
245.43605	0.8
249.11223	100.0
251.12769	4.9
267.12256	2.4
341.02097	0.8
342.53577	0.7
350.05701	0.7
351.88416	0.7
359.86139	0.7
377.53751	0.7
390.48691	0.9
540.27332	1.0
569.04144	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.6
53.03938	4.5
55.05514	13.9
57.03442	1.7
57.07080	10.1
59.04982	4.1
65.03933	4.1
67.05502	22.9
69.03414	7.6
69.07066	20.5
69.27708	1.2
69.37057	11.7
69.37494	2.4
70.25396	1.3
71.04967	1.7
77.03911	1.5
79.05486	24.0
81.07056	28.9
83.04979	5.8
83.08627	7.7
85.06543	5.8
91.04900	1.4
91.05478	43.8
93.07042	52.9
95.04975	13.6
95.08602	38.0
95.40521	1.6
97.06538	5.4
97.10181	2.0
103.05467	2.6
105.04543	1.7
105.07031	70.2
107.08594	47.1
109.03751	1.4
109.06532	12.1
109.10152	24.2
111.08049	2.5
115.05450	4.3
116.06244	1.6
117.07019	15.3
118.46848	1.3
119.04929	1.3
119.08580	79.6
121.06506	4.8
121.10146	46.9
121.11027	2.4
123.08068	20.3
123.11703	7.9
125.05981	4.5
125.09596	2.2
128.06238	10.2
129.07002	13.4
130.07765	6.8
130.12849	1.3
130.68265	1.2
131.08562	33.9
131.09505	2.3
133.06493	4.0
133.07645	1.2
133.10121	41.2
135.08054	12.2
135.11700	12.5
137.09630	12.8
137.13179	1.4
139.11134	1.2
141.06984	8.3
142.07771	23.2
143.08557	42.6
144.09349	7.7
145.06448	1.8
145.10115	51.3
147.08058	19.0
147.11696	16.5
149.09612	6.4
149.13274	2.4
151.07562	16.2
151.11226	2.0
153.07016	3.9
153.09070	1.7
154.07793	4.2
155.08554	18.7
156.09344	20.0
157.10121	53.1
158.10876	7.7
159.08066	5.4
159.11699	26.0
161.09639	5.2
161.13261	7.8
163.11237	6.7
165.07037	7.1
165.09106	32.6
166.07808	2.8
167.08620	9.7
167.10696	10.8
168.09377	6.1
169.10129	27.8
170.10913	8.6
171.11678	31.2
172.12486	2.6
173.09592	4.5
173.13235	23.0
175.11214	4.6
175.14804	10.5
177.09230	1.5
177.12805	2.9
178.07806	2.1
179.08540	14.9
180.09308	8.2
181.10129	15.1
181.12048	7.1
182.10869	9.9
183.11707	27.9
184.12486	5.1
185.09633	2.0
185.13240	20.0
185.14615	1.8
187.11266	3.3
187.14809	8.3
189.12715	7.1
191.08569	2.0
191.14314	8.4
192.09334	7.3
193.10106	15.6
193.11923	1.9
194.10922	15.0
195.11691	25.7
195.13417	2.3
196.12392	8.2
197.13243	21.9
198.13974	2.8
199.11215	4.3
199.14801	18.4
201.12820	2.5
201.16336	2.4
203.08588	1.9
203.14348	15.9
204.09456	1.9
205.10185	5.4
205.15971	2.4
206.09319	1.4
206.10818	6.4
207.11731	19.5
207.13820	8.0
208.12517	8.6
209.13263	26.5
209.15152	1.2
210.14038	4.6
211.14809	13.4
213.12762	4.4
213.16367	3.0
215.14465	2.1
216.09409	1.7
217.10164	4.8
217.15855	10.2
218.10977	4.1
219.11604	9.2
220.12428	7.3
221.13272	15.3
221.15311	70.1
222.13992	4.6
223.14792	16.9
224.15747	1.6
225.12804	2.3
225.16371	6.6
227.14391	2.4
227.18163	1.7
229.15955	2.3
231.11719	5.1
231.13823	1.7
231.17458	3.8
232.12454	3.7
233.13278	10.4
233.15437	6.1
234.14049	6.0
235.14793	12.7
236.15573	2.3
237.16502	5.2
239.14156	2.1
239.18021	6.3
241.15811	2.0
243.11667	1.9
244.12572	4.1
245.13312	9.0
246.14015	6.4
247.14746	11.9
247.16753	1.3
248.15585	3.1
249.16374	11.1
250.17197	3.8
251.17938	5.4
253.15907	2.3
255.17484	1.9
257.13284	3.1
257.19003	6.9
258.13974	1.9
259.14795	6.5
260.15546	4.3
261.16412	9.5
262.17178	2.6
263.17874	7.1
265.19485	6.6
267.17267	1.7
269.19092	4.3
270.14084	2.2
271.14798	2.9
271.17603	1.5
271.20728	3.6
273.16412	6.2
274.17245	2.1
275.17889	9.1
277.16379	1.7
277.19550	5.3
279.17868	1.4
279.21021	3.5
281.19064	3.9
283.20627	12.2
285.16190	2.5
285.22214	1.6
286.16916	1.6
287.20212	4.0
289.19455	4.0
291.21136	3.4
293.18851	1.8
294.03995	1.5
295.20599	3.2
297.16711	1.7
297.22198	5.9
301.19427	3.4
303.21063	2.4
307.20737	3.0
309.22101	2.5
321.21976	1.8
329.22800	2.4
331.24277	6.2
333.22159	2.1
347.23596	3.4
349.25409	7.1
357.25885	2.8
361.25153	2.4
365.24741	4.3
371.23578	1.8
375.26666	8.4
385.29013	2.2
397.25327	1.4
403.30072	7.9
453.31644	1.7
471.32489	1.6
473.33469	1.7
475.99585	1.5
491.35742	6.9
503.35052	5.1
509.34491	2.2
547.39185	4.5
565.40448	29.6
583.41504	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.05505	13.1
57.07073	7.4
59.04986	3.0
61.52984	1.1
65.03933	3.3
67.05499	21.9
69.03421	6.9
69.07064	15.5
69.32966	8.9
69.33379	2.9
79.05482	21.0
80.55737	1.3
81.07047	24.9
83.04968	7.8
83.08612	8.8
83.68262	1.1
85.06525	5.5
91.05466	37.8
91.06004	2.5
93.07035	50.1
95.04953	13.3
95.08602	31.7
97.06529	6.5
97.10183	1.5
98.21455	2.2
103.05471	4.1
105.07021	61.3
107.08585	42.4
107.09290	2.5
109.06509	8.4
109.10154	19.1
111.08065	4.9
115.05458	5.7
117.07014	11.4
119.08572	69.5
121.06499	4.1
121.10132	47.4
123.08056	18.1
123.11703	5.5
125.05999	1.9
125.09664	3.3
128.06213	11.0
129.06998	15.2
130.07767	5.8
131.08556	30.8
133.10121	34.5
133.11064	2.1
135.08029	8.6
135.11681	12.0
137.09579	7.9
139.11186	2.5
141.06996	5.8
142.07767	18.8
143.08542	34.3
144.09338	7.3
145.06505	2.3
145.10114	47.2
146.10870	1.6
147.08035	10.5
147.11656	14.0
149.09573	10.6
149.13191	2.9
151.07544	11.5
151.11186	1.5
153.07025	3.4
153.09116	1.8
154.07761	2.5
155.08530	10.5
155.10635	2.6
156.09343	17.9
157.10114	45.6
158.10887	8.1
159.08008	6.9
159.11682	23.0
161.09612	4.6
161.13202	6.2
163.11140	6.8
165.06999	5.4
165.09085	14.3
166.07765	3.1
167.08559	8.3
167.10660	28.7
168.09361	5.4
169.10109	21.0
170.10913	7.5
171.11681	28.2
172.12454	1.4
173.09659	3.2
173.13260	22.2
175.11205	3.6
175.14787	8.7
177.12711	2.4
178.07755	1.6
179.08546	10.7
179.10036	1.5
179.10612	1.3
180.09341	4.9
181.10149	12.6
181.12215	6.2
182.10941	6.8
183.11681	25.0
184.12457	4.4
185.09634	3.1
185.13235	15.1
187.11166	2.3
187.14827	7.5
189.12723	6.7
191.08502	2.2
191.14250	6.3
192.09352	4.0
193.10133	13.0
194.10934	9.9
195.11691	17.3
195.13466	2.1
196.12489	5.5
197.09604	2.3
197.13255	18.4
199.11171	2.3
199.14809	12.0
201.12685	1.8
201.16376	3.4
203.08601	2.2
203.14307	8.5
204.09299	2.0
204.18214	1.2
205.10161	2.8
206.10817	7.2
207.11723	18.7
207.13837	7.2
208.12404	7.1
209.09560	1.5
209.13274	24.2
209.15312	2.4
210.13982	2.7
211.11147	1.7
211.14751	11.3
213.12698	2.9
213.16386	5.2
215.14445	3.3
217.10194	3.3
217.12213	1.3
217.15852	8.5
218.10939	2.5
219.11650	7.3
219.17448	1.9
220.12524	4.7
221.13257	14.5
221.15401	27.8
222.14050	3.2
223.14743	13.8
224.15616	2.5
225.12776	1.8
225.16399	5.5
227.14307	1.6
229.10312	1.3
229.15913	2.3
230.10925	2.3
231.11746	6.2
231.17519	2.1
232.12395	3.4
233.13226	8.5
233.15405	10.1
234.14116	3.6
235.14781	10.9
236.15518	2.2
237.12700	1.9
237.16365	8.3
239.14403	2.5
239.18030	3.6
241.15991	2.1
243.11560	1.8
243.17343	1.7
244.12436	2.6
245.13361	6.7
246.14098	5.0
247.14818	10.6
247.17021	2.7
248.15607	2.6
249.16382	9.8
251.17902	6.7
253.15886	2.0
253.19493	2.3
255.17384	2.5
257.13104	2.9
257.19043	5.6
258.14212	2.7
259.14822	5.6
260.15646	4.3
261.16327	7.1
262.17160	1.7
263.17981	5.4
265.16174	1.7
265.19550	7.3
267.17471	2.2
269.19037	5.7
271.14798	2.9
271.20551	1.9
273.16275	4.2
275.17917	10.0
277.15997	1.3
277.19479	4.1
279.20920	1.9
281.19043	3.0
283.20596	10.4
285.16241	2.6
287.17654	1.6
287.20383	2.0
289.16278	1.9
289.19659	4.0
291.21106	2.3
293.19022	3.9
295.15222	1.5
295.20630	3.5
297.16428	2.0
299.20282	3.1
301.19357	1.8
303.21240	2.4
307.20737	1.9
309.22195	1.8
313.19409	2.4
327.21063	1.4
329.22623	1.6
331.24344	3.8
335.23737	2.8
345.21957	1.3
347.23672	2.9
349.25262	5.5
357.26025	2.5
359.23889	1.7
361.25433	2.7
365.24591	2.2
375.26901	3.4
385.28970	2.1
403.30048	6.8
443.29041	1.5
491.35101	3.3
503.35742	2.4
509.34543	3.2
547.39301	5.8
565.40326	25.6
583.41431	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62210	1.9
53.03945	2.7
55.05508	9.0
57.07074	7.2
58.95097	2.1
67.05501	15.2
69.03423	5.1
69.07071	8.5
70.26266	8.6
77.77454	2.0
79.05483	10.8
81.07050	17.3
83.08637	3.0
85.06592	2.3
91.05473	19.8
93.07043	30.1
95.04967	4.7
95.08601	22.3
97.06544	2.2
102.39616	2.1
105.07021	34.8
107.04980	2.1
107.08602	16.8
109.06493	3.7
109.10178	7.9
111.76397	2.0
117.07063	7.5
119.08569	33.7
119.09339	2.5
121.06535	3.1
121.10152	19.1
123.08072	15.5
123.11656	2.5
125.50892	1.9
128.06271	4.3
129.07027	6.6
131.08530	10.1
133.06552	2.4
133.10123	16.8
135.08076	5.6
135.11725	4.6
137.09641	8.7
141.07014	3.7
142.07799	8.5
143.08557	13.4
144.09366	3.3
145.10107	20.7
147.07999	14.9
147.11739	5.9
149.09653	4.4
151.07532	17.9
151.08516	1.9
153.07042	2.9
155.08586	5.9
156.09375	6.1
157.10123	29.0
159.11688	10.5
161.09674	4.5
161.13306	4.8
163.11168	2.8
165.09117	40.0
166.07828	2.5
167.08572	4.7
168.09492	4.2
169.10143	10.5
170.10922	5.1
171.11694	18.3
173.13271	8.0
175.14857	3.3
177.09100	2.1
179.08630	5.3
179.44293	2.0
180.09425	3.1
181.10156	7.8
182.10933	3.9
183.11781	7.8
185.13306	9.6
187.14861	3.1
189.12819	5.8
193.10164	6.1
194.11015	3.5
195.11769	8.7
196.12512	2.9
197.13220	12.9
203.14343	12.8
206.10953	4.3
207.11754	8.3
207.13821	7.4
208.12598	2.9
209.13196	12.4
211.14882	4.8
219.11800	5.0
221.13242	8.0
221.15315	65.5
222.14307	2.5
223.14941	6.8
231.17506	2.8
233.13283	4.6
235.14764	6.3
237.16423	3.3
239.18002	2.4
245.13307	3.3
247.14687	2.9
249.16478	3.1
251.18004	2.5
253.19690	3.2
259.14862	4.0
261.16388	3.8
263.18048	3.3
265.19574	4.0
277.19513	4.0
279.21173	2.9
283.20676	3.8
287.20129	2.9
289.19818	2.7
295.20526	3.8
297.22153	5.0
357.26102	2.4
365.24704	2.3
375.26862	6.3
403.29996	11.1
503.35211	6.1
509.34814	3.1
547.39264	4.2
565.40417	31.3
565.48846	2.9
583.41595	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.4
53.03942	5.5
55.01864	2.7
55.05508	18.0
57.03418	2.0
57.07072	11.5
58.68583	2.3
59.05001	4.6
65.03942	2.9
66.06767	2.0
67.05502	29.2
68.83898	2.5
69.03426	9.8
69.07067	23.4
77.03935	3.0
79.05487	34.2
81.03432	3.7
81.07053	44.4
83.04983	10.3
83.08627	13.6
85.06543	7.8
91.05478	51.3
93.07038	77.6
95.04967	14.9
95.08603	41.1
97.06516	6.3
97.10153	4.0
103.05486	3.9
105.07023	86.8
107.04948	3.1
107.08589	56.5
109.06525	9.5
109.10150	23.0
111.08119	2.7
115.05458	8.1
115.69374	2.2
116.06277	3.2
117.07004	20.5
119.08572	98.9
121.06478	6.2
121.10146	44.9
123.08069	23.6
123.11697	5.2
125.06010	6.6
125.09641	4.2
128.06207	18.4
128.34586	2.2
129.06989	21.7
130.07820	7.7
131.08571	39.8
131.16492	2.1
133.06505	5.0
133.10118	44.0
135.08049	12.3
135.11700	14.4
137.09581	13.6
139.11171	2.9
141.06998	11.6
142.07788	25.2
143.08546	50.5
144.09364	8.7
145.10123	63.1
147.08028	20.9
147.11693	20.3
149.09653	10.3
149.13242	3.9
151.07492	20.5
151.11188	2.8
153.07027	7.2
154.07761	5.7
155.08551	22.1
156.09320	17.3
157.10126	61.0
158.10945	7.4
159.08093	5.4
159.11723	33.4
161.09677	5.4
161.13226	12.4
163.11192	10.3
165.07011	7.2
165.09117	39.5
167.08647	11.1
167.10670	10.9
168.09415	8.0
169.10115	32.8
170.10896	12.2
171.11673	40.6
173.09653	7.9
173.13258	31.8
175.11180	3.7
175.14861	10.3
178.07782	4.6
179.08528	17.5
180.09340	8.2
181.10176	18.7
181.12225	5.1
182.10896	13.2
183.11697	33.6
184.12527	7.0
185.13237	20.0
187.11246	3.4
187.14876	7.6
189.12779	8.6
191.08565	3.5
191.14359	9.0
192.09409	7.5
193.10060	14.7
194.10872	15.6
195.11664	26.2
196.12520	8.3
197.09769	2.4
197.13248	29.4
198.14066	2.7
199.14799	17.3
201.12885	2.6
201.16422	4.7
203.08679	2.6
203.14342	18.3
205.10167	7.3
206.10927	7.0
207.11772	20.3
207.13747	5.4
208.12549	8.7
209.13249	33.5
210.14029	3.6
211.11328	4.2
211.14812	14.6
213.12770	3.9
213.16464	5.7
217.10229	6.0
217.15929	9.3
218.10989	3.8
219.11681	12.1
220.12587	10.3
221.13289	18.9
221.15428	77.3
222.14073	4.9
223.11348	2.8
223.14842	19.6
224.15591	3.5
225.12874	2.9
225.16420	9.1
227.14362	5.3
229.15958	3.4
231.11725	7.5
233.13293	11.4
233.15263	4.4
234.14117	4.3
235.14766	18.2
237.12993	3.1
237.16397	7.8
239.18030	6.3
243.11732	3.1
243.17537	3.8
244.12543	3.3
245.13306	8.9
246.14125	6.3
247.14868	14.8
247.17050	3.5
248.15669	5.0
249.16515	10.5
251.17981	8.7
257.19046	6.6
258.14087	3.6
259.14917	7.8
260.15594	4.6
261.16409	11.1
262.17258	2.5
263.18002	6.9
265.19635	9.7
271.14914	5.3
271.20663	4.8
273.16528	6.9
274.17130	2.8
275.17892	11.6
277.19528	3.2
279.17468	2.6
283.20578	17.1
285.18942	2.8
287.20425	3.4
289.19556	5.3
291.21152	2.5
295.20670	6.2
297.22095	5.6
299.20352	3.2
300.20996	3.1
301.19537	5.9
303.21021	3.4
317.22882	2.7
321.22229	2.8
331.24121	6.2
349.25397	9.7
352.23996	3.0
357.25891	3.2
361.25006	3.6
365.24722	3.9
375.26801	9.3
403.30066	8.9
491.35425	6.6
501.70834	2.6
503.35477	4.5
547.39337	4.3
565.40430	28.2
583.41632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33705	2.4
53.03937	8.0
55.01863	7.3
55.05506	31.8
55.13476	2.4
57.03435	15.8
65.03936	4.7
67.05502	99.8
69.03425	22.4
69.07052	7.7
71.04983	9.9
74.98980	2.3
78.52335	2.5
79.05492	27.3
79.46391	2.5
80.26435	2.6
81.03416	100.0
81.06582	2.8
81.07057	47.2
83.04981	23.3
83.08621	20.3
85.02910	21.6
85.06561	3.6
91.05482	32.2
93.07042	22.3
95.04973	28.8
95.08614	17.1
97.02904	14.9
97.06522	7.6
97.10160	12.7
98.20773	5.5
99.04461	8.6
105.07034	22.1
107.04951	6.1
107.08584	12.0
109.02862	14.4
109.06487	7.9
109.10146	61.2
109.10825	4.9
111.04450	17.0
111.08083	10.4
113.05992	4.0
117.07005	7.9
119.08594	18.3
121.10149	8.5
123.04440	2.6
125.09621	8.8
127.03936	12.7
129.07001	10.1
131.04938	3.9
131.08556	10.8
133.06503	4.2
133.10107	7.9
135.08031	5.7
135.11725	3.5
137.09677	6.4
145.06491	3.3
145.10178	3.6
147.08089	3.5
147.11681	12.4
149.09618	7.1
151.11237	3.0
155.10706	3.1
157.10144	9.6
163.11189	3.9
169.10078	2.9
173.11743	18.0
175.11209	9.9
181.12216	3.7
189.11102	5.0
193.12234	31.8
196.82246	2.9
211.13274	49.1
227.12724	4.1
229.14282	24.2
235.13281	3.6
246.62958	2.9
267.16019	8.0
277.14417	4.0
285.16995	5.3
299.14896	12.0
301.14532	3.2
303.15729	3.6
309.16705	3.0
351.18256	3.1
355.17459	12.6
411.20599	3.5
421.25912	8.3
439.26904	16.0
479.26196	21.5
505.27805	6.4
547.29041	3.4
565.29932	9.7
583.31000	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.1
53.35814	1.3
55.01853	5.4
55.05269	2.4
55.05506	27.1
57.03439	11.6
59.04977	3.6
62.54920	1.3
65.03922	4.3
67.05503	100.0
69.03431	22.1
69.07064	7.5
69.58456	12.5
71.01343	1.7
71.04980	9.6
79.05064	1.8
79.05490	27.9
81.03415	88.1
81.07051	40.7
81.15616	1.5
83.04540	1.8
83.04976	20.9
83.08153	1.4
83.08615	21.8
85.02903	21.1
85.06532	4.5
91.04969	2.3
91.05478	34.1
93.06570	1.9
93.07050	23.3
95.04459	1.9
95.04968	24.9
95.08600	13.9
95.65614	1.4
97.02888	16.1
97.06504	5.4
97.10172	15.1
99.04445	4.0
103.03898	1.7
105.07039	16.7
107.04974	10.2
107.08590	14.2
109.02882	17.0
109.06477	5.0
109.10155	68.7
111.04444	17.8
111.08080	10.4
113.05976	2.7
115.05417	1.7
117.07013	3.6
119.04902	2.2
119.08569	24.0
121.06457	6.5
121.10142	8.4
123.04374	4.6
123.08017	3.0
123.11668	1.6
125.09603	10.7
127.03902	13.2
129.05467	2.0
129.06987	10.3
131.08545	11.6
133.06473	2.9
133.10098	9.6
135.08015	4.3
135.11638	2.6
137.09540	5.4
139.91922	1.6
142.07735	4.1
143.08461	2.2
145.06386	2.9
145.10065	4.8
147.04391	2.1
147.08022	3.7
147.11685	14.8
149.05885	2.3
149.09543	4.0
155.10620	3.6
157.06372	1.9
157.10115	9.7
161.05972	1.8
163.11168	3.6
165.12733	4.9
171.11656	2.3
173.11739	20.6
175.11183	9.2
189.11157	8.1
189.12764	3.8
191.10701	2.9
193.12236	34.4
199.11081	2.2
211.11307	2.7
211.13278	45.5
217.12128	2.8
221.15347	2.8
227.12781	8.0
229.14314	27.3
235.13199	2.8
249.14664	1.8
267.15897	8.7
273.14774	2.6
277.14224	6.3
281.13699	3.0
283.15274	2.3
285.16846	5.6
294.54813	1.5
299.14999	10.8
301.14154	4.3
309.16782	4.4
331.17380	1.9
337.16498	3.7
351.18033	3.5
355.17599	11.1
373.18570	2.2
375.17978	1.9
393.18906	3.2
411.20160	3.6
421.25903	8.2
439.21185	2.3
439.26819	24.0
445.25616	1.8
463.26718	2.3
487.26715	2.6
505.27869	12.0
529.27740	3.6
535.28650	2.3
537.66388	1.7
547.28650	4.8
565.30359	11.4
583.30798	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01859	6.1
55.05257	2.3
55.05504	23.3
57.03416	9.5
59.04987	2.8
61.87031	1.7
65.03932	3.3
67.05499	100.0
69.03420	20.1
69.07052	8.3
69.90024	1.7
71.01357	2.5
71.04985	6.7
71.59675	1.9
73.02921	3.3
77.39400	1.9
79.05486	20.3
81.03410	82.2
81.07047	32.0
83.04970	17.8
83.08617	17.0
85.02893	20.8
85.06544	3.9
91.04942	3.4
91.05467	26.5
93.07030	20.0
95.04950	19.6
95.08599	8.7
97.02875	15.5
97.06512	4.3
97.10176	9.0
99.04450	3.7
105.07022	17.4
107.04927	8.6
107.08578	8.3
109.02866	18.7
109.06519	2.9
109.10146	54.1
111.04436	17.8
111.08069	5.5
115.05424	2.2
117.07002	3.6
117.92033	1.7
119.08588	17.4
121.06512	4.5
121.10135	8.6
123.04433	11.5
125.09636	6.9
127.03902	11.9
129.05502	2.6
129.07001	6.2
131.08607	4.6
133.06477	2.1
133.10168	7.2
135.11702	2.9
137.06064	2.3
137.09625	3.0
139.03932	4.3
143.08562	2.2
145.10123	4.5
147.04433	2.3
147.08055	2.2
147.11662	10.7
149.09619	5.2
157.10162	6.5
163.07555	2.1
163.11163	2.1
165.12823	3.5
173.11714	21.7
173.86310	2.2
175.11220	7.1
181.12236	3.2
181.77116	2.4
187.19640	1.7
189.11224	5.8
191.03380	3.1
193.12218	29.7
195.06229	1.7
196.41037	1.8
211.13260	44.8
211.15205	2.7
227.12756	9.3
229.14328	15.5
235.13309	1.9
249.15007	1.9
267.15967	6.4
277.14343	2.2
285.10159	5.9
285.17200	2.3
299.14902	5.7
301.14420	5.7
309.16885	3.3
319.15521	3.3
337.16431	4.9
355.17450	12.7
355.47922	1.9
395.07761	1.9
403.25052	2.5
411.20676	4.0
421.25943	5.3
439.26831	17.4
455.26389	2.7
565.30298	9.8
583.31055	85.6
584.31592	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62405	1.7
56.96287	3.2
56.96563	52.2
71.08281	4.2
74.97596	9.6
84.96032	4.7
89.17921	1.6
97.02892	1.8
98.97586	6.3
99.40347	1.8
102.97143	1.8
107.04964	4.1
109.21678	1.8
116.98594	10.8
123.04434	5.4
132.98088	5.2
134.99677	10.4
142.62466	1.7
150.99144	22.9
153.01842	2.9
160.99187	2.3
163.00671	13.0
165.99391	4.7
167.00169	2.3
169.00211	16.8
171.57208	1.6
179.00069	8.6
180.99493	1.7
181.00041	2.4
181.01718	26.2
182.99683	7.1
184.00430	17.8
185.01190	9.1
187.09889	1.7
191.00174	3.4
194.97360	2.5
197.01221	51.2
197.02800	2.5
199.02800	26.8
202.01509	5.1
203.02299	2.8
206.99625	2.5
208.99623	3.3
209.01247	11.4
211.02843	2.4
215.00218	2.7
215.02196	17.1
216.98038	2.2
217.03851	9.6
221.01192	4.3
224.98718	2.0
225.00560	9.6
227.02260	100.0
234.99150	7.0
237.00664	2.4
239.02129	8.4
241.00189	7.1
241.03635	3.0
242.99475	2.2
243.01784	5.4
245.03345	34.5
253.00169	64.0
253.02638	3.8
255.01817	4.1
257.03290	5.3
267.01819	9.3
271.01215	73.9
273.02878	2.1
273.56073	1.8
275.03784	1.9
283.01334	2.9
285.02902	15.6
288.03137	2.4
289.02136	13.1
305.90222	2.0
311.00748	30.5
317.03177	1.9
320.51373	1.9
325.02356	4.4
329.01804	91.8
331.04593	2.1
343.03244	4.1
347.02841	23.1
352.03461	3.5
387.02374	10.9
405.03604	4.1
431.02911	8.5
445.04636	10.8
449.03906	34.4
459.03940	3.8
463.05380	11.5
463.28647	1.8
467.04929	18.1
472.05441	3.3
507.03867	9.9
521.05457	2.7
525.05396	7.7
583.05554	4.8
583.47870	2.0
607.42157	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	581.15
Annotation	Kaempferol 3-lathyroside
Peak:m/z	Relative Intensity
53.03924	0.3
55.01870	0.5
56.96553	0.2
57.03426	1.1
61.02919	1.3
62.91634	0.2
65.66914	0.2
68.99776	0.4
69.03116	0.2
69.03423	2.2
70.06568	0.2
70.95570	0.5
71.01355	0.5
73.02914	7.2
76.55694	0.2
79.05478	0.4
80.31962	0.2
81.03432	0.4
85.02901	4.3
87.04449	0.4
94.85986	0.2
95.04971	0.2
97.02878	2.7
98.97531	0.3
99.04436	0.2
105.07012	0.4
107.04968	0.4
109.02860	0.5
111.00808	0.6
111.04415	0.3
115.03920	1.2
116.98589	0.3
121.02863	2.0
121.06474	0.3
123.04389	0.4
127.03936	1.1
133.02818	1.0
133.04950	1.1
133.06451	0.5
135.04422	0.3
137.02312	0.5
137.06003	0.4
139.07527	0.2
145.04947	1.4
146.99567	0.3
147.04393	0.4
153.01823	3.9
154.02051	0.2
161.05977	1.1
165.01857	1.6
167.07057	0.5
175.03802	0.2
176.08237	0.3
183.02899	0.6
185.06007	0.3
191.06915	0.3
193.08560	0.3
213.05411	1.1
226.98640	0.4
231.06525	0.7
237.02655	0.3
241.04918	0.9
258.05225	0.9
259.01376	0.2
287.05475	100.0
288.05820	1.2
295.08157	0.3
297.05576	0.2
299.05698	0.2
329.06470	0.4
347.65240	0.2
353.07040	0.2
401.16180	0.2
419.09659	1.3
424.77969	0.2
427.72296	0.2
449.10782	16.4
508.95636	0.3
581.20612	1.0
593.15308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43380	0.2
53.03925	0.4
53.18660	0.2
53.44693	0.2
55.01862	0.3
57.03437	1.1
59.30029	0.2
60.12019	0.2
61.02924	1.4
68.99786	0.3
69.03425	2.3
71.01328	0.3
71.51238	0.4
73.02921	1.4
81.03403	0.8
85.02901	5.2
87.04472	0.3
91.03908	0.4
95.04974	0.3
97.02896	2.3
99.04469	0.3
107.04946	0.4
108.44901	0.2
109.02859	0.7
111.00802	0.6
115.03900	0.5
116.98591	0.4
121.02863	2.2
127.03890	1.3
133.02817	0.5
137.02321	0.5
137.05977	0.3
145.04915	1.1
147.04387	0.8
153.01828	3.4
157.06526	0.2
165.01833	2.1
167.07004	0.2
183.02930	1.0
189.05319	0.3
194.09084	0.2
204.10187	0.2
204.75104	0.2
213.05411	0.9
215.07423	0.2
222.08328	0.3
231.06454	0.6
241.04897	0.7
254.19917	0.2
258.05215	1.0
259.05838	0.4
270.34921	0.2
287.05475	100.0
288.05826	0.7
313.11758	1.0
339.46048	0.2
373.13885	0.8
387.16592	0.3
390.66174	0.2
419.09711	18.5
435.12567	0.3
581.20514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1494
Annotation	Artabotryside A
Peak:m/z	Relative Intensity
57.03437	3.6
59.30795	0.5
68.99806	0.6
70.07961	1.9
71.04988	19.1
75.04449	0.6
81.03368	0.5
85.02898	18.9
98.21400	0.8
109.02788	0.6
111.00762	1.5
121.02868	1.3
129.05484	4.5
137.02322	3.3
149.02292	0.7
153.01808	3.0
163.03865	0.5
165.01831	2.0
183.02925	0.8
201.05432	1.8
229.04951	5.4
247.06082	0.7
257.04431	3.3
274.04755	0.8
285.03925	1.5
303.04968	100.0
304.05347	1.0
315.04889	1.2
345.05939	1.3
357.77258	0.5
385.93094	0.6
413.08557	0.9
435.09225	26.2
449.11276	1.2
518.42993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1498
Annotation	Kaempferol 7-glucosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
56.12405	0.2
57.03422	0.4
61.02650	0.3
61.02924	4.3
63.05079	0.2
68.99789	0.4
69.03408	0.8
71.13445	0.4
73.02908	1.4
79.05471	0.3
81.03409	0.4
85.02898	3.2
91.03941	1.4
92.98763	0.2
97.02888	1.7
99.04440	0.3
105.03403	0.3
107.04948	0.3
109.02814	0.3
111.00791	0.7
115.03901	0.5
121.02872	2.2
123.04436	0.4
127.03905	1.0
133.02827	0.4
135.04427	0.3
137.02324	0.6
139.03845	0.2
145.04948	0.4
145.06482	0.3
147.04391	0.5
153.01814	3.3
157.06476	0.4
163.03961	0.2
165.01840	1.2
167.07001	0.3
183.02922	0.8
185.05984	0.5
213.05470	1.0
231.06505	0.7
241.04933	0.9
258.05145	1.1
259.06119	0.5
287.05475	100.0
288.05750	0.8
359.27908	0.2
419.09702	19.1
581.23584	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04998	0.1
70.86450	0.1
70.86792	0.2
71.04948	0.4
71.07344	0.1
76.47773	0.1
79.05453	0.2
85.02857	0.4
91.05464	1.2
95.04894	0.1
103.05424	0.3
104.06202	0.2
105.07030	3.3
111.00781	0.1
114.27333	0.1
117.07038	0.1
118.06528	0.2
123.04419	2.4
131.07323	0.2
132.08049	1.0
133.08867	10.2
135.02853	0.1
135.04416	0.3
139.03902	0.7
144.08047	0.2
146.09666	0.4
147.04401	0.4
147.10448	0.1
148.11201	100.0
149.11569	1.2
267.56033	0.1
273.07608	0.9
287.05392	0.5
288.06104	0.4
289.03177	0.1
289.06137	0.5
307.20148	1.3
316.04504	0.1
432.10394	0.2
433.10416	0.5
441.24307	0.2
579.27667	6.8
580.28113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.7
57.03436	0.8
57.07071	1.9
67.05489	0.9
71.08624	1.0
79.82388	0.8
81.07058	1.3
83.08601	0.8
95.08634	0.7
100.45884	0.7
124.47802	0.6
125.10347	0.7
125.20917	0.6
143.15733	0.7
176.97331	0.8
212.93382	0.7
267.15689	6.0
313.27432	1.2
323.18375	4.9
406.79926	0.7
579.42285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1494
Annotation	Artabotryside A
Peak:m/z	Relative Intensity
55.05503	0.8
57.03427	2.5
66.66991	0.6
69.03421	0.8
69.56461	2.2
69.56875	2.8
71.04990	14.5
73.02919	1.4
79.33528	0.7
80.43540	0.6
83.44418	0.6
85.02422	1.2
85.02905	16.1
98.20747	1.4
99.29288	0.6
111.00764	1.3
129.05499	3.6
134.73947	0.6
137.02310	3.8
141.16238	0.7
147.06514	1.3
153.01804	5.0
153.11263	0.7
165.01799	2.0
183.02744	1.0
197.21086	0.7
201.05478	1.8
221.29990	0.8
229.04892	3.5
247.05954	1.0
249.95619	0.7
257.04498	2.6
285.03873	1.5
303.04980	100.0
304.05243	1.0
315.04913	0.9
345.05875	1.4
395.07736	0.9
435.09213	30.3
449.10873	4.6
451.58978	0.7
544.17810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63048	0.5
55.01851	0.7
56.96539	0.5
58.88253	0.6
59.79782	0.5
61.89989	0.5
65.03917	1.1
67.05469	0.9
67.27700	0.5
68.99752	0.7
69.03400	1.6
71.59330	0.9
78.04681	1.9
79.05469	1.1
81.03394	1.8
85.02905	3.2
91.05462	1.1
95.04948	1.9
97.02893	1.3
98.97549	1.2
99.04448	0.6
101.34209	0.5
103.05441	1.2
105.03339	0.7
106.04165	0.8
107.04914	1.5
109.02811	0.7
110.03625	0.6
111.04423	1.1
115.05450	3.1
117.07004	5.5
119.04860	0.6
119.08585	0.6
123.03558	1.1
123.04423	14.8
124.05240	2.4
124.15445	0.4
127.03906	14.0
127.05399	0.8
128.98599	0.7
131.04897	0.9
134.03584	0.6
135.04398	4.1
137.02290	1.0
137.05969	0.7
138.03070	1.0
138.08134	0.6
139.03886	7.7
143.04935	0.9
145.06480	11.8
147.04387	3.5
151.03893	1.9
152.04669	2.1
153.01810	1.9
155.04912	0.7
155.06018	3.1
161.05980	1.0
163.03876	5.6
165.05475	1.4
167.07036	100.0
168.07420	0.5
171.06540	1.2
173.05978	19.6
175.04044	0.5
177.05478	1.0
181.04953	24.5
187.04045	0.7
189.05469	0.6
191.03398	1.9
193.04930	0.8
201.05457	1.8
202.61446	0.6
203.03435	1.9
203.06865	0.5
205.08586	4.2
207.06480	0.8
211.02823	0.5
219.01770	0.7
219.06377	0.6
219.10271	0.8
220.10547	0.9
229.05058	0.7
233.04428	0.7
233.08058	5.8
235.09669	4.1
237.02776	1.2
245.04526	1.8
247.06052	2.0
251.05542	0.8
255.06543	0.9
257.04507	1.9
257.07019	1.3
259.05865	1.0
271.05908	2.8
275.05554	2.0
275.36978	0.6
283.05875	1.0
287.05505	5.6
289.07043	1.9
291.08749	1.6
299.05548	1.0
301.06943	2.6
358.21414	0.6
383.10196	2.4
387.14365	17.4
399.19843	0.6
409.08987	4.0
411.10840	0.7
417.15411	11.7
417.20859	0.7
421.08728	0.6
427.10849	0.7
439.68179	0.6
579.20325	63.0
580.20868	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25176	1.6
53.03942	1.9
55.01841	1.7
56.16086	1.2
56.96554	4.0
65.03925	1.5
68.99782	3.2
70.06555	1.3
71.59638	1.8
71.60033	2.0
81.03410	2.7
83.50356	1.2
85.02896	3.0
87.79836	1.3
95.04958	2.5
98.97578	3.8
99.04433	2.1
107.04960	2.7
109.02856	1.9
111.04450	3.6
116.98612	2.4
119.04951	2.1
123.04420	39.4
127.03908	64.8
128.98599	2.6
131.04968	1.9
133.06503	1.7
135.04408	21.8
137.02347	6.0
137.05960	4.2
138.10907	1.3
139.03889	40.6
145.06482	2.1
146.99660	3.7
147.04410	8.4
149.01237	1.8
149.02333	2.3
149.05933	2.2
151.03897	6.2
153.01839	6.0
154.02156	1.6
159.04459	3.1
161.05945	3.6
163.03893	26.4
163.07565	2.4
165.05486	5.6
166.78554	1.4
167.03329	6.5
167.07043	10.1
169.06395	1.5
173.05983	4.2
175.03854	1.8
177.05463	3.2
179.03395	2.4
181.04982	3.2
181.26653	1.3
185.05980	2.0
187.03860	2.7
189.05522	1.7
191.03429	7.9
193.05016	3.5
197.05991	2.2
201.05417	4.4
203.03471	8.3
203.07010	1.6
205.04948	2.8
215.06976	2.0
216.07355	1.3
219.01736	2.1
225.05542	1.6
229.04974	3.9
233.04448	3.2
237.02800	4.6
239.05795	1.4
241.05042	1.5
243.06578	4.0
245.04306	6.7
247.06049	12.3
253.13715	1.5
257.04434	9.0
257.06845	2.6
259.05963	6.0
269.04410	2.3
271.05954	12.6
273.07553	1.6
275.05463	13.5
283.05801	6.4
283.08722	2.1
287.05423	16.3
289.07034	8.7
291.08591	8.6
299.05542	3.5
301.06912	6.6
358.24167	1.6
383.10254	8.9
391.08176	1.4
401.10965	1.9
409.08969	18.0
411.10574	3.8
415.09897	2.6
427.10504	4.3
433.11249	7.7
439.10675	2.0
453.33130	1.3
561.16492	3.4
579.18365	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1706
Annotation	Kaempferol 3-rhamnoside-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
57.03438	3.4
58.93674	0.6
61.58250	0.4
63.03423	0.5
70.01215	1.9
70.01642	0.7
71.04992	20.1
73.02906	1.4
75.04465	1.8
83.04996	0.7
85.02903	20.5
88.20905	0.6
107.77484	0.5
111.00811	0.6
121.02864	2.8
127.03887	0.8
129.05473	4.2
137.02370	1.3
145.06506	0.5
147.04352	1.1
147.06497	0.7
153.01825	3.5
154.90135	0.5
165.01840	1.7
167.07033	1.7
181.04959	2.0
183.02856	0.8
185.05864	0.7
213.05550	1.0
231.06493	1.1
241.04973	0.8
257.04422	0.5
258.05157	0.9
259.06082	1.0
271.05984	6.0
272.14560	1.0
283.11990	0.6
287.05490	100.0
288.05844	0.9
289.06146	0.9
289.79736	0.5
299.05490	1.1
303.05051	6.4
329.06424	1.3
343.04443	2.3
345.85480	0.5
353.06686	0.9
397.09143	1.1
411.45825	0.6
415.10550	0.8
433.11270	20.1
435.09357	0.6
447.09256	3.3
579.19867	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1707
Annotation	Scutellarein 7-methyl ether 6-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
57.03436	2.9
70.85282	0.8
70.85596	0.5
71.04991	16.7
73.02921	0.4
74.78630	0.3
75.04476	0.4
76.72083	0.5
85.02901	15.0
87.04438	0.4
87.45474	0.3
91.05447	0.8
105.07010	1.5
121.02876	1.9
123.04424	1.4
127.03957	0.6
129.05489	3.0
133.02872	0.6
133.08852	4.3
134.82852	0.4
139.03903	0.5
147.04356	0.6
148.11205	45.8
167.03409	2.7
167.07060	1.3
171.08131	0.4
179.03394	1.9
197.04495	0.6
199.07489	0.6
227.06987	0.8
255.06514	0.7
264.36752	0.4
272.06818	1.2
273.07553	0.9
299.05417	0.5
301.07050	100.0
302.07281	0.8
307.19974	0.5
313.07013	0.4
343.08295	0.8
359.87277	0.4
411.10669	0.4
429.12036	0.6
433.11282	30.0
447.13083	0.6
475.12305	0.4
501.74280	0.4
579.21106	1.9
579.27356	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1703
Annotation	Kaempferol 3-O-alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03933	3.2
57.03431	11.7
69.03430	15.1
70.07162	1.9
70.10004	9.7
71.04987	88.5
73.02919	10.2
75.04467	2.3
81.93794	1.9
83.04974	10.0
85.02899	97.9
95.04940	2.3
99.04434	3.3
106.01377	1.9
111.04414	7.7
117.05507	10.6
121.02832	17.3
127.03935	3.1
129.05470	25.4
147.06482	3.4
163.06030	11.4
184.26306	2.3
195.91699	2.0
280.96252	1.9
283.05975	4.8
287.05481	100.0
297.07288	3.3
299.05490	28.6
299.77005	1.9
300.06226	8.7
311.05420	9.2
313.07111	6.0
325.06973	9.2
329.06519	58.5
337.07034	3.0
351.08588	5.3
353.06534	19.2
361.05649	2.1
379.08093	16.9
397.09122	44.5
415.10175	21.3
433.11255	29.6
554.83026	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	579.1702
Annotation	Kaempferol-3,7-O-bis-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
55.05501	0.3
57.03432	3.0
58.85105	0.3
68.99763	0.4
70.65920	0.4
70.66275	0.7
71.04987	19.9
73.02898	0.4
75.04440	0.5
75.67305	0.2
83.04971	0.4
85.02898	19.3
87.04442	0.3
93.45322	0.3
107.30013	0.2
111.00811	0.5
111.04419	0.4
121.02853	2.4
129.05464	4.9
133.02791	0.4
137.02332	0.6
147.04381	0.5
147.06508	0.6
153.01819	2.9
165.01793	1.3
167.07080	0.3
183.02924	1.0
189.05492	0.4
213.05495	1.0
231.06487	0.6
241.04897	0.9
258.05231	1.1
259.05829	0.3
271.06064	1.6
287.05472	100.0
288.05789	0.9
299.05185	0.6
303.04834	0.4
329.06421	0.6
353.06329	0.5
369.88065	0.3
378.49222	0.3
379.21927	0.2
397.09058	0.7
433.11279	22.6
434.11758	0.4
520.91406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34663	0.6
53.03922	0.7
54.30986	0.6
55.01855	1.0
65.03897	0.7
68.68165	0.6
68.99787	3.4
69.03409	1.4
70.92755	1.1
70.93073	0.9
81.03404	2.6
85.07491	0.7
93.03384	0.7
95.04947	1.3
98.97574	3.2
99.04478	0.7
103.05454	0.9
106.20323	0.6
107.04949	2.7
109.02866	2.2
111.00765	1.8
111.04436	2.2
116.98615	2.0
119.01967	0.8
119.04924	1.4
121.02852	0.9
122.52190	0.6
123.03677	0.7
123.04417	34.0
127.03906	100.0
131.04933	1.8
135.03386	1.0
135.04404	25.0
137.02344	2.7
137.48251	0.7
139.03886	39.6
141.06961	0.8
147.03386	0.8
147.04356	4.4
149.02359	3.2
149.05957	1.5
151.03889	5.5
153.01813	0.9
159.04475	3.1
161.01263	0.8
161.06004	2.9
163.02542	1.5
163.03891	30.6
165.05467	4.8
167.03389	7.2
169.06520	1.8
173.06009	2.4
175.03937	1.9
177.00620	0.8
177.05498	3.0
179.03424	1.9
185.03104	0.8
185.05997	1.2
187.03871	5.0
189.05460	1.8
191.03369	9.1
193.04932	1.9
197.03313	1.4
197.05994	2.7
201.05492	5.3
203.03342	5.3
203.06995	1.6
205.04955	2.3
207.06667	0.8
208.01720	0.7
215.03374	1.7
215.07053	2.1
217.05183	0.9
219.01830	0.8
221.06839	0.8
225.05499	1.1
229.04973	6.3
231.06711	1.6
233.04459	3.6
233.07135	0.9
237.02847	2.3
241.05009	1.4
243.06506	3.8
245.04440	5.1
247.06064	10.8
251.05647	1.3
253.04909	1.1
255.06436	1.5
257.04437	6.4
259.06000	8.4
269.04437	2.0
271.06006	16.0
273.07538	1.1
275.05472	13.5
283.06033	5.3
287.05481	17.5
289.07007	7.4
291.08582	8.1
299.05453	3.7
301.07074	8.1
307.08847	0.9
323.06494	2.1
323.10223	5.5
325.06723	0.8
327.08212	0.8
391.08490	0.8
409.09137	15.4
411.10663	1.9
421.09631	0.9
427.10245	3.6
435.25574	0.7
463.80746	0.8
503.10226	1.3
579.14563	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1493
Annotation	ent-Epicatechin-(4alpha->6)-ent-epicatechin
Peak:m/z	Relative Intensity
53.03942	1.3
55.01867	2.1
68.99787	4.4
70.85077	2.4
73.47316	1.1
81.03407	1.6
82.55818	1.1
85.02882	1.6
85.07683	1.4
89.03951	1.3
93.03423	1.9
95.04942	2.3
97.02908	1.2
105.03382	1.9
107.04960	4.8
109.02853	2.8
111.00809	3.2
111.04443	3.2
117.07061	1.2
119.04932	4.5
121.02898	1.8
123.04424	100.0
127.03913	64.2
131.04947	2.5
135.04417	26.9
139.03899	30.0
143.04938	1.7
145.06503	3.5
147.04401	17.0
149.02318	3.1
149.05984	1.9
151.03918	5.2
153.01848	1.7
159.04483	1.4
161.05975	5.5
163.03900	39.3
165.05479	8.9
167.03354	3.5
167.04779	1.2
167.07043	12.9
169.06482	1.5
173.05992	5.2
175.03889	2.9
177.05484	3.6
178.99744	1.2
179.03400	7.8
181.04947	4.5
181.06454	1.3
185.05960	2.4
187.03889	5.2
187.07521	1.7
189.05434	2.2
191.03406	7.2
193.05035	5.9
197.06015	3.7
201.05472	5.1
203.03383	13.7
205.04890	1.9
207.06526	2.5
213.05515	2.5
215.03416	1.9
215.06981	1.7
217.04973	3.4
229.04970	5.8
231.06552	2.2
233.04391	2.2
237.05269	1.3
241.04919	2.9
243.06557	4.4
245.04456	12.6
247.06015	17.9
253.05023	2.2
255.06496	3.1
257.04483	18.0
258.05197	1.5
259.06015	5.0
269.04453	2.5
271.05936	15.5
273.07654	2.4
275.05505	13.7
283.06015	7.9
285.07642	1.7
287.05502	37.0
289.07034	7.8
291.08685	10.4
295.06042	2.0
299.05484	9.9
301.06967	9.1
303.05032	4.4
303.08615	3.1
313.07086	1.7
380.37692	1.1
387.14197	1.5
409.09143	39.6
411.10614	2.9
421.09152	3.3
427.10013	4.2
435.10754	5.0
439.10281	5.4
447.09042	2.3
453.11667	1.5
579.20282	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	579.1493
Annotation	CHEBI:68336
Peak:m/z	Relative Intensity
55.01867	2.0
65.03930	1.5
68.99791	3.7
70.72450	2.4
79.45371	1.1
79.45863	1.0
80.78001	1.1
89.51275	1.2
95.04972	2.9
107.04943	2.4
111.00824	1.6
111.04414	4.1
115.05479	1.1
119.04954	4.4
121.02868	1.2
123.04426	78.2
127.03913	35.4
128.02632	1.3
129.06941	1.0
131.04953	2.6
135.04405	13.7
137.02353	5.7
137.05946	1.2
139.03897	100.0
143.04950	1.8
147.04388	13.5
149.02347	1.5
149.05991	1.5
151.03946	3.1
153.01846	1.6
157.06509	2.3
159.04434	2.0
161.05948	10.3
163.03900	57.6
165.05481	7.4
165.06689	1.0
167.03410	4.1
169.06514	3.2
171.04410	1.5
173.05972	2.0
175.03923	3.0
177.05568	1.4
179.03441	1.5
181.04915	1.8
183.04448	1.4
185.06030	2.8
187.03954	2.9
187.07520	1.2
189.05515	4.5
191.03413	4.1
193.04958	1.9
197.05951	5.1
201.05476	5.3
203.03398	3.7
205.04990	1.4
213.05415	5.6
215.06981	1.3
217.05008	2.1
225.05490	5.3
229.04942	11.4
230.05753	1.1
231.06538	4.8
233.04469	1.6
237.05609	1.4
241.04948	8.2
243.06520	9.4
245.04564	2.5
247.06020	15.3
253.04976	3.2
255.06606	2.6
257.04416	6.6
259.06018	32.8
265.04892	1.3
267.06693	1.4
269.04599	1.7
271.05975	19.5
275.05466	6.0
283.05978	6.6
287.05402	11.3
289.07053	22.1
291.08652	4.8
295.06149	1.6
299.05475	1.8
301.07034	12.5
375.08459	1.7
391.08084	3.0
393.09616	4.8
405.09644	1.9
409.09174	37.8
411.10587	2.8
417.10059	2.7
421.09076	3.6
423.10760	5.9
427.10147	7.6
433.11432	7.1
435.10706	3.2
441.11938	5.2
523.42389	1.3
543.12665	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1493
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.03940	0.7
55.01863	2.1
56.23231	0.5
62.21202	0.6
65.03940	0.9
67.01839	0.6
67.05510	0.7
68.99783	5.2
69.58144	1.2
69.58547	3.3
77.03928	0.8
79.05467	0.9
81.03409	3.2
85.02886	0.8
89.03942	0.6
91.05540	0.6
93.03368	0.9
95.04984	1.5
99.04467	1.3
103.05478	0.6
105.03410	1.1
107.04954	3.9
109.02888	3.5
111.00805	2.2
111.04443	2.5
117.03363	0.7
119.04899	1.5
121.02876	2.4
123.04419	44.7
127.03909	100.0
128.04274	0.8
131.04948	2.0
135.04408	29.4
137.02325	2.3
139.03891	48.5
141.06975	1.2
143.04938	1.2
145.06500	0.6
147.04395	7.6
149.02373	3.7
149.05966	1.9
151.03888	8.0
155.04837	0.7
157.06409	0.9
159.04414	4.1
161.06018	3.3
163.03903	33.3
165.05461	7.0
165.91341	0.6
167.03394	8.3
169.06467	1.4
173.05966	3.9
175.03903	4.0
177.01918	0.7
177.05498	3.7
179.03366	3.2
183.04451	1.6
185.05981	0.9
187.03850	6.4
187.07527	0.6
189.05444	3.1
191.03381	11.0
193.04942	3.5
197.05989	3.5
201.05444	6.5
203.03371	7.5
203.07057	1.9
205.04951	3.5
207.06583	1.3
213.05373	1.6
215.03378	1.5
215.07054	3.0
217.05029	1.4
225.05460	1.9
227.07222	0.8
229.04942	6.6
231.06479	1.7
233.04439	5.2
241.04926	1.7
243.06577	3.5
245.04469	5.5
247.06015	13.4
251.05501	1.8
253.05025	1.5
255.06557	1.6
257.04443	8.2
258.05200	0.9
259.06021	8.3
269.04327	3.0
271.06009	18.4
272.06448	0.7
273.07639	1.1
275.05478	16.5
283.06000	6.3
285.07477	0.6
287.05472	20.9
288.06091	0.9
289.07013	11.2
291.08615	12.6
297.07562	0.8
299.05569	4.4
301.07062	13.0
301.10233	0.5
303.08688	2.2
405.07938	0.7
409.09195	21.8
411.10675	3.3
421.08902	1.0
423.10620	1.0
427.10251	5.7
435.10452	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1493
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
55.01870	1.2
65.03943	1.1
68.99774	3.2
71.34949	1.2
79.05455	0.8
81.03405	2.6
91.05491	0.8
95.04951	1.5
99.04465	1.0
103.05427	0.7
107.04981	2.8
109.02865	2.7
110.36052	0.6
111.00774	2.2
111.04429	2.6
115.05434	1.0
119.04939	0.9
121.02856	1.1
123.04421	32.3
127.03907	100.0
128.04260	0.6
131.04945	1.7
135.04405	28.1
137.02333	2.3
139.03893	42.9
143.04881	0.8
147.04373	5.5
149.02306	4.3
151.03871	6.8
155.04909	0.6
157.06549	0.7
159.04434	2.3
161.05980	3.7
163.03893	31.9
165.05453	4.6
167.03423	6.4
169.06461	1.7
173.05983	2.4
173.30919	0.6
175.03922	2.3
177.05472	3.4
179.03412	2.2
183.04306	0.7
185.06026	1.0
187.03870	5.0
189.05489	2.4
191.03366	8.8
193.04948	2.6
197.05969	2.7
201.05466	6.5
203.03395	5.4
203.07060	1.6
205.04939	1.6
207.06567	1.1
213.05435	0.9
215.03510	1.0
215.07047	1.9
217.04948	1.4
225.05470	1.4
229.04924	5.4
231.06668	0.8
233.04396	4.1
243.06491	3.8
245.04431	5.2
247.05992	13.0
247.08426	1.0
251.05469	0.9
253.04941	1.4
255.06599	1.1
257.04501	7.1
258.05261	0.7
259.05981	8.3
269.04404	1.7
271.05978	18.3
273.07642	0.8
275.05487	15.0
283.05951	4.8
287.05502	16.1
289.07059	10.9
291.08591	9.7
297.07733	0.9
299.05557	2.5
301.07095	10.2
303.08664	1.8
381.92120	0.6
409.09158	20.5
411.10779	2.0
421.09100	0.9
427.10202	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	579.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.01863	2.0
62.93148	0.7
67.05505	0.9
68.99784	4.1
71.51500	0.7
81.03407	2.0
84.37017	0.7
85.35516	0.7
88.70152	0.8
89.03902	0.9
93.03378	0.8
95.04970	1.3
96.66315	0.7
99.04500	1.4
103.05445	1.0
105.03343	1.0
107.04946	2.8
109.02864	2.2
111.00785	2.1
111.04430	2.9
117.03380	0.8
119.04919	2.2
121.02827	2.0
123.04419	45.7
127.03905	100.0
128.04231	0.8
131.04938	2.0
135.04399	29.3
137.02322	3.6
139.03886	55.4
141.06937	0.9
143.04932	1.1
147.04414	7.1
149.02362	4.1
149.05908	1.8
151.03896	8.6
159.04385	2.7
161.05974	3.4
163.03891	37.2
165.05476	9.3
167.03401	6.6
167.07025	1.5
169.05060	1.0
169.06473	1.2
173.05931	4.3
175.03850	2.1
177.05432	3.6
178.76886	0.8
179.03355	2.6
179.07120	1.0
183.04399	0.9
185.04245	0.7
185.05930	1.1
187.03853	5.0
189.05435	2.3
191.03366	10.7
193.04993	3.1
193.71793	0.7
197.05933	2.5
201.05431	6.2
203.03375	8.8
203.06996	1.7
205.04977	2.5
207.06488	1.2
213.05473	1.0
215.03516	0.8
215.07027	2.5
217.04947	1.4
225.05482	1.7
227.03307	0.7
229.04901	6.9
231.06537	1.1
233.04460	6.6
241.05020	1.1
243.06505	4.2
245.04483	5.8
247.06017	16.8
251.05573	1.6
253.05031	1.1
255.06618	1.7
257.04416	12.0
259.06003	8.1
269.01703	0.8
269.04483	2.6
271.05963	17.4
273.07593	1.6
275.05438	14.8
283.06003	7.1
285.07349	1.1
287.05481	22.2
289.07071	13.0
291.08606	17.3
299.05511	3.8
301.07077	13.9
301.10437	0.6
303.08746	2.2
370.73734	0.7
391.08411	0.7
409.09113	23.0
411.10718	2.4
421.09360	1.6
427.10223	5.2
433.11179	1.6
434.21497	0.7
439.10272	0.8
533.17987	0.8
578.49762	0.8
579.20599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
51.02391	1.3
53.03947	0.7
55.01867	2.1
56.74615	1.0
56.96515	0.8
57.59370	0.8
65.03949	1.9
67.01901	1.0
67.05524	1.4
68.99787	8.6
69.03452	0.9
70.34554	0.9
70.88873	2.3
76.69819	0.8
77.03931	1.4
79.05500	1.4
81.03408	4.0
85.02905	1.9
89.03906	1.0
91.05453	1.5
92.14420	0.8
95.04942	2.0
99.04454	1.3
103.05470	0.8
105.03367	2.4
107.04949	4.2
109.02882	3.7
111.00805	7.0
111.04449	2.5
115.05462	1.9
117.03397	0.9
119.04926	5.6
121.02872	3.7
123.04420	97.7
123.84908	0.8
127.03907	100.0
131.04909	3.1
133.06476	0.9
135.03522	0.6
135.04404	37.4
137.02344	11.7
137.05984	2.3
139.03897	40.9
143.03456	0.9
143.04906	2.1
145.02837	0.9
145.06470	2.1
147.04396	16.9
149.02351	3.0
149.05934	2.1
151.03879	7.2
153.01801	6.0
153.06989	1.2
155.04868	1.4
157.06531	1.2
159.04419	3.9
161.05986	4.7
163.03897	42.3
165.05501	10.5
167.03389	15.6
167.07033	0.9
169.06485	1.7
173.05977	3.7
175.03992	4.2
175.24374	0.9
177.05457	7.7
179.03384	9.3
181.05003	2.0
183.04376	1.1
185.05922	2.1
187.03882	9.1
187.07417	1.2
189.05475	8.9
191.03380	25.6
193.04922	7.1
197.05988	3.1
201.05472	10.5
203.03380	22.6
203.07051	1.7
205.04953	5.1
207.06548	2.0
213.05428	5.3
215.03403	2.9
215.07027	4.3
217.05003	3.3
221.04489	1.0
223.06073	0.9
225.05482	1.0
227.03352	1.3
227.06956	1.1
229.04961	13.4
230.05733	0.8
231.06451	1.8
233.04395	10.7
241.04979	2.7
243.06412	5.0
245.04443	15.7
247.06004	20.4
251.05533	2.8
253.04929	1.7
255.06430	3.0
257.04434	29.9
258.05151	3.3
259.06079	7.0
269.04507	11.1
271.06012	25.9
273.07605	2.6
275.05478	36.1
279.99634	0.9
283.05939	8.1
283.08606	1.0
285.04077	1.0
285.07553	2.8
287.05469	51.1
289.07077	12.1
291.08633	10.0
299.05527	7.5
301.07059	10.7
303.08618	4.9
307.05795	1.2
311.05499	1.0
313.07205	1.7
323.09140	0.9
325.06860	1.2
343.08206	1.1
367.07944	1.2
389.12128	1.1
391.08029	8.4
406.42200	0.9
409.09158	49.6
411.10388	4.9
421.09079	1.4
427.10110	6.7
433.11212	7.3
435.10678	5.0
439.10263	4.7
453.11526	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
53.03910	0.5
55.01862	1.8
57.01381	0.4
60.84348	0.5
62.65352	0.4
65.03918	1.0
67.01855	0.8
67.05492	1.0
68.99777	3.9
69.03419	0.6
70.71513	1.5
70.96611	0.5
71.01331	0.5
77.03914	0.6
79.05489	0.5
81.03403	2.3
83.53687	0.4
85.02880	1.5
89.03895	0.7
91.05441	1.0
95.04951	1.5
99.04436	0.9
103.05414	0.6
105.03372	1.0
105.07014	0.6
106.41374	0.5
107.04981	2.6
109.02869	2.4
111.00787	2.1
111.04415	2.5
117.03428	0.7
117.96385	0.5
119.04939	1.8
120.08125	0.6
121.02879	2.4
123.04420	46.4
123.11726	0.9
124.04774	0.7
127.03911	100.0
128.04279	0.5
131.04912	2.8
133.06485	0.8
135.04408	32.5
136.04771	0.6
137.02339	8.1
137.03352	0.3
137.05956	1.0
139.03897	51.3
141.05928	0.4
141.06966	1.0
143.04927	1.0
145.06462	1.1
147.04405	7.9
149.02315	4.4
149.05997	2.1
150.03024	0.5
151.03900	6.9
153.01830	0.7
153.06921	0.5
155.04932	0.8
157.06465	0.9
159.04427	3.2
161.02278	0.6
161.06000	3.2
163.03899	35.0
164.04398	0.6
165.01897	0.6
165.05476	5.1
167.01982	0.6
167.03392	8.4
167.07043	1.3
169.05049	0.6
169.06450	1.9
173.06010	3.3
175.03821	3.4
177.05463	5.1
179.03398	3.7
179.07077	0.7
181.04974	1.1
181.06419	1.0
183.04381	0.8
185.05977	1.5
187.03862	6.0
187.07538	0.9
189.05424	2.3
191.03383	12.1
193.04927	4.8
197.05942	3.5
200.04535	0.6
201.05461	6.4
203.03389	9.3
203.06960	2.2
205.05011	2.8
207.06538	1.8
213.05507	1.5
215.03505	1.1
215.07053	3.2
217.05043	1.5
217.76414	0.5
223.05930	0.7
225.05435	1.1
229.04924	6.9
231.06578	1.3
233.04439	5.2
237.05484	0.9
241.04939	1.4
243.06487	5.0
245.04466	6.7
247.06013	13.6
251.05537	1.5
253.04953	1.1
255.06499	1.5
257.04431	11.4
258.05075	0.8
259.05988	8.2
261.90933	0.6
269.04291	2.7
271.06000	18.2
273.07693	1.0
275.05493	14.9
283.06033	6.4
283.08841	0.6
287.05493	21.7
289.07043	11.5
291.08615	12.8
297.07401	0.6
299.05441	3.7
301.07037	11.8
303.08527	2.0
311.05359	0.5
315.08813	0.8
327.08649	1.1
343.07947	0.7
362.70047	0.6
389.12271	0.8
391.08218	0.8
409.09177	21.9
411.10794	2.8
417.11786	0.7
421.09079	1.3
427.10248	5.7
433.11276	8.3
439.10120	0.9
453.11404	0.6
579.19550	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	577.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.5
55.01865	4.9
55.05513	34.8
57.03438	14.5
57.07075	5.6
65.03941	6.3
65.54518	2.2
67.05502	79.3
69.03435	4.6
69.07063	26.9
71.05000	17.5
79.05487	61.7
81.03419	25.9
81.07057	100.0
83.04977	11.4
83.08621	22.8
85.06531	11.1
91.05482	57.5
93.07042	63.7
95.04970	20.3
95.08604	61.1
97.06530	10.7
97.10159	15.3
105.07032	54.7
105.07742	3.4
107.04930	5.5
107.08588	40.8
109.06503	7.6
109.10154	33.0
111.08071	5.3
115.63010	2.5
117.07023	23.6
119.08573	39.7
121.06520	4.5
121.10154	30.4
122.07523	2.5
122.10476	2.3
123.08057	7.2
123.11718	14.9
123.91766	2.3
125.09655	14.5
128.06145	2.5
129.06978	12.0
130.93744	2.3
131.08560	37.1
133.10127	32.5
135.08026	4.4
135.11710	13.0
137.09624	6.5
137.13226	4.0
139.11168	3.1
141.81425	2.2
143.08562	12.1
145.10124	22.2
147.11700	25.3
149.09630	7.4
149.13246	8.7
151.11147	3.2
155.08508	7.4
157.10129	16.2
158.79695	2.8
159.11702	20.6
161.13239	10.2
163.11136	4.7
163.14754	2.7
167.08551	4.6
169.10138	10.3
171.10274	2.9
171.11688	15.0
173.11958	2.7
173.13272	10.9
175.11201	3.5
175.14784	6.1
181.10211	3.2
183.11647	5.3
185.13246	6.9
187.13292	3.6
187.14822	5.9
189.11211	8.2
193.12254	9.7
195.11684	2.4
197.13301	5.6
199.14824	5.4
209.13376	4.2
227.12729	15.7
229.75237	2.9
243.21196	3.3
247.16882	3.5
259.20541	4.8
261.22083	10.3
267.15860	24.4
269.17459	4.2
285.22012	4.5
287.20361	3.0
287.23636	6.9
288.11969	3.1
289.21579	4.5
291.19525	6.5
299.23859	2.9
301.25140	12.2
328.96954	2.4
333.24417	3.9
335.25775	18.5
343.22455	2.5
363.25204	7.9
417.30945	3.9
435.27463	2.9
435.32837	15.1
453.33649	13.5
466.60635	2.8
471.34445	10.6
501.36157	3.5
509.36264	6.1
527.37231	65.3
545.38318	46.9
559.40588	5.7
577.39075	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	577.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01859	7.2
55.05255	3.7
55.05508	36.5
57.03429	10.3
65.03912	3.9
67.05502	89.9
69.03403	2.8
69.07065	23.6
69.91568	11.9
70.01052	2.1
71.05001	13.1
79.05058	4.5
79.05489	65.2
81.03414	16.8
81.07055	100.0
83.04974	8.9
83.08619	19.5
85.06544	8.6
91.05478	61.7
93.06470	3.9
93.07040	72.1
95.04965	18.1
95.08603	52.8
97.06528	14.0
97.10159	15.4
99.08068	3.3
105.07026	49.0
107.04955	7.1
107.08592	42.1
108.50924	2.6
109.06506	8.8
109.10147	34.1
111.04408	2.5
111.08070	9.6
115.05479	2.4
116.06104	2.5
117.07005	16.3
119.08574	34.6
121.06546	4.9
121.10146	29.5
122.22046	2.2
123.08064	5.6
123.11710	11.6
125.09630	14.0
128.06216	4.9
129.07031	11.1
131.08578	31.8
133.06487	3.1
133.10121	31.9
135.08041	5.3
135.11708	13.8
137.09636	5.1
139.11169	3.7
143.08591	13.7
145.10104	20.5
147.07999	6.3
147.11681	18.4
149.09563	7.8
149.13239	12.8
151.11168	5.0
155.08510	5.6
157.10144	12.1
159.11693	18.6
161.09625	5.4
161.13263	10.3
163.11224	5.3
167.10712	2.2
169.10112	6.9
171.11632	9.3
173.11909	2.6
173.13234	10.9
175.11185	4.2
175.14812	3.4
177.12741	3.5
181.10190	2.9
183.11649	8.1
185.13208	9.2
187.14738	5.0
189.11238	7.4
193.12257	6.4
195.11864	2.3
195.13681	4.1
197.13214	4.5
199.14844	4.2
201.16513	2.7
211.13150	3.2
211.14896	3.5
213.16438	3.4
215.17867	2.8
227.12741	11.3
239.16267	2.7
245.19014	3.2
253.14363	6.0
253.23734	2.3
257.76013	2.7
261.22089	5.9
263.20004	3.1
267.15784	18.7
269.17404	11.1
271.20584	2.7
273.18469	13.4
279.23431	2.7
285.22171	3.0
289.21686	3.8
291.19489	20.0
293.21408	2.6
299.23740	3.8
301.25259	6.7
309.20447	3.1
317.24890	3.1
335.25952	11.9
347.52682	3.0
359.25732	3.4
363.25336	4.1
365.23160	5.4
417.31226	3.8
435.32516	12.6
453.33542	11.0
471.34564	6.1
519.37262	2.4
527.37335	43.2
545.38232	35.4
559.35980	13.9
577.39148	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	577.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	5.0
53.03945	7.8
54.47098	3.2
55.01872	21.4
55.05510	46.3
57.03425	13.2
59.04985	4.3
62.76805	3.5
65.03917	6.3
65.93574	3.4
66.20831	3.0
67.05170	5.9
67.05503	89.5
68.99797	3.5
69.03413	11.2
69.07064	30.9
69.36329	9.8
69.36749	23.4
71.04982	11.2
79.05063	5.1
79.05492	74.7
80.75498	3.0
81.02968	5.5
81.03416	66.6
81.07055	100.0
83.04987	22.7
83.08620	35.1
85.02908	25.7
85.06523	3.8
91.05476	69.6
93.07041	62.9
95.04964	43.0
95.08601	42.9
97.02868	5.9
97.06517	18.9
97.10154	15.1
103.05467	4.4
105.07034	71.7
107.04955	22.7
107.08587	33.9
109.06521	13.5
109.10164	27.1
110.62733	3.1
111.04403	3.7
111.08076	13.6
115.05502	3.5
117.07038	18.6
119.08582	51.2
121.06490	9.2
121.10139	27.9
123.04420	20.8
123.08083	14.9
123.11707	11.7
125.09630	11.1
127.03886	12.0
129.06998	13.7
131.04869	4.8
131.08574	24.4
133.06500	6.0
133.10129	43.7
135.04396	10.4
135.08043	8.6
135.11674	6.0
137.09615	6.8
139.03937	3.7
143.08539	7.4
145.10124	23.7
147.04402	17.1
147.08025	5.5
147.11693	33.2
149.09610	26.7
149.13248	5.6
151.03845	4.4
151.11160	4.7
155.08569	4.3
157.10164	17.0
159.11661	13.9
161.13242	7.0
163.03888	13.9
163.11157	8.9
165.09157	3.0
165.12804	8.8
168.28716	3.4
169.10197	4.5
171.11674	5.1
173.13210	6.6
175.11209	15.0
177.12721	4.0
183.11652	5.3
185.09750	3.8
189.11194	7.3
193.12236	44.7
207.13751	3.3
211.13246	48.3
211.15015	6.4
227.12770	13.2
229.19218	3.5
239.18103	4.2
241.14296	4.7
247.06044	4.7
257.19119	10.8
267.15805	16.9
269.07968	5.7
275.20059	75.5
285.16885	22.7
287.05435	7.0
292.54517	3.2
293.21167	9.2
329.13736	15.7
349.23688	27.8
367.24738	6.0
378.10352	3.5
409.09482	3.8
467.31375	5.7
485.32336	6.8
541.35217	10.6
559.36261	32.5
577.29529	3.9
577.37488	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01868	6.4
55.05505	29.1
57.03427	7.6
57.07072	2.4
59.04995	2.4
62.58532	1.2
63.42002	1.3
65.03931	12.6
67.05499	65.0
69.03426	5.2
69.07061	17.0
71.04977	5.9
71.55573	2.3
73.44614	1.3
79.05489	44.0
80.57230	1.2
81.03402	7.0
81.07049	75.4
83.04979	8.5
83.08609	18.8
85.06538	4.3
91.05470	38.1
93.07038	53.1
93.07630	3.2
95.04947	18.6
95.08598	37.4
96.93052	1.5
97.06525	8.5
97.10163	19.0
99.04437	1.7
99.08070	2.1
105.06366	1.4
105.07021	28.5
107.04958	4.6
107.08585	31.4
109.02872	2.0
109.06502	6.7
109.10140	19.4
111.04440	1.8
111.08060	6.7
117.07024	14.9
119.04925	1.6
119.08568	19.2
121.06522	4.9
121.10123	15.7
123.04430	2.5
123.08054	25.5
123.11704	9.7
125.09633	14.6
127.03967	1.9
129.07013	5.7
131.08568	18.9
133.06505	2.6
133.10115	20.8
133.11053	1.8
135.08069	5.0
135.11670	12.1
137.09636	6.2
139.03859	6.7
142.07906	1.8
143.08588	6.8
145.06512	1.6
145.10114	13.3
147.04402	2.6
147.08034	7.2
147.11665	8.3
149.02338	100.0
149.03426	7.9
149.09619	3.7
149.13231	17.6
150.02681	3.5
151.11174	4.8
153.09143	2.4
155.08560	3.5
157.10146	4.1
159.11685	12.8
161.09633	4.1
161.13271	2.8
163.11223	5.4
165.09143	5.5
167.10741	1.8
169.10152	3.6
169.12253	5.2
171.11707	6.0
173.13208	3.5
175.03909	2.2
175.11214	2.8
177.12772	3.2
179.10612	1.5
181.12210	2.3
183.11725	1.8
185.13290	3.9
187.13304	8.1
187.14822	2.7
187.47896	1.6
189.11107	8.6
193.04945	45.2
193.12242	3.2
194.05380	2.0
195.13847	5.5
197.13257	2.2
199.14795	2.1
201.16458	1.7
219.06509	2.1
223.13335	5.1
225.11266	1.9
227.12764	13.1
243.16113	1.9
245.13725	1.4
249.15004	1.7
255.17493	2.5
259.20483	2.3
261.22198	3.8
267.16022	2.7
269.17444	29.1
269.20120	2.1
273.18488	23.9
275.20160	5.2
277.21609	2.6
291.19516	34.5
297.03653	1.5
299.14877	3.8
308.69156	1.6
313.07077	2.2
314.63208	1.4
315.23227	4.3
335.25870	6.4
341.06598	2.9
347.22208	2.9
359.07608	2.6
365.23151	13.7
385.09097	13.2
386.09473	2.2
407.99963	1.7
439.26932	3.0
449.30356	2.3
467.31531	5.4
479.30045	2.4
485.32489	2.8
513.35974	2.2
531.36560	4.2
541.35248	10.0
559.36230	33.9
577.04218	3.1
577.13391	60.4
577.37732	9.6
578.13708	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	577.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02348	3.0
53.03944	8.9
54.14588	2.8
55.01865	14.0
55.05508	40.5
56.14920	2.9
57.03436	10.4
57.07069	4.5
63.08185	2.9
65.03931	6.9
66.51137	2.8
67.05499	81.6
69.03427	4.4
69.07065	36.2
70.73051	6.2
70.73414	5.7
71.04980	10.3
71.71294	3.4
79.05488	70.2
81.03412	29.2
81.06573	5.0
81.07051	100.0
83.04989	21.4
83.08614	28.9
85.02906	9.4
85.06508	7.1
91.05475	61.1
93.07034	64.5
95.04951	31.8
95.08600	46.5
95.33374	2.9
97.06517	19.9
97.10157	10.4
99.08086	9.2
102.56409	3.2
105.00962	3.3
105.07027	57.4
107.04939	21.6
107.08593	40.8
109.06512	16.7
109.10149	24.4
111.04434	11.1
111.08072	14.1
117.07001	19.7
119.08572	38.0
119.28264	3.0
121.06478	8.8
121.10128	25.7
123.04427	6.7
123.08048	16.7
123.11723	7.5
125.09660	14.4
127.07562	3.6
129.07001	12.7
131.08559	31.2
133.06458	5.8
133.10110	37.8
135.04448	3.9
135.08058	13.0
135.11665	15.0
137.09717	6.8
141.06999	4.8
142.09940	2.9
143.08551	9.9
145.10092	18.8
147.08051	11.2
147.11662	31.9
149.02339	3.3
149.09622	19.4
149.13246	12.3
151.11206	4.6
153.09135	3.5
153.12744	4.6
157.10126	16.5
159.11696	12.9
161.09583	4.7
161.13249	6.2
163.03914	3.1
163.11142	15.4
165.12823	6.9
169.10069	5.1
171.11676	6.2
173.09572	3.2
175.11125	6.7
177.12730	3.5
181.12254	6.3
183.11646	5.7
185.13275	5.5
189.11232	11.1
191.10611	5.0
193.04944	6.5
193.12250	22.6
195.13795	3.7
201.12837	3.4
211.13220	18.6
223.13081	3.4
227.12750	13.9
239.14252	3.0
245.00674	3.0
247.05879	3.7
247.20584	4.7
257.19046	3.8
267.15802	17.8
269.17453	13.3
273.18658	7.1
275.20038	32.4
285.16992	11.3
291.19495	22.4
293.21207	5.9
349.23807	14.5
365.23322	7.2
367.24652	4.1
449.30310	4.2
467.31445	6.8
479.29596	4.3
541.35083	14.7
559.36176	28.8
577.37390	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.3
53.03933	8.5
55.01871	27.0
55.05261	3.2
55.05510	49.9
57.03432	19.2
57.07059	2.8
60.85884	2.0
65.03933	6.6
67.05500	89.3
69.03416	6.9
69.07061	35.9
69.27119	18.0
69.27532	3.6
70.35849	2.1
71.04998	10.5
71.53947	2.2
79.05487	80.6
81.03416	49.2
81.07052	100.0
83.04984	19.9
83.08611	30.0
85.02892	18.2
85.06519	6.4
87.97196	2.3
91.05477	85.5
93.07037	66.5
94.07396	2.1
95.04967	47.7
95.08593	43.9
97.02869	3.4
97.06519	33.7
97.10159	21.8
98.20724	4.5
99.08099	4.0
105.07026	67.7
107.04961	28.6
107.08593	47.2
109.06497	19.6
109.10149	32.4
111.04429	8.0
111.08050	15.6
113.06017	4.9
115.05494	3.7
115.95667	2.0
117.07008	23.5
119.05008	2.5
119.08573	45.3
121.06512	7.5
121.10136	29.0
123.04421	6.9
123.08092	13.3
123.11719	9.4
125.09624	18.3
128.06206	4.2
129.06999	17.4
131.08553	36.0
133.06456	6.9
133.10124	35.0
135.08058	12.5
135.11693	13.9
137.09605	6.0
141.06985	5.9
142.07790	3.0
143.08582	9.2
145.06477	4.5
145.10110	25.9
147.08020	5.1
147.11681	29.8
149.09622	29.5
149.13261	5.8
151.11154	6.4
153.09073	2.7
155.08545	5.8
157.10110	22.3
159.08069	2.2
159.11679	15.3
161.09605	4.3
161.13255	8.3
163.03938	2.9
163.11162	16.1
165.12732	6.9
169.10170	6.0
171.10289	3.2
171.11700	7.6
173.09642	2.2
173.11835	3.1
173.13251	7.9
175.11185	15.5
177.12776	4.6
179.14265	3.4
181.10071	2.1
181.12329	2.3
183.11696	7.2
185.13292	5.7
187.11162	3.8
187.14844	3.3
189.11255	10.1
189.12743	3.1
193.12230	35.5
197.13261	3.9
199.14853	2.7
211.13246	48.9
211.15222	2.6
217.15837	4.3
223.13223	2.3
227.12758	17.4
229.14305	4.0
229.19466	3.9
239.17928	5.9
247.20566	4.9
257.18994	10.9
259.20538	3.2
267.15912	21.7
269.17569	6.7
273.18481	6.5
275.20035	78.5
285.16931	31.7
291.19537	14.5
293.21060	11.6
299.20123	2.5
331.22836	2.3
349.23712	35.1
351.87933	2.1
381.22400	2.2
431.29565	2.7
449.30139	3.9
457.86191	2.3
461.28958	2.1
463.30441	2.5
467.31415	5.3
479.29837	2.3
485.32855	3.8
541.35480	15.8
559.36163	46.1
577.37274	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	577.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01867	2.0
57.03426	1.7
61.02908	1.3
65.03943	0.3
67.05501	0.6
68.55129	0.3
68.99784	1.1
69.03423	9.8
69.64439	0.5
69.64828	2.2
70.62307	0.3
71.01350	0.4
71.04984	0.8
73.02902	1.7
77.03928	0.3
79.05479	0.8
81.03413	8.2
81.07062	0.5
83.01322	0.9
85.02898	12.9
87.00823	4.4
91.03957	0.4
91.05477	4.2
93.07050	0.5
95.04958	2.0
95.08611	0.5
97.02882	4.8
97.06512	0.3
99.04440	3.0
102.04720	0.3
103.03960	0.6
103.05466	6.7
105.01865	3.7
105.03393	0.4
105.07037	1.7
107.04964	0.9
107.08591	0.5
108.97556	0.3
109.02872	7.1
109.06498	1.1
115.05431	2.8
117.01829	1.0
117.06995	0.4
119.04945	3.8
121.06510	1.4
122.07273	0.3
123.04424	22.8
123.08051	2.4
127.03909	13.5
129.01846	0.9
129.03352	0.5
129.05518	0.4
129.06927	0.3
131.04010	0.5
131.04924	6.5
133.06456	1.2
135.04407	1.6
135.08006	0.9
136.05162	0.4
137.02287	0.6
137.05966	5.3
137.09550	0.7
138.06766	1.3
139.03899	0.6
139.07570	0.6
143.04904	3.7
145.04944	4.3
146.03566	0.3
147.04399	70.6
148.05144	0.9
149.05943	2.2
150.06674	0.4
151.07529	3.7
152.06203	0.3
152.08214	0.4
153.05426	0.8
153.07091	0.3
153.09085	2.1
154.06160	0.6
157.06551	0.4
159.02866	4.0
159.04109	0.5
160.05054	0.4
161.05977	11.7
163.03883	1.0
163.07568	0.3
165.06932	0.7
165.09097	2.1
166.06261	0.5
166.09898	0.8
167.07027	1.1
168.07829	2.3
169.08585	1.8
171.03008	0.4
171.04291	0.6
173.05977	0.9
175.07565	0.8
176.08195	0.4
177.05484	0.7
181.08583	20.6
182.09366	0.9
183.10153	11.4
183.11786	0.6
185.06006	0.4
186.06868	0.4
189.03935	0.6
189.05487	5.4
189.07063	0.4
189.08891	0.3
191.06960	0.8
191.08556	1.7
191.10066	0.3
192.07770	0.4
193.08627	0.5
193.10219	0.4
195.08408	0.4
195.10062	1.8
201.05563	0.7
203.07048	0.7
205.06659	0.3
205.08592	0.7
207.08206	0.4
207.10136	1.0
208.08809	0.6
209.09579	1.7
211.07513	1.3
212.08183	0.3
213.03743	0.5
213.05495	0.8
219.08043	1.8
219.10172	1.3
221.09669	0.5
223.07452	0.6
223.11119	1.1
224.08199	0.4
225.09135	1.1
226.09868	0.8
227.06938	0.7
227.10562	0.5
231.04967	2.0
235.07500	0.7
236.08324	1.0
237.09120	4.3
238.09863	1.3
239.07001	1.3
239.10614	0.6
241.08554	0.6
241.12115	0.3
243.10167	0.4
249.08900	0.3
251.10692	2.0
252.11356	0.3
253.08527	1.4
254.09355	3.8
255.06526	0.8
255.10199	2.0
264.07727	0.6
265.08566	3.9
266.09354	1.1
267.06509	0.9
267.10089	0.6
268.10843	0.7
269.11731	3.7
270.12430	0.8
271.09576	0.6
273.07605	0.5
279.10175	1.0
281.08179	1.8
282.08826	2.9
283.09674	2.3
286.11984	0.6
296.10675	0.4
297.11179	7.4
298.12030	1.9
299.09061	3.9
301.14343	1.0
311.12814	0.9
313.10657	0.8
314.11401	3.0
327.12207	0.8
329.13806	100.0
330.14056	0.8
341.13861	0.4
353.13889	0.6
359.07697	0.3
371.15356	0.4
395.09937	0.3
395.14572	0.6
541.15033	0.3
577.20020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1889
Annotation	Antibiotic MM 44785
Peak:m/z	Relative Intensity
68.99789	0.4
69.01848	0.3
71.59598	0.6
73.17830	0.2
81.03418	0.4
85.02876	0.6
91.05480	0.4
111.00782	0.4
111.04443	1.0
121.02907	0.4
121.06481	0.4
123.04429	4.7
127.03907	2.6
135.04404	3.8
139.03886	1.9
147.04463	0.5
149.02327	0.3
151.03914	0.9
153.01822	1.6
163.03897	2.8
164.79802	0.3
173.05959	0.3
177.05414	0.4
179.03444	0.6
189.05536	0.3
191.03401	0.4
192.02940	0.3
194.12506	0.3
195.66316	0.2
198.73491	0.3
201.05481	0.9
203.03432	0.6
229.04985	1.0
245.04353	1.4
247.05965	1.7
257.04465	0.9
259.06223	0.3
271.05945	1.9
283.06183	0.6
287.05426	2.3
289.06952	0.6
299.05588	0.6
301.07220	0.3
353.04926	0.4
379.08148	0.4
407.07718	0.7
409.03857	0.3
409.09241	1.1
425.08575	0.4
487.81567	0.3
517.06293	0.4
577.18896	100.0
578.19122	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.03942	1.7
55.01865	1.9
57.03419	1.6
59.12183	0.4
61.02938	1.1
67.05493	1.4
68.99779	0.7
69.03428	9.2
70.78643	0.4
70.86048	1.0
71.04990	1.0
73.02910	1.7
77.03895	0.6
79.05485	1.2
81.02966	0.8
81.03410	8.6
83.01334	1.0
85.02901	13.0
87.00828	5.5
91.03928	0.7
91.05482	4.8
93.07022	0.7
95.04962	1.4
95.08607	0.6
97.02885	5.4
97.06509	0.5
99.04439	3.7
103.03929	0.5
103.05473	5.7
105.01873	3.7
105.03409	0.6
105.07021	2.1
107.04934	1.0
109.02219	0.6
109.02881	8.1
109.06524	0.8
111.04427	0.6
115.05448	2.1
117.01827	1.5
119.04947	3.8
119.08578	0.5
121.06487	1.3
123.04420	24.2
123.08061	1.4
127.03909	14.1
129.01793	1.2
129.03346	0.6
129.05460	0.8
131.04912	6.9
133.06479	1.5
135.04414	3.1
135.08101	0.6
136.05203	0.6
137.05959	5.0
137.09570	0.6
138.06760	0.9
139.03891	0.9
139.07529	0.7
143.04919	3.4
145.04955	4.1
147.04401	72.9
148.05080	1.5
149.05963	2.5
151.07521	3.9
153.05444	0.8
153.09119	2.0
154.06238	0.6
159.02881	3.9
161.05986	11.2
163.03952	1.9
165.09068	2.4
166.06235	0.5
166.09956	0.7
167.07002	0.9
168.07758	3.0
169.08578	2.1
171.04320	1.1
173.06004	0.7
175.07558	0.8
181.08578	20.6
182.09451	1.0
183.10156	13.2
184.10689	0.4
185.06116	0.5
189.03862	0.8
189.05443	5.4
191.07004	0.6
191.08575	1.5
193.08621	1.2
194.07191	0.5
195.10146	1.4
201.05405	0.5
203.07076	0.9
205.06688	0.8
205.08597	0.8
207.10077	0.8
208.08760	0.8
209.09648	1.1
211.07608	0.8
213.03745	0.6
213.05566	0.8
215.62157	0.5
219.08018	1.7
219.10143	1.5
220.08862	0.7
223.07477	0.9
223.11232	1.1
225.05432	0.5
225.09084	0.9
226.09958	1.1
227.07031	0.9
231.04895	2.6
236.08347	1.7
237.09084	4.0
238.09991	0.8
239.07051	1.2
247.05972	1.0
249.09029	0.5
251.10683	1.7
253.08635	1.2
254.09412	3.9
255.06497	1.4
255.10158	1.7
264.07709	0.7
265.08566	4.5
266.09348	1.2
267.06696	1.2
267.09863	0.6
269.11749	3.2
270.12314	0.7
271.09665	0.5
279.10120	1.5
281.08286	1.1
281.11343	0.5
282.08789	2.6
283.09683	2.3
286.11932	0.7
287.05505	1.0
297.11194	7.4
298.12036	1.4
299.09158	3.3
311.12738	1.4
313.10599	1.0
314.11475	3.5
327.12152	0.7
329.13809	100.0
330.14151	1.0
353.13858	0.7
371.14954	0.9
377.08673	0.5
380.91168	0.5
407.07269	0.5
431.13757	0.7
577.20099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1545
Annotation	Maysin
Peak:m/z	Relative Intensity
55.01850	0.6
56.88216	0.5
57.03386	4.1
61.02910	0.6
67.05482	0.7
68.99759	1.0
69.03362	0.7
69.88464	3.6
71.04989	28.2
73.02877	1.3
82.20403	0.6
82.53892	0.6
83.89469	0.7
85.02900	30.3
85.03414	1.4
87.04422	0.8
91.29220	0.6
98.20741	0.7
98.93825	0.6
111.04385	1.1
114.28509	0.7
121.02803	2.1
121.32803	0.6
123.04374	2.4
127.03849	2.0
129.05470	6.1
135.04364	2.1
137.02298	1.1
139.03845	1.1
140.12025	0.6
143.51683	0.6
145.06461	0.8
147.04378	1.4
147.06500	1.2
148.89218	0.6
151.03772	0.8
153.01830	4.7
161.06006	1.3
163.03836	1.7
164.25165	0.6
165.01773	2.5
167.06976	0.6
175.07526	0.6
179.03377	0.6
185.05963	0.9
188.76567	0.6
213.05435	1.3
215.03482	0.6
217.04843	0.9
245.04457	1.8
247.05966	0.9
258.05240	1.3
265.96912	0.6
271.05893	0.8
287.05478	100.0
288.05881	1.1
299.05359	1.5
327.05084	1.4
329.06503	1.5
377.01559	1.1
379.08276	1.4
383.11270	1.2
397.20346	1.5
407.07492	1.0
415.14063	1.0
427.76016	0.7
431.09717	49.2
432.10168	1.1
435.07745	0.7
577.18921	51.0
578.19293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25601	0.3
53.63497	0.3
65.03939	0.7
67.05512	0.3
68.99785	1.1
69.03413	0.4
71.26900	0.3
71.58978	0.4
79.05550	0.4
81.65105	0.3
85.02894	0.5
89.03912	0.4
93.03382	0.3
95.04958	0.3
95.08667	0.3
105.72422	0.3
107.04973	0.6
109.02888	0.4
111.00825	1.0
111.04456	2.0
121.02862	0.7
121.06567	0.5
123.04413	7.7
127.03907	4.0
135.04408	6.4
137.02338	0.6
137.05984	0.5
139.03882	2.7
147.04440	0.9
149.02245	0.4
149.06038	0.4
151.03908	1.0
153.01852	1.1
163.03903	4.3
173.05998	0.5
177.05484	0.6
179.03416	0.8
186.14693	0.3
187.03967	0.4
191.03453	0.5
192.02902	0.4
201.05420	0.5
203.03415	0.7
229.05081	0.9
245.04443	1.9
247.05992	3.7
257.04517	1.0
259.06021	0.7
261.07681	0.6
263.05481	0.4
271.06052	1.7
275.05508	0.5
283.06021	0.8
287.05478	3.3
289.07089	1.2
295.05960	0.4
299.05640	0.5
301.07117	0.7
339.08765	0.4
355.06345	0.5
373.15549	0.4
379.08286	0.9
407.07367	1.7
409.09045	2.3
415.13580	0.4
425.08557	1.0
431.13550	0.4
434.82800	0.4
449.08517	0.4
541.12250	0.4
553.34735	0.3
577.18890	100.0
578.19312	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1552
Annotation	Cassiaoccidentalin B
Peak:m/z	Relative Intensity
57.03434	4.4
68.99780	0.8
69.59135	2.7
69.59560	1.9
71.04994	31.6
73.02918	0.8
75.04482	0.8
85.02905	31.7
87.04462	0.7
111.00842	1.1
111.04409	0.9
121.02875	2.2
129.05484	7.2
147.04420	0.9
147.06488	1.0
148.11194	6.8
153.01794	3.6
165.01860	1.8
183.02856	1.3
205.07759	0.7
213.05478	2.0
231.06473	0.8
241.04950	1.5
258.05109	0.6
287.05493	100.0
288.05792	1.9
329.06647	0.9
431.09729	49.8
432.09686	0.9
501.46689	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.155
Annotation	Cassiaoccidentalin B
Peak:m/z	Relative Intensity
51.03775	0.6
57.03441	4.1
59.20033	0.5
66.92258	0.5
69.68311	2.1
69.68741	2.2
71.01338	0.8
71.04990	29.8
73.02912	0.8
74.03272	0.5
75.04483	0.9
75.71638	0.6
83.04945	1.4
85.02901	31.7
87.04422	1.2
98.21379	1.1
111.00771	1.0
111.04417	0.9
121.02862	2.7
123.04421	2.2
127.03893	1.6
129.05481	7.7
135.04384	2.6
137.02321	1.2
137.05881	0.7
139.03896	1.1
147.04407	1.5
147.06493	0.9
151.03897	0.8
153.01799	3.3
163.03888	1.9
165.01868	1.9
183.02934	1.5
185.05951	0.7
189.52802	0.6
213.05457	1.5
231.06535	1.1
245.04475	0.8
247.06120	1.1
258.05264	1.1
259.05930	0.7
271.06134	0.7
287.05490	100.0
288.05594	0.6
299.05496	1.2
304.70657	0.5
311.05307	0.6
320.66595	0.7
329.06418	1.7
353.06827	1.0
379.08078	1.6
397.09253	0.8
431.09714	51.7
577.22748	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	575.6123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62374	2.8
55.05511	35.1
57.07074	82.5
57.35204	2.9
67.05505	60.0
69.07063	79.4
70.94634	9.1
71.04990	10.5
71.08628	73.2
72.08982	3.6
79.05480	9.6
81.07061	100.0
82.07396	5.6
83.08620	58.2
83.92494	3.0
85.06566	3.4
85.10182	42.4
91.05451	4.6
93.07035	10.2
94.77873	3.0
95.08606	96.6
96.08943	5.4
97.10170	53.9
105.07092	4.9
107.08595	7.6
108.08916	3.4
109.10145	70.7
111.11726	46.7
123.11700	34.6
125.13256	19.0
137.13283	13.7
139.14810	8.0
151.14847	13.1
153.16476	3.0
165.16428	13.0
176.59006	3.2
179.17996	4.3
207.20984	3.6
233.09787	3.4
302.20483	3.4
314.27707	5.4
325.24652	3.4
332.87473	3.0
357.20767	2.9
361.38248	4.2
432.71521	3.4
481.39182	4.5
482.39218	43.7
483.39551	5.7
496.40634	3.6
540.43097	23.5
557.59863	21.9
558.59528	3.5
575.41022	7.0
575.50684	5.6
575.61194	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	577.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17395	0.7
57.03431	4.3
68.99783	1.1
69.03421	0.9
69.69781	5.8
70.06589	0.9
71.04990	28.8
85.02899	34.0
86.18830	0.8
87.04425	1.2
95.04977	0.9
98.21474	1.5
98.97578	1.0
100.77493	0.8
105.03315	0.9
107.04974	1.1
111.04417	1.8
121.02861	3.4
123.04436	3.8
127.03908	3.1
129.05495	5.4
135.04402	3.0
135.23889	0.8
137.02263	1.0
139.03857	1.6
141.70113	0.9
147.04390	2.0
147.06482	1.4
153.01802	4.6
163.03870	1.8
165.01883	1.5
183.21683	0.7
193.21991	0.8
201.05461	0.9
203.03358	1.3
213.05388	1.9
229.04961	0.9
247.05971	1.5
257.04416	1.4
258.05045	1.7
259.06100	0.9
287.05484	100.0
288.06015	2.0
299.05450	1.1
329.06635	1.4
353.06378	0.9
379.08163	1.6
407.07425	1.0
431.09711	47.3
432.09991	1.2
577.19214	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	575.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.4
55.01865	11.7
55.05505	50.2
56.03011	3.4
57.03428	7.4
57.07061	7.2
65.03919	7.1
67.05502	100.0
69.03439	3.9
69.07071	37.3
71.04984	31.9
71.59891	4.4
79.05488	84.7
81.03408	10.9
81.07048	99.8
83.04976	13.8
83.08614	20.7
85.06568	9.2
91.05472	77.2
93.07034	89.6
95.04972	19.5
95.08599	64.0
97.02896	4.3
97.06548	19.5
97.10167	27.7
99.08106	9.5
105.07030	67.3
107.04910	9.6
107.08581	45.8
109.06509	14.9
109.10166	30.6
111.08061	7.3
115.05459	5.9
117.07024	32.0
119.08569	46.5
121.06546	6.3
121.10149	43.6
123.08086	8.5
123.11727	8.9
125.09636	15.7
128.06186	3.5
129.07005	22.3
131.08557	48.3
133.06474	4.3
133.10098	37.3
135.08083	11.0
135.11664	20.3
137.09586	7.6
141.07014	10.1
143.08549	17.9
144.09299	4.8
145.10120	38.0
147.08026	9.2
147.11673	16.2
149.09604	12.1
149.13333	4.8
151.11201	5.9
155.08533	11.6
157.10141	23.3
159.11678	16.4
161.09650	8.7
161.13272	9.0
163.11171	14.4
169.10130	13.9
171.08029	4.1
171.11652	20.6
173.09695	6.2
173.13257	13.7
175.11176	7.9
175.14796	6.7
181.10272	4.8
181.12204	4.6
183.11703	9.1
185.13272	9.4
187.11189	4.0
187.14886	9.7
189.11191	8.2
191.10594	8.2
193.12190	5.2
195.11694	6.0
197.13300	12.2
199.14828	5.8
207.11818	5.1
209.13341	5.8
227.12779	14.2
257.19113	5.1
267.15927	5.0
275.20117	20.5
285.22079	4.8
291.19559	5.5
292.38474	4.5
299.23615	8.3
304.18814	4.4
320.27457	4.0
421.25720	6.2
433.30722	19.1
445.29419	4.0
451.32129	9.0
469.33176	5.9
515.37408	6.4
517.35199	33.0
525.35754	45.3
531.35712	5.2
543.36761	67.1
557.38098	21.3
575.39612	78.8
587.72974	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	575.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
54.61168	2.3
55.01868	17.7
55.05256	4.4
55.05509	61.2
57.03436	16.8
57.07064	3.1
58.07629	2.3
59.04993	2.9
65.03924	4.5
67.05502	99.5
69.03430	7.9
69.07065	33.8
69.88174	11.2
71.04993	20.1
79.05135	1.9
79.05489	82.7
81.03418	25.4
81.07053	100.0
81.53500	2.6
83.04990	20.3
83.08614	33.9
85.02904	10.7
85.06534	8.5
86.54217	2.5
90.72417	2.6
91.05482	94.0
92.00779	2.5
93.07042	67.9
95.04966	32.8
95.08603	67.6
97.02902	4.3
97.06537	15.6
97.10171	23.3
99.08102	9.9
103.05497	3.7
105.07029	82.7
107.04932	15.9
107.08588	52.2
109.06506	17.1
109.10155	34.1
111.04486	4.7
111.08074	11.6
115.05452	4.6
117.07034	35.5
119.08572	44.9
121.06522	13.0
121.10126	31.3
123.08085	12.0
123.11723	8.8
125.09618	22.9
128.06226	7.0
129.06985	27.7
131.08563	51.7
133.06494	6.3
133.10127	44.3
135.08028	18.5
135.11711	16.3
137.09607	7.7
139.11171	3.7
141.07010	9.2
142.07750	3.0
143.08568	22.5
145.06497	6.0
145.10107	39.3
147.08035	9.5
147.11679	22.9
149.09624	12.2
149.13237	5.7
151.11148	9.8
153.12717	2.9
155.08588	14.6
157.10118	33.8
159.08028	6.8
159.11703	30.1
161.09613	8.8
161.13310	8.1
163.11153	9.3
165.12640	3.6
167.08565	7.7
169.10138	17.0
169.12299	3.8
171.11696	18.9
173.09712	6.4
173.11908	3.7
173.13226	16.8
175.11186	13.7
175.14754	3.1
177.09081	3.4
177.12753	3.6
181.10120	8.0
183.11681	10.6
185.13258	17.3
187.11243	7.7
187.14819	6.1
189.11244	10.3
189.12782	3.6
193.10397	3.7
193.12241	15.1
195.11697	10.8
197.13199	9.7
199.14821	7.0
201.12744	5.4
207.11699	3.5
209.13240	6.0
210.32697	2.9
211.13118	16.3
211.14575	4.2
211.14978	5.8
211.16496	2.9
213.12776	3.0
213.16389	3.7
221.13338	3.6
223.15063	4.2
225.16357	3.4
227.12640	14.3
231.21269	2.9
237.16360	3.7
245.19182	4.1
247.16940	3.9
253.14340	7.9
267.15732	12.8
273.18591	19.1
275.20111	6.1
285.22043	6.2
287.20007	4.8
289.18222	3.6
291.19547	27.3
297.22220	2.8
299.23746	11.0
305.57614	2.7
313.21466	4.4
331.22711	3.2
339.23123	3.1
347.22330	5.5
357.24127	3.5
365.23422	4.9
415.29846	7.4
421.25626	8.7
433.30972	15.5
451.32144	15.6
469.33075	6.6
499.34085	8.8
507.34518	6.4
517.35156	21.8
525.35748	47.5
543.36847	48.2
557.38739	17.7
575.38214	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30848	0.4
59.28215	0.5
61.42200	0.5
65.98917	0.5
68.35149	0.4
69.03432	0.5
69.52029	2.9
69.52448	1.4
73.96698	0.4
85.02901	0.8
98.20754	0.7
130.06577	1.0
137.02409	0.5
144.08070	1.1
146.05940	1.2
159.04219	0.7
188.07036	0.8
189.05411	0.5
382.14224	0.5
392.95453	1.4
395.23306	0.5
396.98779	1.4
397.12564	0.7
401.99332	0.8
412.14893	1.1
413.15720	5.8
413.24826	0.8
431.09894	0.6
446.69632	0.5
575.20978	100.0
576.21582	1.3
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
53.03940	7.4
55.01871	18.5
55.05257	4.9
55.05510	53.8
57.03442	12.1
57.07071	3.3
59.04987	3.7
65.03935	5.0
67.05505	83.8
69.03439	14.0
69.07069	46.5
70.85335	5.2
70.85701	4.8
71.01363	3.1
71.04996	9.2
79.05493	82.2
79.05960	4.2
81.03421	49.8
81.07059	83.9
83.04991	18.2
83.08620	40.4
85.02911	15.3
85.06551	5.4
90.77488	2.1
91.05482	69.6
93.07044	56.5
94.02036	2.3
95.01320	3.2
95.04974	35.1
95.08610	39.0
97.02917	11.4
97.06523	16.2
97.10171	33.2
105.07027	52.9
105.30400	2.2
107.04956	26.8
107.08601	41.8
109.06519	17.8
109.10162	19.0
111.04441	3.5
111.08089	9.2
113.06022	3.1
115.05473	5.5
117.07010	21.4
119.04967	3.1
119.08580	44.9
121.06533	9.2
121.10136	28.0
123.08066	14.1
123.11731	9.8
125.09628	20.9
126.31776	2.6
128.06203	4.6
129.06995	19.5
131.08572	30.0
132.50142	2.3
133.06528	7.1
133.10127	25.9
135.08076	10.0
135.11681	12.0
137.09631	4.1
139.11243	2.6
141.06967	4.7
142.07765	4.3
143.08578	7.7
145.06476	2.7
145.10130	22.7
147.08035	13.5
147.11661	26.3
147.12566	2.2
149.09558	13.6
149.13254	5.6
151.11198	3.8
153.09132	4.9
153.12697	2.4
155.08566	4.8
157.10088	13.0
159.11725	11.8
161.09636	8.1
161.13292	5.0
163.11197	12.0
165.09142	3.1
165.12839	7.5
169.10184	4.1
169.12270	2.7
171.10197	2.7
171.11737	5.4
172.11888	2.3
173.09618	3.7
173.13313	6.3
175.11153	13.3
177.12778	4.5
183.11713	4.4
185.13295	4.3
187.11217	3.5
189.11266	18.1
189.12764	4.8
193.12248	35.3
195.11885	2.2
201.12807	2.6
205.12282	3.7
211.13245	33.5
219.13821	9.4
223.13312	14.6
227.12770	19.4
245.19023	2.9
255.17313	2.9
267.15939	25.6
273.18497	34.7
275.20093	17.7
283.15414	7.8
285.17041	8.2
291.19550	100.0
297.18521	3.0
313.21704	4.5
343.31284	2.6
347.22354	7.8
349.23685	5.0
365.23270	6.7
389.23807	2.4
465.30289	6.7
477.28107	4.7
483.31052	4.1
539.33698	4.1
557.34680	44.3
575.35846	80.5
576.35907	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	573.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	14.2
55.01858	12.5
55.05504	45.7
57.03437	15.5
57.07060	6.7
58.80386	3.0
65.03912	10.5
67.05497	100.0
69.03436	5.7
69.07054	34.6
71.04972	6.3
71.08619	4.3
71.59582	3.7
71.59978	5.0
79.05488	96.1
81.03407	33.4
81.07047	91.6
83.04974	19.3
83.08597	14.5
85.02890	10.5
85.06512	3.8
91.05471	83.5
93.06472	6.9
93.07038	98.9
95.04967	35.4
95.08598	64.4
96.43529	3.0
97.06519	19.4
97.10145	8.8
97.49268	3.2
98.96549	3.4
103.05464	4.1
105.06367	5.5
105.07024	62.2
107.04942	14.0
107.08589	50.5
109.06507	12.1
109.10128	26.0
111.08055	5.5
113.06032	3.2
117.06979	22.7
119.08572	41.5
121.06456	6.4
121.10125	32.5
123.08051	8.7
123.11679	6.3
125.09634	5.7
129.06989	15.8
131.08549	29.5
133.10132	33.7
135.08041	5.9
135.11670	21.8
137.09578	8.1
143.08554	10.2
145.10136	18.0
147.11676	38.9
149.09628	13.1
149.13231	8.9
157.10127	8.4
159.11646	10.6
161.09610	4.2
161.13251	11.1
163.11194	9.8
171.11678	14.1
173.13248	9.5
175.14848	6.0
183.11624	3.6
185.13239	4.9
189.12746	7.6
193.12138	3.3
201.12697	4.3
207.13789	11.6
221.15320	46.2
227.12732	6.2
239.16287	26.7
257.18909	4.7
261.21973	5.1
275.20044	69.0
281.17395	31.7
293.21170	5.0
295.19006	6.1
349.23633	17.2
405.56076	4.2
555.36450	30.1
573.41779	63.7
573.50281	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	573.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.01868	46.2
55.05506	18.2
57.03434	6.8
57.07062	1.6
64.89638	1.2
65.03925	2.9
67.05501	51.6
69.03416	1.9
69.07059	24.2
69.50076	1.4
70.19799	4.3
71.04995	3.4
79.05489	53.0
81.03406	7.2
81.07053	53.9
83.04971	12.6
83.08604	6.5
85.06574	1.9
91.05473	56.9
92.57010	1.2
93.07040	48.7
95.01344	4.8
95.04963	19.3
95.08601	34.8
97.06526	75.2
97.10163	4.7
99.08117	2.4
103.05495	2.0
105.04524	2.2
105.07023	60.4
107.04954	21.4
107.08581	20.1
109.06518	5.1
109.10143	9.5
111.08117	1.3
113.09665	1.4
115.05397	2.1
117.07010	14.5
119.08571	35.9
121.06477	7.0
121.10120	8.1
123.04383	1.8
123.08076	4.8
123.11691	2.6
123.13473	1.4
125.09625	2.8
128.06276	1.6
129.06989	10.5
131.08559	18.1
133.06563	1.5
133.10126	25.6
135.08040	4.1
135.11690	6.9
137.09656	5.9
139.07516	3.5
139.11105	1.4
141.07039	2.9
143.08533	5.8
145.06496	2.2
145.10117	13.4
147.08041	1.8
147.11681	27.8
147.12787	2.6
149.09608	13.2
149.13242	2.0
151.11166	2.7
155.08554	1.8
157.10123	3.1
159.11691	9.5
161.09630	2.7
161.13269	10.9
163.11169	11.5
165.09138	3.3
165.12981	1.5
169.10068	2.3
171.11658	14.8
173.09659	1.6
173.13272	6.4
175.11209	1.9
177.12804	4.1
179.14316	11.6
183.11678	2.7
187.11188	2.9
187.14853	2.2
189.12732	6.1
197.13281	3.6
207.13818	9.6
223.13303	1.6
227.13000	1.5
229.19537	3.0
239.17967	3.2
247.20598	5.7
257.19043	7.5
275.20050	100.0
279.15948	1.9
281.17456	35.5
291.19562	1.7
293.21100	9.1
349.23685	22.9
377.23065	2.0
555.36725	48.1
573.36981	3.2
573.48920	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	573.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.5
53.03940	8.4
55.01877	14.2
55.05512	42.8
57.03435	9.6
57.07069	2.9
63.86100	1.5
65.03925	4.2
67.05504	82.0
69.03417	2.8
69.06722	2.2
69.07067	28.4
71.04987	7.4
73.06540	3.8
77.03883	2.4
79.05492	100.0
81.03429	11.9
81.07055	71.5
83.04984	22.1
83.08620	24.4
85.02888	3.5
85.06535	5.5
87.60235	1.6
91.05478	81.7
93.07041	77.0
95.04964	59.6
95.08044	2.9
95.08606	41.6
97.06515	12.5
97.10164	10.9
98.20721	3.6
99.04451	6.0
99.08122	3.3
103.05455	3.8
105.04486	3.3
105.07031	57.4
107.04966	17.0
107.08591	43.6
107.74317	1.6
109.06506	12.6
109.10142	13.8
111.04462	9.7
111.08064	5.9
113.09631	1.7
115.05418	3.7
117.07014	18.1
119.07787	2.5
119.08575	36.0
121.06494	8.0
121.09307	2.2
121.10136	19.9
123.08050	10.3
123.11668	3.9
125.05977	1.5
125.09636	10.7
128.06213	4.5
129.06999	18.2
130.07738	1.8
131.08543	18.2
133.06433	3.3
133.10139	27.4
135.08043	5.5
135.11684	7.9
137.09592	3.1
141.06879	1.9
143.08528	12.8
145.06474	2.7
145.10114	26.3
147.08058	5.3
147.11688	34.1
149.09624	21.9
149.13237	2.8
151.11166	4.1
153.12740	2.2
155.08580	2.8
157.10089	6.4
158.07243	1.8
159.11734	10.5
161.09625	5.3
161.13313	13.4
163.11189	23.5
165.12738	3.2
169.10129	3.0
171.11676	24.3
173.09686	2.4
173.13202	3.8
175.11247	3.0
177.12750	2.1
179.14250	2.5
182.75551	1.8
183.11676	4.8
185.13206	1.8
187.11169	2.5
187.14778	1.6
189.11180	7.0
189.12741	9.0
193.12195	2.8
205.12257	4.7
207.13818	17.9
211.14999	1.6
215.18192	1.6
223.13298	31.5
225.14748	3.2
227.12804	4.2
239.17955	3.7
247.20651	2.6
257.18924	8.4
275.20050	66.5
281.17487	18.2
291.19632	1.9
293.21167	16.3
331.22546	3.5
349.23740	17.8
445.29968	1.9
475.30603	3.1
481.33066	1.8
541.34906	2.8
555.36884	19.3
573.37927	49.3
585.54572	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.3
55.01867	19.1
55.05506	35.6
57.03428	9.1
57.07078	2.4
65.03923	4.9
67.05498	84.9
69.03415	4.5
69.06716	2.2
69.07064	25.6
69.51983	14.0
71.04993	4.4
73.06509	1.6
79.05486	100.0
81.03419	12.1
81.07049	92.3
83.04979	18.7
83.08620	14.3
85.06532	4.2
91.04890	2.7
91.05474	82.3
93.07037	82.9
95.04963	30.1
95.08605	45.5
97.06521	30.0
97.10141	10.6
99.08073	2.8
103.05445	3.8
105.07023	78.3
107.04956	22.0
107.08580	36.9
109.06519	16.2
109.10152	16.9
111.08078	6.0
115.05439	3.9
115.06758	1.5
117.07011	22.7
119.08575	52.1
121.06484	5.9
121.10129	19.7
123.08065	9.2
123.11710	6.8
125.09619	7.3
128.06258	4.1
129.06998	21.0
130.07800	1.9
131.08560	20.9
133.06441	3.5
133.10127	34.3
135.08055	6.3
135.11688	9.2
137.09608	2.5
141.06950	2.5
143.08540	14.4
145.06482	2.6
145.10114	24.2
147.08006	4.5
147.11674	49.6
149.09595	17.7
149.13223	4.7
151.11118	4.9
155.08539	5.2
157.10101	6.2
159.08083	2.0
159.11696	13.3
161.09613	4.7
161.13246	15.3
161.15202	1.7
163.11230	11.6
165.12743	4.5
167.08565	1.8
169.10106	4.6
171.11681	27.0
173.11832	2.7
173.13252	7.1
175.11131	2.9
177.12766	3.2
179.14333	4.2
181.53564	1.5
183.11639	3.8
185.13301	3.6
187.11108	2.3
187.14743	1.7
189.11168	3.9
189.12746	12.2
193.12268	1.9
197.13174	4.4
199.14738	1.6
201.16263	2.4
205.12280	1.7
207.13777	23.6
207.15691	2.2
208.14127	1.8
225.14784	2.3
227.12730	14.0
229.19455	4.7
239.17969	4.0
247.20572	6.9
257.18970	12.9
265.21518	1.8
267.15979	4.2
275.20041	86.4
276.20493	1.7
281.17429	47.0
291.19617	2.1
293.20947	7.9
331.22623	2.6
349.23685	30.6
377.23312	3.2
451.26868	1.7
459.30875	3.5
475.30774	4.9
555.36835	30.9
556.36694	2.5
573.37878	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.3
53.03941	7.6
55.01865	23.8
55.05505	40.7
57.03423	6.3
57.07056	2.1
63.61493	1.7
65.03949	2.1
67.05499	82.4
69.03418	5.2
69.07058	29.1
71.04983	6.1
71.50916	1.7
71.60231	3.4
77.03907	1.9
79.05484	100.0
81.03414	13.7
81.07049	84.4
83.04967	19.2
83.08607	12.4
85.02859	2.2
85.06532	5.8
91.05473	83.7
93.07035	84.5
95.04962	31.3
95.08602	44.7
97.02920	2.3
97.06518	29.7
97.10168	12.6
99.04478	2.4
103.05457	2.6
105.04499	2.8
105.07024	77.0
107.04940	24.4
107.08583	45.2
109.06512	15.0
109.10114	13.2
110.75443	1.7
111.08067	5.6
115.05441	4.5
117.06990	21.7
119.08563	48.5
121.06509	9.0
121.10125	18.4
123.08053	8.9
123.11700	6.2
125.05976	3.3
125.09658	11.5
128.06200	3.6
129.06990	17.8
131.08549	24.1
133.06456	4.3
133.10118	31.1
135.08051	7.3
135.11658	12.8
136.11072	1.7
137.09573	3.2
141.06989	3.1
142.07671	2.3
143.08565	14.2
145.06413	3.0
145.10115	29.6
147.08006	4.0
147.11682	38.2
149.09596	27.2
149.13242	4.0
151.11043	2.5
153.09206	2.4
155.08652	3.9
157.10155	8.6
159.11661	12.8
161.09631	6.5
161.13232	14.3
163.11154	14.5
163.14871	2.4
165.12741	3.7
169.10124	5.9
171.11678	24.2
173.09595	2.8
173.13246	6.8
175.11151	2.2
177.12735	3.2
179.14331	3.7
183.11699	4.4
185.13243	2.6
187.14778	3.1
189.11180	5.4
189.12772	8.3
197.13319	2.4
199.14700	2.5
204.85603	1.8
207.13765	17.7
225.14755	3.0
227.12752	23.1
229.19482	4.8
239.17982	2.3
247.20500	4.5
257.18997	6.9
267.15897	3.5
273.18530	8.8
275.20056	74.0
280.93439	2.2
281.17407	30.0
286.01407	2.5
291.19461	7.9
293.21115	8.6
347.21976	2.5
349.23743	27.7
377.23074	3.4
389.27304	2.3
451.27005	2.7
459.30835	3.5
475.30331	4.5
506.09753	2.1
537.35895	3.2
555.36786	33.4
556.37708	2.8
573.37225	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	573.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	2.0
51.78750	1.2
53.03944	7.3
55.01869	5.0
55.05260	2.2
55.05511	26.8
57.03424	4.0
57.03669	1.0
57.07080	1.7
65.03927	4.3
65.93424	1.0
67.05504	63.1
69.03417	1.9
69.07064	25.2
71.04992	6.1
75.71180	1.0
77.03911	1.6
79.05493	81.3
81.03414	6.7
81.07056	100.0
83.04992	12.2
83.08612	13.8
85.06538	4.0
91.05480	62.8
93.07041	58.6
95.04968	24.8
95.08604	42.1
97.06531	8.3
97.10157	2.7
98.20742	3.3
99.08115	1.6
103.05474	1.9
105.04493	1.6
105.07032	56.2
107.04960	12.1
107.08589	26.5
109.06522	20.8
109.10165	11.5
111.08071	5.5
115.05466	1.7
117.07005	12.5
119.08577	37.4
121.06496	6.2
121.10130	15.1
123.04460	1.6
123.08086	10.3
123.11714	8.0
125.09672	1.4
127.07528	1.9
128.06221	2.3
129.06995	14.1
130.07828	1.4
131.08549	11.8
133.06499	2.6
133.10146	16.1
135.08073	3.8
135.11684	6.8
137.09607	2.9
139.07611	1.4
139.11096	1.2
141.06993	1.8
141.09052	1.3
142.07809	1.1
143.08549	7.3
145.10117	15.1
147.08026	2.6
147.11682	39.0
149.09586	7.6
149.13251	5.9
151.11070	1.3
155.08586	2.2
156.09280	1.1
157.10147	4.7
159.08073	1.2
159.11717	6.8
161.09624	5.6
161.13263	11.1
163.11183	8.1
163.14792	3.4
165.12761	8.3
169.10201	1.9
171.11674	23.6
173.13290	1.7
175.11165	3.7
177.12790	1.7
183.11714	2.9
183.13771	1.3
185.11819	1.1
185.13266	2.4
187.14885	1.7
189.12714	7.9
193.12215	2.2
197.13286	2.1
201.12917	1.5
207.13806	18.0
218.34367	1.0
227.12764	2.0
229.19542	3.2
239.17934	2.2
247.20663	4.7
257.18979	5.9
264.40396	1.1
267.13290	1.3
267.16003	3.9
275.20056	55.4
281.17447	22.8
293.21124	7.9
327.23148	1.9
349.23691	17.4
435.75919	1.2
481.33194	1.4
555.36841	26.1
573.37848	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.6
53.13660	1.2
55.01869	10.6
55.05263	1.8
55.05509	31.2
57.03439	7.8
57.07070	3.2
65.03928	6.0
67.05502	89.9
69.03411	5.1
69.07069	20.3
70.06590	1.7
71.04970	5.1
73.06559	1.3
77.03899	2.3
79.05490	100.0
81.03419	13.8
81.07054	97.7
83.04980	22.6
83.08624	15.5
83.92650	1.4
85.06528	6.1
87.04443	1.6
87.17167	1.4
91.05479	96.7
93.07043	85.1
95.01328	1.5
95.04362	2.2
95.04964	36.9
95.08605	47.2
97.02896	2.1
97.06529	8.7
97.10148	5.7
99.04449	2.7
99.08066	1.7
103.05465	5.0
105.03404	1.7
105.04533	3.4
105.07027	79.8
105.25274	1.2
107.04948	19.0
107.08589	35.4
109.02869	2.1
109.06519	15.8
109.10149	21.3
111.04422	3.3
111.08070	7.3
115.05431	6.1
116.06252	2.3
117.07008	24.9
119.08570	41.8
121.06511	15.0
121.10126	17.7
123.04424	1.6
123.08075	8.4
123.11700	2.6
125.05988	2.6
125.09576	2.3
127.07519	2.3
128.06206	6.9
129.06998	23.9
131.04813	1.4
131.08575	31.8
133.06494	11.3
133.10123	37.6
135.08054	15.4
135.11699	8.5
135.12555	1.4
137.09610	5.2
139.07545	2.6
141.06993	4.3
142.07753	2.7
142.66704	1.6
143.08540	15.6
145.06476	3.7
145.10115	24.9
147.08032	9.9
147.11687	31.9
149.05997	4.2
149.09639	21.5
149.13266	2.6
151.11183	12.6
155.08553	2.6
156.09334	1.7
157.06506	1.5
157.10106	13.2
159.08058	6.3
159.11700	13.8
161.09621	15.2
161.13223	15.0
163.07625	1.4
163.11182	5.0
165.09067	2.4
167.08556	2.0
169.10164	6.4
169.12253	2.6
171.08037	2.5
171.11697	28.4
173.09656	3.9
173.13281	4.8
175.11229	8.4
175.12486	1.3
175.14714	1.5
177.09052	6.3
177.12701	3.3
179.10635	2.6
181.10121	1.9
183.11769	3.0
185.13217	3.9
187.11137	4.8
187.14854	2.3
189.12720	10.8
191.14340	1.3
195.11710	3.1
197.13309	1.6
199.11224	3.4
199.14828	2.5
201.12762	1.7
202.62473	1.4
203.14267	2.3
203.18047	2.1
205.12210	2.3
207.13805	16.8
213.11218	4.8
213.12994	1.7
213.16441	1.5
215.12680	1.5
223.13205	2.4
225.14867	2.6
227.17851	3.4
235.16890	1.5
237.16391	2.5
245.19025	10.1
251.12704	8.4
253.14333	5.7
255.17461	7.1
256.26474	1.8
263.20056	7.2
269.13779	1.8
271.41940	1.6
273.18463	53.5
275.20044	2.5
275.96509	1.5
281.17456	18.6
283.20468	2.3
285.22003	7.8
291.19522	48.4
297.07483	1.4
301.21671	3.0
309.20599	6.3
329.21085	3.6
341.10468	2.2
342.10446	2.1
347.22168	17.0
359.25903	2.4
365.23270	6.3
433.31119	2.1
442.27185	1.4
443.29349	2.3
459.27628	2.4
461.30469	2.3
475.26807	2.6
479.31525	1.9
497.32431	1.8
514.65570	1.4
518.15161	1.3
553.35016	17.1
571.36157	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.5
55.01868	11.8
55.05509	23.4
57.03144	2.1
57.03432	28.8
57.07058	2.2
65.03925	6.5
67.05500	84.7
69.03423	4.4
69.07063	12.9
71.04980	4.8
71.08623	1.9
79.05490	79.2
81.03415	11.8
81.07053	61.2
83.04981	9.6
83.08630	10.8
85.06532	23.5
87.90286	1.6
91.05476	70.2
93.06463	3.1
93.07039	63.2
95.04964	77.9
95.08600	29.8
95.79378	1.5
97.06516	10.7
97.10155	4.7
98.21542	3.1
99.08079	3.1
103.05441	3.1
105.04489	2.9
105.07027	53.4
107.04946	17.6
107.08593	29.0
109.06511	73.5
109.10139	6.5
111.08068	4.6
113.06001	48.3
115.05460	4.8
117.07013	22.5
119.08569	30.7
121.06485	13.3
121.10122	8.4
123.08056	9.4
128.06177	8.2
129.07001	21.5
131.08563	25.3
133.06485	7.4
133.10110	19.9
135.08049	49.8
135.11673	10.3
136.54611	1.7
137.09595	3.3
141.06950	3.1
143.08537	16.6
145.06453	3.7
145.10106	21.4
147.08055	8.5
147.11681	26.4
149.09557	7.4
149.13171	3.9
153.06941	1.7
155.08543	3.5
156.09357	2.1
157.06566	2.5
157.10107	11.1
159.08028	6.4
159.11705	10.2
161.09599	16.8
161.13239	10.8
163.11215	7.6
165.09091	2.1
169.10138	3.7
171.11682	23.1
173.09663	3.8
173.13263	3.5
175.11203	3.2
177.09067	1.8
177.12735	4.7
179.14395	2.0
181.10098	2.7
183.11763	3.2
185.09564	2.6
185.13306	3.1
187.11133	2.8
189.12717	6.6
195.11729	2.7
195.13791	2.9
197.13277	2.7
199.14764	3.5
201.12732	3.2
205.12311	2.1
207.13763	10.4
217.15865	17.5
225.14807	2.5
227.17812	2.3
229.62123	1.8
233.15424	2.5
237.16324	3.6
245.19057	3.7
255.17407	5.6
273.18460	55.8
275.20157	3.5
279.15848	5.1
281.17413	16.2
291.19525	100.0
309.20688	2.1
329.21091	2.6
347.22122	11.6
365.23160	3.1
400.82086	1.7
461.30823	2.5
553.35675	8.7
565.91467	1.9
571.36383	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58426	0.5
50.98547	0.4
53.03939	0.6
55.05497	0.9
57.03413	1.0
61.02914	0.5
62.36583	0.5
67.01850	1.5
67.05468	1.0
68.99753	1.0
69.03416	1.7
69.64368	3.4
71.48219	0.5
72.08134	2.0
74.14464	0.5
79.01854	3.3
79.05501	0.8
81.03414	6.9
81.07037	0.7
85.02914	3.7
91.05493	0.9
93.07069	0.6
95.04982	0.8
97.02891	6.0
99.04363	0.5
103.05466	1.2
105.07006	1.1
107.01295	1.8
109.02872	4.7
123.04471	0.5
125.02341	4.1
127.03906	4.7
129.01837	0.6
131.04906	4.2
143.03387	6.6
145.04941	0.9
147.04393	1.0
151.03908	1.0
153.01816	100.0
171.02875	24.6
173.05946	0.6
183.02878	0.9
191.03419	1.1
192.61487	0.6
195.02872	8.1
219.02896	0.8
233.04626	0.6
255.05017	0.6
257.08066	20.9
261.04007	1.7
281.08127	2.2
297.06030	6.5
299.09061	5.3
315.07101	3.1
323.09134	1.8
347.09195	1.7
365.10080	3.2
401.12262	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2023
Annotation	Pyrolaside A
Peak:m/z	Relative Intensity
53.03950	0.7
55.01867	0.7
57.03425	2.5
60.34886	0.5
69.03432	3.0
70.06584	0.7
71.32880	0.6
71.33199	0.8
72.08129	0.6
72.29595	0.4
75.04469	0.7
76.88766	0.6
79.01855	3.3
79.05491	1.3
81.03418	5.5
85.02902	5.2
91.05476	1.4
93.07055	0.6
97.02884	3.5
99.04483	0.5
103.05448	1.1
105.07022	6.3
107.01307	2.2
109.02878	4.6
111.04469	0.9
116.36841	0.5
121.06485	0.6
123.04428	0.7
124.05186	0.6
125.02333	4.1
127.03916	7.7
133.06493	11.7
137.05977	25.6
138.06261	0.7
143.03386	5.6
145.04955	0.8
147.04417	1.0
151.07565	0.9
153.01830	100.0
154.02168	1.2
161.06001	1.1
163.07594	1.2
165.09113	7.8
167.07083	0.7
171.02895	10.2
175.07521	1.1
181.08609	0.5
183.10150	6.0
189.09143	0.6
194.97108	0.5
200.22362	0.5
221.11684	1.2
227.05470	5.9
239.12691	0.6
257.13828	10.4
279.04977	0.9
297.06006	4.0
315.07080	11.7
317.15485	0.6
347.14838	0.8
553.94275	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	4.0
69.51953	8.9
79.05474	2.7
85.02889	7.1
91.05490	3.4
93.07030	3.0
95.04974	1.6
97.02882	1.5
97.13212	1.2
99.04437	1.3
103.05462	3.4
104.61359	1.1
105.07010	2.6
107.04942	6.7
113.24579	1.2
117.06992	2.2
119.04913	1.6
121.06490	4.6
123.04382	2.0
125.03146	1.1
126.50372	1.1
129.06989	5.1
131.04951	2.9
131.08575	1.9
135.07988	1.8
137.05978	5.2
144.24013	1.1
145.06509	3.0
151.03951	1.5
151.07503	6.4
153.05432	3.4
157.06459	7.2
159.08031	1.6
161.05940	8.4
161.09578	3.0
163.07539	5.4
165.09047	2.8
166.06236	2.4
167.07034	29.1
167.08420	2.8
171.08064	1.3
174.06747	7.7
175.07504	4.7
177.09126	4.2
179.08510	1.2
180.08632	1.4
181.08589	30.0
182.07220	1.8
187.07460	1.5
189.09096	26.4
191.06975	1.9
193.06602	1.5
195.08119	2.1
197.09668	1.4
201.09047	1.9
207.08209	1.7
207.10144	4.2
210.06735	1.6
219.08109	2.7
219.10139	23.5
223.07558	2.0
225.09161	6.3
240.07704	1.9
251.10666	2.0
253.08609	3.0
257.11728	5.2
271.13184	1.5
279.10107	2.1
283.09589	4.0
283.12991	1.7
285.11246	8.9
297.11099	1.6
299.12537	1.8
311.12677	3.7
315.12195	7.9
317.13757	9.3
329.13806	1.4
331.15375	2.9
341.13257	1.2
343.15341	15.6
361.16434	100.0
362.16284	1.4
373.16287	1.6
374.98032	3.6
391.68155	1.2
392.99118	2.1
517.33734	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91008	0.3
54.16987	0.3
55.05505	0.6
61.00100	0.3
65.62867	0.3
67.05496	1.3
79.05483	0.9
81.03389	0.8
81.07056	1.7
83.01093	0.4
83.08620	0.3
85.02902	0.4
90.95634	0.3
91.05469	0.9
93.07063	1.0
95.04936	0.7
95.08595	0.5
96.59201	0.3
105.07043	0.6
107.08601	0.5
109.02871	0.6
119.08623	0.4
121.02816	0.3
121.33614	0.3
131.04926	0.5
131.08522	0.5
143.08559	0.3
157.10065	0.3
161.05960	0.5
173.05930	0.4
185.04236	1.2
185.05862	0.3
201.03583	0.5
203.05280	1.2
252.48650	0.3
259.07959	1.4
267.39212	0.4
273.14932	0.5
301.14261	0.5
331.10083	2.1
333.19714	0.5
338.63742	0.3
387.16135	0.9
407.23999	1.5
427.18860	0.4
441.20926	3.1
443.22665	0.6
457.20544	0.7
471.22079	4.5
499.21472	0.9
551.30176	0.3
569.29297	100.0
570.29565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53641	1.4
51.02375	1.7
53.03947	9.7
55.01876	7.9
55.05262	2.2
55.05511	35.9
57.03436	32.2
65.03935	7.6
67.05500	84.7
68.05836	1.4
69.03425	4.2
69.07070	17.6
70.03560	1.3
71.04967	4.8
73.64189	1.4
77.03930	1.6
79.05492	100.0
81.03416	13.0
81.07056	69.0
83.04475	2.1
83.04980	44.5
83.08613	10.5
85.06555	7.9
91.05476	98.3
93.07040	70.2
95.04968	33.5
95.08040	2.9
95.08604	37.8
97.06535	9.8
97.10162	2.8
98.20684	2.4
99.04441	4.7
103.05456	4.5
105.04493	3.6
105.07026	71.1
105.77158	1.4
107.04952	57.7
107.08588	26.7
108.05750	3.0
109.06516	20.2
109.10144	9.5
111.04435	18.3
111.08059	3.2
113.06011	5.3
115.05492	6.7
116.06207	1.6
117.07009	25.2
117.88283	1.4
119.04957	3.0
119.08581	36.4
121.06526	10.1
121.10128	8.9
123.04414	3.9
123.08083	10.4
123.11673	2.3
125.05980	5.9
128.06200	8.0
129.07007	26.3
130.07745	2.1
131.08568	23.8
132.05714	1.4
133.06517	10.9
133.10132	21.5
135.08052	12.5
135.11684	5.6
137.06012	2.7
137.09663	3.4
139.07559	2.1
141.06984	6.4
142.07750	1.5
143.08563	21.7
145.06458	9.0
145.10120	23.2
147.08057	13.2
147.11678	30.5
149.05960	3.1
149.09648	5.3
149.13254	3.5
151.07579	3.9
153.07114	1.9
153.09155	2.0
155.08557	11.2
157.06456	3.6
157.10115	8.7
159.08051	18.0
159.11740	8.6
161.06012	1.8
161.09619	16.2
161.13216	13.0
163.07584	6.6
163.11182	9.1
165.09132	2.0
167.08551	3.4
169.10124	9.9
171.08003	3.1
171.11697	32.5
173.09625	10.0
173.13284	2.6
175.11191	3.4
177.09103	3.4
177.12729	7.3
178.13475	2.6
179.08559	1.7
179.14320	4.2
181.10027	2.5
182.10846	1.7
183.11716	4.9
185.09593	4.1
185.13306	3.1
185.23003	1.3
187.11172	4.5
187.14732	6.8
189.09154	1.7
189.12740	13.1
195.08069	1.8
195.11732	3.1
197.09651	2.3
197.13264	5.6
199.11212	3.1
201.09091	3.0
205.12117	1.9
205.15857	10.1
207.13751	16.4
215.14262	10.2
215.17828	1.4
217.12219	2.1
225.14702	2.8
225.16600	2.5
229.15800	1.7
229.85806	1.6
233.15366	25.6
235.14734	3.2
243.17413	9.7
253.15991	6.8
261.18567	14.1
271.16956	26.0
279.15707	1.7
281.17566	4.7
289.17972	54.8
307.19031	2.8
314.40042	1.7
333.15167	2.8
345.20654	3.6
363.21802	3.6
431.30350	1.9
471.34430	2.8
477.29413	1.9
551.33594	5.0
569.34637	61.1
570.35034	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	569.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13887	0.2
67.05494	0.7
69.33914	1.8
69.34346	0.9
81.03413	0.4
81.07038	0.8
89.40147	0.2
91.05487	0.3
93.07041	0.7
95.04961	0.3
98.20653	0.5
100.47626	0.2
105.07036	0.5
106.89552	0.2
107.08597	0.3
119.54102	0.2
131.08562	0.4
185.04245	0.4
196.29529	0.3
203.05307	1.2
248.46312	0.3
253.12781	0.3
259.07941	1.5
271.13791	0.5
295.15060	0.4
301.14355	0.4
331.10208	0.4
407.24234	1.6
441.47147	0.3
457.20459	2.5
471.21982	4.2
487.21643	1.1
569.29303	100.0
570.29834	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
55.05501	7.6
57.07060	10.8
61.83540	2.6
67.05501	17.4
69.07047	11.5
71.04996	6.5
71.59237	3.8
79.05495	20.5
81.07047	29.4
83.04955	2.8
83.08618	6.7
85.06524	4.1
91.05471	43.6
93.07037	58.9
95.04959	37.3
95.08595	21.7
103.05409	4.2
105.07021	78.7
107.08588	47.4
109.06538	4.2
109.10130	22.8
115.05481	4.9
117.06998	22.5
118.07751	3.0
118.97340	3.0
119.08571	100.0
120.09364	8.0
121.06515	2.9
121.10126	30.4
123.08080	13.8
123.11703	4.6
125.09634	2.8
128.06227	7.7
129.06999	15.7
130.07774	8.0
131.08559	50.0
132.09332	12.5
133.10121	52.5
134.10849	6.6
135.08028	5.5
135.11707	17.2
137.09595	4.9
138.10370	10.6
141.06995	8.4
142.07779	18.5
143.08528	37.8
144.09355	12.9
145.10124	81.8
146.10933	6.4
147.11685	21.9
149.09608	5.5
149.13214	3.2
151.11172	2.7
155.08556	17.6
156.09389	14.7
156.10443	2.6
157.08936	4.1
157.10114	49.9
158.10887	12.2
159.11670	38.8
161.09589	6.3
161.13266	6.5
163.11069	3.9
165.06979	3.8
167.08566	5.3
168.09325	6.9
169.10117	25.0
170.10905	10.3
171.11707	35.8
172.12407	6.6
173.13252	28.2
175.14819	24.6
177.12741	6.7
179.08534	6.7
180.09326	4.7
181.10143	17.7
182.10841	6.5
183.11661	28.2
184.12401	5.7
185.13235	24.9
186.13976	7.2
187.14830	15.9
189.12669	3.8
191.14319	10.8
193.10077	8.5
194.10939	6.3
195.11667	17.3
196.12460	9.5
197.13231	31.9
198.13884	7.0
199.14731	13.4
201.12686	3.4
201.16393	8.3
203.14380	5.2
206.10896	4.8
207.11612	10.9
208.12389	5.3
209.13226	29.3
210.14091	4.8
211.14796	18.8
212.15477	2.7
213.16321	5.4
217.15878	8.4
219.11830	3.5
219.17438	3.7
220.12471	3.2
221.13133	7.7
223.14755	10.8
224.15613	3.8
225.16412	6.7
233.13257	5.8
235.14786	7.2
237.16354	9.9
239.17943	5.3
241.19493	3.7
249.16338	4.8
251.17975	3.5
253.19434	4.6
257.18945	3.5
263.17917	5.5
265.19733	3.0
267.21182	2.8
271.20422	3.3
283.20526	5.3
284.29443	4.0
305.22546	3.2
319.20148	2.8
323.23651	11.0
337.25290	4.4
338.26004	47.3
381.93027	3.2
430.31955	12.6
476.36600	20.9
512.36481	3.1
568.42133	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.1
53.03943	11.6
55.01865	10.0
55.05511	30.4
57.03432	6.7
61.53121	1.4
65.03925	7.8
67.05502	81.6
69.03428	4.9
69.07065	19.1
70.43376	1.9
70.43730	4.6
71.04980	5.4
73.06541	2.6
77.03911	2.0
79.05489	95.5
81.03413	45.9
81.06573	3.1
81.07056	64.3
83.04968	16.5
83.08602	7.7
83.12364	1.4
85.02911	3.5
85.06507	3.5
91.05476	98.6
93.07040	65.4
95.01362	3.2
95.04964	100.0
95.08604	36.1
97.02888	5.3
97.06528	9.8
97.10165	5.3
99.08090	3.1
103.05470	9.8
105.04505	2.8
105.07027	62.1
107.04957	23.3
107.08586	20.9
109.02867	2.6
109.06514	9.9
109.10130	12.2
109.70591	1.5
111.04453	2.3
111.08076	3.7
114.17257	1.4
115.05456	14.5
116.06239	3.6
117.07010	37.0
119.04928	3.6
119.08582	30.9
121.06493	15.5
121.10133	6.9
123.04429	5.5
123.08038	7.2
125.09654	1.6
127.07579	1.8
128.06213	32.2
129.06996	55.3
130.07748	3.1
131.04927	22.0
131.08562	28.2
132.05695	2.1
133.06485	9.6
133.10126	18.6
134.32977	1.4
135.04428	4.2
135.08083	5.3
135.11688	5.6
135.86162	1.5
137.05960	1.7
137.09604	2.7
141.06987	23.4
142.07797	7.2
143.08553	38.0
144.05736	2.2
145.06479	30.1
145.10121	20.8
146.07193	1.8
147.04445	3.8
147.08031	10.7
147.11674	24.6
147.37260	1.5
149.05949	3.3
149.09669	2.9
149.13249	3.3
152.06219	4.8
153.07048	8.7
154.07800	4.0
155.08534	21.3
156.09332	2.7
157.06500	19.6
157.10091	11.5
158.07240	4.4
159.04514	2.0
159.08047	27.8
159.11635	8.5
161.05972	5.8
161.09630	9.7
161.13240	8.9
163.11157	4.5
165.07025	7.7
166.07820	5.6
167.08569	24.7
168.09360	2.2
169.06482	6.0
169.07913	1.5
169.10114	12.3
170.07249	2.5
171.08043	46.9
171.11690	25.9
172.08789	2.3
173.06044	2.1
173.09634	13.9
173.13229	2.4
175.07565	4.7
175.11234	3.4
177.12723	3.8
178.07689	3.2
179.08528	7.6
180.09364	2.1
181.10118	16.0
183.08089	11.6
183.11610	8.5
184.08833	3.0
185.09619	27.9
185.13341	2.5
187.07568	4.2
187.11174	9.2
189.11282	2.1
189.12662	7.9
191.08585	3.4
192.09341	2.6
193.10190	6.1
195.08087	5.6
195.11703	6.3
197.09637	3.8
197.13280	2.9
199.07683	2.1
199.11246	5.0
199.14822	4.5
201.12729	3.5
205.10098	3.5
205.12177	1.8
207.11700	4.8
207.13823	11.4
209.09621	5.0
209.13179	8.6
211.11226	5.8
213.12822	1.6
215.10732	1.6
218.10904	2.9
221.09566	1.6
221.13148	2.1
223.11214	2.5
223.14775	9.1
225.12830	3.5
227.14345	13.5
233.13293	4.5
239.14249	2.2
241.15909	19.1
245.15407	3.7
251.14310	18.4
259.16986	3.8
261.16113	1.5
269.15350	85.6
271.16977	9.4
277.43219	1.5
279.15930	5.0
281.17456	20.4
285.14926	3.2
287.16388	33.1
305.17688	3.3
325.17953	3.1
343.18997	12.9
361.20129	7.0
429.27866	1.9
439.26184	1.6
447.29123	2.4
463.26404	2.0
475.28458	2.4
493.29691	2.5
531.31140	1.7
549.32025	11.4
567.33044	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55919	2.9
53.03924	2.9
55.01862	4.6
56.63635	2.4
57.67340	2.5
63.15549	2.5
67.05483	2.6
69.03410	4.8
70.06559	2.8
71.59531	4.6
79.05481	7.1
81.03424	24.2
81.07032	3.4
82.98026	3.0
83.04968	2.9
83.08586	3.8
85.02908	8.3
91.05468	4.6
91.99870	3.4
95.04936	3.7
97.02915	4.7
97.06533	5.0
100.11274	6.0
103.05447	6.2
103.22076	3.1
105.07035	5.0
107.04931	14.3
115.05444	10.3
117.07001	12.0
119.04942	4.5
119.08620	2.8
121.06512	4.1
123.04411	10.1
124.05253	3.0
125.02312	3.5
127.03889	4.4
128.06259	3.6
129.07048	3.4
131.04886	4.5
131.08554	7.1
136.05841	2.8
137.05962	16.4
144.05771	5.8
145.06493	27.3
145.86678	2.8
147.04399	7.6
149.05965	6.0
151.03836	5.0
153.01836	26.5
153.05475	5.2
156.05684	6.3
157.06520	3.3
159.08022	8.8
160.05086	3.3
161.05940	7.0
163.03934	6.1
163.07558	4.6
165.05469	4.1
167.07033	100.0
169.06451	3.7
173.05984	32.8
175.07571	5.5
179.06995	5.0
181.04907	6.4
181.08594	4.6
182.15340	4.7
187.07561	15.6
189.05603	3.5
189.09143	3.5
190.06256	20.2
191.07024	13.8
193.08591	6.2
195.06500	3.3
202.06282	3.6
203.06984	8.7
205.08575	37.8
207.06479	6.3
209.08051	6.0
217.08577	24.7
219.10191	8.9
220.07265	6.9
235.09668	10.3
235.16875	3.9
236.04726	3.9
239.07167	3.1
247.09665	26.6
249.05162	3.0
254.05420	3.2
263.10608	3.7
265.10815	3.5
269.08035	9.1
271.09631	4.4
274.88669	2.7
276.07684	3.4
279.12271	9.4
282.08853	4.3
291.09720	4.8
291.12549	5.5
293.08298	3.4
295.09787	3.6
299.08945	3.4
303.05505	3.5
307.09552	4.2
315.08591	15.2
323.12686	4.7
329.10254	5.8
330.10910	18.0
331.11627	4.6
337.10803	3.6
339.12051	4.2
343.11557	3.6
351.12247	6.9
358.98297	3.3
371.14908	7.8
383.14865	14.3
401.15683	6.4
404.14478	15.4
413.16171	3.2
417.15683	3.5
425.15939	5.0
457.18295	15.3
475.19327	7.7
478.18546	16.4
531.22003	5.5
549.23376	6.9
567.43127	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	567.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
55.05510	2.1
55.44242	0.5
56.96565	0.4
57.03435	1.5
57.72540	0.5
59.04997	0.8
67.05503	7.8
69.03427	1.8
69.07069	1.3
70.12764	1.6
71.04987	0.9
79.05461	3.0
81.03416	5.2
81.07056	4.8
83.04989	1.3
83.08616	1.8
85.02898	2.4
91.05475	3.0
93.07032	3.2
95.04975	1.5
95.08615	1.3
97.02918	1.2
97.06532	1.4
97.10149	0.5
98.08450	0.5
99.04448	0.5
105.07018	2.4
107.08601	2.0
109.02890	0.7
109.10163	3.6
111.04461	0.9
111.08067	1.0
119.08608	1.7
121.06530	0.5
121.10170	1.1
123.04539	0.4
123.08057	0.5
125.09608	0.6
127.03936	0.9
129.06961	0.7
131.08578	1.5
133.10132	1.0
135.11662	0.6
145.10112	0.5
147.11696	1.1
149.09575	0.6
149.13220	0.8
149.15439	0.4
157.10191	0.9
173.11751	1.4
175.11150	0.8
189.11285	0.5
193.12230	0.9
195.13741	0.6
211.13257	0.4
233.11536	0.9
251.12534	1.3
283.15146	11.0
283.18088	0.8
285.16956	0.6
299.14764	0.8
307.15228	1.1
339.17813	6.6
395.20422	0.6
409.45197	0.5
567.31415	100.0
568.31805	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1342
Annotation	Quercetin 3-apiosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
57.03424	0.7
58.58003	0.2
61.02917	0.7
68.99790	0.5
69.03410	0.5
70.57061	0.6
71.01331	0.2
71.05031	0.2
72.67158	0.2
73.02909	6.2
81.03368	0.2
85.02898	0.4
93.03410	0.3
95.04941	0.3
97.02890	0.4
109.02851	0.3
111.00777	0.9
115.03895	0.6
121.02853	0.7
137.02319	2.9
149.02316	0.4
153.01813	3.4
153.02977	0.3
161.05957	0.2
163.03886	0.8
165.01826	2.1
166.02628	0.3
173.06015	0.3
181.19800	0.2
183.02882	0.7
183.04317	0.2
187.03925	0.2
195.02872	0.3
201.05441	1.3
219.06519	0.2
229.04950	3.8
247.05994	0.7
255.16710	0.2
257.04398	2.7
274.04678	0.8
285.03967	1.2
300.40543	0.2
303.04959	100.0
304.05270	0.5
435.09189	21.9
531.16199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.7
55.05520	4.4
56.96580	4.1
61.02905	3.7
65.03934	5.2
67.05486	4.8
69.03432	4.9
71.59408	4.1
75.62554	3.6
76.09033	3.6
79.05470	13.7
81.03424	5.4
81.07041	4.6
85.02902	8.7
91.05476	19.8
95.04982	5.9
103.05465	7.4
105.07008	10.8
106.04155	4.0
107.04950	13.0
107.08569	6.4
111.04442	6.6
115.05428	6.2
119.04918	13.8
119.08578	6.0
121.06483	5.2
121.10151	4.7
123.04430	9.9
129.07010	8.4
131.04916	9.1
133.06497	5.8
137.05965	24.6
145.06432	6.1
147.04399	17.1
147.07996	5.3
152.04686	4.7
153.01730	5.3
153.05489	24.4
159.08107	9.6
161.05998	17.7
163.07561	6.7
167.07028	100.0
173.07553	3.9
175.07533	28.5
179.07002	6.9
181.04916	6.3
187.07529	20.2
191.06996	14.5
191.08528	4.6
197.06099	4.8
199.07512	10.7
202.07715	5.3
209.07996	4.5
215.08560	4.6
218.07236	5.3
219.08141	5.5
221.09775	5.1
231.08153	9.5
235.07291	5.5
247.22150	4.0
249.09038	9.7
251.10448	5.3
259.07571	7.6
261.09140	4.8
265.08527	9.0
270.78104	4.7
276.07721	7.6
277.08572	9.1
279.10150	4.3
281.11551	8.8
289.63400	3.9
293.11697	5.9
307.09552	12.1
308.10425	4.5
309.11261	10.0
319.09692	10.3
321.11310	7.7
323.12650	5.2
339.12283	39.7
341.14127	18.9
351.12241	25.0
353.13733	11.7
391.20352	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	567.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
58.58003	0.2
61.02917	0.7
68.99790	0.5
69.03410	0.5
70.57061	0.6
71.01331	0.2
71.05031	0.2
72.67158	0.2
73.02909	6.2
81.03368	0.2
85.02898	0.4
93.03410	0.3
95.04941	0.3
97.02890	0.4
109.02851	0.3
111.00777	0.9
115.03895	0.6
121.02853	0.7
137.02319	2.9
149.02316	0.4
153.01813	3.4
153.02977	0.3
161.05957	0.2
163.03886	0.8
165.01826	2.1
166.02628	0.3
173.06015	0.3
181.19800	0.2
183.02882	0.7
183.04317	0.2
187.03925	0.2
195.02872	0.3
201.05441	1.3
219.06519	0.2
229.04950	3.8
247.05994	0.7
255.16710	0.2
257.04398	2.7
274.04678	0.8
285.03967	1.2
300.40543	0.2
303.04959	100.0
304.05270	0.5
435.09189	21.9
531.16199	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	0.8
61.02913	0.6
69.03420	1.1
70.16975	1.3
73.02910	7.6
85.02887	0.8
93.03403	0.5
97.02882	0.8
98.20757	0.3
104.52936	0.3
111.00784	0.9
115.03914	1.1
121.02876	0.9
127.03891	0.4
131.04906	0.5
133.04944	0.8
137.02309	2.5
137.05997	0.4
147.04413	0.4
149.02347	0.4
153.01801	3.2
163.03877	0.7
165.01799	1.8
166.02538	0.4
167.07248	0.3
173.06075	0.4
183.02849	0.5
195.02913	0.3
201.05424	1.2
208.31572	0.3
219.10085	0.3
229.04944	3.8
247.05968	0.6
257.04395	2.6
274.04572	0.7
284.81189	0.3
285.03946	1.2
299.05554	0.3
303.04956	100.0
304.05371	0.7
315.04984	0.4
345.06308	0.4
369.06094	0.4
399.07300	0.4
435.09189	26.7
546.46234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
57.03419	1.5
69.03402	1.2
70.04350	1.1
71.04996	9.2
73.02882	1.6
79.05472	4.2
85.02910	9.5
91.05463	2.1
95.04968	3.5
105.07038	1.7
107.04959	13.3
109.77154	0.9
111.04428	1.5
115.05461	1.0
117.06995	1.9
123.04408	4.1
124.05165	1.8
125.05972	2.8
128.06168	1.1
129.06989	2.5
131.08501	3.3
133.02914	1.4
133.06502	1.3
137.02327	2.3
137.06044	5.1
144.05682	1.7
145.06453	3.2
147.04442	1.8
151.07492	1.2
153.01797	1.5
153.05440	1.4
155.06966	1.7
156.05696	2.1
157.06464	2.6
159.07959	5.3
161.05956	1.8
167.07039	27.7
168.07388	1.0
169.06448	1.2
173.05988	3.8
177.05513	1.3
181.04909	2.0
182.09474	1.3
183.06590	5.3
187.07565	6.7
190.06206	1.5
193.08588	1.5
202.06325	1.4
204.07712	1.1
205.06639	1.0
205.08557	5.1
208.08919	1.3
210.08922	0.9
214.05806	1.2
217.08553	8.7
218.07312	1.2
219.08025	3.8
219.10164	7.1
221.09488	1.4
231.08080	2.1
233.09590	2.2
234.06732	1.7
235.07544	1.8
236.08360	2.0
241.04840	1.3
242.05463	1.1
247.07584	5.5
248.08253	3.8
248.10547	1.4
249.08990	2.8
249.11235	3.0
251.10788	1.5
260.08279	1.4
261.09064	2.5
262.09903	1.2
263.06873	2.4
263.10593	3.3
264.07785	3.7
265.08374	2.0
265.10864	1.4
275.06995	1.7
276.07724	2.6
277.08664	3.4
279.10123	6.4
281.11948	1.2
287.05481	75.4
288.05820	100.0
289.05930	3.8
290.09445	2.1
291.06702	1.4
291.10110	3.0
292.07278	1.3
293.08011	2.2
293.11258	1.2
295.09528	1.6
303.04962	19.0
307.09735	9.2
308.10428	2.4
309.11252	2.1
310.11816	1.3
311.12595	3.2
323.09137	2.3
323.12772	2.1
329.10489	1.2
337.10776	1.4
338.11423	2.1
339.12262	3.6
341.13568	1.2
351.12195	3.5
355.11880	1.1
359.14740	1.3
369.13367	19.0
370.13730	2.1
371.14859	11.9
383.14819	3.8
387.14471	2.5
389.15939	13.0
401.15942	93.3
402.16391	7.4
419.09555	2.0
419.17062	14.2
420.10016	9.6
420.17813	3.1
434.11514	2.6
434.59134	1.1
435.09195	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	565.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.9
55.05507	17.1
57.03430	10.0
57.07073	31.8
67.05503	42.4
69.07059	9.9
71.01328	4.9
71.08633	19.2
71.59666	2.8
71.60098	4.0
77.23280	2.9
79.05488	24.5
81.03416	26.5
81.07059	43.0
83.04972	7.4
83.08620	16.4
85.10172	11.5
91.05463	14.8
93.07034	19.4
95.04960	65.6
95.08625	27.3
97.06524	3.6
97.10174	8.7
105.07027	19.0
107.04966	14.4
107.08611	16.8
107.09256	3.8
109.02864	12.0
109.06496	5.1
109.10130	15.1
111.08073	4.3
117.07001	9.4
119.08585	13.0
121.06505	9.1
121.10153	15.4
123.04427	72.5
123.11723	7.5
125.09621	5.0
129.07001	10.9
131.04982	3.1
131.08556	8.6
133.06404	4.4
133.10115	8.0
135.08025	3.2
135.11673	10.7
137.06012	3.6
143.08571	5.1
145.10126	19.2
147.08025	6.5
147.11690	5.6
153.09079	6.0
159.08102	3.4
161.13217	3.8
163.11203	17.0
171.11678	5.7
173.09595	8.3
183.11536	3.2
189.12759	13.5
191.10643	6.4
207.13789	12.6
213.23438	3.7
217.12201	10.1
235.13269	100.0
237.14304	3.1
239.23665	5.2
253.14465	5.0
257.24823	4.0
268.16165	3.4
291.16010	3.2
309.16968	63.0
313.27344	86.8
341.26843	4.3
416.63956	3.9
457.86993	3.4
547.40021	50.8
565.40503	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	565.1546
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
55.05489	0.3
57.03427	2.6
59.41891	0.4
68.99782	0.5
69.03421	0.4
69.37012	1.6
69.37452	1.8
69.81065	0.3
71.04989	17.2
73.02906	0.6
75.04474	0.9
83.04969	0.8
85.02900	18.4
87.04472	0.6
98.21561	0.7
104.46609	0.4
111.00825	0.6
111.04430	0.4
121.02869	1.8
129.05463	4.3
133.02809	0.7
137.02252	0.4
147.04404	0.4
147.06442	0.4
148.01369	0.3
153.01839	2.8
165.01794	1.8
167.07025	0.4
183.02867	0.6
185.06065	0.5
213.05472	0.9
218.10219	0.3
225.55066	0.4
231.06451	0.6
241.04977	0.6
252.14766	0.3
258.05289	1.1
259.06018	0.5
287.05478	100.0
288.05826	0.8
319.14105	0.3
329.06509	0.7
342.93784	0.3
397.09076	0.4
419.09708	29.3
501.15204	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1548
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
57.03419	2.6
61.67529	0.7
69.03437	1.4
70.58664	0.9
70.59047	1.3
71.04992	20.1
72.07205	0.6
73.02882	0.7
82.07093	0.7
85.02901	20.8
87.04408	1.0
90.17120	0.7
97.02907	0.7
121.02851	2.6
129.05473	6.3
153.01836	2.4
165.01872	0.9
183.02882	1.3
207.79459	0.7
213.05370	1.1
241.04950	1.3
258.05252	2.0
287.05490	100.0
329.06772	1.4
394.57245	0.7
413.64041	0.8
419.09692	31.6
501.59372	0.8
557.93732	0.8
565.18878	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.155
Annotation	Kaempferol 3-rhamnosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
57.03226	0.3
57.03437	3.2
68.99817	0.4
70.73776	0.7
70.74116	0.4
71.04992	18.6
73.02912	0.8
75.04466	0.6
83.04944	0.6
85.02901	20.3
87.04464	0.4
95.56958	0.3
96.07531	0.3
98.20881	0.3
121.02863	1.7
129.05469	4.8
133.02875	0.4
137.02260	0.5
147.06573	0.8
153.01820	2.2
157.55655	0.3
162.10068	0.3
165.01813	1.3
183.02864	0.5
200.58101	0.3
213.05453	0.8
231.06534	0.7
241.04971	0.8
258.05258	1.1
259.06342	0.4
287.05490	100.0
288.05829	1.9
329.06638	0.8
419.09723	25.7
420.09976	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	9.7
55.05507	20.2
57.03432	23.6
61.02917	6.6
67.05505	69.1
69.03429	10.9
69.07069	31.7
69.31532	53.3
72.76057	5.0
77.26507	5.0
79.05470	41.8
81.03410	19.0
81.07052	74.6
83.04972	11.1
83.08616	17.3
85.02900	21.0
85.06573	5.9
91.05478	34.1
93.07046	53.7
95.04984	11.4
95.08604	33.1
97.02893	13.6
97.06533	17.0
97.97848	4.5
98.20697	10.0
105.07020	38.3
105.86452	5.6
107.04988	6.8
107.08591	34.2
109.10174	17.9
111.08073	8.9
117.07012	22.1
119.08540	24.1
119.72208	4.6
121.10146	18.6
123.08047	5.1
123.11697	7.1
131.08562	21.2
133.10126	22.2
135.08041	8.3
135.11687	17.2
143.08630	5.5
145.10150	20.7
147.11710	12.4
149.09599	12.4
149.13274	24.1
157.10002	5.4
159.11688	30.0
163.11201	13.4
171.11681	4.6
173.13280	9.5
177.12651	25.1
179.14371	8.3
195.13811	9.0
221.13152	5.8
255.15950	44.2
257.18991	8.2
269.17468	100.0
269.20276	3.6
275.19946	25.5
323.92575	4.9
349.23801	56.2
367.24808	16.6
413.04758	5.3
413.21790	5.9
482.02194	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
54.18816	1.6
55.01870	3.7
55.05511	12.2
55.90471	1.8
57.03442	4.8
61.02929	4.1
63.71227	1.5
64.24541	1.4
67.05503	22.2
69.03420	2.6
69.07062	16.1
69.80405	10.5
71.04986	3.0
79.05487	24.4
79.39478	1.6
81.03409	3.8
81.07052	55.7
81.07520	3.6
83.04965	2.5
83.08619	8.9
85.02932	4.0
88.50795	1.9
91.03948	2.7
91.05478	16.0
93.07031	20.0
95.04962	7.6
95.08595	14.4
97.02892	2.5
97.06531	5.3
97.10159	2.2
98.21411	2.5
105.07017	14.9
107.04945	6.6
107.08592	13.9
108.16887	1.6
109.06512	16.9
109.10173	7.8
111.08083	1.9
112.02727	1.4
117.07021	4.6
117.21612	1.8
119.08572	13.7
121.06490	5.0
121.10152	10.3
123.08046	3.6
123.11688	3.0
125.09681	2.3
129.06981	2.2
131.08572	7.0
133.10136	10.8
135.08093	2.5
135.11700	4.0
137.09550	3.8
139.07231	1.5
145.10130	7.6
147.11673	13.0
149.09630	7.1
149.13258	6.0
149.54074	1.8
159.11705	6.6
161.13231	2.2
163.11189	5.3
165.12729	3.8
173.05605	1.8
173.11893	1.7
173.13235	3.4
177.12749	2.9
193.12212	1.9
247.20668	1.6
250.12036	1.8
257.18997	5.4
269.17545	7.0
275.20065	31.4
293.21210	6.8
349.23712	71.7
367.24744	100.0
497.08820	1.9
499.96677	1.6
564.32031	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	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
54.25759	2.3
55.01857	11.0
55.05260	2.7
55.05506	37.1
57.03428	11.8
57.07071	4.5
65.03944	5.7
66.46815	2.1
67.05498	100.0
69.03436	2.9
69.07063	27.1
71.04976	8.9
79.05061	3.3
79.05486	52.0
80.05813	3.7
81.03407	22.1
81.07050	90.6
83.04980	14.1
83.08610	24.5
85.02885	6.9
85.06532	4.2
86.45815	2.2
91.05473	51.6
93.07035	65.7
95.04970	19.2
95.08597	68.1
97.06535	14.0
97.10187	18.0
98.21526	5.2
99.08079	4.4
105.07019	47.4
107.04914	3.2
107.08584	43.6
109.06492	6.6
109.10138	33.6
111.04401	4.9
111.08084	9.5
116.77340	2.4
117.07009	17.7
119.08575	41.2
121.10126	25.6
123.08041	6.6
123.11710	12.9
125.09599	11.6
128.06172	2.7
129.07005	14.0
131.08559	35.7
133.10127	30.7
135.08040	5.7
135.11681	18.0
137.09576	6.8
137.13280	3.0
141.06993	4.3
142.07777	3.2
143.08582	14.4
145.10117	26.5
147.08049	4.0
147.11687	25.1
149.09570	5.4
149.13252	9.6
151.11148	3.6
153.12784	4.7
155.08516	6.5
157.10112	14.5
159.11687	19.0
161.13220	11.2
163.11185	6.4
165.12663	3.9
169.10129	6.5
171.11656	9.2
173.11885	2.9
173.13271	13.6
175.11081	4.0
175.14842	6.1
177.12686	4.7
178.88634	2.4
181.10121	4.8
181.12148	3.5
183.11685	6.6
185.13240	8.4
187.14810	5.8
189.11212	10.6
193.12233	13.7
197.13251	3.8
199.14864	5.3
201.16393	3.6
211.13261	24.5
227.12773	6.4
229.14348	5.6
243.20650	2.8
247.20773	3.1
261.22095	7.9
263.20178	2.4
267.15985	4.1
277.21362	3.3
279.23248	4.5
283.15405	2.7
285.17004	9.9
285.22089	6.3
289.21939	3.0
299.23758	2.6
301.21771	2.5
301.25061	3.1
303.23117	6.5
317.24515	3.9
335.25821	14.3
417.31494	4.8
435.27216	2.5
435.32391	13.3
453.33624	14.0
471.34644	12.7
473.32706	6.9
487.34427	3.8
489.35382	4.0
509.36002	6.8
519.75500	2.6
527.37219	32.9
545.38312	63.0
563.30988	4.0
563.39410	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01870	9.7
55.05511	36.7
56.59612	2.0
57.03431	10.2
57.07065	3.9
59.04998	3.8
65.03939	5.7
67.05502	100.0
69.03418	4.9
69.06785	2.1
69.07072	29.6
70.16473	9.2
71.04980	8.0
79.05057	3.4
79.05490	59.9
81.03423	22.8
81.07056	90.7
83.04987	18.2
83.08617	30.0
85.02900	8.9
85.06544	6.8
91.05479	54.4
93.07041	63.4
95.04967	18.1
95.08602	67.3
97.06525	11.8
97.10157	21.2
98.96351	2.1
99.08087	4.8
101.76025	2.0
105.07025	47.9
107.04950	6.1
107.08592	43.4
109.06520	8.9
109.10144	39.0
111.04449	6.7
111.08101	10.0
115.05443	3.9
117.07038	16.3
119.08578	41.0
121.06508	4.0
121.10134	29.2
123.08062	6.6
123.11710	16.0
125.09620	11.0
128.06229	4.6
129.06979	12.2
131.08566	35.1
133.06544	2.3
133.10132	37.5
135.08012	5.7
135.11687	25.9
137.09625	4.4
140.43669	2.0
142.07765	2.5
143.08528	12.6
145.10114	26.9
147.08005	3.7
147.11710	23.6
149.09569	5.1
149.13240	11.1
151.11095	5.2
153.09091	2.1
153.12753	6.5
155.08563	5.8
157.10135	19.7
159.11687	20.7
161.09634	3.0
161.13240	9.8
163.11140	7.7
163.14857	3.6
165.12766	6.6
169.10139	7.4
171.11632	10.0
173.13235	13.9
175.11185	6.0
175.14812	5.9
177.16489	1.9
181.10158	3.3
181.12242	4.3
183.11707	8.3
185.13258	9.6
187.13251	4.1
187.14851	8.4
189.11235	10.6
191.10637	2.5
191.14311	2.3
193.12206	16.3
197.13272	4.7
199.14867	4.4
201.16499	3.0
209.13297	2.5
211.13222	24.6
211.14900	3.5
213.16458	2.9
225.16447	3.0
227.12764	9.2
229.14259	3.9
235.17116	2.4
240.54646	2.3
256.55450	2.3
259.20572	2.3
261.22083	11.1
267.15942	4.3
269.17383	2.2
279.23218	6.1
283.15448	3.1
285.16821	11.6
285.22141	2.7
301.25278	4.2
303.23221	8.3
317.24680	5.4
335.22198	3.0
335.25748	13.7
359.25598	2.9
377.26895	2.6
395.29324	2.0
417.30969	2.8
435.32547	9.4
444.40430	2.1
453.33524	9.8
471.34882	9.9
489.35986	3.3
509.36200	5.1
527.37244	27.9
545.30389	4.0
545.38336	69.9
563.39282	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
54.47986	1.9
55.01853	8.3
55.05508	36.3
57.03416	9.2
57.07059	5.5
65.03928	4.6
67.05502	100.0
69.03421	3.1
69.07064	22.9
71.04983	7.5
71.59788	2.9
72.18592	1.8
73.06544	2.5
75.30714	1.8
79.05490	48.2
81.03041	2.1
81.03418	21.1
81.07053	90.2
83.04991	14.6
83.08616	25.8
85.02883	7.0
85.06533	5.5
91.04902	1.9
91.05473	49.2
93.07038	56.6
95.04964	19.4
95.08602	63.3
97.06529	15.4
97.10165	18.7
99.08080	5.3
105.07021	46.3
107.04951	4.8
107.08585	41.1
109.06506	7.0
109.10147	34.0
111.04440	8.1
111.08070	9.1
115.05486	4.4
117.07021	19.0
119.08587	33.3
119.09422	1.6
121.06483	5.7
121.10153	25.8
123.08069	6.2
123.11698	13.3
125.09628	12.0
128.06271	2.6
129.07034	10.7
131.08568	23.1
133.06499	3.0
133.10107	26.9
135.08025	2.3
135.11697	22.9
137.09554	2.6
137.13252	4.1
141.06952	3.0
142.07701	2.0
143.08562	8.5
145.10104	24.9
147.11670	23.3
149.09584	6.2
149.13220	12.9
151.11125	6.4
153.12727	3.6
155.08521	4.7
157.10143	15.5
159.11679	17.5
161.09592	3.2
161.13208	11.1
163.11186	5.9
163.14796	3.9
165.12720	4.6
169.10071	6.6
171.11650	7.0
173.09633	2.9
173.11925	2.1
173.13222	11.1
175.11186	6.3
175.14806	2.7
181.12236	5.0
183.11720	4.9
185.13222	7.2
187.11177	2.2
187.14812	7.0
189.11174	9.3
191.10680	3.7
193.12274	15.9
197.13283	3.9
199.14781	5.1
201.16386	2.3
209.13332	2.5
211.13214	22.3
211.14941	3.0
213.16493	3.4
227.12790	10.0
229.14285	5.7
243.21054	3.8
253.14276	1.9
261.22128	15.6
261.63037	1.9
267.15930	6.1
277.21719	3.6
279.23059	2.8
285.16873	11.6
285.22046	5.2
291.19534	2.7
299.23810	2.3
301.25278	3.8
303.23160	6.2
317.24783	4.2
335.25870	18.3
337.27295	2.6
340.98022	2.0
341.24792	2.6
351.25296	1.9
359.25763	3.4
377.27191	2.6
417.31235	2.7
418.24796	1.9
433.29456	3.4
435.32550	11.7
453.33765	12.4
471.34814	12.4
473.32730	4.7
487.33862	2.6
489.35794	3.9
509.36197	3.3
527.37360	26.7
545.38354	87.8
546.38721	2.3
563.39343	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67223	1.4
53.03931	3.3
55.01868	2.8
55.05505	19.4
57.03427	8.9
57.07075	2.3
59.68270	1.3
65.03959	2.6
67.05499	69.3
68.05823	1.3
69.07061	23.6
71.04974	5.8
77.03899	1.5
79.05489	45.5
81.03406	1.8
81.07050	100.0
83.04964	6.3
83.08605	12.3
85.06528	5.5
91.05470	35.7
91.06010	2.8
93.07036	49.0
93.07627	2.8
95.04958	8.8
95.08599	50.0
97.06516	9.2
97.10157	4.2
99.08075	2.5
105.07021	36.9
107.08583	30.8
109.06506	5.1
109.10149	19.2
111.08073	2.0
117.07005	6.4
119.08576	26.6
121.06519	2.0
121.10133	29.4
123.08051	4.8
123.11707	23.1
125.09615	2.4
127.07557	1.9
129.06989	3.6
131.08559	15.7
133.10109	16.1
134.10414	1.4
135.11670	15.0
136.11905	1.4
137.09587	2.0
137.13240	4.1
143.08565	2.1
145.10103	10.7
147.11673	38.8
147.12782	2.9
149.09613	2.5
149.13301	7.6
151.11160	2.4
157.10130	4.2
159.11693	7.4
161.13248	5.4
163.11160	2.4
163.14827	3.7
165.12724	16.4
171.11621	3.0
173.13242	5.8
177.12730	1.5
183.13803	2.4
185.13181	2.8
187.14801	5.0
193.12236	3.3
199.14902	2.0
215.17842	1.4
225.16255	1.3
229.14352	5.5
243.21129	5.7
259.20679	1.7
261.22113	24.5
267.15906	25.8
277.21497	1.7
279.23303	2.6
285.16980	25.3
291.31177	1.3
299.23798	1.8
303.23044	1.4
317.24747	7.5
335.21964	2.6
335.25803	33.0
336.26038	2.4
353.26837	1.8
365.23764	1.8
387.14102	1.3
453.33618	6.2
471.34427	3.9
527.36993	7.6
545.38245	22.0
563.39331	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	563.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01870	2.3
55.05508	15.2
57.03427	7.7
57.07075	4.0
62.97314	1.8
65.03917	2.8
67.05503	65.8
69.07070	19.6
70.65440	1.7
71.04982	4.5
71.08620	2.2
71.59967	3.5
79.05489	35.6
81.07051	100.0
83.04967	3.8
83.08622	9.6
85.06548	2.5
91.05471	28.8
93.07040	37.5
95.04969	5.0
95.08598	44.4
95.09164	3.5
97.06523	5.2
97.10173	3.6
99.08119	2.6
105.07017	34.6
107.08595	29.2
109.06500	5.1
109.10142	23.0
111.08128	2.6
117.07007	5.3
117.60875	2.0
119.08569	24.7
121.10136	27.0
123.08061	4.0
123.11691	25.8
129.06984	3.1
131.08568	12.4
133.10150	12.4
133.11023	2.2
135.11668	12.7
137.13275	4.7
143.08542	2.1
145.10139	7.4
147.11682	41.4
149.13268	8.2
157.10126	4.4
159.11707	6.4
161.13228	3.5
163.14789	3.0
165.12718	17.7
173.13275	6.7
175.14868	3.1
183.13802	4.6
187.14825	2.6
191.14398	1.9
193.12210	3.1
229.14374	5.5
243.21133	7.1
251.30095	1.9
261.22128	30.2
265.90927	2.3
267.15930	31.8
267.18561	2.7
277.21640	2.1
279.23218	3.8
285.16940	33.0
317.24622	6.2
335.25766	42.1
453.33829	3.5
471.34140	2.3
527.37244	4.2
545.38214	17.8
563.39642	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	563.3201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.7
55.05500	3.1
57.02369	0.5
57.03417	0.8
59.05000	0.6
66.20226	0.4
67.05500	7.4
69.07059	2.2
71.04980	1.3
71.60107	0.9
79.05492	5.7
80.05833	0.7
81.03413	2.8
81.07047	6.6
82.07387	0.7
83.04973	1.2
83.08610	1.7
85.06533	0.9
91.05477	4.4
93.07038	5.0
94.07390	1.0
95.04967	2.6
95.08594	3.5
97.06512	1.3
97.10161	0.9
105.07038	3.1
106.07391	0.6
107.04964	0.9
107.08620	3.3
109.06536	0.6
109.10143	2.7
117.07005	1.0
119.08592	3.1
121.10145	1.9
123.04405	0.5
123.08019	1.2
125.09600	0.9
129.07065	1.1
131.08540	1.6
133.10107	2.0
134.10542	0.6
135.11674	1.3
143.08559	1.2
145.10123	1.1
147.11705	2.1
149.09634	0.9
149.13278	0.7
157.10143	1.1
158.99770	0.5
159.11658	1.1
160.11987	0.6
161.13315	0.8
171.11774	1.1
173.13303	0.8
189.11298	0.5
193.12224	1.0
247.13062	1.6
283.15137	11.1
291.19504	1.0
303.15652	1.7
339.17725	5.2
402.36154	0.6
527.36829	0.9
545.37164	2.0
563.31866	100.0
564.32123	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	563.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27789	4.5
77.89468	0.4
83.09504	0.4
87.98910	0.4
98.20779	0.7
107.04940	0.6
119.04873	0.5
121.02880	1.1
123.04446	0.8
126.02822	0.5
147.04417	0.6
153.01816	0.5
159.04222	1.9
171.88161	0.4
185.04245	0.8
287.05551	1.1
311.05380	1.0
314.76932	0.3
337.12576	1.4
339.08612	0.8
351.10532	1.4
365.12170	1.4
366.12759	2.3
383.11282	3.1
401.12268	3.8
417.11835	1.5
478.81403	0.4
526.05109	0.5
563.20972	100.0
564.21423	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	563.2097
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
53.00033	0.2
69.28651	0.4
69.29061	2.2
69.67290	0.2
70.06579	0.3
74.53969	0.2
74.55559	0.2
85.02909	0.5
97.02806	0.2
103.05530	0.4
105.03305	0.2
107.04952	0.5
111.00777	0.3
111.04362	0.2
121.02858	4.4
123.04415	1.1
127.03820	0.4
128.54036	0.2
131.04855	0.4
133.06479	0.5
135.04356	0.4
137.05991	0.3
139.03905	0.4
147.04422	1.0
149.05986	0.4
151.03899	0.3
153.01814	1.1
159.04158	2.3
161.05981	0.4
163.03926	0.9
165.05493	0.3
171.02809	0.3
177.05450	0.4
179.03322	0.2
185.04288	0.3
187.03896	0.3
189.05452	0.5
201.03677	0.3
226.98633	0.8
233.07886	0.3
249.07782	0.4
259.06064	1.0
271.05957	1.3
273.07578	0.3
287.05573	0.3
299.05328	0.3
311.05484	0.6
311.09061	0.3
329.10132	0.3
337.12549	1.1
339.08582	0.5
351.10449	0.8
365.12158	1.5
366.12656	1.8
373.12982	0.8
377.04929	0.3
379.13409	0.5
383.11438	0.5
393.09662	1.0
399.10956	0.6
401.12302	1.0
411.10403	0.6
417.11810	6.2
503.08600	0.6
563.20953	100.0
564.21375	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	563.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05482	0.4
68.67404	0.3
71.04979	0.5
71.34161	0.5
71.34479	0.3
78.44528	0.2
81.03440	0.2
81.07040	0.3
83.01343	0.7
83.04943	0.3
85.02896	0.7
85.47879	0.2
91.05484	0.5
91.06083	0.2
93.07056	0.3
107.04919	0.3
109.06512	0.9
119.04935	0.9
123.04430	0.5
124.05203	1.2
129.06950	0.2
131.04871	0.3
137.06018	0.6
139.03899	1.1
147.04407	2.6
149.72987	0.3
152.04674	1.0
165.05487	0.9
167.03418	7.5
167.07036	1.0
179.03415	0.4
180.04184	4.8
181.04919	0.4
195.06523	100.0
196.06798	1.6
198.05243	3.3
255.06480	0.6
267.06738	0.3
287.05475	0.4
303.04965	0.5
315.12244	62.1
316.12558	1.0
417.11758	0.4
563.32806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.6
55.01869	1.1
60.74246	0.6
65.03915	0.8
68.99793	1.9
69.82853	4.2
79.21841	0.6
83.53099	0.8
91.05457	2.8
95.04951	2.0
97.02882	0.7
98.21458	0.7
107.04949	44.1
111.00774	1.6
111.04406	1.8
119.04931	20.6
121.02861	10.4
123.04420	14.6
127.03915	2.1
130.97168	0.6
131.04955	0.9
133.06459	2.7
135.04398	1.7
137.02290	0.8
137.05997	2.2
139.03900	12.9
141.07036	0.7
145.06479	4.7
147.04404	25.8
149.02306	3.2
151.03903	6.3
153.01802	1.5
157.06490	1.8
161.02252	0.8
161.06012	3.3
163.03882	3.7
165.05460	3.1
167.03404	7.5
171.04436	4.4
175.03783	3.4
177.05431	1.8
179.03397	5.0
185.05988	2.3
187.07593	1.5
189.05441	4.3
191.03368	6.0
191.06950	0.8
193.04958	2.0
197.05927	1.0
199.07466	1.2
201.05482	1.4
203.03384	5.8
204.07590	2.2
207.06509	1.1
213.05431	1.6
215.07025	1.1
219.06273	1.4
227.07034	2.4
229.04979	1.6
231.06488	11.6
233.04442	3.0
239.06918	1.1
243.06458	4.9
245.04408	2.3
245.08159	2.2
251.05475	0.9
255.06488	6.9
257.04425	4.7
257.08051	0.8
259.06049	1.4
267.06580	3.0
269.04434	0.8
271.06003	2.0
273.07562	11.1
275.05435	7.7
285.07498	9.2
287.05444	13.4
291.08633	6.3
299.05432	2.8
303.08344	1.2
311.09158	0.8
351.10440	4.4
355.06256	4.3
365.12042	3.2
373.12750	1.1
393.09650	8.4
394.10123	0.8
395.11279	1.9
399.10599	0.8
401.15637	8.9
409.09131	3.1
411.10895	1.8
417.11731	8.6
434.24503	0.8
563.21210	100.0
564.21124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04343	1.2
55.01867	2.5
58.54796	1.3
65.03955	1.9
67.01866	1.3
67.05504	1.6
68.99779	8.3
70.90789	4.0
85.02946	1.4
91.05475	7.7
95.04964	5.7
97.02897	1.6
103.05490	1.5
105.40035	1.6
107.04948	100.0
111.00829	1.7
111.04458	3.4
115.05451	1.6
119.04090	3.2
119.04938	52.3
121.02858	17.2
123.04430	34.8
127.03908	4.6
131.04919	2.0
133.06471	5.3
135.04471	2.6
135.67525	1.4
137.05966	3.2
139.03896	39.2
145.06476	9.7
147.04402	54.7
149.02312	7.2
151.03880	12.3
153.01828	5.4
157.06497	5.1
161.05980	9.1
163.03889	8.9
163.26425	1.5
165.05476	7.8
167.03407	19.1
171.04387	8.6
171.08008	2.3
175.03830	7.5
177.05399	1.9
179.03375	12.2
179.07022	1.5
185.05957	3.9
187.03917	2.9
187.07497	3.5
189.05441	11.2
191.03360	14.4
193.04948	6.2
197.05991	2.0
199.07520	2.9
201.05429	4.4
203.03397	12.2
204.07570	3.2
213.05473	3.8
215.06989	2.0
217.04976	2.1
227.07083	4.2
229.04974	4.0
231.06514	24.6
233.04436	6.7
239.07056	2.4
243.06532	9.1
245.04338	6.9
245.08141	3.9
251.05566	2.2
255.06511	16.6
257.04492	12.8
257.06937	1.6
257.08173	2.3
259.06110	3.2
267.06534	6.4
269.04501	3.5
271.05972	5.3
273.07504	28.9
275.05530	21.5
281.08099	1.8
285.07590	22.9
287.05496	29.6
291.08591	14.6
299.05518	4.2
303.08575	1.7
320.05542	1.5
336.28543	1.5
351.10336	2.0
355.06308	17.2
365.11984	2.4
367.08313	1.5
373.12955	2.2
393.09634	20.9
395.11246	4.2
399.10907	1.9
401.15735	5.6
409.09277	8.9
411.10635	5.7
415.12570	2.0
417.11722	15.3
427.09875	1.7
433.84094	1.7
443.11707	1.5
549.98352	1.6
563.19897	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.01874	11.1
55.05506	17.5
57.03431	9.5
61.02928	2.6
67.05503	52.6
69.03413	6.3
69.07064	13.5
71.04985	5.6
71.34084	4.7
73.02912	2.3
79.05487	34.7
81.03416	19.3
81.07052	57.8
82.07368	2.4
83.04971	9.7
83.08602	7.5
85.02901	5.5
85.06549	2.4
91.05481	45.6
92.05790	2.2
93.07035	29.6
95.04969	16.1
95.08614	16.6
96.08959	1.9
97.02879	2.7
97.06534	6.5
97.10193	3.9
98.75684	2.2
99.04420	2.8
99.08135	2.3
105.07032	39.8
107.04974	5.9
107.08591	28.2
108.08918	3.0
109.06510	8.2
109.10149	43.6
111.04462	1.9
111.08066	3.5
117.07021	7.6
119.08574	11.5
121.06492	6.9
121.10133	9.0
123.08042	3.6
123.11691	8.2
124.30283	1.8
124.35030	1.8
125.09607	2.9
127.04060	2.4
127.07542	2.0
129.06993	5.0
131.08556	13.0
133.06456	6.6
133.10124	59.0
135.08020	7.7
135.11679	5.2
143.08536	5.4
145.06482	2.8
145.10101	5.4
147.07999	3.8
147.11697	5.4
149.09604	8.5
151.11174	23.8
157.10098	4.9
159.08046	3.1
159.11682	5.6
161.09595	5.2
163.11121	3.4
169.12212	5.6
171.11621	2.7
175.11179	4.5
179.10629	3.0
184.75281	1.8
193.12230	5.8
211.13225	3.9
215.12833	3.0
220.98352	1.9
245.18997	5.3
253.14345	92.4
255.17480	3.6
263.20041	2.4
267.15857	8.4
269.13693	3.5
271.15408	14.8
273.18536	16.2
285.16931	8.4
291.19620	13.8
347.22055	10.5
365.23230	100.0
459.26801	3.7
477.28458	12.2
544.36444	6.7
562.37317	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.9
55.01853	2.8
55.05512	11.0
57.03435	14.8
67.05505	21.3
69.03416	2.4
69.07047	5.7
70.13239	9.2
71.04958	2.7
74.11633	1.6
79.05493	18.7
81.03418	78.6
81.06647	2.0
81.07058	25.1
83.04978	12.0
83.08614	16.0
85.02906	8.7
87.75169	1.6
91.05470	24.6
93.07037	16.4
95.04966	25.4
95.08611	8.8
97.02850	3.6
97.06512	6.7
97.10175	5.0
105.07022	18.0
107.04919	7.9
107.08606	9.3
109.06527	2.8
109.10130	4.5
111.08083	9.7
117.06979	3.9
119.08578	18.1
121.06444	2.7
121.10145	11.3
125.09596	2.3
129.07016	8.4
131.08588	11.7
133.06497	3.7
133.10092	7.3
142.07756	4.2
145.10109	2.4
147.08057	4.4
147.11678	10.8
149.09590	5.5
157.10115	14.0
165.06091	1.6
175.09642	2.7
175.11118	12.5
183.08099	1.6
193.12228	32.1
198.08522	1.9
211.13297	19.8
249.14905	4.5
267.15909	100.0
273.14795	4.9
285.16956	21.5
341.21030	2.3
349.21274	2.3
351.24783	1.8
367.22537	11.4
385.23642	11.8
403.24725	4.2
415.24985	3.4
433.25665	7.5
441.26099	3.1
459.27377	50.8
477.28418	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29472	0.9
53.03948	5.5
55.01868	5.1
55.05509	27.6
57.03442	5.4
57.07077	3.0
57.17125	1.0
59.05009	1.8
61.22850	0.9
64.29774	0.9
65.03934	5.1
67.05503	92.5
69.03453	3.9
69.07066	22.8
71.04990	42.7
79.05492	64.0
81.03437	4.4
81.07056	100.0
83.04978	13.3
83.05377	1.3
83.08614	15.1
83.09045	1.4
85.02926	1.1
85.06542	6.8
91.05478	61.7
93.07043	66.7
95.04974	13.6
95.08607	46.4
95.09230	1.5
97.06522	10.7
97.10162	6.5
97.97655	0.9
98.20746	3.9
99.08119	3.3
105.07028	39.3
107.05017	3.1
107.08594	38.8
109.06525	5.8
109.10149	23.5
109.10910	1.1
111.04404	1.1
111.08108	5.2
115.05439	1.4
117.07014	13.9
119.08583	21.7
121.06513	1.6
121.10142	24.5
121.61135	1.0
123.08131	2.5
123.11700	15.9
125.09687	3.8
127.07529	1.5
129.07010	5.0
131.08565	20.2
133.06514	1.7
133.10126	33.7
135.08098	2.5
135.11690	18.1
137.09654	1.8
139.11198	2.0
143.07634	1.0
143.08517	5.0
144.09401	0.9
145.06523	1.0
145.10129	14.5
147.08084	1.8
147.11703	10.8
149.09680	3.1
149.13248	12.8
151.11171	13.7
151.12312	1.1
153.12807	1.8
155.08629	2.0
155.62958	0.9
157.10190	4.5
159.08182	1.5
159.11702	15.3
159.12779	1.2
161.09671	1.8
161.13295	5.1
163.11259	3.7
163.14903	1.0
165.12840	1.4
167.08659	1.0
167.14421	1.6
169.10179	2.1
169.12375	1.5
171.11766	3.7
173.13263	6.9
175.14928	2.6
177.12851	3.8
181.10277	1.4
181.12190	1.3
183.11794	3.1
183.13905	12.8
185.13374	4.0
187.13347	2.1
187.14929	2.8
189.11243	1.0
189.12881	1.1
195.12032	1.7
195.13904	6.9
195.15677	1.1
197.13374	1.6
199.14812	2.1
203.28560	1.1
209.13449	1.6
213.14819	1.5
227.12785	4.8
227.16463	1.7
243.21225	1.8
253.14333	6.6
253.18073	1.8
259.20642	2.6
261.22284	4.6
267.15994	1.2
269.17480	4.8
271.20483	1.3
273.18658	1.3
275.20068	6.4
277.21725	1.7
283.15665	2.3
283.19107	1.7
285.17096	3.8
289.21820	2.7
291.19467	4.9
293.21210	2.4
299.23904	1.3
315.23334	2.1
317.24750	1.6
329.24921	1.2
333.24472	1.2
335.26114	2.4
349.23871	1.7
361.27664	2.1
363.25455	2.8
419.33035	1.2
433.31027	1.1
437.34473	3.1
451.32132	1.5
455.35098	1.3
469.33200	2.1
487.34351	1.4
511.38028	2.4
517.38947	17.5
525.35901	2.2
529.38855	28.1
543.36829	11.4
561.41119	72.3
562.41412	1.5
588.06525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65804	0.7
51.02383	1.6
51.05211	0.8
53.03937	5.3
55.01870	2.8
55.05510	23.8
57.03434	4.0
57.07077	2.9
57.26803	0.7
59.04996	1.3
61.02918	1.2
65.03938	3.9
67.05502	85.2
69.03437	3.4
69.07068	18.9
69.43322	6.3
71.04989	52.4
71.08617	0.8
77.03889	1.2
79.05489	62.7
81.03424	2.6
81.07053	100.0
82.07401	0.9
83.04980	11.6
83.08618	12.1
85.06528	5.4
87.04424	0.9
91.05476	64.1
93.07040	69.6
95.04961	12.0
95.05463	1.0
95.08600	38.9
97.06525	10.1
97.10162	3.9
99.08111	2.4
105.04543	1.8
105.07025	37.0
107.04981	2.5
107.08591	36.9
108.08961	0.9
109.06531	5.9
109.10148	17.9
111.08052	4.6
117.07026	10.4
119.08578	15.4
121.06517	1.6
121.10135	24.8
123.08085	2.5
123.11702	16.9
123.12560	1.0
125.09647	3.1
129.07036	1.9
131.08565	17.2
131.09503	1.2
132.38197	0.9
133.10129	31.8
135.08028	1.2
135.11687	15.9
137.09650	1.4
139.11258	1.3
141.73076	0.8
142.07809	1.1
143.08606	1.5
145.10097	8.6
147.08115	0.9
147.11667	6.6
149.09686	1.7
149.13248	13.9
151.11163	13.3
153.12749	1.0
155.08612	0.7
157.10172	3.2
159.11682	13.5
159.12833	1.1
161.13329	3.3
163.11165	2.1
165.12852	1.2
167.14438	0.9
171.11703	2.0
173.13348	2.7
175.14827	1.6
177.12718	4.2
179.14291	1.1
183.13791	19.0
183.15271	1.3
185.13295	1.3
187.13301	2.1
187.14847	2.1
195.13783	5.8
199.14983	0.9
201.14854	1.3
201.16422	1.0
213.14885	1.7
227.12851	2.2
227.16521	2.0
243.21111	1.1
253.18042	1.4
261.22034	4.4
269.17740	2.7
275.20129	3.4
283.19141	2.5
285.17010	4.7
293.21277	3.2
317.24826	1.0
335.25793	1.8
349.27533	0.9
361.27463	1.7
363.25046	3.7
428.39783	0.9
437.34344	1.0
455.34851	1.0
517.38885	25.2
529.38959	9.0
543.37122	3.7
561.41333	70.4
562.41168	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	561.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03241	1.1
53.03936	4.2
55.01873	1.4
55.05509	20.0
57.03437	4.7
57.07085	2.6
57.78064	1.3
58.62435	1.3
59.04991	1.7
60.07541	1.2
65.03935	4.9
66.22018	1.2
67.05504	80.9
69.03428	2.0
69.07068	16.5
69.43472	6.6
69.43908	6.2
71.04586	2.8
71.04989	57.8
76.35217	1.1
76.93061	1.2
79.05490	61.8
81.07056	100.0
83.04980	10.8
83.08614	10.1
85.06563	8.0
91.05479	60.8
91.06062	2.0
93.07039	60.4
95.04955	8.1
95.08598	41.1
97.06522	9.2
97.10182	1.7
99.08107	2.3
105.04529	1.3
105.07022	32.1
107.04882	1.2
107.08592	34.3
109.06509	3.8
109.10159	15.0
111.08086	3.8
114.34351	1.4
114.88178	1.3
117.07027	11.9
119.08575	11.9
121.10134	24.9
123.11697	19.1
125.09605	1.7
129.07010	2.5
131.08559	14.4
133.10123	30.2
133.11067	1.9
135.11710	17.2
145.10159	5.6
147.11694	5.3
149.13274	13.7
151.11188	16.6
156.94229	1.4
157.10208	1.9
159.11662	12.1
161.13257	6.3
163.14769	1.5
171.11708	1.5
173.13280	5.2
175.14865	2.9
177.12759	2.8
183.13803	25.6
186.61050	1.5
187.13304	4.1
195.13817	7.1
199.18738	1.2
227.16431	2.9
257.17511	3.0
259.20578	2.0
261.22177	4.6
269.17657	3.1
271.20642	1.3
283.19177	3.9
285.16995	4.5
305.81949	1.2
335.25909	1.8
349.27319	1.7
361.27530	3.4
363.25504	4.5
423.84515	1.5
437.34116	2.2
517.38873	29.2
529.38800	14.0
561.41498	72.8
562.41931	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	561.3786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01874	4.5
55.05506	22.6
55.75871	1.4
57.03434	10.7
57.07076	4.1
59.05012	1.9
65.03953	2.2
67.05502	61.6
69.03426	3.0
69.07068	23.2
70.85897	2.3
71.04986	5.1
71.08625	5.8
79.05132	1.1
79.05491	51.6
81.03414	11.4
81.07053	100.0
83.04978	7.2
83.08615	13.0
85.02911	1.8
85.06542	5.7
89.15611	1.5
91.05476	65.0
93.07042	53.9
95.04958	14.2
95.08597	42.3
96.21382	1.4
97.06522	10.5
97.10174	4.6
99.08081	7.1
100.60779	1.4
103.05443	2.3
105.07024	72.6
106.07402	1.6
106.51096	1.4
107.04919	3.1
107.08593	39.6
107.09296	2.9
109.06509	8.7
109.10148	11.7
111.08086	4.1
117.07018	14.1
119.08574	59.2
121.06525	2.9
121.10133	29.1
123.08076	4.0
123.11711	22.6
125.09662	2.4
127.07535	1.6
129.05446	1.5
129.06979	10.1
131.08553	22.3
133.10114	29.8
135.08029	2.5
135.11685	18.0
139.11227	1.7
143.08549	6.1
145.10117	18.2
147.08063	2.0
147.11678	74.8
149.09590	5.2
149.13269	12.1
151.11182	4.6
155.08522	3.2
157.10129	9.7
159.11673	15.3
161.09584	2.0
161.13243	21.3
163.11174	3.8
163.14886	1.6
165.12747	24.5
171.11662	10.7
173.13243	10.4
175.11252	5.2
175.14857	7.2
177.12769	1.6
179.14310	10.9
183.11713	2.5
183.13857	2.5
185.13197	8.2
187.14861	3.6
189.12762	3.1
193.12279	4.9
195.13756	2.0
199.14864	4.0
201.16422	1.7
203.14470	2.5
209.11708	2.5
211.13222	3.7
211.14993	1.9
229.14388	6.0
231.21150	4.7
241.19518	21.5
257.18951	2.5
259.20560	42.5
267.15906	23.2
275.20059	5.5
277.21643	15.8
283.15253	1.9
285.16913	39.1
293.21136	2.5
301.21432	2.0
315.23203	5.0
333.24203	32.0
349.23383	3.3
351.25345	6.1
451.32013	5.3
463.30637	2.1
469.32980	4.4
515.37457	2.1
525.35852	7.1
543.36786	21.6
561.37787	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	561.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99156	2.4
69.03444	3.3
69.17558	2.4
69.21696	2.5
69.74647	2.4
71.60217	3.7
81.03401	4.4
81.07029	3.6
84.33408	2.9
85.02859	7.1
91.05465	4.2
97.02863	4.2
105.07000	5.4
109.02863	5.8
109.06553	2.8
110.06800	2.9
119.08603	2.7
123.04432	7.5
125.02319	4.5
127.03913	8.0
128.04272	3.8
133.10143	14.7
134.10458	6.3
143.03354	6.4
147.04369	5.4
147.11685	4.5
151.11162	7.5
152.11502	9.2
153.01823	100.0
154.02153	38.1
155.07008	3.7
171.02870	11.3
176.11526	3.2
193.12167	8.2
194.12564	6.3
211.13300	29.5
212.13629	24.8
212.26160	3.3
229.14371	7.4
230.14688	5.0
237.02786	3.3
243.14282	3.0
315.07202	18.0
316.07324	11.7
327.04672	3.0
372.08655	8.1
387.11142	7.9
390.10034	7.5
405.11685	2.9
417.12094	8.8
426.93170	3.0
502.72223	3.6
531.15186	8.7
535.85583	3.6
561.17505	82.2
561.31763	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	561.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	1.6
52.16224	1.3
53.03934	6.4
55.01852	5.7
55.05507	26.4
55.78098	1.5
57.03435	9.6
57.07051	4.3
58.53563	1.5
59.29034	1.4
64.16322	1.7
65.03931	2.3
67.05497	88.9
69.03411	4.0
69.07059	20.4
70.17345	3.3
70.17713	7.1
71.04987	22.4
71.08611	1.6
73.02899	1.8
75.53967	1.5
79.05486	72.3
81.03390	5.4
81.07050	100.0
83.04981	10.5
83.08611	14.4
85.06520	5.2
91.04889	2.0
91.05469	46.8
93.07034	97.3
95.04959	11.9
95.08596	80.4
97.02895	4.4
97.06528	8.4
97.10163	6.4
99.04426	3.4
103.05357	1.4
105.07025	35.1
107.04942	8.6
107.08582	58.3
107.81594	1.7
109.06495	4.7
109.10141	29.1
111.08065	4.3
113.06039	2.0
115.05417	2.1
117.06999	18.6
119.08562	25.3
121.06486	4.8
121.09306	2.6
121.10136	34.7
123.08051	3.4
123.11699	12.8
125.05939	2.9
125.09595	2.0
129.06964	4.3
130.07773	2.2
131.08551	16.1
133.09229	2.7
133.10132	29.6
135.08058	3.4
135.11681	52.6
137.13231	3.3
143.08549	3.6
145.09024	3.1
145.10109	39.0
147.11681	10.8
149.09579	2.1
149.13225	12.1
151.11139	8.0
157.10051	2.0
159.11647	11.8
161.13315	7.6
163.11171	51.6
163.14807	4.8
165.12769	2.2
169.10133	2.1
171.11632	1.8
173.13327	7.2
175.14793	2.4
177.12686	3.9
181.12183	8.8
183.12160	1.6
183.13794	5.8
187.14772	4.1
195.13727	2.5
206.35707	1.5
227.12759	85.0
233.15555	1.5
233.22508	1.7
243.21075	7.5
253.14236	4.0
259.20490	3.3
261.22134	28.9
273.32025	1.7
275.20059	2.3
283.15411	31.9
283.18448	2.4
285.16779	2.4
291.19534	5.1
313.70572	1.6
317.24640	10.8
335.25760	65.5
437.33826	2.3
451.31522	1.6
469.33530	2.0
517.38422	9.7
525.35944	2.0
529.38556	11.6
543.36676	33.6
561.41119	30.8
562.15472	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	561.1602
Annotation	Cassiaoccidentalin A
Peak:m/z	Relative Intensity
57.03421	3.4
61.15178	1.4
61.91883	1.5
70.09161	2.3
70.09575	5.7
71.04992	23.7
81.03387	1.5
81.07015	2.0
82.36342	1.3
85.02905	22.2
91.05469	2.1
95.08562	2.2
105.06951	2.1
123.04430	3.6
129.05446	4.5
129.62062	1.4
137.02316	3.2
146.39664	1.7
147.04460	2.9
163.03857	3.4
169.01335	2.3
191.99634	1.6
273.04013	3.1
289.03378	17.9
301.03510	3.2
314.03061	1.6
317.02838	15.4
318.03613	12.0
319.04376	5.8
399.10739	1.8
415.10214	100.0
561.29572	2.7
566.10376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41742	0.7
68.96816	0.7
71.58985	0.8
71.59337	1.1
71.96785	0.8
84.04487	1.0
90.00382	0.8
91.72101	1.1
92.59408	0.9
97.02851	1.6
116.98643	1.0
119.01906	1.5
120.95378	1.2
138.96376	0.8
155.01888	1.4
156.97441	4.0
157.03450	0.9
161.02922	1.2
173.02983	1.6
174.98538	6.8
180.97464	5.6
185.02991	2.9
198.98528	100.0
199.98769	1.7
201.00461	0.8
203.04172	1.1
210.98474	3.0
213.00133	1.2
215.04253	1.0
216.99583	48.6
219.01837	1.1
222.00114	3.1
222.98529	1.9
225.00095	1.2
227.01672	0.8
228.99574	9.6
234.98361	4.2
240.99551	12.1
243.01483	1.0
245.05025	5.0
247.00600	1.8
252.99548	2.6
259.00662	10.4
261.02850	1.7
271.00616	1.3
277.01691	3.2
279.03989	1.2
282.02176	1.2
283.00668	9.0
301.01666	30.7
319.02750	11.0
333.04617	1.0
342.04276	1.3
381.98087	1.0
443.44421	1.0
451.40298	1.0
463.06995	44.9
481.07751	3.3
538.72211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.0
55.01863	4.6
56.97046	1.1
57.03430	3.0
57.24750	1.4
61.02915	3.2
65.03928	1.8
67.05464	1.5
68.99783	1.9
69.03430	1.9
69.53531	11.1
78.53882	1.5
79.05482	2.3
81.03412	7.0
82.89851	1.2
85.02903	9.6
91.05495	5.1
93.03429	4.2
95.01301	1.5
95.04962	3.7
97.02897	11.2
98.20752	3.1
103.03910	2.7
103.05449	4.0
105.03381	2.6
105.07028	3.0
107.04951	27.9
109.02885	11.6
110.03633	1.6
110.71627	1.6
115.05428	2.4
117.07039	2.2
119.04915	10.1
121.02866	22.9
121.06505	10.3
123.04422	32.8
127.03909	4.1
129.07019	2.8
131.04898	5.5
133.06493	7.3
135.04416	22.3
137.02367	2.6
139.03922	6.6
141.07010	1.6
145.02885	1.6
145.06473	6.4
147.04407	28.7
147.05516	2.7
147.08061	2.9
149.02367	6.0
149.05965	4.6
151.03926	7.0
153.01814	3.4
157.06519	3.5
159.04419	8.6
161.02347	3.7
161.05949	9.1
163.03908	7.1
165.01839	8.1
165.05482	2.3
167.07042	1.5
169.06506	2.6
170.72437	1.3
171.04411	3.3
173.02342	1.4
173.06010	14.7
175.03902	8.0
175.07487	2.8
177.01819	12.9
177.05428	8.1
179.03525	2.0
181.04933	2.3
181.06477	1.4
183.02884	8.8
183.04286	1.6
185.05995	5.5
187.03899	9.2
187.07497	3.4
189.01793	18.7
189.05484	7.3
191.03458	8.2
191.05197	1.3
193.04942	2.6
195.02878	36.2
195.04596	2.1
197.05983	3.2
199.03960	3.0
201.01797	5.6
201.05463	24.5
201.07178	2.3
203.03372	16.3
203.06952	3.3
205.01343	2.3
205.05013	3.9
207.02888	18.0
209.04459	3.6
211.03969	1.6
213.05525	4.6
215.03395	20.1
215.07051	2.6
217.01311	4.1
217.04982	8.0
219.02876	24.9
221.00879	8.5
221.04436	9.6
223.02295	7.2
225.05481	5.8
227.03403	7.4
229.04958	32.9
231.02872	60.8
231.06604	4.0
233.04436	6.1
235.02385	3.1
235.06039	1.6
241.04974	6.1
243.02875	51.0
243.06485	8.4
245.04471	10.0
245.89986	1.5
247.02417	3.6
247.05917	6.9
249.03926	39.2
251.01715	1.8
253.04945	6.5
255.02913	13.6
255.06514	4.4
257.04437	32.0
258.05133	1.7
259.02283	8.3
259.05890	3.9
261.03943	32.9
267.02960	3.6
269.04465	15.2
271.02457	4.4
271.05994	18.2
273.03955	38.1
275.05554	3.7
279.05029	4.1
281.04431	7.6
283.02414	1.4
283.06042	7.2
284.06622	1.8
285.03946	100.0
285.07336	4.9
287.05432	9.9
289.03391	3.6
289.06937	1.7
291.04987	25.8
293.04379	1.9
295.06064	3.7
297.03943	25.1
297.07556	21.3
299.05466	21.5
301.03424	1.7
301.07153	1.7
303.04968	5.7
303.08401	1.4
307.04681	2.3
309.03366	8.3
309.07639	6.4
311.05438	4.9
313.07013	4.2
315.04950	19.6
317.06543	2.2
321.06030	2.6
323.05521	3.2
325.06003	1.8
327.04947	70.3
339.04990	13.7
339.08676	2.4
345.05991	19.8
351.04904	2.7
351.08655	28.8
351.34561	1.6
357.06064	17.8
359.08322	1.4
363.07074	81.1
369.05988	13.2
375.07068	10.6
381.09625	14.0
387.07001	15.1
391.08023	2.7
393.08862	23.8
405.08463	52.7
409.09171	18.0
411.10693	16.0
417.09433	12.0
421.09167	3.4
423.09259	26.8
427.10358	7.3
429.11841	53.7
435.10608	5.0
439.10666	2.5
441.10297	45.0
447.10733	35.8
459.10855	8.5
465.11798	13.9
471.10422	2.0
477.11765	12.5
483.12848	28.9
489.11847	5.6
495.12790	28.1
507.12924	16.5
513.13922	1.9
525.13947	21.2
543.14893	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01855	0.5
56.05028	0.6
57.03442	0.6
65.54114	0.4
67.05488	0.7
69.03433	2.4
69.07062	2.6
69.44626	4.3
70.06572	0.4
72.08139	1.3
74.06078	0.9
79.01849	2.1
79.05494	0.6
81.03419	5.5
81.07044	1.2
83.04958	0.6
85.02895	4.4
85.06544	0.9
86.03196	0.4
86.09689	0.6
91.05485	2.3
93.06515	0.5
93.07029	2.6
95.04929	1.3
95.08581	0.6
97.02902	3.9
98.20765	1.0
99.04440	0.6
105.07018	2.9
105.79926	0.6
107.01295	1.3
107.04874	0.6
107.08602	0.7
109.02338	0.4
109.02887	4.7
109.06506	2.2
113.68028	0.5
119.08532	0.6
123.04400	0.9
123.11697	0.5
125.02331	3.4
127.03920	7.1
131.08524	1.7
133.10123	15.4
135.00833	0.4
135.04248	0.4
137.05949	0.9
143.03375	6.0
145.04897	0.5
147.04343	0.5
147.11693	3.1
151.07487	0.6
151.11174	12.0
151.12338	0.9
153.01819	100.0
154.02162	0.6
155.07014	3.3
165.12782	0.6
171.02881	11.6
175.11194	1.7
193.12224	7.5
209.64789	0.5
211.13278	42.1
229.12074	0.7
229.14348	11.8
279.04959	1.0
297.05902	3.6
315.07101	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01867	6.8
55.05508	32.9
57.03436	10.1
57.07060	3.3
57.21662	1.9
65.03933	4.8
66.28922	1.6
67.05500	85.5
69.03429	4.3
69.07057	26.0
71.04991	27.1
79.05487	53.5
81.03411	8.8
81.07051	86.8
83.04974	8.3
83.08620	15.9
85.06542	5.2
91.05474	59.3
91.12184	1.7
93.07034	58.0
93.07623	3.0
95.04960	23.9
95.08599	38.9
97.02867	2.0
97.06500	11.5
97.10164	7.7
99.08105	2.9
103.19168	1.6
105.07027	57.8
107.04962	7.7
107.08582	34.0
109.06533	12.4
109.10144	16.3
111.08091	5.2
115.05448	3.4
117.07016	27.5
119.08572	34.2
121.06482	6.5
121.10133	21.2
123.08067	4.6
123.11695	6.0
125.09632	5.6
128.06209	6.7
129.06985	20.7
130.07750	3.1
131.08559	40.5
133.06506	3.7
133.10126	30.1
135.08034	7.3
135.11707	11.7
137.09639	2.5
139.11169	2.5
141.06978	9.2
142.07767	5.9
143.08553	23.4
144.09317	3.3
145.06491	3.5
145.10117	33.5
147.08063	4.7
147.11688	14.0
149.09618	6.9
149.13235	8.5
151.11166	5.4
153.06960	1.6
153.09100	1.8
155.08521	12.4
156.09251	2.5
157.10109	22.0
159.08043	3.4
159.11693	23.7
161.09592	3.7
161.13258	6.8
163.11084	3.2
165.12788	1.9
167.08528	4.7
168.09497	2.2
169.10106	14.5
171.11659	15.9
173.09676	1.9
173.13240	12.0
175.11188	6.2
177.12691	2.6
180.07867	1.8
181.10139	5.4
183.10292	2.2
183.11632	10.3
185.13251	17.6
187.11150	4.0
187.14841	5.4
189.16403	2.6
193.10187	2.0
195.11688	5.2
195.13747	2.5
197.13234	9.1
199.14793	8.8
201.12776	2.8
207.11682	2.4
209.13242	4.6
211.14868	2.5
213.16309	2.2
219.48952	1.7
221.13277	2.0
223.14886	3.3
225.16463	2.7
227.12668	2.9
237.16342	2.9
245.19077	2.7
267.15924	2.6
269.17441	6.0
271.20590	2.1
273.18503	13.1
275.20178	8.7
283.20636	2.3
285.19028	2.8
285.22028	10.3
291.19638	13.8
294.42184	2.0
297.22147	3.1
299.20084	2.8
315.23218	3.2
323.23401	2.1
341.24777	5.3
347.22125	4.1
417.31400	2.8
435.32620	11.1
436.32407	1.9
449.30350	2.2
453.33737	5.7
467.31305	4.5
471.34677	2.6
485.31711	1.7
509.36124	7.2
527.37317	100.0
528.37506	5.0
541.35040	11.7
559.39172	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	559.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.4
53.03940	8.2
55.01858	3.1
55.05509	25.4
57.03434	11.4
57.07063	4.4
65.03926	4.9
67.05502	90.4
69.03420	2.3
69.07064	20.5
71.04986	4.2
71.51420	3.6
74.09317	1.8
79.05487	87.1
81.03407	7.9
81.07051	82.6
83.04978	14.2
83.08611	13.2
90.40203	1.9
91.05476	71.6
93.07038	100.0
95.04966	26.2
95.08603	50.8
97.06516	7.3
97.10177	3.7
99.08061	2.9
105.07026	49.8
107.04950	7.1
107.08586	34.1
109.06502	7.4
109.10144	18.7
111.08042	3.5
115.82113	2.4
117.07014	12.8
119.08572	37.5
121.06477	2.5
121.10123	16.2
122.80032	2.0
123.08057	6.3
123.11715	5.3
128.06233	3.7
129.06982	18.0
131.08562	19.5
133.10129	19.0
135.11667	14.5
137.13271	2.8
141.06956	3.0
141.09213	2.4
143.08534	15.0
145.10124	17.7
147.08177	2.1
147.11678	44.1
149.13263	6.4
156.09314	2.7
157.10146	6.5
159.11688	9.8
159.34441	2.3
161.09601	6.4
161.13272	11.3
163.14828	3.9
169.10095	3.6
171.11705	33.0
173.13240	7.0
175.14819	2.3
183.11653	2.9
185.13177	3.6
187.14865	2.2
189.12665	13.8
195.11728	2.6
207.13815	28.9
225.14810	2.7
259.20667	1.9
261.21997	9.7
279.16003	3.9
281.17462	52.5
299.23495	2.3
317.24680	2.1
335.25836	52.6
367.26324	2.1
395.69028	2.2
449.33795	5.9
467.35153	7.6
485.36298	4.1
527.37317	3.1
541.30548	3.6
541.38910	73.2
542.39258	3.4
544.35028	2.2
559.40320	18.6
570.52252	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	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.9
55.01860	5.3
55.05511	29.2
57.03439	13.9
57.07063	2.7
65.03925	5.5
67.05505	97.9
68.42772	1.9
69.07066	24.9
69.36900	20.4
71.04985	4.9
79.05489	100.0
81.03423	10.0
81.07052	88.8
83.04993	12.8
83.08613	10.0
85.06549	3.3
91.05478	66.9
93.07039	99.2
95.04962	25.7
95.08601	65.8
97.06519	4.1
97.10165	7.0
105.07018	43.3
107.04948	8.4
107.08597	30.8
109.06490	5.2
109.10154	19.5
111.08082	3.4
115.05404	2.9
117.06996	14.5
117.07707	2.3
119.08574	29.5
121.06514	3.1
121.10133	26.8
123.08039	6.8
123.11674	6.5
126.29641	2.0
128.06213	2.8
129.07005	17.1
131.08577	18.3
133.06454	2.1
133.10153	15.4
135.11697	14.5
141.06966	2.7
143.08551	13.6
144.44942	2.1
145.10126	19.6
147.08073	2.5
147.11691	40.8
149.13213	10.6
155.08635	2.6
157.10107	4.4
159.11728	11.0
161.09578	5.5
161.13245	18.6
163.11133	3.5
163.14809	3.6
167.67397	2.2
168.99510	2.0
169.10112	5.1
171.11647	23.6
173.13269	7.2
175.14798	3.7
177.12817	2.8
183.11641	3.4
185.13315	4.1
187.14859	4.6
189.12772	9.2
197.13312	2.6
207.13785	23.2
213.16396	2.4
243.21176	2.3
261.22141	16.3
279.15887	5.7
281.17432	44.5
281.20297	3.9
317.24670	3.9
335.25775	57.1
379.84329	2.5
449.33893	3.5
467.35327	3.4
485.36145	5.3
541.38898	86.5
542.39044	5.1
559.40179	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
54.68384	2.0
55.01873	10.1
55.05259	3.6
55.05508	44.1
57.03439	10.4
57.07065	7.7
63.12794	2.2
65.03924	6.2
65.58990	2.0
67.05502	91.7
68.48818	2.2
69.03402	5.7
69.07065	33.2
70.55273	2.2
70.55624	7.0
71.04982	6.5
71.05588	1.9
72.50743	1.8
79.05489	81.9
80.05831	2.0
81.03410	19.9
81.07052	100.0
82.03774	1.7
82.07379	3.5
83.04987	12.5
83.08612	23.0
85.02897	2.2
85.06533	4.6
91.05473	69.6
93.07037	68.4
95.04952	25.5
95.08603	54.6
97.02917	5.6
97.06510	15.6
97.10175	16.3
99.08076	3.6
103.05476	2.3
105.07030	59.8
107.04954	15.5
107.08591	44.4
109.06531	10.8
109.10143	23.9
111.04440	3.5
111.08080	8.6
111.46871	2.0
115.05439	3.7
116.06231	2.1
117.07020	28.7
119.08574	41.1
121.06525	8.7
121.10123	25.0
123.08080	8.9
123.11679	8.7
125.09618	7.6
128.06200	6.6
129.06992	20.7
131.08556	43.0
133.06497	6.7
133.10120	30.6
135.08054	10.9
135.11682	23.7
136.22432	1.8
137.09570	2.7
137.13200	2.1
139.11111	2.5
141.06989	6.3
142.07790	4.4
143.08553	28.7
145.06465	4.1
145.10115	33.2
147.08055	6.1
147.11687	25.7
149.09628	6.5
149.13248	14.5
151.11157	4.6
153.06972	2.6
154.07729	2.3
155.08565	14.7
156.09373	2.4
157.10130	23.5
159.08058	4.8
159.11665	18.3
161.09586	7.4
161.13211	11.7
163.11140	13.4
163.14757	3.9
165.12741	3.0
167.08588	6.0
169.10129	18.5
171.11700	19.3
173.09657	2.6
173.11931	2.1
173.13225	11.0
175.11168	4.1
175.14821	5.4
177.12761	7.7
179.14342	3.8
181.10088	8.3
181.12325	2.4
183.11674	11.0
185.13257	12.6
187.11183	6.2
187.14836	6.9
189.11214	5.3
189.12772	3.9
193.12245	7.7
195.11711	4.7
195.13725	2.9
197.13258	7.0
199.11053	2.0
199.14809	8.0
201.16431	3.8
205.12186	3.2
207.11703	2.7
207.13756	6.0
209.13356	4.6
211.14856	5.5
213.16388	5.3
215.17937	2.8
223.14931	3.5
225.11198	2.3
225.16512	2.4
227.12738	26.3
227.14589	2.7
227.17914	2.8
229.19708	2.6
235.14796	2.7
237.16347	4.0
239.17967	3.4
241.19531	9.4
243.20935	2.8
251.55226	2.2
255.17487	2.3
257.18921	3.2
259.20554	14.4
261.22113	5.2
267.15894	12.7
273.18433	15.0
275.20065	25.6
276.20462	3.0
279.15973	4.8
281.17480	4.9
283.15323	12.2
291.19498	34.1
297.22067	5.4
300.73608	2.2
315.23117	6.0
325.25186	2.7
333.24353	15.2
335.25876	4.3
347.22290	3.0
349.23798	6.2
349.40482	2.3
431.33224	5.6
437.34009	6.5
445.29623	2.4
449.34546	16.9
467.35934	13.0
485.37100	9.8
523.37543	8.0
529.38934	15.1
541.39612	53.5
542.38177	2.6
559.37476	54.8
560.36603	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	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.1
55.05506	30.0
57.03431	9.9
57.07053	3.7
61.83587	3.8
65.03936	3.9
65.97095	3.3
67.05499	100.0
69.07062	22.3
69.25707	46.2
79.05489	91.4
80.24270	3.8
81.03427	8.7
81.07053	85.3
83.04971	15.7
83.08628	11.5
91.05470	73.6
91.20530	3.9
93.07034	99.2
95.04946	25.1
95.08599	53.6
97.06540	8.5
97.10148	8.5
105.07026	50.3
107.04951	9.3
107.08595	36.2
109.06528	5.8
109.10141	16.0
117.07044	9.4
119.08575	39.1
121.06536	4.9
121.10152	21.2
123.08099	7.1
123.11739	5.2
128.06201	4.3
129.07007	16.6
131.08565	14.2
133.10146	16.4
135.11688	11.9
138.59073	4.5
143.08583	13.3
143.26343	4.0
145.10120	14.8
147.11670	44.0
149.13300	6.0
151.66284	3.8
157.09967	4.3
158.55328	3.9
159.11681	9.3
161.09695	4.2
161.13293	11.9
169.10104	4.4
171.11697	36.6
173.13248	8.2
189.12758	12.7
207.13823	28.5
261.22116	9.7
263.07330	4.0
279.16019	7.5
281.17432	53.7
335.25769	54.6
352.26056	4.3
431.33060	4.5
449.34195	4.9
467.35220	8.2
468.05429	4.5
541.38831	74.7
559.39618	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.7
55.01873	14.7
55.05264	3.0
55.05509	42.5
57.03428	8.9
59.40569	2.1
61.26248	1.9
62.17792	2.1
63.01902	2.0
65.03935	4.6
67.05500	78.4
69.03414	5.3
69.07064	33.8
69.51292	2.3
69.51618	19.1
71.04622	2.6
71.04992	8.4
77.03902	2.5
77.25935	2.1
77.52577	2.5
79.05489	73.4
81.03412	70.4
81.07051	100.0
83.04975	13.7
83.08614	31.2
83.93349	2.6
85.02910	5.4
85.06545	3.7
91.05476	72.8
93.07047	54.3
95.04965	37.0
95.08597	43.3
97.06538	17.2
97.10153	14.1
98.21471	4.3
99.08084	4.0
103.05486	3.0
105.07022	57.2
107.04951	16.1
107.08588	36.2
109.06509	18.3
109.10149	22.6
111.04400	3.0
111.08088	9.3
115.05467	3.7
117.07000	26.8
117.28310	2.1
119.08563	48.0
121.06488	12.1
121.10153	24.0
123.04344	2.7
123.08065	7.7
123.11700	10.6
125.09609	14.6
127.07529	2.1
128.06201	5.6
129.07001	18.2
131.08562	30.4
133.06473	7.2
133.10124	29.9
135.08040	11.5
135.11729	11.3
137.09676	5.7
141.06975	4.8
142.07762	4.8
143.08586	14.5
145.06506	6.4
145.10112	24.9
147.08063	8.0
147.11685	24.1
149.09616	14.1
149.13220	6.6
151.11209	2.9
153.12686	2.3
155.08551	7.1
157.10132	18.9
159.08014	5.4
159.11722	14.4
161.09608	5.7
161.13292	7.5
163.11186	12.4
165.09180	2.7
165.12735	5.5
169.10117	7.8
171.11700	10.8
173.09595	4.6
173.13264	8.3
175.11134	12.9
177.12755	4.4
179.14305	3.4
181.10100	6.4
182.10968	2.4
183.11697	6.0
185.13297	6.5
187.11234	5.1
187.14745	3.4
189.11246	7.3
192.36563	2.8
193.10477	3.5
193.12202	19.0
195.11737	5.1
197.13278	4.7
201.12775	3.2
209.13278	3.2
211.13237	5.7
211.15057	2.9
221.15329	2.9
227.12794	8.8
229.19478	5.5
238.76637	2.3
239.17979	3.1
241.16225	2.9
247.20580	3.6
257.19049	10.1
259.20767	4.5
267.15842	20.6
273.18478	9.2
275.20050	51.4
291.19589	7.0
293.21115	8.3
299.20074	4.6
313.21759	5.5
315.23260	5.2
349.23669	12.9
353.24207	2.5
387.25354	3.3
431.29330	3.8
439.32242	2.6
449.30484	10.7
467.31577	12.4
469.69696	2.4
485.32532	10.0
513.35693	2.9
523.34308	6.0
541.35162	40.6
559.36267	79.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	3.0
53.03949	7.7
55.01870	18.8
55.05507	39.4
57.03433	17.7
57.07066	3.2
57.76107	2.6
65.03919	8.8
67.05499	94.4
69.03426	3.6
69.06723	3.4
69.07066	40.6
69.36601	30.1
71.04976	6.7
73.24673	3.0
79.05486	95.7
81.03410	42.2
81.07052	98.1
83.04993	16.4
83.08619	29.2
85.02917	5.0
85.06524	8.2
85.34332	2.9
86.50575	2.7
87.91636	2.7
91.05470	81.5
93.07036	100.0
95.01322	3.0
95.04967	37.4
95.08601	74.5
97.02906	6.8
97.06532	25.3
97.10152	13.6
98.21487	6.0
99.04454	4.7
99.08128	2.7
103.44189	2.7
105.07024	83.1
106.78326	3.4
107.04950	24.4
107.07872	3.6
107.08588	63.4
108.32693	2.7
109.06539	13.3
109.10151	21.1
111.08085	10.9
113.05997	2.9
117.07011	36.4
119.08582	68.8
121.06480	12.2
121.10126	30.1
123.08063	9.0
123.11717	8.4
125.05952	2.8
125.09623	10.8
129.07011	22.3
130.07739	3.6
131.08557	34.9
133.06438	4.7
133.10123	56.2
135.08060	10.8
135.11685	61.1
137.09619	7.9
139.07492	3.9
141.07033	3.6
143.08545	14.9
145.06465	6.7
145.10114	51.7
147.08052	9.6
147.11664	42.2
149.09619	12.5
149.13278	12.6
151.11171	6.8
155.08501	4.5
157.10056	14.8
159.11687	24.7
161.09628	4.8
161.13254	29.2
163.11183	60.9
169.10068	3.4
171.11707	16.4
173.09619	3.3
173.13246	12.8
175.11177	6.9
175.14807	16.1
177.12704	4.6
179.14323	6.3
181.10197	3.9
181.12213	12.4
183.11690	4.8
185.13271	8.1
187.11125	3.6
187.14821	5.9
189.11195	4.3
189.12793	6.0
193.12254	12.4
195.13736	6.7
197.13304	5.1
199.14763	6.7
205.09657	3.1
211.13269	6.2
215.17900	4.5
223.13319	3.6
226.06950	2.9
227.12764	95.8
231.20992	5.7
239.15450	3.7
239.17824	3.1
241.19507	30.9
247.20763	5.0
257.19031	7.1
258.48853	2.9
259.20551	58.7
267.15842	27.1
269.17697	4.2
273.18552	13.2
275.20035	43.0
283.15375	36.5
291.19595	17.3
293.21210	5.7
315.23193	7.8
333.24203	53.5
349.23773	9.7
421.55978	3.1
431.29083	4.5
438.39792	3.0
447.27335	4.2
449.30396	5.2
467.31525	6.3
475.31458	3.1
485.32739	6.8
523.33838	3.2
527.36780	3.7
541.35242	51.0
559.36359	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.9
55.01870	17.8
55.05260	3.3
55.05513	49.7
57.03434	17.1
57.07066	3.6
59.04990	3.5
64.22941	2.4
65.03928	5.9
67.05502	92.4
69.03424	5.7
69.07064	37.1
70.22546	10.3
71.04982	10.6
72.72394	2.1
79.05491	89.2
80.81355	1.9
81.03410	71.4
81.07052	93.4
83.04971	15.0
83.08626	38.2
83.16360	2.4
85.02899	23.0
85.06532	7.2
91.05477	83.7
93.07043	63.4
95.04970	48.0
95.08610	45.5
95.09197	1.7
97.06522	16.6
97.10168	19.0
98.20753	2.6
105.07027	80.0
105.17666	2.7
107.04935	20.9
107.08588	62.5
107.09283	3.7
108.27447	2.3
109.06521	19.8
109.07054	2.0
109.10151	27.7
111.04472	4.0
111.08062	12.4
113.06007	7.7
115.05441	3.6
116.06257	2.7
117.07009	25.6
119.04919	2.6
119.08576	49.2
119.42558	2.8
121.06527	14.0
121.10135	24.5
123.08080	7.9
123.11723	7.5
125.09628	16.4
128.06215	5.8
129.06985	19.6
131.04945	4.4
131.08565	38.6
133.06522	6.8
133.10118	35.2
135.08047	16.8
135.11736	11.2
137.09624	5.9
141.06952	5.6
142.07751	6.2
143.08562	18.7
145.06496	5.0
145.10127	34.0
147.08043	7.1
147.11679	29.8
149.09624	26.5
149.13297	5.1
151.11203	6.2
153.09178	3.4
155.08569	6.9
157.10123	22.5
159.08040	6.8
159.11661	18.4
161.09642	8.6
161.13264	7.5
163.11224	12.2
165.06952	2.8
165.09137	2.5
165.12794	6.9
169.10165	9.9
171.08115	2.7
171.11670	11.6
173.09630	3.5
173.11835	4.5
173.13158	11.3
175.11131	17.3
177.12727	5.9
179.14328	7.1
181.10110	4.2
183.11739	8.5
185.09557	2.8
185.13281	6.9
187.11273	4.9
189.11240	9.3
189.12764	3.3
193.12236	36.7
195.11751	3.4
197.13249	5.9
199.11148	3.3
199.14909	5.9
201.12810	4.4
211.13243	31.8
211.14954	3.1
221.13216	3.0
227.12791	9.4
229.14252	2.6
229.19530	4.6
239.18123	3.4
249.14781	2.8
257.18997	14.3
267.15836	21.5
273.18539	9.4
275.20044	69.9
285.17007	3.3
291.19467	14.2
293.21048	5.9
297.22284	6.5
299.20099	7.3
315.23376	6.6
317.21219	3.5
331.22784	4.9
349.23730	12.0
355.22656	3.1
431.29260	7.8
449.30670	8.8
461.28360	2.8
467.31613	12.0
485.32684	7.5
523.33942	6.0
535.05383	2.8
541.35236	53.9
559.36322	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	559.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70810	1.1
53.03939	4.8
54.98396	1.0
55.01875	7.2
55.05261	2.0
55.05514	28.1
56.76026	1.0
57.03443	6.6
57.73288	1.1
60.22694	1.1
64.53625	1.4
65.03931	3.3
66.21050	1.1
67.05502	62.7
69.03431	11.0
69.07065	38.9
69.88747	3.8
69.89176	2.9
71.04990	4.6
73.06569	1.2
76.84618	1.1
79.05491	45.6
81.03419	7.3
81.07054	68.1
83.04973	9.5
83.08615	14.1
85.06536	3.0
91.05476	35.2
93.07040	48.4
94.11277	1.1
95.04960	15.2
95.08603	27.0
97.02878	8.9
97.06533	9.5
97.10175	11.7
98.20879	2.0
98.40671	1.1
99.08077	1.7
103.05459	1.8
105.04548	1.7
105.06370	2.2
105.07032	23.9
105.93297	1.1
107.04929	6.4
107.08591	28.5
109.06483	6.1
109.10149	15.3
111.08086	5.7
115.05419	1.8
117.07015	14.0
119.08585	18.6
121.06519	5.1
121.10147	15.1
123.08070	4.8
123.11734	2.5
125.09624	9.3
128.06221	2.3
129.07001	6.3
130.07762	1.6
131.08575	14.1
133.06517	3.7
133.10118	11.7
135.08018	6.0
135.11693	7.7
137.09604	2.2
138.19240	1.3
141.07014	1.7
143.08594	5.7
144.31683	1.4
145.06493	1.8
145.10106	9.3
147.08041	3.8
147.11652	6.0
149.09633	3.1
149.13255	13.8
151.11192	3.6
153.09142	1.9
155.08572	2.2
155.21323	1.4
157.10133	3.5
159.08119	1.4
159.11673	9.5
161.09677	3.2
161.13162	2.4
163.11235	3.1
165.09123	2.1
169.10144	1.4
171.11697	4.0
173.09706	1.6
173.11699	1.2
173.13214	2.8
175.11180	2.9
177.12773	4.0
185.13278	2.5
187.11157	1.7
189.11266	4.2
193.10217	1.5
193.12050	1.2
195.12213	1.2
195.13744	6.3
197.13213	1.2
205.12239	1.8
213.14905	1.3
223.13272	17.6
227.12817	3.7
245.19113	2.2
246.63167	1.2
255.17484	1.2
267.15985	2.5
269.17557	2.5
273.18484	17.0
273.21234	1.5
275.20126	3.9
291.19531	100.0
292.19815	1.5
293.42786	1.3
309.20642	1.7
315.23291	2.7
347.21912	2.7
365.23203	1.6
467.31879	2.7
485.32233	2.0
515.46838	1.2
520.65527	1.2
541.35461	10.1
559.36298	91.9
560.36029	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	559.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.9
55.01876	18.6
55.05507	57.3
57.03429	11.5
65.03931	4.2
67.05164	5.9
67.05501	81.3
69.03426	8.7
69.07067	44.8
69.52547	25.6
71.04979	10.4
79.05490	75.0
81.03418	62.2
81.07051	100.0
83.04979	15.2
83.05408	2.9
83.08620	42.4
84.53024	3.0
85.02911	6.3
85.06524	5.6
85.55286	3.0
86.59155	3.0
91.05479	82.5
93.07041	62.1
95.04962	38.3
95.08595	37.9
97.06528	17.2
97.10165	33.4
98.21513	3.4
103.05479	3.9
105.07030	65.3
107.04944	19.4
107.08588	51.1
109.06506	22.0
109.10142	28.5
111.04419	4.4
111.08072	12.3
115.05378	3.2
117.07021	31.8
119.04891	4.2
119.08579	50.0
121.06535	9.1
121.10143	27.7
123.08089	8.5
123.11691	16.2
125.09649	34.3
128.06219	4.7
129.06984	23.5
130.07829	3.6
131.04921	3.8
131.08557	42.2
133.06488	6.7
133.10138	35.4
135.08067	11.6
135.11673	10.1
137.09636	6.8
139.52808	2.9
141.06990	5.1
143.08534	17.9
143.10703	3.9
145.06438	7.3
145.10121	35.2
147.08022	9.3
147.11693	40.4
149.09583	23.5
149.13266	8.6
151.11127	3.3
155.08553	9.1
157.10121	24.9
159.08107	7.9
159.11681	16.3
161.09612	8.6
161.13298	4.8
163.11218	15.9
165.12758	4.3
168.67081	3.2
169.10130	14.1
171.08113	3.7
171.11697	10.9
173.09613	7.9
173.11923	3.7
173.13272	11.5
175.11180	9.7
177.12820	3.9
179.14320	4.6
181.10069	4.5
181.12177	4.2
183.11679	11.1
185.09616	5.1
185.13286	8.5
187.11186	12.3
187.13187	6.0
187.14827	6.1
189.11214	27.2
193.10667	2.9
193.12265	23.0
195.11681	7.7
197.13303	10.2
205.12274	3.0
207.13585	3.3
211.13206	6.8
213.12776	6.2
227.12692	24.8
229.19432	4.4
239.18063	3.3
249.14821	5.1
249.55049	3.5
257.19000	9.4
265.22217	3.2
267.15863	34.1
273.18567	10.9
275.20038	57.1
281.19073	3.3
291.19617	5.4
293.21170	4.6
297.22122	3.5
299.20236	17.3
313.21640	4.2
315.23169	9.8
317.21021	7.0
349.23743	17.7
373.23978	7.4
431.29254	9.4
447.27527	4.6
449.30362	13.6
458.73303	3.2
467.31570	28.5
485.32538	12.9
523.34131	8.9
541.35187	77.6
550.45386	3.4
559.36304	85.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
55.01862	6.7
55.05507	34.1
57.03432	5.5
57.07057	3.7
59.04988	1.0
65.03926	2.5
67.05502	69.6
69.03420	8.5
69.07061	38.4
71.04996	5.2
71.05304	1.0
73.02894	1.3
77.03914	1.1
79.05487	54.5
81.03411	7.4
81.07051	75.3
83.04983	8.1
83.08611	18.0
85.06527	3.7
91.05473	41.5
93.07037	53.1
95.04963	15.9
95.08598	29.7
97.02877	9.5
97.06528	10.3
97.09598	1.6
97.10166	15.4
99.00829	1.1
99.08057	1.8
103.05449	1.7
105.04509	1.7
105.07021	28.2
107.04942	9.3
107.08583	35.2
107.63944	1.1
109.02869	2.3
109.06507	6.4
109.09440	1.6
109.10145	16.2
111.04425	1.4
111.08069	6.4
115.05459	2.8
117.07007	13.6
119.04907	1.6
119.08568	23.1
121.06472	5.6
121.10131	18.6
123.07989	5.0
123.11687	5.4
125.09648	8.6
128.06223	1.9
129.07030	6.1
130.07759	1.9
131.05028	1.2
131.08560	19.9
133.06456	3.0
133.10115	18.6
135.04544	1.0
135.08047	5.5
135.11685	11.0
137.09584	3.1
141.06950	2.2
142.07788	1.8
143.08542	7.6
145.06430	1.6
145.10104	12.0
147.08026	5.5
147.11697	8.0
149.09604	4.2
149.13243	19.3
151.11163	3.7
153.09154	2.0
153.12756	1.2
155.08565	2.5
157.10072	7.0
159.07988	2.9
159.11685	12.3
161.09653	6.2
161.13260	3.5
163.11148	3.0
165.09119	2.1
165.12624	1.2
169.10153	3.4
171.08015	1.4
171.11705	5.7
173.13220	3.2
175.11211	4.0
175.14844	1.5
177.12769	4.7
179.10664	2.2
181.10165	1.3
181.12190	1.4
183.11708	1.8
185.13260	3.7
187.11214	2.3
187.14775	1.0
189.11171	5.7
189.12718	1.1
195.11911	1.4
195.13806	5.1
197.13248	1.9
199.14894	1.5
204.85622	1.0
205.12204	2.1
207.10144	1.0
223.13255	15.3
227.12756	2.8
229.81279	1.3
234.58615	1.1
245.18910	1.7
249.14850	2.2
255.17349	1.4
257.19028	1.4
261.21939	1.3
267.15930	1.9
269.17496	3.1
273.15756	1.8
273.18518	19.8
275.20035	3.5
277.21619	1.1
281.13757	1.7
287.23544	1.7
291.19522	83.1
292.20050	1.4
297.22223	2.2
309.20358	1.1
315.23166	4.3
347.22205	2.2
353.25250	1.0
354.33322	1.1
365.23288	2.4
421.30896	1.7
439.32388	1.3
449.30795	4.1
461.28867	1.6
467.31458	6.3
485.32520	3.6
513.35760	4.2
523.34247	1.9
527.37128	3.2
531.36786	4.6
541.34930	12.2
556.63916	1.3
559.36200	100.0
560.36169	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	559.3627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40993	1.6
53.03935	7.3
55.01862	9.4
55.05258	2.8
55.05508	42.1
57.03417	6.8
57.07064	3.8
57.22538	1.5
65.03924	5.4
67.05500	86.5
69.03419	6.6
69.07061	27.1
70.55844	2.5
70.56197	5.4
71.04977	6.1
77.03934	2.0
79.05488	70.3
81.03421	11.0
81.07051	100.0
83.04967	9.7
83.08612	21.6
85.06534	6.1
91.05474	69.2
93.07035	70.5
95.04960	21.7
95.08601	42.9
97.02912	2.8
97.06514	10.0
97.10176	11.0
99.00786	2.3
99.08048	2.3
103.05436	1.8
105.07022	46.7
107.04945	9.7
107.08588	47.4
109.02862	2.8
109.06512	14.1
109.10150	25.4
111.08037	11.4
113.06016	3.2
115.05458	1.8
117.07010	21.2
119.08565	26.6
121.06499	8.8
121.10143	20.4
121.72532	1.9
123.08065	6.2
123.11710	6.8
125.09621	6.5
129.07011	10.0
131.08565	25.2
133.06461	6.0
133.10120	42.2
134.10538	1.7
135.08043	10.9
135.11681	15.0
137.05978	2.6
137.09554	3.2
139.07547	2.9
143.08543	11.8
145.10118	17.5
147.08022	4.8
147.11661	13.1
149.09627	9.5
149.13235	18.8
151.11186	16.9
155.08527	4.2
157.10109	9.5
159.08087	3.0
159.11662	15.9
161.09639	10.9
161.13268	6.9
163.11180	5.2
165.12706	3.1
169.10136	4.7
169.12257	2.2
171.08011	2.9
171.11703	7.1
173.09589	3.7
173.11919	1.9
173.13278	6.1
175.11166	5.8
175.14935	2.5
177.09082	2.4
177.12753	5.1
179.10643	4.9
181.10117	2.2
183.11740	5.2
185.13258	6.5
187.11206	2.1
187.14867	3.3
189.11122	2.1
189.12752	2.2
193.12360	2.5
195.11702	3.0
195.13812	6.1
197.13304	2.9
199.14859	2.8
207.11855	2.2
227.12697	4.2
245.18983	5.2
246.19571	1.8
250.32411	1.9
253.14319	3.1
255.17429	3.1
257.18945	1.9
259.20547	3.0
261.22189	4.8
263.20203	3.1
267.15878	4.7
269.17404	5.8
273.18463	24.4
275.20074	10.2
277.21628	2.1
277.67416	2.3
281.13828	3.9
287.23666	3.0
291.19525	30.8
309.20389	2.8
313.21362	1.9
315.23267	9.4
347.22174	7.0
421.30936	5.7
439.31921	4.7
447.27594	3.1
449.30548	7.4
467.31396	11.2
485.32434	10.1
502.82126	2.1
513.35767	14.0
531.36511	8.5
541.35144	29.7
559.36237	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	558.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.2
56.33857	1.3
58.04973	1.3
69.03437	3.3
70.06586	2.0
71.04991	1.9
71.59446	2.0
74.08239	1.5
79.05491	6.8
79.12505	1.4
81.03392	2.6
83.04938	1.4
85.02902	9.9
91.05473	15.2
93.07040	3.2
94.04145	1.7
95.04937	4.4
97.02882	3.0
99.04401	1.6
101.80098	1.4
103.05460	13.4
105.07026	11.6
107.04275	2.2
107.04945	25.9
107.08566	3.3
107.58678	1.4
115.05425	4.4
116.06256	1.5
117.06991	1.6
119.04946	17.7
119.08592	2.3
121.06506	8.2
121.10143	1.5
122.03608	5.3
123.04424	15.2
127.03908	3.1
128.06201	1.7
129.06990	8.1
131.04924	16.8
131.08582	10.1
133.02853	2.7
133.06499	8.0
135.04385	2.2
135.08051	6.2
136.05081	1.4
137.05971	84.7
139.03888	3.1
145.06532	3.4
145.10092	2.4
146.07254	3.1
147.04410	15.5
147.07986	2.0
148.05193	1.6
149.06003	12.1
149.09605	5.0
150.06718	2.8
151.03777	1.5
151.07532	47.2
153.01802	9.5
157.06477	5.0
159.04361	1.4
161.05975	88.0
161.09605	16.6
162.06755	7.9
163.03903	3.7
163.07536	50.7
163.67242	1.3
165.05467	3.7
165.06961	2.5
165.09155	2.5
167.07088	2.3
167.08514	2.6
173.05893	1.8
174.06743	3.8
175.03973	1.4
175.07538	11.4
177.05501	2.5
177.09064	3.9
179.07019	5.2
181.08580	15.1
185.06004	1.9
185.56252	1.3
188.04652	3.4
189.07361	2.7
189.09093	55.3
191.07042	2.8
191.10677	4.3
193.10168	1.5
195.08032	5.6
195.09781	1.7
197.05920	1.3
201.05345	2.2
201.09018	1.7
203.03470	1.6
203.06934	1.7
207.10156	100.0
209.11702	14.4
212.08359	2.2
213.05417	2.0
215.03397	1.5
217.04922	4.2
219.10126	6.0
221.05978	2.2
221.09595	3.4
223.07632	3.5
225.09090	2.6
227.10651	11.7
229.04964	2.7
230.05768	2.0
237.09111	1.7
241.04884	2.3
244.03595	6.4
245.04457	13.8
253.05051	1.7
253.08543	5.1
253.12224	5.4
255.10187	9.4
257.04318	2.4
258.05136	2.3
259.06091	3.7
265.08563	1.7
269.04340	2.4
269.08145	2.3
275.05533	2.8
281.11734	4.0
284.10306	2.1
285.03687	1.6
285.11240	11.5
287.05469	2.7
287.12741	32.6
297.11270	3.2
299.05444	2.5
299.12714	6.2
300.49844	1.3
301.03253	1.6
311.12857	13.6
313.10883	2.7
313.14328	37.5
315.06958	2.2
317.06467	2.1
325.14352	2.9
331.04358	4.9
331.15384	81.7
343.15512	7.7
354.23209	1.4
366.37027	1.3
396.08585	1.6
407.06094	36.6
430.04492	1.6
449.88113	1.4
559.10742	11.5
584.96442	1.5
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
55.01847	5.7
61.69960	6.0
64.52810	5.0
69.03427	6.8
69.28757	23.1
69.29186	40.9
70.54810	5.1
71.04939	5.5
73.53991	6.0
78.05275	7.2
81.03434	11.0
85.02902	16.2
87.97586	5.4
91.05482	14.7
95.50880	5.4
97.02894	9.2
103.05466	18.5
103.85403	5.4
105.07038	18.9
107.04967	20.2
107.90596	5.5
115.05522	7.4
119.04931	11.1
121.06489	10.8
123.04416	8.1
127.03957	7.1
128.44711	6.2
131.04935	16.0
133.02861	14.7
133.06531	14.0
135.08054	14.5
137.05969	100.0
147.04404	20.5
149.05989	16.3
151.07541	30.6
153.01833	8.3
161.05981	62.7
161.09627	9.1
162.06740	6.9
163.07512	40.0
165.09076	11.9
175.07475	10.1
179.07072	18.3
181.08618	13.3
181.15311	6.2
189.09056	32.6
191.07060	12.3
207.10196	77.8
241.96434	6.2
242.43050	6.2
245.04558	7.0
260.77689	6.3
287.12924	9.9
291.12256	7.0
313.14307	9.6
331.15421	32.7
334.85101	7.5
407.06058	8.1
441.72534	6.2
461.08212	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	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71790	3.8
57.03423	5.2
63.05317	3.5
66.07872	4.0
68.84222	3.6
69.03417	8.2
69.28911	42.8
69.29240	9.1
81.03418	6.3
85.02911	16.2
91.04035	3.6
91.05475	15.2
97.02895	4.6
103.05477	11.0
103.66155	3.7
105.07031	17.6
107.04944	24.6
119.04917	8.8
121.06525	7.0
126.58389	4.0
127.03900	6.1
131.04935	14.8
133.02844	11.6
133.06474	17.1
135.08029	9.3
137.05980	99.8
145.05057	4.8
145.06444	4.8
147.04407	17.8
148.05115	3.8
149.05974	20.9
150.06787	5.3
151.07539	32.3
157.06465	5.1
161.05975	68.8
161.09583	12.9
163.07524	55.8
165.05435	6.3
175.07526	11.2
177.05441	5.1
177.09134	4.0
179.07031	22.1
181.08636	15.3
187.07533	4.4
189.09122	33.2
191.07054	12.3
195.08041	4.7
203.06985	5.7
207.10144	100.0
221.06018	5.4
229.08824	4.8
249.11226	4.6
253.12216	4.2
261.11533	5.1
273.11298	6.3
285.11224	6.5
287.12881	11.3
291.12256	13.0
309.13077	6.0
311.12827	6.0
313.14362	13.7
319.37497	3.9
331.15399	42.3
343.15347	10.0
348.99844	4.1
395.03961	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	558.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89443	2.5
55.05505	3.1
67.05508	3.2
69.03403	4.8
69.07062	3.5
71.04969	7.7
77.03902	2.6
79.05477	15.7
79.27370	2.7
81.03423	3.9
81.07055	4.9
83.04994	3.2
85.02889	10.0
91.05465	29.6
93.07038	12.9
95.04958	4.7
97.02892	4.4
99.14308	2.8
103.05472	12.5
105.07048	18.8
107.04951	29.6
107.08601	17.2
109.02859	3.3
109.06506	3.5
115.05437	6.4
117.06987	4.9
119.04955	13.5
121.02877	4.5
121.06505	20.1
121.10191	6.3
122.03674	3.3
123.04424	9.7
123.08073	3.6
125.06038	3.1
125.89746	2.8
127.03896	3.4
129.07016	9.2
131.04942	17.8
131.08560	76.5
133.02855	6.6
133.06490	5.2
135.04378	4.4
135.08018	7.8
137.05971	97.4
145.04927	3.2
145.10088	17.5
147.04407	19.9
148.05165	3.6
149.05969	12.2
149.09613	26.5
151.07538	52.2
153.01828	25.0
153.05417	4.0
157.06497	5.5
161.04631	4.6
161.05981	89.2
161.09607	19.2
162.06729	5.6
163.03900	2.9
163.07541	51.3
163.08887	1.8
163.11195	9.3
165.09065	4.2
174.06694	4.1
175.07533	10.6
177.09203	3.5
179.07076	5.6
181.08575	14.5
189.09090	55.7
191.07088	3.9
191.10619	23.7
195.08061	5.4
207.10155	90.4
207.12062	5.9
209.09732	5.9
209.11719	100.0
219.10172	7.6
221.05981	3.9
223.07535	5.0
225.09151	4.3
226.98535	2.9
227.10695	10.2
253.12167	4.9
255.10143	7.3
263.00800	2.7
267.10077	3.2
281.11844	5.4
285.11246	11.9
287.05765	3.3
287.12762	36.1
297.11185	3.6
299.12747	3.2
301.14191	2.8
311.12784	11.2
311.36636	3.1
313.14307	35.5
315.07251	4.4
331.15375	73.7
343.15399	8.0
397.98901	2.9
517.43005	2.9
558.09875	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	557.602
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	18.8
57.07072	41.6
59.06121	4.0
67.05497	35.0
69.07059	35.0
69.90525	17.9
69.90950	6.5
71.08631	29.4
81.07048	70.2
83.08612	29.7
83.92072	3.5
84.70921	3.8
85.10178	20.4
85.33557	3.6
95.08607	100.0
97.10172	31.2
101.84116	3.5
109.10152	61.0
109.88284	4.3
110.07145	6.6
111.11707	26.1
112.08688	4.7
123.11697	28.6
125.13227	11.1
136.08768	4.4
137.13245	12.8
151.14830	10.2
165.16412	6.4
200.88358	3.8
264.54721	3.5
291.30515	3.7
303.51160	4.3
361.38449	5.0
502.43689	3.8
515.14600	3.8
540.87543	4.0
557.60107	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18690	1.4
67.05497	2.0
69.03407	2.3
69.07053	3.7
71.05000	8.0
71.59560	2.9
79.05484	11.3
81.07032	1.5
83.04942	1.9
85.02888	2.8
90.64648	1.5
91.05486	11.6
93.07042	9.1
95.04929	2.0
97.02894	2.0
98.42030	1.5
103.05466	2.4
105.07023	8.5
107.04945	8.9
107.08583	13.7
109.02891	2.1
109.06467	3.0
110.39812	1.3
116.06223	1.8
117.07016	2.8
119.04917	4.2
119.08533	2.8
121.02877	3.1
121.06483	11.2
121.10142	6.6
123.04396	2.8
123.08059	1.8
125.05964	2.6
126.93532	1.7
127.03906	2.6
128.06200	1.6
129.07040	2.3
131.04878	5.2
131.08557	69.4
133.06458	1.5
135.08043	3.3
137.05969	20.0
139.13783	1.5
143.03423	1.7
145.10114	12.8
147.04401	4.3
147.08043	1.5
149.05894	4.1
149.09612	24.4
151.07530	12.3
153.01813	24.0
153.05370	3.4
161.05981	15.5
161.09636	2.1
163.07561	11.2
163.11122	10.6
165.05540	1.8
167.06989	2.1
171.02971	2.2
173.09688	1.9
175.07344	1.7
181.08620	2.7
189.09091	12.0
191.10648	19.5
195.01860	1.5
195.08049	1.7
207.10170	19.0
209.11717	100.0
210.12050	2.3
226.98715	2.2
244.99701	1.9
255.10271	2.4
258.49411	1.8
263.00751	2.7
287.12769	6.4
297.06027	1.8
311.12704	2.3
313.14282	5.0
315.07141	4.9
331.15283	15.1
558.08997	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.2
53.03937	15.3
55.01873	7.5
55.05511	29.4
57.03426	7.9
57.07073	8.6
65.03931	7.2
67.05499	100.0
69.03428	4.8
69.07063	22.0
71.04993	4.7
71.08625	6.3
71.59781	3.7
74.57334	2.2
79.05487	73.1
81.03405	29.6
81.07048	87.7
83.04982	10.6
83.08605	15.9
85.06551	4.7
85.10149	2.2
89.06025	2.4
91.05470	61.7
91.06001	3.8
93.07035	76.0
95.04961	23.5
95.08596	54.4
97.06509	11.6
97.10169	10.8
99.08076	4.5
101.02352	2.2
103.05466	3.6
105.07020	40.0
105.07663	2.9
107.04951	24.7
107.08582	32.2
109.06503	9.9
109.10165	21.0
111.08072	6.3
114.74545	2.9
117.07011	26.6
119.08556	25.2
121.06502	8.8
121.10144	23.8
123.04390	4.0
123.08031	12.1
123.11718	3.8
125.09631	4.6
128.06340	2.2
129.07007	12.1
130.07796	3.8
131.08537	27.6
133.06514	5.3
133.10121	23.3
135.08034	5.5
135.11682	30.5
137.09639	2.6
141.06992	7.9
143.08517	10.8
145.06464	11.1
145.10106	18.9
147.07948	3.0
147.11688	11.8
149.09605	4.4
149.13200	15.2
155.08585	4.2
156.09308	2.3
157.10056	11.1
159.08037	6.3
159.11678	27.5
161.09570	4.1
161.13261	5.5
163.11201	3.1
163.14818	4.1
169.10152	8.7
171.11700	9.3
173.11815	2.6
173.13255	6.2
177.12726	11.1
179.14342	6.6
181.10167	2.6
183.11731	5.2
187.11143	14.6
187.14864	5.1
189.11256	3.3
195.11737	2.9
195.13844	6.8
197.13318	3.0
205.12253	7.7
207.13742	2.5
209.11562	3.0
213.16559	3.0
223.13303	10.3
227.12747	3.1
240.48688	2.4
241.14308	18.8
243.21199	3.5
261.22134	13.5
273.18585	3.4
275.19949	3.4
277.21710	5.4
279.15903	74.6
289.17999	4.0
291.19550	9.5
313.21722	3.1
318.91339	2.4
379.12119	2.2
423.28165	2.3
447.32715	5.4
465.33713	6.6
467.37228	8.4
483.34854	6.0
539.37659	22.8
557.38806	74.8
557.52484	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	557.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.4
55.01851	3.2
55.05511	24.1
57.03430	8.2
57.07070	4.7
63.21691	1.9
67.05505	46.2
69.03428	2.5
69.07075	15.9
70.01965	6.2
70.02364	4.0
71.04993	3.7
79.05490	33.6
81.03428	4.5
81.06588	2.3
81.07058	40.7
83.04979	3.3
83.08603	11.9
85.02851	2.0
85.06548	2.8
85.22585	1.8
91.05471	30.1
93.07047	35.3
95.04964	8.2
95.08612	27.4
97.06512	4.0
97.10152	9.1
105.07026	28.9
107.04971	6.3
107.08584	18.8
109.06498	3.1
109.10151	15.0
111.08097	2.5
117.07030	18.4
119.08583	25.3
121.06490	2.6
121.10121	9.9
123.08087	4.6
123.11710	3.6
125.09660	3.7
128.06226	3.8
129.07010	17.3
130.07773	2.4
131.08553	29.8
133.06401	2.7
133.08586	2.6
133.10139	15.6
135.08128	2.7
135.11703	7.4
141.07002	7.3
142.07790	2.4
143.08566	23.1
143.85046	1.9
145.06493	2.1
145.10109	24.1
146.12790	2.1
147.08125	2.6
147.11678	16.3
149.09610	3.6
149.13310	4.4
155.08559	18.2
157.10115	23.0
159.11662	17.1
161.13289	8.5
166.07768	2.0
167.08594	7.9
169.10126	19.1
171.11716	21.4
173.13269	14.2
175.14844	2.9
177.12715	2.0
179.08540	2.9
181.10162	12.6
182.10880	2.9
183.11697	18.3
185.13252	14.5
187.11220	4.8
187.14862	4.5
193.10158	5.2
195.11726	12.1
197.13268	14.2
199.14853	7.4
205.12331	2.1
207.11761	3.6
209.13315	8.4
211.14853	8.5
213.16377	8.2
215.17928	2.6
219.11847	2.6
221.13252	4.6
223.13200	5.2
223.14926	6.4
225.16428	4.0
237.16426	4.7
241.19615	5.3
251.17992	2.5
259.20663	6.2
261.22314	3.2
279.15942	3.5
281.17508	5.9
281.22565	2.2
311.23648	2.4
323.23911	2.7
333.24194	2.4
335.23618	3.2
339.23154	3.5
367.26233	3.1
419.33350	6.7
429.31216	3.2
437.34204	13.5
447.32727	27.2
455.35587	3.3
465.33652	31.4
483.34781	19.3
501.35516	3.0
503.35434	2.3
511.37869	3.4
513.36121	2.3
521.36157	9.6
529.38824	8.3
539.37323	100.0
540.37494	4.2
557.29755	3.5
557.38397	70.5
558.38849	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	557.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	3.0
53.03935	7.2
55.01859	9.5
55.05509	35.3
57.03442	13.7
57.07067	4.8
59.89357	2.4
60.87248	2.8
62.61446	2.6
65.03925	4.6
67.05170	4.4
67.05501	74.5
68.05827	4.2
69.07063	29.7
71.04994	6.0
79.05489	67.3
80.05809	5.2
81.03403	8.7
81.07053	87.2
82.07384	5.1
83.04967	17.1
83.08630	14.3
85.06522	3.5
91.05474	63.4
92.05805	6.9
93.07041	71.2
95.04960	16.5
95.08603	43.0
96.08931	3.1
97.06523	10.4
97.10178	5.6
103.05486	3.1
105.07024	54.1
106.07352	6.3
107.04957	17.5
107.08590	31.0
109.06506	10.1
109.10141	12.5
111.04436	4.8
111.08077	4.0
113.45052	3.2
117.07008	32.3
119.08569	36.7
120.08913	6.2
121.06494	4.8
121.10119	20.9
128.06186	7.1
129.06993	24.6
131.08565	44.8
133.06410	5.2
133.10135	26.2
134.10490	4.1
135.07986	4.9
135.11697	11.6
141.06947	8.0
142.07796	5.6
143.08542	32.4
145.06412	3.9
145.10129	31.9
147.07985	10.1
147.11659	27.1
148.12007	3.2
149.09633	6.9
149.13235	9.9
155.08569	22.0
156.09355	3.9
157.10127	26.2
159.08093	5.1
159.11710	22.6
161.09650	3.8
161.13240	14.2
163.11176	10.9
166.07568	3.3
167.08539	10.0
169.10170	24.8
171.11678	25.1
173.09576	4.1
173.13321	13.5
177.12723	4.8
179.08496	4.1
179.14212	4.9
181.10056	12.8
183.11668	20.3
185.13211	13.7
187.11208	3.4
189.12764	4.3
193.10112	4.3
195.11652	16.1
197.13271	12.5
199.14792	6.8
201.12732	3.5
201.16338	3.8
207.11826	4.8
207.13766	6.0
209.13251	9.1
211.14799	10.4
213.16371	5.7
221.13344	3.3
223.14809	6.4
227.12773	3.3
233.15343	5.2
235.14841	4.9
237.16457	5.2
239.17911	3.8
241.19479	7.2
253.15862	3.8
259.20572	12.1
261.18539	3.7
271.16873	7.2
275.20148	16.9
276.20432	10.0
277.20901	4.6
279.15964	5.8
281.17517	11.6
283.72159	3.2
289.17975	17.4
295.23486	3.3
297.22156	4.2
333.24121	4.8
353.24704	3.3
419.32736	4.7
429.31418	4.2
437.34085	9.4
447.32660	25.4
465.33823	25.5
483.34479	18.9
521.36060	10.2
529.38696	9.3
539.37347	100.0
557.38458	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.5
53.09895	1.1
55.01859	4.4
55.05505	24.3
57.03429	6.4
57.07072	2.6
65.03949	2.8
67.05500	42.5
68.69992	1.0
69.07066	19.6
69.36809	3.2
69.37234	6.5
71.04987	3.6
73.99794	1.0
79.05487	38.9
80.02763	1.0
81.03394	5.5
81.06572	2.2
81.07050	46.8
83.04977	6.3
83.08610	10.5
85.06544	4.4
91.05054	0.6
91.05476	38.5
93.07037	39.9
93.07626	2.3
93.93658	1.1
95.04971	9.9
95.08598	28.6
97.06541	4.1
97.10167	7.0
98.21484	1.9
99.08091	1.6
103.05480	2.5
105.07021	37.8
107.04942	5.6
107.08588	20.9
107.78598	1.1
109.06516	3.7
109.10149	11.1
111.08049	1.7
115.05445	2.4
117.07001	18.5
118.87959	1.0
119.08569	28.6
121.06529	2.4
121.10130	12.2
123.08099	5.2
123.11716	3.2
125.09642	2.9
128.06224	5.2
128.40186	1.0
129.05545	1.3
129.06999	20.0
130.07822	1.8
131.08554	31.0
133.06503	2.3
133.10129	21.7
135.08092	2.9
135.11696	8.3
137.09669	1.1
141.06973	9.0
142.07782	5.7
143.08540	25.9
144.09406	2.3
145.06424	2.3
145.10112	27.4
147.08037	2.7
147.11684	18.6
149.09653	3.3
149.13304	3.9
153.07040	2.0
154.07813	2.2
155.08524	20.7
155.09669	1.4
156.09393	2.5
157.10120	22.3
159.08034	2.4
159.11681	18.8
161.09657	3.8
161.13239	10.6
163.11252	2.0
165.06979	2.2
165.61235	1.2
166.07877	1.3
167.08578	9.1
168.09288	2.3
169.10117	23.4
171.08109	2.3
171.11667	24.5
173.09689	1.4
173.13232	11.7
175.11229	2.0
175.14835	5.7
177.12823	1.7
179.08636	3.2
180.09402	1.6
181.10101	15.2
182.10902	2.8
183.11679	18.8
185.09639	1.8
185.13246	15.7
187.11229	3.3
187.14717	5.6
189.12787	2.7
193.10202	3.8
194.11008	1.6
195.11699	13.2
197.09613	1.2
197.13240	15.8
199.14830	10.1
201.12698	1.4
201.16434	3.1
205.10132	1.2
207.11766	5.3
207.13872	2.8
209.13232	8.7
211.14825	7.7
213.12930	1.5
213.16405	10.2
221.13278	4.1
223.14885	7.4
225.12856	1.4
225.16521	4.0
227.18031	1.4
231.17426	2.1
235.14911	3.4
237.16373	3.4
239.17928	2.0
241.19472	7.8
247.14853	1.6
247.17091	2.9
249.16321	2.4
251.14230	1.3
251.18021	2.6
257.18982	2.4
259.20526	11.9
265.19577	1.8
267.17615	1.6
267.20883	1.1
269.19211	1.7
271.17377	1.4
279.16040	4.5
279.21231	1.2
281.17300	9.3
283.20639	2.0
287.20224	2.6
293.18930	1.4
295.20480	1.3
297.22159	1.3
299.20071	1.4
309.22253	1.4
313.21732	1.5
321.22186	3.3
323.20248	1.5
323.23877	2.5
325.25378	1.8
327.22943	1.4
329.25009	1.4
333.24268	5.5
335.23532	2.5
337.25281	2.1
339.23190	2.8
341.24774	3.1
349.25323	2.3
351.23172	2.2
353.24838	2.0
365.24802	1.2
367.26175	2.5
377.24747	1.5
387.26627	1.1
391.26035	1.4
419.33130	3.5
429.31610	6.3
435.32306	1.3
437.34000	13.1
447.32614	23.9
465.33734	27.4
483.34695	20.5
501.35965	4.8
503.35132	2.5
511.38019	3.0
521.36285	10.3
527.37463	2.8
529.38892	9.0
539.37311	100.0
540.37384	2.3
557.38434	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
54.35912	1.0
55.01860	7.7
55.05258	2.1
55.05507	26.4
57.03428	5.2
57.07076	1.2
58.06003	1.0
65.03916	2.4
67.05499	33.8
69.03422	5.1
69.07059	17.7
71.04985	2.8
79.05486	33.8
79.05952	1.2
81.03411	46.0
81.07050	32.8
83.04973	6.0
83.08613	13.5
85.06516	1.4
85.99600	1.1
91.05471	32.1
93.07034	25.7
93.56297	1.0
95.04963	24.1
95.08603	17.9
97.02884	6.3
97.06506	5.5
97.10161	16.3
103.05470	1.6
105.07019	21.0
107.04943	13.3
107.08577	17.0
109.06482	6.8
109.10157	12.1
111.04451	1.4
111.08076	3.5
115.05445	1.7
117.07018	9.5
119.04934	2.4
119.08561	16.1
121.06499	9.5
121.10128	8.2
123.08083	3.8
125.09618	12.4
128.06200	1.8
128.88991	1.1
129.06982	10.3
130.07837	1.4
131.04875	1.8
131.08540	13.0
133.06471	4.3
133.10112	9.7
135.08035	6.1
135.11716	3.9
137.09645	2.1
139.07538	1.0
141.06958	3.0
142.07811	3.0
143.08562	6.9
144.09378	1.2
145.06480	3.3
145.10114	9.5
147.08017	8.7
147.11656	7.1
149.06007	1.3
149.09619	4.2
149.13356	1.0
151.11172	2.3
153.09088	3.1
154.07825	1.1
155.08591	3.4
157.06555	2.5
157.10103	9.1
159.08043	3.2
159.11716	4.4
161.06125	0.9
161.09607	5.7
161.13266	1.5
163.11171	4.2
165.09148	1.1
169.10117	2.3
171.08070	1.9
171.11577	1.9
173.09616	2.6
173.13237	2.1
175.11166	5.7
177.12770	2.0
181.10124	2.5
183.11763	3.1
185.09615	2.1
185.13269	2.6
187.11168	2.7
189.11226	8.5
189.12721	1.8
193.12247	10.6
195.11751	1.9
199.11209	2.9
201.12781	3.0
205.12222	3.3
213.73401	1.0
219.13776	15.7
223.13206	12.0
227.12711	8.8
245.15561	1.3
245.19005	1.6
249.14830	3.0
253.14493	1.2
255.17439	2.0
273.18484	10.2
275.20050	1.6
281.21194	1.3
287.19974	2.2
289.17981	1.3
291.19519	51.8
297.18536	2.6
311.20023	1.6
313.21558	10.9
315.19684	1.6
341.20798	1.7
347.22241	2.2
367.22394	1.3
371.22406	1.6
389.23483	1.5
445.25784	4.0
447.28799	3.1
459.27249	1.4
465.30023	6.6
483.31009	6.3
501.32538	1.5
539.33594	20.4
557.34680	100.0
558.35028	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.6
55.01855	2.8
55.05508	16.4
57.03427	4.1
57.07064	2.6
65.03940	1.6
67.05499	33.2
68.23367	0.9
69.07066	13.1
69.36686	1.9
69.37099	7.0
71.04984	2.9
71.14893	1.0
77.03946	1.2
79.05488	29.0
81.03401	2.2
81.07049	30.6
83.04954	3.4
83.08621	7.7
85.06533	3.1
88.13331	0.9
91.05476	29.1
93.07036	28.2
95.04955	6.2
95.08598	23.8
97.06506	3.9
97.10173	5.4
98.21445	1.9
99.08072	1.1
99.12589	0.8
100.09406	1.1
105.07017	28.6
107.04952	2.8
107.08578	14.0
108.09409	0.8
109.06506	3.4
109.10151	8.6
111.04398	1.1
111.08060	1.3
115.05483	3.0
117.07005	16.3
119.08565	22.1
121.06505	1.8
121.10142	8.2
123.08064	3.2
123.11724	1.8
125.09634	2.0
128.06242	3.6
129.06981	16.4
130.07779	1.9
131.08556	25.9
133.10110	13.5
135.08070	1.9
135.11688	7.0
137.09592	1.5
141.06961	6.5
142.07788	3.3
143.08542	22.5
145.06505	2.1
145.10114	19.7
147.08046	1.9
147.11671	13.3
149.09624	2.4
149.13313	3.1
153.06996	2.1
154.07787	2.3
155.08530	17.9
156.09335	2.6
157.10127	18.0
159.08124	2.3
159.11678	14.0
161.09624	1.9
161.13223	7.6
163.11143	1.4
163.14903	1.2
165.07057	1.9
166.07797	1.2
167.08554	6.5
168.09337	2.1
169.10120	21.5
170.10864	0.9
171.08049	1.3
171.11665	17.9
173.09608	1.7
173.13242	10.2
175.11264	1.0
175.14879	4.5
177.12769	1.1
179.08623	2.8
180.09294	1.1
181.10136	11.2
182.10915	2.0
183.11668	16.4
185.09566	1.9
185.13258	12.1
187.11150	1.4
187.14815	4.6
189.12794	2.5
193.10159	3.7
194.10840	1.3
195.11693	10.1
197.09630	1.1
197.13263	12.0
199.11259	2.2
199.13182	1.9
199.14807	8.6
201.12788	1.5
201.16441	2.2
205.10155	1.1
207.11714	2.7
207.13733	2.4
208.12425	1.2
209.13222	9.9
211.14798	7.6
213.12759	1.6
213.16336	8.6
215.17998	1.4
217.15898	1.5
219.11784	1.4
221.13315	3.4
223.14864	5.6
223.17352	0.9
225.16422	4.0
227.17976	1.3
231.17346	1.2
231.21016	1.2
233.13313	2.0
235.14845	2.2
237.16379	3.5
239.18022	2.7
241.19429	6.1
247.16945	2.1
249.16348	2.1
251.17937	2.6
257.18976	2.6
259.20566	9.8
272.45178	0.9
277.21872	1.6
279.16019	3.3
281.17319	5.7
283.20490	1.2
287.20093	1.5
297.22296	2.0
299.20508	1.0
299.23706	1.5
307.20569	1.2
309.22305	1.7
311.19879	1.5
313.21677	1.3
315.23239	1.6
321.22015	1.7
323.23672	3.2
325.21710	1.9
333.24173	5.9
335.23773	2.9
337.25363	1.2
339.23273	2.1
341.24817	1.4
349.24942	1.8
351.23007	1.4
353.24847	3.1
355.26184	1.6
365.24698	1.8
367.26337	1.7
369.54324	1.1
405.27203	1.1
413.27328	1.0
419.33179	3.9
429.31506	6.2
435.32358	1.3
437.34116	10.5
447.32559	24.5
465.27106	1.6
465.33664	32.1
483.34723	17.4
501.35760	2.8
503.35226	2.3
511.37918	2.3
521.36041	9.5
527.37476	2.7
529.38800	8.7
539.37262	100.0
540.37677	2.2
557.38379	48.4
558.39496	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
53.03939	5.5
55.01866	6.2
55.05506	21.1
57.03427	3.4
57.07082	1.6
59.04992	0.7
62.04685	0.7
65.03928	2.9
67.05499	43.4
69.03415	1.6
69.07067	12.9
70.73378	2.3
71.04980	3.1
73.06582	0.9
74.86305	0.7
77.03925	1.1
78.44824	0.7
79.05007	1.3
79.05486	62.4
81.03421	5.6
81.07050	100.0
82.07420	0.7
83.04984	7.3
83.08608	12.7
85.06541	1.9
91.05473	40.3
93.07036	34.5
95.04963	14.0
95.08598	23.0
97.06528	7.1
97.10168	3.0
99.08068	1.0
105.04533	1.6
105.07021	35.4
107.04952	8.1
107.08582	17.5
109.06506	39.4
109.10137	9.2
111.08089	3.6
111.11704	0.9
115.05480	1.5
117.07010	12.7
119.08570	30.7
121.06507	3.4
121.10137	11.0
123.04440	1.2
123.08051	5.9
123.11711	2.6
125.09622	1.7
128.06224	3.3
129.07002	13.1
130.07762	1.1
130.80402	0.7
131.08563	15.4
133.06499	1.5
133.10114	18.4
135.08052	2.9
135.11647	6.2
137.09586	2.2
141.06995	3.1
142.07744	1.9
143.08540	8.4
145.06496	2.0
145.10117	13.6
147.08067	1.7
147.11679	17.8
149.09621	3.5
149.13240	7.2
151.11220	1.5
153.07002	1.2
153.59686	0.7
155.08563	4.9
157.10107	6.0
159.08107	1.3
159.11661	8.1
161.09654	2.4
161.13232	6.2
163.11185	5.1
163.14801	2.9
165.12778	2.9
167.08575	1.8
168.09361	0.8
169.10110	4.8
171.08159	1.1
171.11667	11.4
173.09612	1.8
173.11862	1.2
173.13275	5.0
175.11176	1.1
175.14825	1.3
177.12770	1.6
178.07848	0.7
179.14323	1.3
181.10153	2.5
183.10207	1.2
183.11633	3.9
185.13275	2.5
187.11209	1.3
187.14801	1.7
189.11247	1.1
189.12738	3.6
193.10208	1.0
193.12262	2.0
195.11673	2.3
197.13313	2.1
199.11285	0.8
201.12862	0.9
201.16438	1.1
207.11755	1.3
207.13826	6.1
209.13356	1.7
211.11211	0.9
211.14919	2.0
215.14377	1.0
219.13921	0.9
219.17535	0.7
225.14738	1.6
229.19521	4.3
233.15427	0.8
235.14857	1.2
239.17966	1.7
247.20514	6.7
249.16354	1.0
257.18964	5.3
263.16574	0.8
275.20038	58.1
276.20352	1.0
279.15948	0.9
281.17523	1.8
293.21118	6.7
309.22110	2.1
311.20102	0.8
313.21548	1.0
327.23395	1.1
331.22656	1.0
340.97873	0.8
349.23883	3.1
429.30020	4.0
435.32928	1.2
445.31067	2.3
463.31973	3.6
481.33096	2.0
527.37549	1.1
537.35815	6.2
555.36823	52.8
556.37067	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	555.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.4
53.03943	7.6
55.01871	28.5
55.05507	26.3
57.03437	3.3
57.07067	1.8
59.04976	1.8
65.03935	5.2
66.04757	0.7
67.05502	70.8
69.03419	2.1
69.07066	34.2
70.17874	2.7
70.18228	1.1
71.05004	3.8
71.56023	0.6
73.06548	1.7
73.06923	0.7
76.26562	0.6
77.03889	1.7
78.04736	0.8
79.05491	80.7
80.05833	0.7
81.03413	15.0
81.07054	71.2
83.04978	17.1
83.08611	9.6
85.02904	0.7
85.06535	3.7
87.04443	1.2
91.05476	87.1
93.07041	61.1
95.01325	13.2
95.04352	1.3
95.04970	28.3
95.08604	47.5
97.02888	1.7
97.06525	59.1
97.10157	5.2
99.08091	2.2
103.05458	3.2
103.66075	0.7
105.04524	1.5
105.07025	88.7
106.07356	0.7
107.04948	28.1
107.08584	24.4
109.02852	0.8
109.06515	9.3
109.10156	11.0
111.04421	1.0
111.08082	3.5
113.09605	1.4
115.05463	3.5
117.07014	21.4
119.08576	50.3
121.06483	4.7
121.10139	11.9
123.04423	3.2
123.08076	8.4
123.11695	2.8
125.09630	2.3
128.06247	3.2
129.07005	13.4
130.07817	1.4
131.08556	24.3
133.06514	2.3
133.10124	45.4
135.08055	4.0
135.11674	8.8
137.09648	4.6
139.07535	2.8
141.06972	4.3
142.07768	1.1
143.08553	9.6
145.06500	3.4
145.10120	22.9
147.08017	1.9
147.11673	32.5
148.12032	0.8
149.09624	10.0
149.13242	4.7
151.11186	2.3
155.08540	1.8
157.10129	4.9
159.11691	14.6
161.09586	2.6
161.13248	14.7
163.11147	8.2
165.09105	2.7
167.08505	0.9
169.10094	4.5
171.10236	1.3
171.11682	14.7
173.13231	4.5
175.11278	1.6
175.14827	2.0
177.12755	5.9
179.14297	19.7
179.15790	1.3
181.10168	0.8
183.11621	3.6
185.13266	2.3
187.11227	5.4
187.14832	1.4
189.12733	6.3
193.12207	1.1
195.13901	1.4
197.13269	3.1
201.12779	0.9
205.12250	2.2
207.13777	8.1
211.60574	0.7
215.14275	1.0
215.17963	0.9
223.13271	0.8
225.14862	2.8
229.19565	2.9
233.15402	1.1
233.19165	0.8
239.18002	4.0
241.14330	2.4
241.19528	1.3
247.20602	4.4
257.18967	7.9
259.20648	3.3
263.16528	1.8
275.20053	100.0
276.20380	1.9
279.15918	8.7
281.17563	1.5
293.21042	9.2
297.16891	0.8
310.10846	0.8
319.07217	0.7
331.22739	1.2
349.23721	3.9
380.25797	0.7
425.16354	1.1
439.13901	1.1
441.19403	1.3
445.30478	0.9
453.15765	1.8
455.89685	0.7
463.32327	1.0
481.33228	1.0
537.35748	3.4
555.23804	5.4
555.36804	47.5
556.37524	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	2.3
53.03930	9.1
53.99810	2.3
55.01869	12.3
55.05507	32.0
57.03419	7.4
57.07065	3.1
59.04976	2.1
62.64879	1.8
65.03936	6.4
67.05498	70.0
69.03416	4.7
69.06774	2.4
69.07069	25.5
70.89418	2.2
71.04995	6.3
71.59850	2.2
71.60307	3.3
73.06569	2.4
79.05484	86.2
81.03409	11.2
81.07053	100.0
83.04965	10.6
83.08617	12.6
85.06524	3.5
90.70543	2.3
91.05472	79.4
93.06468	3.9
93.07037	66.7
95.01333	2.9
95.04973	29.5
95.08039	3.9
95.08600	45.5
97.06526	14.2
97.10149	7.0
103.05388	2.4
104.71633	2.4
105.04500	2.2
105.07027	66.0
107.04948	24.6
107.08575	41.2
109.06503	28.0
109.10141	15.9
111.08058	3.4
115.05453	3.9
117.07020	23.2
119.08565	46.5
121.06494	6.8
121.10114	14.1
123.08047	8.0
123.11730	4.2
125.09584	4.4
128.06213	6.7
129.07016	23.0
131.08569	29.1
133.06444	3.1
133.10120	25.6
135.04414	8.1
135.08044	6.7
135.11667	9.3
137.09566	5.6
138.22131	2.3
141.06956	6.4
142.07837	2.9
143.08571	16.0
145.06496	3.3
145.10106	38.4
147.04466	2.5
147.08022	5.2
147.11687	27.1
149.09619	10.8
149.13264	5.7
151.11183	3.2
154.07639	2.2
155.08507	8.3
157.10103	7.2
159.08034	3.6
159.11685	17.2
161.09613	5.1
161.13268	11.8
163.11168	9.2
163.14786	2.8
165.12741	3.1
167.08452	2.6
169.10109	9.4
169.70038	2.5
171.11674	21.5
173.09570	2.8
173.13266	7.6
175.11128	3.4
177.12822	3.0
179.14229	6.7
183.11647	7.4
185.13269	4.1
187.14857	3.9
189.11194	3.9
189.12770	7.6
195.11661	2.7
197.13272	4.2
199.14812	3.1
207.13774	9.1
225.14726	3.2
229.19537	4.3
239.17923	7.3
247.20512	6.0
257.19003	20.5
271.16995	5.8
275.20050	69.6
281.17514	8.0
293.21005	7.6
308.91708	2.3
331.22778	4.9
363.08755	3.8
391.08139	20.6
392.08578	2.3
445.31158	2.8
476.07504	2.3
537.35773	8.6
555.12958	15.7
555.37286	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	555.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
62.27105	1.3
69.03421	3.3
71.20240	2.2
71.20588	2.8
79.01870	3.6
81.03417	6.3
85.02911	6.3
89.24301	1.5
91.05469	1.8
93.07049	1.8
96.09858	1.3
97.02898	6.2
105.07037	2.2
105.20011	1.6
107.08601	2.2
109.02878	4.0
111.91527	1.4
119.08553	1.8
121.06524	2.9
125.02364	4.3
127.03909	10.4
135.08063	2.1
137.05948	2.6
143.03406	5.3
145.04929	2.5
145.10132	1.7
145.27113	1.5
147.08047	1.7
149.05922	1.7
149.09602	2.2
153.01823	100.0
159.11639	2.4
165.09160	5.1
171.02905	12.1
179.10648	1.8
193.12274	2.5
203.90582	1.6
205.12323	4.7
223.13321	5.5
261.77802	1.4
297.05896	8.2
315.07065	9.8
321.07321	1.7
411.05576	2.9
555.23987	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	554.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
54.07827	0.6
57.03429	2.0
57.25126	0.6
62.54200	0.7
69.03415	1.4
71.00840	2.2
71.04991	15.4
72.08146	1.5
73.02924	1.6
75.04487	0.9
82.01108	0.7
83.04980	2.0
85.02422	1.2
85.02899	17.5
86.09692	2.2
91.05460	2.6
97.02893	1.0
105.06999	1.0
107.04931	0.9
115.05392	0.8
123.04401	2.9
128.06183	0.8
129.05457	2.4
129.06982	5.3
129.10139	0.9
131.04906	2.0
131.08546	5.8
135.04369	0.7
137.05975	7.5
138.06302	1.5
141.06985	3.8
143.08522	0.8
145.06499	0.8
147.04381	3.1
153.01805	2.4
157.06491	4.6
158.07242	1.4
159.08049	5.7
160.05154	0.9
161.09636	1.1
161.34081	0.8
163.07433	0.8
165.05556	0.8
167.07019	3.0
169.06490	2.6
170.07248	1.4
171.08002	1.6
174.06754	10.0
175.07574	3.6
186.06802	2.1
187.07480	1.3
189.09100	23.5
191.10663	1.7
201.09044	6.4
203.10669	3.0
207.10088	0.8
215.24072	0.8
219.10150	100.0
220.10457	1.6
221.11707	1.3
287.05521	2.0
288.06155	0.7
294.72977	1.0
345.04626	7.5
348.94229	0.7
361.02423	4.3
362.02847	1.5
363.05545	3.4
379.03259	2.4
393.05164	0.9
401.00327	0.7
411.05594	1.3
411.15268	0.7
431.09772	1.0
471.07748	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	551.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01857	1.8
55.05506	15.8
57.03436	6.6
57.07073	41.8
65.03928	1.2
67.05499	27.2
69.03432	2.3
69.07060	11.4
70.73112	3.3
71.04984	3.5
71.08628	31.9
79.05486	16.4
81.03410	43.4
81.07051	35.8
83.04980	7.8
83.08611	23.9
84.40010	0.9
85.02895	21.3
85.10182	13.1
91.05473	21.1
93.07043	9.6
95.04961	18.1
95.05548	1.4
95.08603	27.0
97.02885	1.2
97.06520	1.7
97.10162	10.9
99.08099	1.0
105.07026	12.0
107.04958	3.8
107.08569	4.7
109.06528	2.7
109.10157	13.0
110.07011	1.1
111.08087	6.4
111.11727	3.8
113.05986	2.2
117.06987	1.3
119.08566	11.1
121.06464	1.1
121.10114	6.7
123.08087	1.3
123.11696	6.7
125.09608	1.2
129.06982	7.4
131.08568	6.4
131.13960	0.9
133.06516	2.5
133.10127	5.9
137.09601	1.6
137.13243	2.4
142.07822	2.2
143.24275	1.1
147.08105	1.5
147.11685	8.6
149.09627	3.6
157.10124	7.0
163.40054	0.9
165.12775	1.8
175.11188	7.6
193.12234	39.9
211.13268	40.5
212.13756	1.2
267.15897	5.1
267.26938	3.5
341.30472	4.1
347.50055	0.9
401.96722	1.1
415.04706	1.1
452.59296	1.1
533.41895	2.0
551.43030	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	551.2121
Annotation	Scorzonoside
Peak:m/z	Relative Intensity
50.74981	0.5
53.03935	0.8
55.01867	4.7
57.03414	1.4
61.02907	1.2
65.03944	1.6
67.05465	1.1
69.03429	4.9
69.69180	0.6
70.06574	1.5
71.05000	4.2
73.02901	1.1
78.04704	0.7
79.05485	2.7
81.03400	2.1
81.07064	1.2
81.69498	0.5
85.02904	12.2
87.04424	0.8
89.03908	1.5
91.05467	3.3
93.07039	0.9
94.04184	0.6
95.04945	2.2
97.02895	4.3
99.04463	0.5
102.04759	0.7
102.26536	0.7
103.05450	7.1
105.07041	2.8
106.04169	0.8
107.04964	5.4
109.02933	1.3
109.06486	0.8
110.03648	0.7
111.04457	0.8
115.05445	1.8
116.06250	0.7
117.03371	0.8
117.07005	1.4
119.04931	1.3
121.06486	4.1
122.03630	1.8
123.04440	4.0
124.05238	1.4
127.03933	1.5
128.06229	3.6
129.06996	11.8
131.04909	8.7
131.08556	1.4
133.06479	1.4
135.04382	1.2
137.05969	25.0
140.04663	1.0
144.23346	0.7
145.06487	1.7
146.03572	0.6
147.04384	4.8
149.05974	10.2
151.03906	2.7
151.07507	3.1
153.00734	0.7
153.01804	2.9
155.07050	1.5
157.06483	12.6
159.04381	1.4
159.07988	1.2
160.05232	0.6
161.05971	4.3
162.06793	1.1
163.03900	3.1
163.07535	5.4
165.05478	0.7
167.07036	48.0
171.06519	1.1
171.08070	0.7
173.05977	1.0
174.06744	4.1
175.07491	3.7
177.05472	20.8
179.06937	0.8
181.01395	0.7
181.04945	14.2
183.06525	0.7
185.05981	3.1
187.07487	1.0
189.05518	0.8
189.09099	12.9
189.10739	1.1
191.06995	0.8
191.10640	0.8
199.07518	1.1
203.06964	1.3
205.08546	1.1
209.08080	4.0
217.08582	8.1
218.07309	1.4
219.08167	1.2
219.10162	2.5
233.09631	1.8
235.07481	1.4
246.06894	0.8
247.07550	1.3
249.09271	1.3
261.09097	3.5
263.06989	0.8
277.08603	1.8
278.09335	1.1
280.47571	0.7
287.05362	0.9
289.08594	1.0
291.10150	0.6
292.07123	0.7
293.11639	2.4
295.09647	0.6
299.56808	0.5
299.65500	0.6
303.04871	1.6
306.08786	0.6
307.09647	1.9
309.97540	0.6
311.12888	0.8
321.11166	4.1
322.11856	1.3
323.09152	0.6
332.14923	0.6
339.12369	1.5
341.13925	0.7
353.13766	1.2
359.15030	1.7
361.02280	2.7
371.14871	100.0
372.15222	2.4
373.15936	0.6
375.04144	0.7
377.01715	0.9
379.03149	1.3
389.15811	0.9
391.03006	0.7
457.15601	0.6
507.06635	0.7
551.20862	2.2
551.29669	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	551.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83658	1.5
55.01865	3.4
56.84959	1.3
69.03409	2.1
69.82070	3.5
69.82472	5.8
70.06567	1.3
72.24579	1.4
79.05495	10.5
81.03413	2.0
85.02886	1.7
91.05480	5.5
93.07011	1.6
95.04984	2.1
103.05460	19.8
105.07027	71.2
105.81790	1.7
107.04908	1.6
108.89027	1.3
109.02882	1.6
110.96569	1.5
115.05448	14.1
118.04156	8.6
119.04922	1.8
121.06522	1.6
127.03928	2.8
131.04927	14.2
132.05684	1.8
133.06483	61.5
137.05959	5.0
143.04987	1.9
143.06042	3.4
147.04396	6.5
148.05182	5.6
151.07497	2.2
153.01797	9.8
161.05975	100.0
163.07527	13.7
171.08148	1.6
177.12639	1.7
189.09024	1.4
191.07019	70.0
193.08595	39.1
205.12253	1.9
221.11771	1.8
225.10083	2.2
226.07300	1.5
240.12392	1.5
297.06830	1.4
313.11874	1.9
342.11877	1.9
355.12378	1.4
445.16220	1.8
491.16309	6.8
519.15833	15.9
551.18707	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	551.2118
Annotation	Scorzonoside
Peak:m/z	Relative Intensity
50.31723	0.4
53.03935	1.0
55.01871	4.1
57.03427	1.0
61.02915	1.3
63.42464	0.5
65.03938	1.0
66.68383	0.4
67.05489	0.9
69.03425	5.2
71.04980	0.8
71.60567	0.8
73.02892	0.8
78.04700	0.8
79.05479	1.8
81.03418	1.4
81.07042	0.5
82.04202	0.4
85.02901	6.5
87.04428	0.7
89.03917	1.2
91.05461	2.7
93.03410	0.5
93.07032	1.1
94.04205	0.6
95.04964	2.2
97.02874	3.3
97.06519	0.4
99.90260	0.4
100.14259	0.4
103.05470	6.2
105.07036	0.9
106.04176	0.5
107.04946	5.2
109.02901	1.2
109.06493	0.5
110.03654	0.8
115.05464	1.0
117.06979	1.0
119.04909	0.6
121.06506	4.4
122.03637	1.8
123.04412	3.6
124.05183	1.4
125.06002	0.6
127.03907	1.3
128.06219	2.9
129.06998	10.1
131.03989	0.8
131.04916	7.7
131.08554	1.1
133.06488	1.5
134.03595	0.9
135.04488	0.8
137.05969	25.7
140.04636	0.8
145.02837	1.0
145.06459	1.8
147.04376	2.4
149.05963	10.8
149.07114	0.8
151.03935	1.3
151.07515	4.1
152.04698	0.8
155.07059	0.9
157.06483	12.4
159.04399	1.8
159.08055	1.1
160.05127	0.6
161.05971	3.5
162.06763	0.5
163.01320	0.4
163.03888	1.6
163.07530	6.3
163.38380	0.4
165.05482	0.6
167.07031	40.3
171.06590	1.0
173.05962	0.6
174.06755	3.5
175.07530	2.4
177.05458	18.1
177.09026	0.7
181.04942	13.3
181.06511	0.8
181.08531	1.2
183.06508	0.8
185.06007	2.8
187.07561	1.7
189.09099	12.1
191.06996	1.0
191.10614	1.8
193.08632	1.1
197.53581	0.5
199.07465	1.0
201.09128	0.8
202.06209	0.8
203.06891	0.5
203.08591	0.6
205.10248	0.5
209.08095	3.8
215.08487	0.6
217.08569	8.1
218.07266	1.4
219.08003	1.3
219.10167	1.7
221.08057	0.8
231.07983	1.2
232.08781	0.6
233.09698	2.1
235.07483	1.0
235.09570	0.6
243.08061	0.6
246.06721	1.0
247.07466	0.9
248.08473	0.6
249.09048	0.9
250.09933	0.8
259.07584	0.5
261.09073	3.7
262.09784	0.8
263.07071	0.9
264.07797	0.5
274.05884	0.5
277.08646	1.6
278.09409	1.5
279.10147	1.2
289.08389	1.0
291.10156	0.6
292.07428	0.6
293.11691	2.6
303.05017	0.7
303.10010	0.8
304.76273	0.4
306.08774	0.7
307.09552	1.7
311.12656	0.8
321.11209	3.4
322.12012	1.2
323.09009	0.5
339.12308	1.9
341.14075	0.6
353.13745	1.3
355.15558	0.4
359.14838	1.8
361.03925	1.9
371.14868	100.0
372.15234	1.9
379.05042	0.8
389.16000	1.1
447.16324	0.9
521.20605	0.5
528.09857	1.0
551.20734	2.9
551.30182	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	551.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	55.0
70.95472	2.6
71.95260	1.0
74.97604	13.4
84.96033	7.5
85.02908	3.1
86.97585	1.4
89.64151	0.8
92.82243	0.9
92.98624	2.2
97.02872	1.7
98.97578	3.1
102.54380	0.9
102.97054	2.9
107.04945	2.5
114.97041	0.9
115.03897	1.0
116.98611	4.0
119.01952	1.1
121.06541	1.1
128.98573	1.4
132.98148	5.0
134.99640	1.9
143.00104	1.0
146.99648	2.7
147.01340	1.3
150.99138	32.6
153.01779	2.0
169.00198	25.0
169.01532	0.9
170.99609	1.4
172.95230	2.7
174.00728	1.2
175.00601	1.2
177.00737	1.0
181.01738	2.4
181.03375	1.3
182.99535	3.4
183.03195	4.9
185.01193	2.7
187.02773	2.0
189.00699	2.2
190.96269	2.5
193.01730	41.6
194.99556	1.7
195.05136	1.3
197.01187	2.8
199.02734	1.6
201.00615	2.3
201.04359	7.0
203.02242	3.2
207.03372	1.1
208.99687	3.8
211.02763	100.0
212.03070	1.5
213.00687	2.9
215.02243	1.5
219.01701	2.8
219.05318	1.4
222.99178	4.0
223.02690	4.3
227.02216	3.3
229.03784	8.3
234.04361	2.8
237.00671	2.8
237.02748	3.0
239.02283	2.6
241.00128	2.2
241.03851	4.0
245.03345	8.0
250.98430	2.5
251.02199	7.8
255.01712	21.0
255.04160	1.1
257.03201	2.3
259.04852	1.2
263.00629	2.1
267.01752	1.5
269.03302	14.2
271.01370	1.5
273.02762	9.0
285.02768	2.3
287.04388	3.0
295.01154	16.8
309.02823	3.7
311.06073	1.3
313.02271	51.2
317.06940	2.3
327.03818	2.3
329.07062	1.9
331.03329	19.7
336.03925	3.1
339.05493	1.6
357.06335	2.1
364.90860	1.1
371.02896	7.6
373.05988	1.3
389.04077	2.2
399.03723	6.6
413.05466	4.9
417.04892	13.8
427.07791	1.2
431.06488	2.8
435.05896	3.7
475.05408	5.5
493.06714	4.2
551.07898	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1391
Annotation	Scutellarein 7-xylosyl-(1->2)-xyloside
Peak:m/z	Relative Intensity
52.76966	0.3
55.58625	0.2
57.03414	0.7
59.06102	0.4
61.02905	0.8
68.99773	0.3
69.03413	0.5
69.99240	0.2
70.73537	0.8
71.01327	0.3
71.04981	0.3
73.02913	7.5
82.57797	0.2
85.02885	1.2
95.48502	0.2
97.02869	0.5
111.00798	0.5
115.03924	0.9
121.02872	1.7
133.02841	0.4
137.02333	0.5
137.05963	0.5
147.04393	0.6
153.01816	2.5
165.01834	1.5
167.07001	0.2
183.02890	0.9
185.05948	0.4
187.48097	0.2
194.17372	0.3
203.10510	0.3
206.45729	0.3
213.05438	1.1
231.06421	0.5
241.04926	0.8
258.05219	0.8
259.06000	0.3
283.13229	0.4
287.05475	100.0
288.05780	2.0
384.32504	0.3
407.22971	0.3
419.09698	29.1
420.10110	0.4
425.24054	0.4
443.93475	0.3
491.29108	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	551.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	51.7
69.03413	1.0
69.40195	5.4
70.98118	0.5
71.95255	0.9
74.97605	11.3
77.00895	0.6
84.96033	10.0
85.02889	1.9
86.97598	2.3
89.04511	0.5
91.05471	1.0
92.98634	1.6
95.02010	0.6
97.02884	1.3
97.96812	1.0
98.97564	1.6
102.97045	1.7
107.04955	1.7
114.97058	1.2
116.98614	1.8
119.01926	1.8
123.04419	1.1
127.03931	0.8
128.98607	1.1
130.08635	0.6
132.98090	8.2
134.99687	0.6
135.01366	1.0
145.04886	0.6
147.01265	1.1
147.04395	0.6
150.99136	34.6
153.02493	1.3
157.65785	0.5
163.00558	0.7
165.02196	0.8
167.00139	0.7
167.06947	0.5
169.00211	23.4
169.01683	1.4
170.99593	1.3
172.95238	0.7
174.00691	0.7
175.00696	2.1
177.02318	0.7
181.01730	2.4
181.03450	2.9
183.03288	4.6
183.04935	1.1
185.01204	2.6
185.06622	0.8
187.02763	1.4
187.04436	0.7
192.01805	0.6
193.01724	48.9
194.00102	0.6
194.02161	0.8
194.99651	1.1
195.03539	0.6
195.05051	4.1
197.01218	2.3
198.98561	1.2
199.02805	1.2
199.04521	2.0
201.04338	7.9
201.06049	1.3
203.02193	3.1
205.01756	0.7
205.03574	1.4
207.03267	0.9
207.05003	0.7
208.99722	3.4
209.03000	0.6
211.02773	100.0
212.03081	1.2
213.00705	1.9
213.03105	0.9
213.06111	0.8
217.00005	0.6
218.99721	0.9
219.01726	0.9
219.05331	0.9
222.99188	3.6
223.02728	3.6
223.04601	2.3
225.04301	0.8
227.02383	3.4
229.03824	7.0
229.05663	1.2
233.01222	0.9
234.04359	2.1
237.00641	1.5
237.02736	3.1
239.02237	1.8
241.00005	0.9
241.03717	3.8
245.03291	8.6
251.02138	7.5
253.05621	1.7
254.99026	1.0
255.01683	20.6
256.02078	1.0
257.03235	1.8
259.04636	0.6
261.02823	0.6
267.01724	2.0
269.03217	14.0
271.06635	1.3
273.02808	8.7
278.03430	1.2
281.07007	1.1
285.02841	1.9
287.04031	2.7
289.07599	0.7
292.04968	1.0
295.01157	17.4
297.04535	1.3
299.06076	0.7
304.01590	0.8
309.02432	2.8
311.05948	2.4
313.02264	56.8
314.02591	0.8
317.06897	2.2
327.04089	2.3
329.06915	2.5
331.03326	20.5
332.03705	0.9
336.03867	2.1
339.05618	0.7
345.06018	1.0
354.04819	0.6
355.04968	0.8
357.06561	2.0
371.02768	6.2
373.06107	0.8
385.06775	0.8
389.03796	1.5
399.03830	7.2
401.05588	0.9
403.07367	0.7
413.05420	6.6
417.04907	13.1
417.10480	0.9
424.76248	0.7
431.06882	3.7
435.06052	4.2
443.07950	0.6
475.05267	4.8
489.07281	1.0
493.06696	1.9
551.07166	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35181	0.9
54.28781	0.8
56.66839	0.7
56.96561	56.2
70.98901	2.4
74.97591	12.4
74.97985	1.2
84.96027	10.1
86.97618	3.1
92.98622	2.0
94.84172	0.7
96.37788	0.8
97.96813	0.8
102.97081	2.2
107.04925	1.6
114.97025	1.1
132.98071	9.7
136.58057	0.8
150.99135	33.0
152.49977	0.8
163.00647	0.9
165.02231	1.5
169.00195	17.5
169.01585	1.5
170.00746	0.9
172.00378	1.3
175.00606	1.6
181.01700	2.2
183.03267	4.6
185.01277	1.8
186.01909	0.8
187.02802	2.2
193.01724	48.0
194.01955	0.9
194.99667	0.9
197.01172	1.9
199.02841	1.2
201.04353	6.7
203.02191	2.1
208.99654	3.0
209.01328	1.0
211.02763	100.0
212.03212	2.0
213.00746	1.0
213.17780	0.9
222.99152	3.1
223.02835	3.4
224.64992	1.0
225.04486	1.1
227.02310	2.8
229.03799	6.8
233.01286	0.9
234.04413	2.1
237.00647	2.3
237.02762	1.0
239.02339	2.3
241.03844	4.3
245.03331	7.7
251.02214	7.4
255.01718	20.9
257.03220	0.8
267.01727	2.5
269.00555	1.6
269.03287	15.3
273.02805	9.0
285.02884	2.6
287.04312	4.0
295.01184	23.0
309.02805	3.5
311.06088	1.5
313.02267	64.0
314.02594	1.2
317.07074	1.4
327.03860	2.8
329.07077	2.3
331.03339	28.4
336.03961	2.9
339.05371	1.5
357.06522	4.3
371.02826	9.9
387.30817	0.9
389.04129	1.9
399.03845	7.7
401.05472	1.0
403.07126	1.0
413.05533	6.5
417.04886	16.9
431.06531	3.4
435.05850	5.1
475.05344	6.3
489.06882	1.4
493.06503	3.5
551.06885	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
50.35995	1.7
52.86843	1.6
53.03930	3.7
55.01866	2.9
55.05508	34.9
57.03424	7.8
57.07059	8.3
63.85070	1.6
67.05498	52.4
68.05827	3.2
69.03417	2.1
69.06710	3.6
69.07061	39.0
71.04984	5.4
71.08628	3.5
71.59743	2.0
72.59110	1.7
79.05486	34.0
81.03413	42.7
81.07045	51.4
82.07398	2.1
83.04988	12.2
83.08608	39.6
85.02893	21.8
85.06524	2.7
85.10165	2.4
89.41590	1.8
91.05453	24.4
91.05917	1.9
93.07031	31.8
94.07384	2.6
95.04951	22.2
95.08590	44.0
96.08942	2.6
97.02882	1.9
97.06520	6.2
97.10159	17.6
99.08085	1.8
101.39108	2.2
105.07030	15.8
107.04967	4.5
107.08591	14.8
108.08862	2.1
109.06486	3.0
109.10144	14.4
111.04405	3.6
111.08067	9.5
111.11713	5.4
113.05984	3.2
115.05465	1.7
119.08576	17.6
121.10126	20.1
123.11710	5.5
129.07022	6.4
131.08549	7.4
133.06589	1.6
133.10136	7.7
135.11647	12.4
145.10127	2.8
146.10539	2.2
147.11664	12.9
149.09662	5.5
149.13263	6.8
155.95088	2.0
157.10133	10.8
165.12689	2.3
172.95316	2.8
175.11188	10.5
193.12228	46.5
211.13272	50.7
223.12596	1.8
237.11450	1.7
265.25241	9.6
267.15997	6.1
274.20572	1.9
339.29004	5.7
457.36563	3.8
514.49396	2.1
531.39990	9.9
549.41455	100.0
550.41711	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	549.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52594	3.1
52.90299	3.1
53.03930	6.0
55.01831	3.8
55.05505	39.5
57.03430	12.4
57.07064	14.2
67.05502	56.3
67.05835	6.8
68.37653	3.5
69.03410	3.8
69.07064	39.9
71.04987	5.3
71.08625	6.1
71.59489	6.0
79.05480	41.2
81.03403	39.2
81.07049	58.3
83.04980	8.8
83.08607	34.1
85.02892	18.5
85.61385	3.2
91.05467	29.2
93.07036	30.8
95.04958	22.3
95.08598	43.9
96.72051	3.7
97.10164	17.9
105.07033	18.3
107.04983	6.9
107.08586	13.1
109.06483	4.5
109.10150	22.2
111.08080	9.8
111.11709	4.0
117.07006	3.3
119.08576	12.7
121.10132	17.4
123.11666	6.9
129.06992	8.0
129.49141	3.8
131.08578	9.9
133.06560	4.5
133.10127	10.0
135.11700	10.5
145.10121	4.5
147.07930	3.6
147.11671	11.8
149.13239	5.1
157.10121	7.9
175.11159	10.8
193.12170	34.2
211.13242	38.3
265.25211	8.1
267.15839	6.7
339.29013	6.4
457.36887	3.8
531.39777	10.8
549.33606	5.8
549.41479	100.0
558.05603	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.0
55.01861	3.6
55.05508	37.3
57.03427	10.0
57.07065	9.6
65.03942	2.9
67.05501	54.7
69.03449	2.4
69.06710	3.8
69.07063	40.7
69.07412	3.8
71.04982	7.7
71.08608	3.8
71.11333	2.8
71.11693	4.3
78.83140	1.9
79.05491	30.0
81.03415	45.0
81.07053	63.2
83.04987	11.5
83.08619	40.0
85.02892	21.4
85.06558	5.6
85.10210	3.8
89.90073	2.0
91.05476	32.8
93.07034	27.1
95.04955	21.6
95.08601	42.9
95.09166	3.6
97.06527	6.0
97.10155	15.9
99.08097	2.5
105.07018	21.3
107.04965	5.5
107.08600	16.5
109.06493	5.6
109.10155	27.9
111.08093	8.2
111.11723	3.5
117.07024	3.2
119.08571	19.4
121.06470	2.4
121.10126	18.7
123.08036	2.8
123.11707	7.1
125.09647	2.5
129.06972	10.6
131.08563	11.0
133.06488	2.6
133.10161	14.5
135.11713	7.3
145.10133	5.0
147.11697	12.9
149.09634	4.6
149.13251	5.0
151.11183	4.3
157.10110	11.0
159.11697	2.0
170.74178	1.9
175.11192	11.2
192.64824	1.8
193.12222	51.5
211.13287	48.4
239.81952	1.9
247.24237	4.7
253.14328	10.8
254.83505	1.8
261.22192	2.6
265.25330	7.2
267.16040	6.9
271.15448	4.5
339.28949	3.7
431.38776	2.2
531.40137	6.9
549.41571	100.0
550.42426	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	549.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37107	0.3
51.69215	0.2
57.03439	0.7
65.03930	0.8
67.05507	2.2
68.99795	0.4
69.03423	0.9
69.49300	2.0
78.35534	0.3
79.05468	1.0
81.03393	0.7
83.01344	2.3
85.02906	1.7
87.00804	0.4
91.05478	3.0
95.04994	1.6
97.02877	0.9
97.06504	0.6
98.20757	0.6
105.01842	0.5
107.04946	3.1
109.02904	0.4
111.04321	0.3
119.04945	7.7
121.02861	0.3
121.06488	0.6
123.04443	1.4
125.05994	0.7
127.03891	1.2
135.04346	0.3
137.06015	1.5
139.03923	0.6
143.03394	0.3
145.04903	0.4
147.04405	31.5
153.05487	0.8
157.05008	0.3
161.05986	0.5
163.03902	1.1
167.07083	0.5
179.07043	0.8
181.04953	70.9
182.05356	0.4
191.07051	0.3
199.06018	10.8
205.00305	0.3
207.06523	1.2
259.09756	0.4
301.10687	100.0
302.10934	1.4
320.85809	0.4
341.03143	0.3
410.85278	0.3
428.82507	0.3
549.20856	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78707	2.1
53.03936	4.7
55.01864	2.5
55.05501	28.7
57.03423	8.9
57.07061	6.0
59.04980	1.8
65.03941	3.3
67.05499	95.1
69.07061	22.9
70.18198	7.2
71.04984	8.2
71.08614	2.0
75.39939	1.9
79.05054	3.1
79.05487	44.1
81.03389	4.3
81.07050	100.0
82.07383	2.0
83.04972	6.2
83.08624	19.0
83.39159	1.7
85.06534	4.2
91.05479	43.6
93.07038	59.3
95.04940	10.1
95.08604	66.3
97.06522	8.0
97.10153	7.8
99.08079	3.5
105.06367	3.6
105.07023	39.6
107.04961	3.9
107.08585	36.6
109.06470	3.8
109.10154	27.6
111.08059	5.3
117.07015	11.5
119.08566	33.9
121.06549	3.4
121.09318	2.1
121.10142	27.4
122.10510	2.2
123.11714	12.8
124.52266	2.0
125.09599	2.5
127.07641	2.3
129.05661	2.0
129.06999	7.1
131.08583	22.4
133.10118	24.4
135.08038	2.8
135.11690	20.3
137.13217	3.4
143.08548	7.3
145.10107	18.5
147.11671	18.5
149.09608	4.4
149.13232	20.4
155.08549	2.8
157.10118	8.8
159.11658	17.7
161.13202	9.6
163.11140	2.7
163.14838	3.8
165.12717	4.1
169.10039	2.8
171.11676	6.0
171.20378	1.9
173.11945	2.0
173.13139	10.1
175.14793	4.9
177.12787	3.2
184.48520	2.5
185.13257	4.0
185.14745	2.3
187.14818	5.7
195.12134	2.2
195.13853	7.3
199.14786	3.9
201.16309	2.7
227.12851	3.1
229.14352	3.9
243.21094	2.7
247.20447	2.6
257.19012	2.4
259.20667	2.5
261.22174	17.4
267.16125	3.9
269.17389	16.7
283.18970	2.1
287.23679	4.6
301.25168	5.6
317.24530	3.5
335.25845	11.6
352.68719	2.3
375.28754	3.1
419.32925	3.0
427.35638	2.2
437.34180	14.0
455.35223	10.0
473.36337	10.0
503.37167	3.7
508.35834	2.4
511.37500	5.5
529.38837	69.5
547.40100	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.8
55.01857	4.7
55.05503	33.2
57.03424	9.0
57.07062	12.4
59.05020	2.8
65.03910	4.6
67.05501	97.1
69.03437	4.6
69.07062	33.8
71.04982	8.7
71.08604	6.9
79.05485	56.7
81.03408	32.5
81.07052	100.0
82.07378	3.5
83.04984	10.7
83.08611	22.0
85.02895	12.4
85.06514	4.6
91.05477	57.9
93.07035	57.2
95.04959	32.1
95.08601	86.8
97.06516	8.8
97.10153	12.4
98.20731	7.5
103.05505	4.4
105.07027	46.8
107.04927	3.8
107.08597	30.6
109.06531	7.3
109.10137	28.2
111.08066	8.6
111.11684	3.3
117.07010	9.2
119.08572	34.6
121.10110	27.8
123.04419	8.8
123.11708	10.4
125.09628	5.8
128.06145	3.6
129.06999	10.2
131.08588	17.2
132.08868	2.9
133.10109	30.7
135.11687	18.4
137.09515	3.5
137.13284	3.6
143.08571	7.1
145.10120	16.7
147.11703	19.3
149.09601	8.0
149.13257	9.2
157.10092	10.8
159.11679	14.5
161.13263	21.9
163.11171	9.0
171.11743	5.6
173.13324	5.9
175.11169	10.1
175.14787	4.7
176.96008	3.3
177.12685	3.9
179.14383	3.9
185.13185	4.7
193.12238	26.3
195.13780	3.5
211.13237	21.4
229.79282	4.0
235.13205	9.7
241.19478	8.6
259.20581	23.4
261.22079	3.0
267.15912	5.5
269.17520	4.6
271.16537	3.0
271.19016	19.6
291.63681	3.3
333.24109	17.4
419.13351	3.1
451.34055	4.2
455.35059	4.7
473.36450	3.9
529.38733	34.6
547.39874	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	547.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01875	3.9
55.05504	27.8
57.03425	10.1
57.07067	6.0
65.03923	5.8
67.05174	6.2
67.05502	88.2
69.07071	28.0
70.26284	12.3
71.04977	8.0
71.08636	4.3
73.23750	3.3
79.05486	48.0
81.03394	5.7
81.07052	100.0
81.66534	3.4
83.04935	6.8
83.08613	19.7
85.06527	5.9
88.39333	3.1
91.05469	39.5
93.07037	71.6
95.04967	15.2
95.08602	61.1
97.06502	5.1
97.10163	5.0
105.07027	38.2
107.04912	3.7
107.08585	35.9
109.10149	30.3
111.08089	5.4
117.07001	12.2
119.08556	30.7
121.10126	27.4
122.57227	3.1
123.11692	14.2
129.06955	6.4
131.08556	20.2
133.10135	26.4
135.11702	22.2
137.13271	5.0
143.08563	11.2
143.47433	3.0
145.10109	27.3
147.11665	19.3
149.13235	21.7
157.10144	7.1
159.11685	17.3
159.49030	3.5
161.13246	13.0
163.14848	4.0
169.10117	3.4
171.11691	7.1
173.11887	4.2
173.13258	12.1
177.12779	4.4
185.13269	7.8
187.14810	10.1
195.13731	7.9
201.16461	3.3
225.56317	3.3
229.14339	6.6
261.22073	21.8
267.15955	5.9
269.17514	20.6
283.19073	3.6
284.11963	3.4
301.25256	4.7
306.16647	4.1
323.19470	3.5
331.20654	3.5
335.25735	22.6
403.47491	3.2
437.34106	14.6
455.35117	12.3
473.36047	14.5
529.38867	62.0
547.40686	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	547.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01862	9.3
55.05291	2.1
55.05510	19.5
57.03430	15.2
57.07064	3.3
65.03938	2.9
67.05499	70.5
68.05816	2.2
69.03415	4.6
69.07062	21.4
69.43410	5.6
69.43831	9.6
71.04974	7.8
72.76513	1.8
79.05055	3.8
79.05486	45.4
80.18143	1.6
81.03383	5.5
81.06572	4.0
81.07050	65.7
82.07363	2.7
83.04976	8.7
83.08603	7.4
85.06519	7.3
91.05476	68.6
93.07035	51.9
94.07394	1.7
95.04974	8.6
95.08602	26.7
97.06493	4.7
97.10157	2.6
99.04429	2.5
99.08114	3.9
105.07026	76.5
107.04951	2.5
107.08586	51.9
108.08884	1.9
109.06493	5.1
109.10146	65.0
111.08051	3.8
113.05980	2.7
115.05417	3.0
117.07027	13.2
119.08574	46.7
121.10130	18.6
123.08069	2.6
123.11694	12.7
125.09560	2.2
127.07518	2.7
128.06233	2.8
129.05489	2.0
129.06979	6.2
131.08557	18.0
133.10123	100.0
134.10489	3.3
135.08076	2.4
135.11674	16.8
137.09518	2.9
143.08537	9.2
145.10127	19.8
147.11678	37.0
149.09550	3.5
149.13258	10.2
151.11169	39.0
157.10086	9.2
159.11681	16.7
161.09605	2.3
161.12004	1.9
161.13266	26.6
163.11119	2.2
163.14819	3.5
169.12242	8.9
171.11659	9.6
173.13277	10.0
175.14836	9.2
177.12686	2.5
179.10579	3.1
183.11598	1.9
185.13249	8.0
187.14830	5.2
189.12662	2.6
195.13780	2.1
199.14900	3.7
203.14000	1.8
211.13297	2.1
215.12750	4.5
223.15178	1.7
231.21074	6.0
240.75331	1.7
241.19501	25.8
243.20955	2.0
253.14322	67.8
257.19107	2.2
259.20569	62.0
271.15378	47.9
275.19971	5.4
277.21521	4.5
315.23273	6.2
333.24182	36.5
358.25546	2.0
437.30310	2.6
455.31616	2.4
511.34079	7.0
529.35504	18.2
547.37762	9.9
550.38196	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	547.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	0.3
69.03404	0.3
69.58278	2.0
69.86869	0.2
70.06561	0.2
72.60996	0.2
77.27679	0.2
79.05489	0.3
81.03423	0.3
81.07050	0.4
85.02879	0.5
87.98274	0.2
89.33015	0.2
91.05486	0.4
92.99779	0.3
95.08615	0.3
97.02888	0.3
105.07048	0.4
109.10137	0.3
110.09646	0.2
115.50043	0.2
119.04987	0.4
137.05969	0.8
147.04390	1.2
153.01880	0.3
161.06001	0.3
167.07048	0.3
177.05502	0.3
256.54178	0.3
337.26300	0.3
367.27817	0.5
377.01950	0.5
385.29102	0.7
395.02905	0.3
415.10388	0.5
529.33295	0.8
547.34485	100.0
548.34845	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.5
67.05495	0.4
69.55279	2.0
69.99975	0.3
70.06595	0.4
71.04980	0.7
72.08136	0.3
81.03405	0.3
85.02906	0.9
91.05483	0.3
95.05041	0.2
95.08620	0.3
97.02879	0.3
105.78141	0.3
116.98587	0.3
119.04914	0.2
123.04424	0.3
131.04950	0.3
137.05991	1.0
147.04384	0.4
149.06020	0.3
153.01804	0.3
181.04996	0.9
217.08652	0.3
230.89328	0.3
237.02960	0.3
239.02324	0.5
257.03391	0.7
275.04584	0.3
321.22574	0.3
325.12329	0.9
343.04962	0.6
361.06024	2.0
371.14804	0.6
379.06924	1.6
385.28885	0.6
391.03619	0.4
403.06808	0.4
427.46530	0.3
487.09262	1.4
505.10321	0.4
529.33240	0.5
547.21069	5.0
547.34497	100.0
548.35150	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	547.325
Annotation	Westiellamide
Peak:m/z	Relative Intensity
53.03950	1.7
55.01859	1.9
55.05506	7.9
56.05832	1.1
57.03424	2.1
57.07064	1.1
59.28569	0.7
64.38574	0.7
65.17283	0.7
67.05502	20.8
68.05817	2.5
69.07062	7.1
70.07389	1.4
71.04992	3.2
73.73455	0.7
78.82910	0.6
79.05487	12.6
80.05811	1.9
81.03397	2.7
81.07053	18.4
82.07378	2.7
83.04968	2.0
83.08601	2.8
84.08939	0.9
85.06538	1.4
91.05477	10.2
92.05809	1.8
93.07043	12.0
94.07368	2.4
95.04961	4.0
95.08609	8.3
96.08923	2.2
97.06519	2.5
97.10168	2.2
98.21515	1.7
99.08099	0.7
105.07028	10.0
106.07349	2.4
107.04939	1.4
107.08582	6.8
108.08919	2.2
109.06488	1.7
109.10141	4.5
110.10491	1.3
111.08033	0.9
117.07002	2.9
118.07348	1.2
119.08575	5.8
119.72499	0.8
120.08912	2.3
121.06498	1.2
121.10135	4.5
122.10456	1.5
123.11681	1.8
125.09586	0.9
126.09941	0.8
129.06947	2.0
130.07353	1.2
131.07690	1.1
131.08566	5.8
132.08942	2.0
133.10143	5.7
134.10451	1.4
135.08051	1.2
135.11679	3.5
136.12012	0.9
143.08554	1.9
144.08890	0.9
145.10107	3.1
146.10435	2.5
147.11725	3.4
148.12025	1.1
149.09612	1.0
149.13225	2.4
150.13564	1.4
157.10081	2.1
159.11714	3.9
160.12019	1.8
161.13239	2.0
163.11235	0.9
169.10051	1.4
170.10445	1.0
171.11653	1.9
172.12044	1.4
173.13277	1.4
174.13562	1.9
176.15121	1.1
181.12224	0.8
184.11998	1.0
185.13284	0.9
186.13632	1.5
193.12251	1.2
195.13828	0.9
200.15147	1.0
211.34853	0.8
247.13052	4.8
255.15895	1.3
260.20865	1.1
267.15768	6.0
275.20044	2.4
302.25592	1.0
303.15579	3.2
323.18256	5.2
335.25299	1.3
336.26108	0.8
413.59958	0.7
419.32300	0.9
427.34448	1.3
437.33249	2.3
455.34250	2.6
473.19717	0.9
473.35199	2.9
501.38757	0.8
511.36987	0.9
519.39520	3.3
529.38062	15.2
547.32251	100.0
547.39154	8.7
548.32227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
53.06545	1.8
53.18907	2.1
55.01858	6.3
55.05265	2.0
55.05508	35.1
57.03429	12.3
57.07062	4.0
60.88882	1.9
65.03928	3.1
67.05499	78.9
69.03426	2.7
69.07062	26.1
70.65830	3.6
70.66234	4.0
71.04986	7.1
79.05058	3.2
79.05490	53.0
81.03407	22.5
81.07050	69.2
83.04986	5.0
83.08617	21.4
85.06532	2.5
91.05473	42.3
93.07038	54.2
95.04963	18.6
95.08603	48.6
97.06515	6.6
97.10161	24.3
99.08081	2.5
105.07021	41.2
107.04949	8.3
107.08588	37.7
109.06510	5.8
109.10150	28.7
111.08047	4.1
111.11768	1.7
112.20008	2.0
117.07003	19.7
119.08572	39.3
119.09359	3.5
121.06489	6.5
121.10132	25.5
122.43057	2.1
123.08034	4.6
123.11676	10.5
125.09613	14.4
129.06976	13.9
130.07800	2.1
131.08566	34.2
133.06517	2.3
133.10124	26.7
135.08063	6.8
135.11682	20.4
137.09589	3.8
139.11185	2.3
141.06989	2.8
142.07777	3.7
143.08560	15.5
144.09395	2.0
145.06451	3.6
145.10115	33.4
147.08047	2.8
147.11682	22.2
149.09619	6.5
149.13275	12.7
153.09167	2.1
155.08566	5.3
157.10126	19.5
159.11668	25.2
161.13239	12.9
163.11172	5.1
163.14841	3.1
165.12767	2.6
167.08548	3.5
169.10126	10.0
171.11652	13.5
171.18250	1.9
173.13257	15.3
175.11200	5.3
175.14804	6.2
177.12700	3.7
181.10081	2.2
183.11703	7.8
185.13277	12.8
187.13342	2.7
187.14850	8.6
189.11176	9.1
189.12746	2.4
193.12218	9.1
195.11708	3.8
197.13319	6.7
199.14803	10.2
201.12828	2.6
201.16347	2.3
206.39676	1.9
209.13266	3.6
211.13148	2.7
211.14897	3.9
213.16455	3.4
225.16353	3.7
227.12657	13.9
241.19606	3.9
243.21150	3.1
245.18904	2.6
247.05493	2.4
247.16971	2.6
257.19104	2.8
259.20551	11.1
261.22107	8.7
267.15884	21.0
269.17514	5.5
285.22122	5.5
287.20047	2.0
298.59183	2.0
299.23697	3.0
301.25195	25.2
303.23157	3.0
329.21060	3.5
333.24353	6.6
335.25900	10.9
337.03577	2.1
341.24927	2.3
359.25754	2.8
403.24652	2.7
417.31497	5.4
421.25635	3.7
423.32181	2.0
425.33954	4.5
435.27655	2.3
435.32755	13.1
453.33591	19.7
471.34494	14.7
489.35605	2.7
499.37598	2.9
509.36313	5.4
515.37054	2.4
517.38879	12.0
527.37311	78.4
528.37854	2.7
545.38324	100.0
546.39630	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
55.01868	4.4
55.05262	2.1
55.05507	29.3
55.83549	1.3
57.03436	8.2
57.07072	2.2
59.04975	1.7
65.03928	3.8
66.40143	1.1
67.05500	65.7
69.03429	3.7
69.07064	17.3
71.04993	6.7
79.05486	55.7
81.03410	47.5
81.07050	64.3
83.04976	11.4
83.08613	21.8
85.02905	20.9
85.06538	3.1
91.05476	50.0
93.07036	57.7
95.04954	28.5
95.08604	36.7
97.02850	1.3
97.06525	5.4
97.10158	8.3
98.21498	3.2
98.32600	1.2
99.08097	1.6
103.05442	1.4
105.04545	1.3
105.07018	36.3
107.04942	4.7
107.08587	26.6
109.06523	5.9
109.10134	17.0
111.04494	1.6
111.08076	11.9
113.06040	2.1
115.05492	1.2
117.07022	9.6
119.04870	1.3
119.08576	30.5
121.06533	2.2
121.10133	24.9
123.08076	4.1
123.11693	6.2
125.09612	3.9
129.06995	9.6
131.08560	20.8
133.06487	1.6
133.10129	17.7
135.08031	2.1
135.11674	13.3
137.09608	2.9
139.11182	1.4
142.07767	2.1
143.08566	3.2
145.10086	11.0
147.08067	2.7
147.11679	17.0
148.95079	1.0
149.09645	4.6
149.13220	6.2
151.71178	1.1
155.08488	1.6
157.10126	12.4
159.11646	6.3
161.13234	4.6
163.14827	1.3
163.96176	1.3
165.12772	2.1
169.10013	1.5
171.11697	2.5
173.13272	5.1
175.11174	9.8
175.14816	1.9
183.11658	2.1
185.13240	2.6
187.14818	3.2
189.11218	2.4
193.12234	49.3
197.13272	1.8
199.14862	1.9
211.13283	44.4
211.15250	2.3
215.40604	1.2
219.17282	1.1
227.12718	2.8
229.47325	1.6
237.39063	1.1
243.21130	1.3
249.14923	1.2
261.22202	7.5
267.15897	7.2
301.25250	5.9
303.23126	1.3
335.25919	5.6
337.14355	1.3
417.31891	2.0
435.32599	4.0
453.33636	4.7
471.34888	2.5
527.37311	18.1
545.38348	100.0
546.38477	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	545.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	1.6
53.03947	4.3
55.01857	5.5
55.05258	1.9
55.05512	33.4
57.03435	10.4
57.07067	3.9
59.04993	1.8
65.03934	3.7
67.05499	63.4
69.03419	4.2
69.07072	14.2
71.04986	4.6
78.23441	1.3
79.05494	39.4
81.03412	22.0
81.06574	3.0
81.07055	55.1
83.04971	4.8
83.08618	22.0
85.06551	3.4
91.05470	27.6
91.33582	1.4
93.07037	37.6
95.04969	22.5
95.08604	36.5
97.02887	1.4
97.06541	5.1
97.10170	17.7
104.03671	1.3
105.07030	29.8
107.04938	6.1
107.08589	26.5
109.06524	6.2
109.10156	23.3
111.08070	3.3
117.07023	18.0
119.08577	25.7
121.06498	7.0
121.10147	14.6
122.43960	1.7
123.08039	2.9
123.11718	7.2
125.09614	16.8
128.06233	2.5
129.07001	11.0
130.07707	1.5
131.08569	23.2
133.06503	3.6
133.10115	16.7
135.08051	6.3
135.11691	11.0
137.09573	2.4
141.07031	2.2
143.08522	9.3
145.06450	1.9
145.10109	17.1
146.93213	1.6
147.08067	4.4
147.11673	9.9
149.09628	3.5
149.13252	5.5
151.11215	1.9
155.08571	4.4
157.10146	9.2
159.08066	3.0
159.11674	17.1
161.09677	2.2
161.13280	8.2
163.11237	4.2
163.14838	2.2
167.08646	2.3
167.14417	1.8
169.10147	3.0
171.11731	4.9
173.09697	2.6
173.13223	9.7
175.11217	3.6
175.14819	4.2
177.12758	3.6
179.08617	1.5
181.10092	2.2
183.11685	4.1
185.13272	6.2
187.11246	1.9
187.14851	5.4
189.11232	12.2
189.16441	2.5
190.33765	1.7
193.12299	7.5
195.11754	2.3
197.13257	4.2
199.14803	3.5
201.12788	2.0
201.16431	2.5
205.15950	1.7
209.13248	2.5
211.13237	2.2
211.15027	1.8
213.16414	1.8
217.15878	2.0
221.15273	1.8
227.12714	16.3
233.15424	1.9
235.16801	2.4
243.15956	2.0
243.21169	2.6
243.74138	1.5
247.16937	1.7
259.16904	1.9
259.20551	1.7
261.22162	11.1
267.15887	22.5
275.20026	2.2
277.21259	1.5
283.24539	1.6
285.22183	4.2
287.19922	1.7
295.22876	1.6
299.23727	4.4
301.21854	2.3
301.25262	23.0
303.23251	1.8
317.24768	4.2
335.25854	15.5
359.25827	3.5
403.24591	2.2
417.31778	1.6
421.25876	4.3
435.27390	3.6
435.32611	8.2
453.33578	14.6
471.34631	14.0
489.35971	1.9
509.36389	3.1
527.37323	60.3
527.66315	2.0
545.38367	100.0
546.38953	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.4
55.05510	34.0
57.03427	10.4
57.07066	6.4
57.74241	2.3
65.03947	4.4
65.80441	2.0
67.05168	4.7
67.05505	69.0
69.03408	3.6
69.07069	29.6
70.84843	6.7
71.04999	3.6
72.46685	2.2
79.05493	52.3
81.03425	4.4
81.07056	71.4
81.09347	2.2
82.07393	3.2
83.04986	5.5
83.08601	17.1
85.06544	3.9
91.05477	42.1
91.06011	4.2
93.07045	57.4
95.04971	10.8
95.08607	48.9
97.06536	8.9
97.10184	10.8
99.08068	3.4
101.55402	2.9
103.05481	3.0
105.07029	39.1
107.04967	5.3
107.08596	31.6
109.06512	3.5
109.10149	16.9
111.08079	4.1
117.07015	22.7
119.08575	47.7
121.10155	21.1
123.08053	4.7
123.11708	8.2
125.09624	7.6
128.06267	2.8
129.07005	15.1
131.08572	40.1
133.10124	29.1
135.08011	4.7
135.11694	12.9
137.09575	3.7
141.07053	3.4
142.07803	2.6
143.08572	21.4
145.06490	2.9
145.10118	41.1
147.08122	2.7
147.11713	25.7
149.09633	5.0
149.13257	15.4
155.08556	9.9
157.10126	24.3
159.11694	34.1
161.13286	15.2
163.11249	3.1
165.12726	2.3
169.10146	14.6
171.11687	20.2
173.13269	23.7
175.11234	3.1
175.14835	5.5
177.12714	2.4
177.16484	2.3
181.10133	4.4
183.11668	10.8
185.13231	13.8
187.14792	6.9
189.11232	4.8
189.12808	3.9
189.16431	2.1
193.12215	3.2
195.11716	6.2
197.13226	8.2
199.14844	10.2
201.16371	4.4
209.13306	5.7
211.14848	6.2
213.16408	6.0
225.16379	3.6
227.12793	4.0
241.19585	9.3
243.21140	3.2
259.20499	17.5
261.22244	4.7
267.15961	11.2
269.17517	11.6
272.31973	2.3
275.20093	4.1
277.21188	3.5
297.22000	2.7
299.23465	3.2
301.25201	6.9
311.23691	3.1
315.23209	4.7
333.24200	10.1
335.26193	3.4
355.26175	2.5
359.25894	2.7
417.31439	7.0
423.32501	6.1
425.34009	9.5
435.32590	25.0
441.34180	3.0
453.33755	22.5
471.34641	18.9
499.37827	6.8
509.36145	7.6
515.37634	3.4
517.38977	25.8
527.37299	100.0
528.37598	3.2
545.38281	74.3
546.38147	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	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28202	1.1
53.03932	5.9
53.72367	1.1
55.01864	5.3
55.05257	2.3
55.05505	28.6
56.75821	1.1
57.03430	10.2
57.07057	2.2
65.03928	3.0
67.05499	56.4
68.00195	1.3
69.03413	4.8
69.07063	17.9
71.04985	5.0
79.05484	56.1
81.03410	35.6
81.07051	63.0
83.04968	9.2
83.08132	1.7
83.08612	22.8
85.02896	15.0
85.06527	2.9
91.05473	44.2
93.07036	55.3
95.04960	22.7
95.08598	36.5
97.02910	2.7
97.06524	4.6
97.10159	11.2
99.08062	2.4
103.03439	1.4
105.04558	1.6
105.07022	35.1
107.04962	5.7
107.08584	25.8
109.06503	5.8
109.10145	17.9
111.04422	1.6
111.08094	8.0
117.07015	10.8
119.04900	1.2
119.08577	28.1
121.06490	4.9
121.10129	22.8
123.08081	3.6
123.11701	6.5
125.09629	7.5
129.07002	11.7
130.07813	1.4
131.08543	19.8
131.09372	1.7
133.06477	2.6
133.10117	18.0
135.08034	3.5
135.11717	10.1
137.09612	3.0
141.07059	1.4
142.07765	3.5
143.08548	4.3
145.10098	12.4
147.08054	2.5
147.11662	17.8
149.09612	4.7
149.13254	6.8
155.08537	4.7
157.10100	11.8
159.11684	11.8
161.09746	1.4
161.13188	6.1
163.11224	2.2
163.14833	1.4
165.12804	1.8
169.10133	2.6
171.11725	3.6
173.13225	8.9
175.11143	11.1
175.14780	2.6
183.11757	2.2
185.13222	3.1
187.14836	3.4
189.11240	4.3
193.12236	37.3
195.11528	1.4
197.13313	2.9
199.14850	1.8
199.43156	1.4
201.16425	1.9
209.13365	1.2
211.13264	34.5
227.12808	6.8
243.21104	3.0
261.22153	10.7
267.15805	10.5
267.20981	1.7
285.22171	3.0
289.21719	1.5
301.25244	11.9
303.23184	2.8
317.24854	2.7
331.75375	1.4
335.25824	7.8
359.25806	2.5
417.31491	1.6
421.26169	1.7
435.32629	6.3
453.33646	10.4
471.34592	6.8
509.36353	2.4
527.30750	0.8
527.37305	32.1
545.38336	100.0
546.38232	2.2
552.31116	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29622	0.3
57.03454	0.3
61.02916	0.3
68.94417	0.3
69.03446	0.3
70.06568	0.3
71.04996	0.6
71.60443	0.6
79.05472	0.5
81.03442	0.4
81.07059	0.6
85.02895	1.3
91.05486	0.6
93.07050	0.4
95.04964	0.4
95.08578	0.4
103.05463	0.3
105.07042	0.5
107.04974	0.4
119.04947	0.9
123.04478	0.4
131.08560	0.4
137.05959	0.5
143.08653	0.4
147.04404	3.0
152.56099	0.3
153.01811	1.4
175.07480	0.4
195.02899	0.3
203.10583	0.4
238.84807	0.3
287.05746	0.3
340.05307	0.3
344.47482	0.3
365.26556	0.6
367.28098	0.6
383.27957	0.7
399.10840	1.1
527.31366	0.7
545.32953	100.0
546.33246	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.7
69.03429	0.5
71.04996	0.6
71.59981	0.7
79.05480	0.7
85.02890	1.7
85.14233	0.3
93.07056	0.4
93.61245	0.4
123.04427	5.4
123.15189	0.4
136.06194	2.1
137.02322	0.6
139.03897	1.3
147.04413	1.1
151.03903	1.3
153.01869	1.3
163.03928	0.4
181.04977	1.6
203.05287	3.2
287.05582	1.1
287.11661	0.4
302.04199	0.4
311.05542	1.9
339.08405	0.6
348.07037	0.5
349.07526	0.5
365.26523	5.8
377.01868	2.2
383.11166	6.2
383.15503	0.5
383.27499	1.2
384.11768	0.8
393.99188	0.4
395.02853	1.0
407.07486	0.4
467.09781	0.6
485.07599	0.6
515.32092	0.5
527.31781	0.5
545.20471	16.0
545.32922	100.0
546.20135	1.0
546.33551	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88986	0.4
64.25013	0.4
69.56694	3.3
71.04993	0.6
81.03437	0.6
85.02868	0.8
86.09712	0.7
87.24561	0.5
97.02876	0.6
123.04456	0.9
130.06572	0.6
137.02321	0.6
137.05992	1.2
139.03957	0.5
144.08109	1.2
147.04459	1.1
151.03970	0.6
153.01900	1.0
156.11702	0.4
184.11093	0.4
203.05229	6.9
207.99673	0.4
287.05463	1.9
297.10934	0.4
303.05035	0.5
311.05469	7.7
312.06024	0.5
323.05322	0.5
339.08603	10.1
339.12616	0.5
340.09045	0.9
365.22797	0.4
365.26596	20.2
377.01871	2.2
383.11221	29.8
384.11450	2.4
428.03860	0.5
509.97519	0.5
545.20416	17.6
545.32947	100.0
546.20288	1.2
546.32977	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.199
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
68.51309	0.2
70.02470	1.2
87.37727	0.2
92.97874	0.3
93.76479	0.2
98.00656	0.3
98.20831	0.5
107.04990	0.4
114.57037	0.3
123.04320	0.3
141.14857	0.3
147.04356	0.4
185.04218	0.5
196.63766	0.3
309.09302	0.3
311.05585	0.4
339.08823	0.3
383.11108	1.3
383.15353	2.1
395.07562	0.3
545.19928	100.0
546.20300	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	545.1987
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
52.19086	0.4
69.63241	3.4
91.14129	0.5
100.98734	0.4
103.51120	0.4
115.53689	0.5
117.67572	0.4
152.18648	0.4
153.01802	0.4
158.30763	0.4
169.45732	0.4
176.63242	0.5
203.05260	3.4
221.45824	0.4
311.05545	2.6
339.08594	4.3
365.26648	6.1
383.11227	11.3
415.84879	0.5
454.80508	0.5
545.19983	100.0
545.32733	39.9
546.20404	2.2
548.21783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.2
61.02891	1.7
62.50370	1.6
67.05486	5.5
71.04989	23.4
71.59245	3.3
72.10289	1.7
79.05491	4.0
81.03393	2.0
81.07040	2.8
85.02897	23.5
91.05471	1.8
93.07041	1.9
95.04971	2.6
97.02885	1.7
97.06512	2.5
123.04365	2.1
129.05489	5.0
147.04440	5.6
147.06454	1.8
163.98035	1.7
187.70511	1.7
273.03888	17.2
297.15750	1.8
301.03479	15.7
302.04172	18.3
303.05048	8.9
313.03131	2.6
399.10739	100.0
441.11984	2.3
518.46759	2.0
545.30536	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	543.368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08945	0.8
53.03938	2.9
55.01862	4.0
55.05253	1.8
55.05507	18.5
57.03426	5.1
57.07068	1.8
64.54675	1.0
65.03926	1.8
67.05501	33.0
69.03425	2.8
69.07066	12.0
69.55801	5.6
69.56219	2.8
71.04988	2.0
79.05492	20.7
80.30611	0.9
81.03433	4.9
81.06574	1.5
81.07053	27.7
81.07519	1.7
82.08916	0.9
83.04971	3.4
83.08613	8.5
85.06548	1.7
91.05474	23.0
93.07037	21.8
95.04967	7.6
95.08597	15.7
97.06551	3.3
97.10170	8.9
98.20914	3.4
99.08098	1.5
103.05476	1.5
103.46426	1.0
105.07029	18.3
107.04974	3.9
107.08580	11.5
109.06521	1.8
109.10150	10.9
111.08080	2.9
115.05429	1.7
117.07014	13.4
119.08572	14.0
121.06491	3.3
121.10128	5.9
123.08051	1.8
123.11735	1.8
125.09591	5.7
128.06204	2.1
129.07004	11.4
130.07799	1.2
131.04855	1.3
131.08563	17.1
133.06496	2.7
133.10130	10.8
135.08080	2.9
135.11711	2.6
137.09589	1.9
141.07005	4.0
142.07774	1.5
143.08571	11.2
145.06522	3.4
145.10127	13.8
147.08055	2.4
147.11684	6.0
149.09631	2.7
149.13263	2.5
151.11250	1.3
155.08549	8.2
157.06453	1.4
157.10133	11.7
159.08058	3.2
159.11678	10.3
161.09566	1.6
161.13301	2.4
163.11186	1.2
167.08492	2.2
169.10126	7.4
171.11665	8.0
173.09673	3.0
173.11940	1.1
173.13235	5.2
173.23579	1.0
175.11177	2.4
181.10103	2.8
183.11697	7.7
185.09677	2.0
185.13176	6.1
187.11166	2.4
187.14839	2.7
189.11186	2.4
189.12775	1.7
193.12294	1.0
195.11703	3.3
197.13292	3.8
199.11349	1.7
199.14807	3.3
201.12712	1.3
203.14307	1.0
207.11748	1.8
209.13301	4.1
211.14886	3.1
213.12823	1.5
215.14421	1.6
221.13228	1.5
223.14783	2.0
225.16472	1.5
227.12769	1.6
229.14279	1.2
241.19511	1.9
245.15132	1.0
254.62518	1.1
257.18881	1.4
258.76434	1.0
259.20566	3.3
265.19501	1.2
267.15851	1.6
275.20084	2.8
283.20663	2.4
287.16409	1.0
297.21878	1.8
299.23746	4.5
313.21582	1.9
325.21634	1.4
333.24283	1.4
357.24124	1.2
371.25659	1.4
379.26495	1.4
387.53140	1.1
415.29724	3.0
423.32571	2.9
433.31091	8.1
451.32001	10.5
469.33118	5.9
507.34683	1.3
515.37152	2.4
525.35724	20.5
543.36780	100.0
544.37054	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	543.3677
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03938	2.1
55.01867	3.4
55.05259	1.1
55.05513	15.6
57.03429	3.0
57.07070	1.4
64.95422	0.7
65.03937	1.4
67.05504	25.3
69.03420	1.8
69.07064	8.2
71.04989	1.3
75.66300	0.6
79.05491	21.0
81.03409	5.6
81.07057	21.5
83.04985	3.9
83.08611	9.0
85.06543	1.3
91.05478	15.6
93.07040	17.4
95.04974	5.0
95.08604	12.4
97.06541	1.7
97.10165	8.1
105.07027	16.5
107.04942	2.8
107.08592	11.0
109.06516	2.4
109.10156	8.9
111.08070	2.2
115.05467	2.4
116.04644	0.6
117.07001	9.5
119.08584	12.1
121.06515	2.5
121.10157	5.7
123.08045	1.9
123.11745	1.7
125.09640	6.0
128.06236	2.1
129.07002	8.8
131.08574	14.1
133.06445	0.7
133.10126	8.7
135.08057	1.8
135.11679	4.5
137.09621	1.5
139.11273	0.8
141.06990	4.3
142.07759	2.0
143.08548	10.4
145.06491	2.4
145.10115	12.8
147.08029	1.2
147.11702	6.0
149.09621	2.3
149.13246	1.5
154.07813	1.0
155.08536	5.8
156.09267	0.9
157.06499	1.2
157.10130	10.3
159.08060	3.2
159.11690	9.3
161.09596	1.3
161.13229	2.4
163.11205	1.8
167.08580	2.1
169.10126	6.1
171.08066	1.7
171.11644	7.1
173.09677	2.1
173.11847	1.3
173.13197	5.2
175.11186	1.6
175.14757	0.9
177.12714	1.3
179.08534	0.7
179.14317	1.7
181.10106	3.6
183.11671	4.2
185.09671	1.5
185.13252	5.6
187.11180	2.0
187.13306	1.0
187.14865	2.3
189.11256	2.1
189.12842	1.1
193.10245	0.7
193.12221	2.6
195.11702	4.3
196.57866	0.7
197.13295	4.1
199.11308	1.8
199.13173	0.7
199.14836	3.3
201.16342	0.8
207.11708	1.3
209.13293	2.0
211.14886	2.6
213.12866	1.0
213.16460	1.3
215.14313	1.2
221.13206	1.4
223.14891	2.2
227.12778	3.0
227.18054	0.9
229.14217	1.2
229.77611	0.8
235.14832	1.0
237.16393	0.9
239.18088	1.1
241.19562	1.8
255.17459	0.7
259.20569	3.7
265.19617	0.8
267.15936	2.5
275.20139	2.6
277.21674	2.0
281.22797	0.9
283.20639	2.1
287.20227	1.2
297.18658	1.1
297.22205	2.3
299.20593	1.1
299.23639	5.1
301.21817	1.0
313.21622	1.3
315.23279	1.1
339.23410	1.0
343.22589	0.9
357.24292	1.4
371.25684	1.0
415.30255	1.8
423.32437	1.9
433.31085	7.7
451.32019	11.0
469.33163	5.5
486.78592	0.9
487.34363	1.4
489.33841	1.0
507.34485	1.7
511.77911	0.8
515.37360	2.0
525.27655	0.8
525.35791	18.2
543.36810	100.0
544.37067	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	543.3678
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03942	1.0
55.01862	3.2
55.05260	1.0
55.05509	14.7
55.43102	0.6
55.99515	0.6
57.03452	3.5
57.07074	1.5
59.04988	1.2
65.03918	1.2
67.05501	23.2
69.03425	1.5
69.07066	8.0
69.32684	7.7
71.04979	1.9
71.08640	0.9
76.59129	0.7
79.05489	15.8
81.03428	3.8
81.07052	19.9
83.04979	1.6
83.08611	7.1
85.06552	1.2
91.05478	14.6
93.07035	15.2
95.04945	5.5
95.08603	11.5
97.06538	1.3
97.10164	7.0
98.20731	1.5
99.08083	0.8
102.52785	0.7
105.07025	11.1
107.04951	2.3
107.08588	10.2
109.06499	2.0
109.10162	8.4
111.08115	2.4
115.05453	1.5
117.06996	8.8
119.08576	11.0
121.06529	2.8
121.10143	4.0
123.08074	1.4
123.11674	1.8
125.09616	5.6
128.06242	2.6
129.06982	8.3
130.07787	0.8
131.08549	12.7
133.06497	2.3
133.10132	6.7
135.08064	2.3
135.11717	3.0
137.09554	1.0
141.06949	2.2
142.07808	2.4
143.08572	7.9
145.06493	2.3
145.10118	10.9
147.08029	2.0
147.11670	4.8
149.09627	2.4
149.13257	1.5
155.08582	5.1
156.09410	1.1
157.10138	6.7
159.08069	3.7
159.11676	7.0
161.09660	1.8
161.13275	3.0
163.11168	1.5
167.08629	2.2
168.09308	1.1
169.10123	4.0
171.08043	1.2
171.11671	8.1
173.09651	2.5
173.11955	0.9
173.13237	4.7
175.11214	1.2
175.14810	1.1
181.10059	3.7
182.28970	0.7
183.11667	4.9
185.09598	1.5
185.13222	5.1
187.11101	1.4
187.14845	1.5
189.11241	3.2
189.12767	1.0
193.10164	1.0
193.12222	1.5
195.11597	3.6
197.13292	3.2
199.11172	1.4
199.14828	2.1
201.12735	1.0
201.16315	0.9
209.13159	1.6
211.14867	1.6
213.16418	1.3
221.13339	0.9
223.14790	1.3
227.12704	1.6
229.14392	1.0
235.14908	0.7
237.16399	0.9
241.19514	1.3
257.19031	1.2
259.20651	2.9
267.16083	2.2
275.17157	0.8
275.20041	1.7
283.20563	2.1
285.22037	1.0
297.18265	0.9
297.22183	2.0
299.20374	1.2
299.23526	4.3
313.21753	0.9
315.23248	1.1
321.21872	0.9
325.21881	1.1
329.21078	0.9
333.24319	0.8
339.22876	1.0
353.24612	0.9
357.24301	1.2
403.15164	0.8
415.30280	1.7
423.32587	2.5
427.28317	0.8
433.30991	4.4
451.32101	9.8
469.33112	4.8
487.34122	1.6
507.34604	1.3
515.37323	2.5
525.35718	15.3
538.05316	0.8
543.36768	100.0
544.37067	2.5
548.29474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59265	0.5
66.31781	0.4
71.59158	0.8
74.89998	0.5
79.05490	1.1
85.02886	1.3
88.11282	0.6
89.78732	0.5
91.05459	1.4
93.07014	1.4
95.04953	0.5
97.43475	0.7
98.52510	0.5
98.97562	0.8
103.05467	7.0
107.04964	2.3
119.04972	1.5
120.08101	100.0
123.04416	0.5
131.04903	1.9
135.04407	0.5
137.05989	1.1
147.04404	3.0
149.05986	2.3
166.08630	48.6
167.07021	1.4
179.07013	2.9
196.32727	0.6
378.42188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02356	0.7
53.03940	3.3
53.38428	0.7
55.01839	3.2
55.05507	13.5
57.03401	2.5
57.07047	2.0
64.96369	0.7
65.03902	2.9
67.05501	35.7
69.03419	1.0
69.07064	10.1
70.36577	0.7
71.04956	2.4
73.02879	1.1
79.05489	42.2
81.03375	2.7
81.07056	33.5
83.05003	4.6
83.08622	9.2
85.06499	1.2
91.05474	23.1
93.07038	56.5
95.04963	11.3
95.08601	45.3
97.02881	3.3
97.06509	3.7
97.10124	2.3
98.21530	1.3
99.04427	3.2
103.05458	0.6
105.04485	1.4
105.07027	15.7
107.04949	6.0
107.08589	34.4
109.06490	2.6
109.10136	6.7
111.04412	1.2
111.08064	1.5
115.05431	0.8
117.06999	13.1
119.07792	1.0
119.08570	14.1
121.06514	5.2
121.09327	1.5
121.10135	19.9
123.07977	0.9
123.11666	1.4
125.05943	2.6
129.06949	1.4
130.07755	2.3
131.08562	6.4
133.10130	8.2
135.08018	2.6
135.11681	46.1
139.07512	1.3
143.08543	2.0
145.10114	29.4
147.11621	2.9
149.13274	3.6
149.15401	0.6
157.10065	1.0
159.11665	3.2
161.13248	2.6
163.11174	58.1
173.09624	0.9
173.13179	1.8
175.14848	1.2
181.12231	13.4
183.83014	0.6
187.14844	1.4
199.14780	0.8
209.11754	2.2
227.12761	100.0
235.12524	0.7
243.21033	2.4
247.16907	0.7
261.22137	7.2
275.20081	1.6
317.24701	1.9
433.31039	1.0
451.32083	1.1
469.33194	1.4
525.35608	1.0
543.36810	51.3
544.36896	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	2.0
56.96550	0.5
58.06004	0.4
68.12891	0.4
69.65807	0.9
69.66212	2.1
84.08141	63.1
98.88554	0.5
98.97577	0.6
100.99029	0.4
116.98669	0.8
130.08636	100.0
131.08995	0.6
136.06171	0.5
219.01704	0.5
237.02901	0.6
240.19499	0.4
379.55624	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87755	0.7
51.02365	0.9
57.46475	0.7
58.06599	48.5
58.09221	0.6
69.03422	1.8
69.91833	1.2
69.92232	2.7
71.94599	0.7
76.07644	10.9
76.64539	0.6
79.01833	3.0
81.03400	4.4
85.02881	1.9
88.51296	0.6
97.02869	3.1
99.04454	0.9
100.07612	0.6
104.23406	0.6
107.01264	0.8
109.02866	2.9
125.02346	3.9
127.03876	3.1
143.03403	5.4
145.05067	0.7
153.01826	100.0
171.02850	4.7
197.04413	11.3
228.08650	12.7
230.35019	0.8
297.06012	4.7
315.07117	5.9
381.81018	0.6
390.14310	0.8
485.09283	2.6
511.10901	1.4
542.14868	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	542.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57801	0.3
56.05025	1.6
58.06591	2.1
58.79945	0.2
70.66900	0.6
70.67266	0.5
75.24895	0.3
76.07640	0.3
81.03425	0.4
84.08137	57.4
85.02912	0.8
90.65952	0.3
95.66135	0.3
97.02908	0.2
101.25159	0.3
127.03883	0.4
130.08630	100.0
131.08949	0.5
143.03372	0.5
145.04999	0.3
153.01839	4.6
153.03020	0.5
161.02841	0.3
181.48268	0.3
191.03754	0.4
197.04459	0.6
218.14313	0.3
228.08591	0.5
273.08231	0.4
423.60440	0.3
539.12213	0.3
542.14868	0.6
543.12885	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.0
51.02381	1.7
53.03941	7.1
54.32882	0.7
55.01859	3.5
55.05507	26.2
56.18046	0.7
57.03429	2.9
57.07074	4.3
61.23366	0.9
65.03935	6.1
67.05500	82.7
69.03412	1.7
69.07064	20.4
69.33868	6.8
70.06580	0.8
71.04984	3.0
71.08609	1.1
73.06548	1.0
77.03923	1.4
78.04710	1.2
78.77747	0.7
79.05489	100.0
80.05818	0.7
81.03419	6.6
81.07052	69.0
83.04977	10.5
83.08617	9.3
85.06542	3.3
85.91513	0.8
88.07618	1.5
88.76537	0.8
89.38909	1.0
91.05474	67.7
93.07037	90.1
95.04965	26.3
95.05549	1.4
95.08602	48.8
97.06525	6.2
97.10156	3.8
99.08112	1.0
103.05469	1.7
105.04520	3.1
105.07024	48.2
107.04926	3.7
107.08585	30.6
109.06515	5.6
109.10144	12.4
111.08076	2.1
111.11784	0.9
115.05473	2.2
117.07012	15.2
119.08575	29.9
121.06513	2.5
121.10132	21.5
123.08044	6.6
123.11730	2.8
127.07515	1.2
128.06189	3.7
129.07008	14.4
130.07814	1.2
131.08563	12.2
133.10120	16.4
135.11687	12.1
137.09642	1.5
141.06938	1.2
141.09140	0.9
142.07840	1.1
143.08572	9.9
145.10114	14.7
147.08092	2.0
147.11678	33.6
149.13261	3.5
155.08585	2.1
156.09279	1.1
157.10150	2.8
159.11682	7.1
161.09621	3.4
161.13240	11.1
163.11250	0.9
163.14845	1.7
167.08589	0.9
169.10191	2.2
171.11670	20.4
173.13258	4.6
175.14833	2.0
181.10069	1.0
183.11684	2.2
185.13242	2.2
187.14828	1.8
189.12741	7.7
189.16371	1.1
195.11667	1.3
197.13266	1.7
199.14937	1.4
207.13791	24.3
225.14726	4.0
243.21104	1.8
256.26392	3.3
257.26633	1.0
261.22101	5.1
281.17416	1.8
283.26361	0.8
299.79056	0.9
304.11270	0.8
311.29443	1.2
312.29703	1.8
317.24707	2.0
402.62439	0.8
449.34125	3.0
467.35101	1.8
523.38043	2.8
540.53064	3.9
541.38892	88.1
541.53705	7.5
542.39056	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40847	1.0
51.76828	0.8
53.03943	2.7
55.01864	2.3
55.05507	20.1
55.48589	0.9
57.03445	4.7
57.07085	4.1
65.03932	1.9
67.05499	38.1
69.03429	1.6
69.07060	13.3
71.05001	2.6
71.08630	1.7
71.11568	1.6
71.11899	1.3
77.03951	0.9
79.05485	32.6
81.03407	5.6
81.07047	29.4
81.07503	1.3
83.04983	4.0
83.08614	9.2
85.02898	1.0
85.06533	1.9
89.79565	0.9
91.05473	28.3
93.07036	29.9
95.04967	9.5
95.08601	21.8
97.06529	3.9
97.10174	5.0
99.08122	0.9
103.05441	1.6
105.07018	24.9
107.04983	2.1
107.08575	13.6
109.06532	3.1
109.10145	7.3
109.33010	0.9
111.08066	1.7
115.05443	2.4
117.07012	12.3
119.08570	15.2
121.06541	1.2
121.10142	9.0
123.08054	2.0
123.11718	1.7
125.09692	1.8
128.06229	4.1
129.06999	15.1
131.08557	23.1
131.09499	1.2
133.10129	10.2
135.11703	4.8
137.09610	1.2
141.06975	4.3
142.07820	3.6
143.08551	20.1
145.06575	1.4
145.10117	20.2
147.08098	1.3
147.11676	10.3
147.12616	1.0
149.09665	2.2
149.13297	2.2
149.54189	0.8
153.06992	1.8
154.07820	1.4
155.08530	12.0
156.09389	2.5
157.10124	17.2
159.08086	1.0
159.11688	6.8
161.09674	1.3
161.13228	4.3
163.14879	2.0
165.06992	1.4
167.08615	3.7
168.09360	1.4
169.10138	16.4
170.10873	1.3
171.08138	1.0
171.11664	15.1
173.13240	4.4
175.14810	1.4
179.08511	1.8
181.10106	8.1
182.10895	1.8
183.11639	8.8
185.13235	7.9
187.11230	1.3
187.14723	4.5
189.12798	1.8
193.10025	1.6
195.11661	5.8
197.11621	1.3
197.13269	7.0
199.14742	5.5
201.16412	2.2
205.10150	1.0
207.11755	2.7
207.13876	3.9
209.13286	4.2
211.11273	1.3
211.14798	4.4
213.16469	4.6
215.18198	1.4
221.13266	2.7
223.14999	2.2
225.16429	4.4
227.18016	2.4
235.14909	1.8
237.16425	2.4
239.17999	2.9
243.21211	2.8
249.16444	1.1
251.18123	1.5
253.15988	1.2
253.19687	1.3
255.17842	0.9
257.19269	0.9
261.22281	2.5
275.20154	3.7
281.17572	2.1
283.20685	1.1
285.18610	1.5
297.22186	1.7
311.20438	1.0
313.21735	1.8
317.24792	2.1
325.25339	1.7
337.25372	1.6
339.26825	1.4
351.22879	0.9
351.26898	1.9
353.24890	1.5
361.24835	1.4
363.26923	1.4
367.26022	1.1
381.28061	1.0
431.33347	7.3
449.34283	16.2
467.35376	5.2
485.36276	3.7
487.35477	1.1
505.37021	2.5
523.38098	11.8
541.39032	100.0
542.39276	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06929	0.6
51.02366	1.8
53.03939	8.2
55.01870	3.5
55.05507	25.7
57.03422	2.6
57.07066	2.1
61.48347	0.7
65.03938	6.7
67.05499	83.5
69.03409	2.5
69.07063	15.6
69.07445	0.7
71.04995	3.3
71.08626	0.9
73.06539	1.2
77.03906	1.5
79.05485	100.0
81.03414	8.7
81.07049	70.5
83.04977	11.8
83.08616	9.9
85.02896	0.9
85.06548	3.4
86.21464	0.6
88.02585	0.7
91.05473	71.3
93.07034	84.4
95.04963	25.4
95.08599	45.1
97.02898	1.3
97.06511	4.6
97.10154	5.3
99.08124	1.1
101.06033	0.7
103.05462	1.1
105.04519	2.2
105.07020	46.7
107.04941	4.5
107.07851	1.5
107.08585	30.2
109.06512	6.9
109.10142	11.6
111.08091	2.2
115.05447	2.6
117.07008	13.2
119.08567	28.4
120.85197	0.6
121.06517	2.6
121.10133	21.8
123.08038	5.0
123.11707	2.0
125.09592	0.7
127.07575	1.6
128.06206	2.2
129.07002	14.7
130.07788	0.7
131.08557	13.7
133.06535	1.5
133.10112	15.7
133.11060	0.9
133.42433	0.7
134.69789	0.6
134.70981	0.6
135.08083	0.9
135.11690	10.8
137.09612	1.1
141.06979	1.2
141.09056	1.0
142.07784	1.2
143.08548	11.1
145.10109	15.8
147.08073	1.5
147.11671	31.2
147.51794	0.7
149.13239	3.4
155.08553	1.4
156.09402	0.9
157.10150	3.0
159.11697	6.2
161.09586	3.5
161.13243	11.8
163.11189	1.1
163.14798	1.1
163.35219	0.8
167.08357	0.9
169.10127	2.1
171.11684	26.4
173.13268	3.6
175.14862	1.5
179.14381	1.1
181.10123	0.8
182.09407	0.7
183.11717	2.0
185.13258	2.1
187.14810	1.8
189.12737	9.6
193.10550	0.7
195.11852	0.7
197.13255	1.1
199.14870	1.3
207.13776	24.9
209.13298	0.9
211.14763	1.1
222.48247	0.9
225.14798	2.6
256.26385	1.5
259.20462	1.1
261.22141	4.9
281.17499	1.5
311.29526	1.2
315.23160	0.8
317.24680	1.5
449.34247	2.3
467.35034	0.7
523.37549	2.0
540.53583	1.3
541.38849	75.6
541.53491	3.3
568.79474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2279
Annotation	Erizomycin
Peak:m/z	Relative Intensity
51.02370	0.6
53.03933	0.8
55.01566	0.3
55.01860	0.3
55.05502	0.8
57.03428	0.8
58.33307	0.3
59.87873	0.3
67.05495	1.2
69.03433	2.8
69.07053	1.1
70.28133	0.6
70.28540	1.4
71.04982	1.2
79.01851	3.3
79.05504	1.0
79.77119	0.3
81.02970	0.5
81.03416	6.2
81.07031	2.3
83.04977	1.3
83.08604	0.8
83.90075	0.3
85.02901	3.2
85.06517	1.2
91.05464	1.2
93.07036	2.8
95.04967	0.5
95.08609	2.9
97.02892	4.4
97.06512	0.5
98.11745	0.3
99.04424	0.8
99.08076	2.7
105.07038	1.6
107.01311	1.7
107.04928	1.0
107.08599	5.6
109.02876	4.4
109.06516	1.3
109.10155	1.8
111.08086	0.8
113.82316	0.3
119.08598	1.0
121.06538	2.2
121.10133	4.6
123.08044	2.0
123.11678	0.4
125.02353	3.7
125.05981	0.5
125.09632	0.9
127.03905	6.5
131.08569	1.6
133.10118	2.6
134.91927	0.3
135.08046	1.6
135.11656	0.4
137.09630	1.1
138.34026	0.3
139.11186	0.7
143.03395	5.6
145.04994	0.7
147.11674	1.0
149.09618	11.6
149.13289	2.2
151.11192	2.1
153.01823	100.0
153.09074	0.9
154.02190	1.0
161.13251	0.4
163.14836	3.5
171.02887	12.1
173.13240	2.8
173.46034	0.3
191.14291	8.1
209.15353	12.3
279.05042	0.7
297.06049	8.4
315.07101	11.1
498.79318	0.4
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
51.02365	1.5
53.03940	3.9
55.01875	8.3
55.05261	1.5
55.05513	21.5
55.36946	0.9
57.01752	0.9
57.03428	4.5
57.07072	2.2
58.49361	0.9
60.80315	1.1
64.54314	1.1
65.03931	2.0
67.05506	32.0
69.03420	3.9
69.07070	15.4
69.47501	7.3
71.04995	2.4
79.05054	2.0
79.05492	29.8
81.03416	26.8
81.06577	1.4
81.07052	29.7
83.04983	5.7
83.08618	15.5
85.02954	1.2
85.06554	1.6
91.05479	27.3
93.07046	23.0
95.04969	16.6
95.08605	16.0
97.06527	7.9
97.10165	11.6
98.21533	1.8
101.20861	1.1
105.04497	1.1
105.07028	23.1
107.04958	9.3
107.08589	18.1
109.02833	0.9
109.06495	4.7
109.10162	9.9
111.04384	1.4
111.08067	3.3
115.05470	3.5
117.07014	10.0
119.08575	20.0
121.06501	4.9
121.10133	8.1
123.08078	3.2
123.11701	3.1
125.09631	6.8
128.06253	3.4
129.07008	10.7
131.04930	1.3
131.08557	14.0
133.06512	2.9
133.10129	12.2
135.08080	2.2
135.11713	3.5
137.09560	1.7
137.87637	1.0
141.07016	4.7
142.07753	2.6
143.08556	9.4
145.06499	4.1
145.10136	12.1
147.08096	3.8
147.11716	7.3
149.09633	6.5
149.13231	1.5
151.11211	1.6
153.07011	1.7
153.09091	2.3
155.08517	5.0
156.09189	1.3
157.06512	2.0
157.10127	12.9
158.07303	1.1
159.08086	2.9
159.11691	7.9
161.09677	2.9
161.13312	2.7
163.11200	4.3
167.08536	3.6
168.09351	1.1
169.10118	7.9
171.08032	2.8
171.11617	8.9
173.09598	2.3
173.11890	1.0
173.13271	3.3
175.11232	3.6
177.12839	1.8
179.08574	1.2
179.14316	2.8
181.10196	3.2
183.08136	2.3
183.11728	7.0
185.09651	3.2
185.13287	3.0
187.11203	2.1
187.14841	2.0
189.09567	0.9
189.11188	5.7
189.12737	1.0
193.10385	1.6
193.12195	11.9
193.13542	0.9
195.08089	1.3
195.11774	4.0
197.09644	2.7
197.13268	2.6
199.11235	2.4
199.14862	1.6
201.12840	1.6
207.11774	2.3
209.13304	3.0
211.11299	1.8
211.14886	1.9
213.12770	2.0
213.16408	1.4
221.13243	1.4
223.14914	1.2
225.12756	1.1
227.12595	1.8
227.14529	1.4
249.14789	1.6
255.17569	1.2
257.19125	3.7
275.20068	23.1
278.41504	1.3
288.32465	1.0
293.21222	2.2
295.20761	1.5
297.22217	3.0
299.20084	3.8
311.20114	1.7
315.23022	1.6
317.21365	1.6
319.20453	1.4
323.20200	1.0
333.22113	1.3
337.21704	1.7
339.23056	1.5
349.23730	1.5
355.22745	2.9
421.25888	1.3
421.31213	1.7
429.26471	1.9
431.29419	6.2
449.30585	11.3
465.74640	1.1
467.31610	9.9
485.32932	3.4
523.34131	10.2
541.35291	100.0
542.35504	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	541.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01855	0.5
57.03445	0.7
59.04982	0.4
61.02900	0.3
64.83105	0.4
67.05499	1.7
69.03423	3.0
69.07063	0.8
70.06646	0.4
70.39546	0.4
71.04999	1.9
71.59789	0.6
79.01841	2.9
79.05490	1.4
81.03412	4.8
81.07053	1.6
83.04991	0.7
85.02904	6.2
85.06542	7.4
87.04414	0.4
91.05473	2.3
93.07024	2.2
95.04961	1.1
95.08596	1.2
97.02885	3.5
97.06528	0.5
99.04515	0.5
99.08081	0.6
105.07021	1.5
107.01324	2.1
107.04931	1.0
107.08590	1.5
109.02867	4.9
109.06512	1.5
109.10152	0.9
111.04451	1.2
117.06991	0.4
119.04928	0.9
119.08574	2.0
121.06485	1.7
121.10146	1.8
123.04456	0.8
123.08073	0.5
123.11698	0.4
125.02338	3.7
125.06001	0.9
127.03909	7.5
129.06964	0.9
131.08556	5.3
133.06427	1.1
133.10159	0.5
135.11639	0.8
137.06003	0.8
139.07487	0.7
143.03394	7.0
145.06456	0.6
145.10089	2.9
147.04428	2.3
147.08055	0.9
147.11708	0.5
149.05995	0.7
149.09610	4.4
151.07535	1.3
153.01822	100.0
154.02159	0.7
159.08049	0.7
163.07526	0.6
163.11182	1.4
165.05458	0.4
165.09096	0.7
167.06981	1.1
167.10696	2.1
169.08681	0.6
171.02878	11.0
173.09578	0.5
175.07539	0.7
179.07146	0.5
191.10663	5.0
193.04956	0.9
197.09781	0.4
209.11714	6.9
219.10168	1.1
221.11720	0.5
227.12775	8.4
237.03087	0.4
237.11223	0.6
249.11229	0.5
275.12631	0.5
279.05035	0.7
297.05975	3.6
305.14066	0.5
315.07062	11.2
317.13831	1.8
353.15710	0.7
371.17108	0.4
463.06152	0.5
505.16998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.9
52.97768	1.0
54.47269	1.0
55.01868	3.2
55.05504	2.6
56.96557	1.8
57.03432	1.3
59.34311	1.2
67.05489	1.9
68.99823	1.6
69.07062	1.2
70.17582	1.1
71.04996	1.4
71.41998	1.6
75.89052	1.2
79.01855	6.9
79.05479	2.2
81.07041	2.9
85.02879	2.4
86.09729	1.0
91.05460	2.2
95.04961	3.3
95.08632	1.4
97.02892	2.7
97.06535	2.9
105.03381	2.1
107.01314	1.6
107.04926	1.5
109.02859	1.6
117.03373	1.7
117.07040	1.0
119.04950	4.5
123.04424	100.0
125.02347	5.1
127.03928	3.1
131.04893	3.1
131.06560	1.1
135.04478	2.6
137.05974	5.2
139.03911	17.1
143.03410	10.3
145.02849	3.6
147.04401	26.3
149.05989	2.3
151.03909	20.7
153.01831	85.6
153.02858	3.8
161.06027	4.1
163.03894	20.1
163.07533	3.6
165.05492	13.7
169.04953	2.5
173.05980	5.8
176.04771	2.5
177.05482	12.1
177.09041	2.2
179.06982	1.1
181.06418	1.5
181.08656	3.6
189.05444	13.9
191.07118	1.7
193.08617	29.0
205.08640	11.8
207.06454	2.7
211.07552	1.5
213.05486	2.0
219.10118	8.1
225.11076	1.9
229.08580	2.7
231.06508	1.5
231.10121	6.7
237.11212	11.1
239.07103	1.2
243.06538	2.0
249.11101	6.1
263.05643	1.0
273.07538	5.1
285.07516	12.3
303.08865	1.4
311.09167	1.8
327.12283	27.3
329.10266	4.9
345.13162	6.3
353.13843	4.2
371.14865	20.3
387.16342	1.5
389.15924	23.5
447.80157	1.2
461.16605	1.3
513.46503	1.3
541.17047	2.6
541.30151	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	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95816	0.3
57.03426	0.6
61.02921	0.6
69.03415	0.9
69.49866	1.7
69.50279	1.0
76.07608	0.4
81.03404	0.6
85.02903	5.1
91.05456	1.1
97.02876	1.2
110.37511	0.3
111.01446	0.3
115.05450	0.9
123.04405	0.4
127.03911	0.8
128.06239	0.7
128.76625	0.4
129.07001	5.4
131.04890	0.6
131.08566	5.6
137.06017	1.7
141.07001	3.7
144.05571	0.5
145.04951	0.6
145.06528	0.5
153.51436	0.3
157.06499	4.9
158.07292	2.5
159.08040	4.6
160.05234	0.6
161.09660	0.9
162.07625	0.7
169.06496	1.9
170.07257	1.4
171.04344	0.5
174.06758	10.7
175.07542	2.9
180.08617	1.0
186.06750	3.1
188.08340	0.5
188.75783	0.3
189.09099	21.9
191.10638	1.7
201.09102	8.3
207.10229	0.5
219.10156	100.0
220.10539	0.8
237.11185	1.3
445.77628	0.4
496.18408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.7
55.64414	0.7
57.03431	0.8
61.02913	0.9
69.03417	2.2
69.40762	2.2
69.41183	5.3
70.06577	0.8
71.04985	2.3
81.03412	1.8
85.02906	10.9
91.05463	7.7
91.34465	0.8
95.04961	2.9
97.02892	2.0
103.05479	2.1
105.07001	0.9
107.04959	2.8
109.02806	0.8
109.06493	2.0
119.04949	6.9
121.06508	2.4
122.03662	1.8
123.04375	0.9
123.08109	0.9
127.03841	1.2
129.06985	4.0
131.04903	1.7
132.68091	0.7
133.06450	1.4
135.08058	2.5
137.05968	33.0
145.06485	2.0
147.04416	1.7
147.08020	0.8
149.05983	5.1
151.03937	1.5
151.07542	44.4
152.06291	0.9
153.01848	1.4
153.33714	0.8
157.06506	4.8
161.05952	5.6
161.09630	1.1
163.07523	12.2
165.06964	1.7
165.09111	2.5
166.07693	0.8
167.08569	4.9
174.06715	2.1
175.07556	2.5
177.09129	2.3
178.07710	1.2
179.08473	0.8
181.93520	0.8
189.09100	15.7
193.06531	2.2
193.10127	3.3
194.07213	1.3
195.08055	10.4
203.08577	1.1
207.10133	3.0
209.09612	1.8
210.06685	1.3
211.07582	1.2
212.08311	1.6
221.05959	4.5
221.09612	5.0
223.07515	3.9
225.09079	2.9
227.10648	15.1
237.09184	1.3
238.06017	0.9
239.10606	1.3
240.07881	1.6
249.09087	3.8
253.08574	7.0
253.12225	7.0
254.09331	0.9
255.10184	16.1
267.10223	2.7
269.08014	1.4
270.08899	1.3
272.10477	1.0
281.11734	3.2
284.06555	0.8
284.10239	1.5
284.13257	0.9
285.11194	11.0
287.12766	27.0
288.13004	0.9
298.12106	1.0
299.12903	1.3
301.14395	1.0
303.04880	1.0
313.14297	26.8
331.15381	100.0
332.15579	2.5
339.13300	1.2
343.15515	3.1
377.01724	3.7
393.63712	0.9
395.02707	1.6
508.20642	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17392	0.5
53.38374	0.5
54.17863	0.5
61.02898	0.6
67.05480	0.6
67.66441	0.5
69.03410	0.8
69.55238	4.2
70.06600	3.6
70.95861	0.6
71.06894	0.6
74.00506	0.5
76.07627	0.6
81.03405	0.7
85.02893	4.8
91.05455	1.2
97.02891	1.0
103.05491	1.1
113.08859	0.6
115.05434	1.0
116.06235	0.6
121.06438	0.7
127.03896	0.6
128.06242	0.7
129.07005	7.9
131.04950	1.1
131.08578	6.2
137.06000	2.6
141.06981	5.6
141.07988	0.8
144.05713	0.8
145.04973	0.7
145.06493	0.7
146.07178	0.9
147.04362	0.6
149.05956	1.2
153.01811	1.7
154.02150	1.0
157.06474	6.6
158.07233	3.3
159.08009	6.3
160.05180	1.3
162.48882	0.6
163.03896	0.7
163.07474	0.6
169.06471	2.1
170.07271	0.9
174.06767	13.8
175.07582	2.5
177.05443	1.9
178.05695	0.7
179.05977	0.8
186.06683	3.4
186.56123	0.5
188.08197	0.9
189.09088	25.2
191.10620	1.7
201.09097	8.3
207.10117	1.3
219.10147	100.0
220.10507	1.0
228.40164	0.5
308.53268	0.7
381.15353	2.6
442.75574	0.6
442.81989	0.5
539.06317	0.6
540.17883	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	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.9
64.34161	0.8
67.05487	1.0
69.03400	0.8
69.45235	1.6
69.45638	5.4
71.04985	2.3
75.28003	0.7
78.31425	0.7
81.03397	1.1
85.02894	4.0
85.86866	0.8
91.05499	4.1
93.07020	1.9
95.04960	1.3
97.02857	1.5
102.55110	0.8
103.05447	6.1
105.07050	1.2
107.04981	1.0
107.08593	1.1
117.06994	1.8
119.04929	1.7
121.06505	1.2
122.03636	1.9
129.07005	1.0
131.04912	14.2
135.08022	1.1
137.05968	23.4
149.05939	1.4
149.09564	1.0
151.07536	13.7
153.01828	7.9
153.03000	1.1
154.02118	1.9
157.06551	1.3
161.05966	2.4
162.06775	1.6
163.07530	37.3
167.08626	2.2
171.02773	0.7
174.06773	1.0
175.07539	3.4
177.09093	100.0
178.09450	1.3
184.49594	0.7
189.09125	3.8
195.08105	2.0
195.10100	1.8
203.10643	0.8
207.13760	1.0
208.14047	1.1
221.09619	1.6
221.11700	15.0
223.07628	1.2
226.15219	1.1
227.10693	2.9
242.07158	1.0
249.08916	0.9
253.12236	1.8
255.10170	2.3
285.11075	2.5
287.12808	6.3
299.12717	1.1
311.12900	1.5
313.14294	5.1
320.80374	0.9
327.13339	0.8
331.15375	17.1
339.13452	2.0
343.15549	1.9
367.12704	1.7
377.01767	1.8
384.81137	0.8
384.86588	1.0
395.02905	1.4
442.04947	0.9
508.20694	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	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
56.07648	0.9
69.03423	1.7
70.92093	1.7
79.05494	0.9
85.02907	6.8
91.05477	12.2
91.56820	0.7
95.04974	3.6
95.51952	0.7
95.87647	0.8
97.02895	2.1
105.07030	2.0
107.04958	1.8
109.06522	2.8
115.05448	1.3
119.04942	9.3
121.06503	2.1
122.03652	1.9
127.03898	0.9
128.06238	1.8
129.07013	6.5
131.04926	2.8
133.06528	1.3
135.08084	3.2
136.05133	1.1
137.05972	47.7
145.05002	1.3
145.06499	1.6
149.05959	6.0
151.03902	1.5
151.07538	67.7
157.06491	7.5
159.08015	1.1
161.05975	8.0
161.09535	2.1
163.07516	13.5
165.07019	3.4
165.09175	2.7
167.07330	1.3
167.08559	6.4
169.75581	1.0
174.06786	6.4
175.07539	4.4
177.05577	0.8
177.09129	3.5
178.07780	1.9
181.06491	1.3
182.07329	0.9
189.07397	1.2
189.09096	24.8
193.06532	3.1
193.10152	4.0
195.08057	15.5
196.04774	0.9
197.06015	1.3
197.09636	1.0
201.09081	1.3
205.06522	1.0
207.08183	1.6
207.10178	3.6
209.09641	3.0
210.06670	2.0
212.08353	2.7
219.10175	12.5
221.06018	6.0
221.09583	7.1
222.06763	1.3
223.07503	9.3
224.08301	1.9
225.05533	1.6
225.09090	6.0
227.07199	1.2
227.10661	19.5
234.06738	1.1
237.09160	1.3
238.06252	1.7
238.09964	1.2
239.06990	1.0
239.10643	1.2
240.07956	1.8
249.09071	3.6
253.08586	6.9
253.12308	8.5
255.06436	1.6
255.07275	1.7
255.10135	18.0
265.08377	1.0
267.10184	3.8
269.08163	2.0
269.11624	1.5
270.08878	1.0
272.10382	2.8
281.11673	4.2
284.10483	0.9
285.11200	11.8
287.12772	36.1
299.12784	1.6
313.14328	36.0
314.14511	1.0
331.15384	100.0
332.15836	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	539.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
55.01872	9.0
55.05512	36.7
57.03417	12.8
57.07078	45.3
65.03953	6.9
67.05498	54.1
69.03403	4.9
69.07061	27.6
69.25742	27.2
69.26173	22.5
71.05009	10.3
71.08623	39.2
79.05491	55.2
81.07053	72.2
83.04969	8.6
83.08602	25.4
84.00375	3.5
85.10176	19.1
87.55565	4.0
88.91448	3.6
91.05482	39.4
93.07034	58.3
95.04948	10.9
95.08606	72.3
97.06528	10.6
97.10159	13.6
98.20712	8.8
99.04433	5.5
105.07019	31.8
107.04948	11.1
107.08601	34.5
109.10157	19.0
111.08118	4.5
117.07000	20.7
119.08566	28.7
121.06493	7.4
121.10128	18.1
123.11693	8.7
129.07021	16.1
131.08554	16.9
133.10135	12.4
135.11688	43.1
139.07568	4.7
141.07014	4.5
143.08525	18.5
145.10106	40.0
147.11661	8.9
150.48848	4.9
155.08580	23.0
157.10133	17.7
161.13206	5.3
163.11208	46.8
167.08513	8.5
168.09274	5.0
169.10126	15.9
171.11740	15.3
181.10101	13.5
181.12270	13.5
182.13409	4.8
183.11661	15.4
185.13304	5.4
193.10138	7.3
195.11690	10.8
197.13275	11.4
209.11588	7.8
209.13329	10.2
222.79347	5.2
227.12770	92.6
239.23798	7.9
283.15439	45.1
313.27371	75.7
429.31088	6.1
447.32291	14.9
521.38287	56.3
539.37671	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	539.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.9
55.01858	2.2
55.05502	14.8
57.03411	2.9
57.06785	1.9
57.07073	43.7
67.05499	50.4
69.07063	10.6
69.26910	9.4
69.27340	7.5
71.04987	49.1
71.08624	30.0
74.40121	1.7
79.05485	16.4
81.07050	83.0
83.04964	8.3
83.08618	17.6
85.06548	6.1
85.10175	15.7
89.06020	1.8
91.05468	36.6
93.07037	23.8
95.04964	4.0
95.08599	34.7
97.06520	4.8
97.10171	6.6
98.20766	3.8
99.08093	2.5
105.07027	18.3
107.08590	14.2
109.10149	18.8
117.07040	4.1
119.46545	1.4
121.10170	5.2
123.11711	18.9
125.13252	1.9
129.61099	1.6
131.08566	5.1
133.10121	21.8
135.11671	5.6
137.13243	3.8
144.34721	1.5
149.13170	8.5
151.11139	12.8
159.11705	6.5
177.12770	4.0
183.13802	20.1
187.13359	2.1
195.13821	5.7
224.89424	1.5
227.16557	2.5
239.23764	8.9
269.17523	2.3
283.18970	3.3
285.16995	4.7
313.27396	3.7
332.64215	1.9
339.28864	2.4
341.26978	5.6
495.40454	35.6
539.43091	100.0
540.43378	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17090	0.7
53.03930	1.2
55.01866	2.0
55.05255	1.3
55.05505	17.2
57.03428	3.0
57.07070	2.0
65.03936	1.8
67.05498	30.8
69.07057	12.4
70.30585	1.7
70.30984	1.9
71.04981	1.7
79.05486	27.5
81.03422	1.1
81.07048	27.1
81.99325	0.7
83.04977	3.0
83.08618	7.5
85.06541	1.8
91.05470	28.9
93.07030	24.6
95.04950	6.1
95.08595	17.7
95.09159	1.5
97.06509	2.8
97.10139	3.9
98.20860	0.9
103.05448	1.9
105.04517	1.3
105.07018	26.8
107.04987	1.8
107.08585	11.7
109.06511	1.6
109.10143	5.6
111.08123	1.0
115.05449	2.0
117.06992	13.4
119.08566	17.7
121.06473	1.3
121.10133	6.5
123.08074	2.7
123.11688	1.2
125.09618	0.8
128.06216	4.4
129.06985	15.2
130.07773	0.8
131.08549	16.0
133.06516	1.1
133.10107	10.4
135.07968	0.9
135.11658	3.5
137.09602	1.6
141.06982	8.5
142.07773	2.7
143.08540	18.0
145.10104	15.4
147.08073	0.9
147.11664	9.1
149.13251	1.9
153.07027	2.7
154.07736	2.6
155.08537	18.8
155.09836	1.0
156.09337	2.0
157.10103	14.7
159.11653	10.0
161.09633	0.8
161.13289	2.9
165.07022	1.8
166.07790	1.6
167.08554	11.4
168.09364	2.7
169.10109	19.4
169.11551	1.1
170.10710	0.8
171.11673	16.0
173.13272	4.9
175.14816	0.9
179.08531	4.2
180.09380	2.2
181.10107	16.3
182.10881	2.0
183.11679	15.3
185.09669	1.2
185.13245	10.0
187.14838	2.0
189.12772	1.5
193.10086	5.0
194.10960	1.5
195.11670	12.5
197.13235	11.7
199.11163	1.0
199.14793	4.4
205.10135	1.6
207.11739	5.8
207.13817	2.0
209.13228	9.2
211.14816	6.0
213.16389	2.9
219.11694	2.0
220.12418	1.0
221.13220	3.6
223.14821	5.6
225.16431	2.8
231.21025	1.0
233.13257	1.5
235.14818	3.3
237.16383	2.7
239.14340	1.0
239.18050	1.9
241.19597	1.8
244.00177	0.7
247.14909	1.6
249.16409	3.0
251.18076	1.8
253.19514	1.2
253.70450	0.7
255.17323	0.9
257.18964	1.4
259.20633	2.4
263.18060	1.2
269.18985	0.8
277.19516	1.0
279.17715	0.9
279.20905	0.8
281.17609	0.9
283.20636	1.0
289.19394	1.0
293.19055	0.9
295.20508	1.5
297.18661	0.9
299.20038	0.9
307.20569	1.7
309.22238	2.8
311.20154	1.8
313.21716	1.8
315.23184	2.2
319.20532	0.9
321.22150	2.2
323.23764	2.0
325.21606	1.6
335.23578	3.4
337.25281	1.0
339.23151	1.1
349.25156	1.8
351.23026	1.1
353.24713	1.6
353.63022	0.8
361.25162	1.0
363.26794	1.0
365.24585	1.0
367.26443	0.9
419.33447	0.9
429.31458	5.4
430.32205	0.9
447.32568	21.8
448.32660	1.0
465.33615	9.3
483.34811	3.4
485.34183	1.8
491.34442	0.8
503.34952	1.9
521.36279	10.9
539.37329	100.0
540.37653	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01870	2.0
57.03426	2.1
65.03918	1.5
67.05499	2.1
69.03416	2.2
70.17573	5.1
71.04993	13.1
79.05475	7.1
81.03415	2.5
81.07047	2.4
85.02895	16.2
91.05459	7.9
93.07043	3.0
94.04193	2.3
95.04966	3.6
95.08572	1.7
97.06569	2.1
103.05457	17.0
105.07038	6.9
107.04949	36.8
107.08606	1.4
109.06578	1.5
111.04404	1.4
115.05453	6.7
116.06207	3.7
116.44560	1.1
117.07041	3.5
119.04933	4.0
119.08624	1.6
120.05724	1.2
121.06488	4.9
121.10159	1.5
122.03675	6.5
123.04423	4.1
129.05505	2.2
131.04897	9.5
131.08548	1.5
133.06473	4.0
135.04449	1.5
135.08026	8.6
137.05971	100.0
139.03902	9.4
143.04922	2.5
144.05719	4.6
145.06493	3.1
147.04424	2.9
149.05962	3.0
151.03964	2.6
151.07486	6.5
153.01836	4.8
155.04918	2.9
160.05222	2.6
161.05963	14.1
163.03786	1.7
163.07539	43.3
165.05511	1.5
171.04402	1.7
172.05325	1.6
173.05957	2.6
175.07559	9.4
176.04723	2.9
176.08369	2.1
177.05475	4.2
181.08575	14.6
187.07549	3.7
189.05428	5.8
189.09129	2.5
190.06187	3.9
191.07040	4.8
193.12207	1.3
195.10072	1.4
203.07021	16.5
204.07802	26.5
205.06535	2.1
205.08385	1.6
207.10091	1.8
217.08549	8.7
219.10135	3.7
225.09013	1.4
231.08304	1.4
234.06665	1.8
235.07474	1.5
237.09184	1.6
246.06635	2.2
248.08269	1.4
261.09088	6.4
263.07126	2.5
265.08633	5.6
267.10080	2.2
273.11194	1.4
277.08600	5.8
278.09494	1.5
279.10205	2.4
281.08087	1.9
287.05536	5.7
289.08572	8.0
290.09464	2.0
291.10071	4.5
294.08813	1.8
295.09595	2.5
296.10394	2.0
297.11243	5.2
299.12668	3.6
307.09653	5.7
308.10385	2.1
309.11121	4.5
311.12811	4.4
317.06436	1.4
321.11230	12.1
322.12015	3.4
323.12756	2.9
333.11652	1.4
335.12823	3.7
339.12189	6.4
340.13080	15.7
341.13708	16.8
353.13834	5.5
357.13333	5.6
359.14920	1.3
361.02283	8.2
367.15271	10.1
375.03915	2.1
379.03256	2.4
391.03329	8.9
400.34824	1.5
401.16287	1.6
409.04352	3.0
431.09479	2.3
500.43738	1.3
503.20663	1.7
509.21680	4.8
521.21790	6.0
539.28149	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	539.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01870	2.0
57.03426	2.1
65.03918	1.5
67.05499	2.1
69.03416	2.2
70.17573	5.1
71.04993	13.1
79.05475	7.1
81.03415	2.5
81.07047	2.4
85.02895	16.2
91.05459	7.9
93.07043	3.0
94.04193	2.3
95.04966	3.6
95.08572	1.7
97.06569	2.1
103.05457	17.0
105.07038	6.9
107.04949	36.8
107.08606	1.4
109.06578	1.5
111.04404	1.4
115.05453	6.7
116.06207	3.7
116.44560	1.1
117.07041	3.5
119.04933	4.0
119.08624	1.6
120.05724	1.2
121.06488	4.9
121.10159	1.5
122.03675	6.5
123.04423	4.1
129.05505	2.2
131.04897	9.5
131.08548	1.5
133.06473	4.0
135.04449	1.5
135.08026	8.6
137.05971	100.0
139.03902	9.4
143.04922	2.5
144.05719	4.6
145.06493	3.1
147.04424	2.9
149.05962	3.0
151.03964	2.6
151.07486	6.5
153.01836	4.8
155.04918	2.9
160.05222	2.6
161.05963	14.1
163.03786	1.7
163.07539	43.3
165.05511	1.5
171.04402	1.7
172.05325	1.6
173.05957	2.6
175.07559	9.4
176.04723	2.9
176.08369	2.1
177.05475	4.2
181.08575	14.6
187.07549	3.7
189.05428	5.8
189.09129	2.5
190.06187	3.9
191.07040	4.8
193.12207	1.3
195.10072	1.4
203.07021	16.5
204.07802	26.5
205.06535	2.1
205.08385	1.6
207.10091	1.8
217.08549	8.7
219.10135	3.7
225.09013	1.4
231.08304	1.4
234.06665	1.8
235.07474	1.5
237.09184	1.6
246.06635	2.2
248.08269	1.4
261.09088	6.4
263.07126	2.5
265.08633	5.6
267.10080	2.2
273.11194	1.4
277.08600	5.8
278.09494	1.5
279.10205	2.4
281.08087	1.9
287.05536	5.7
289.08572	8.0
290.09464	2.0
291.10071	4.5
294.08813	1.8
295.09595	2.5
296.10394	2.0
297.11243	5.2
299.12668	3.6
307.09653	5.7
308.10385	2.1
309.11121	4.5
311.12811	4.4
317.06436	1.4
321.11230	12.1
322.12015	3.4
323.12756	2.9
333.11652	1.4
335.12823	3.7
339.12189	6.4
340.13080	15.7
341.13708	16.8
353.13834	5.5
357.13333	5.6
359.14920	1.3
361.02283	8.2
367.15271	10.1
375.03915	2.1
379.03256	2.4
391.03329	8.9
400.34824	1.5
401.16287	1.6
409.04352	3.0
431.09479	2.3
500.43738	1.3
503.20663	1.7
509.21680	4.8
521.21790	6.0
539.28149	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	539.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85970	2.7
69.73204	6.3
69.73607	16.2
79.05489	5.9
81.03399	3.3
81.07059	3.6
91.05483	14.5
93.07022	5.2
94.04163	3.4
95.04973	4.2
103.05446	4.9
105.07022	5.6
107.04941	8.8
107.08566	4.1
109.06561	6.0
109.10098	2.9
114.22384	2.5
115.05444	3.4
117.07053	6.7
119.04948	10.8
121.06536	6.2
122.03653	3.8
123.04443	8.0
123.08043	5.5
129.07030	8.0
131.04907	8.1
133.06462	3.0
135.04434	3.1
135.08060	3.7
137.05974	100.0
139.03880	6.3
143.04956	3.3
145.06522	6.5
146.03584	3.6
147.04413	12.3
149.05951	6.1
151.03955	3.4
151.07544	45.1
153.01843	19.0
157.06496	3.6
161.05965	39.8
161.09644	4.3
163.07552	13.0
165.06989	3.5
165.09151	4.9
167.07127	3.6
172.80676	2.4
174.06723	2.9
175.07527	29.0
176.33072	2.9
177.09113	5.3
179.08521	2.9
181.06517	3.2
187.07521	4.8
189.09149	22.7
191.08565	3.4
193.06480	4.4
194.07346	5.9
195.08226	4.3
195.10168	18.1
205.06544	3.7
207.08160	3.7
207.10205	7.9
211.07553	3.9
219.08131	4.7
219.10175	6.4
221.06017	5.4
222.06749	4.6
225.09114	6.0
234.06769	4.7
235.07469	4.5
237.09111	9.0
247.07591	3.3
249.09157	4.4
251.06999	2.7
251.10825	4.0
253.08629	6.9
255.06746	3.2
256.07391	2.8
265.08636	18.4
267.10150	5.4
269.08063	3.2
270.08990	3.7
277.08572	8.1
277.11819	2.6
279.10077	5.6
283.09732	5.1
285.11191	10.3
289.12387	3.0
291.10248	3.4
295.09656	4.0
297.11182	23.8
299.12836	4.4
309.11124	6.1
311.12762	21.1
313.10413	3.1
315.12335	7.0
317.14053	2.9
323.12906	10.7
337.14297	18.6
341.13815	6.4
343.15405	4.7
349.14215	4.2
355.15366	30.1
367.15414	14.0
414.06812	3.0
461.19257	5.2
479.20657	6.1
491.20343	3.6
503.20358	3.4
509.21298	6.7
539.28693	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	539.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56656	1.9
55.01877	3.5
55.05519	2.6
55.90582	2.0
57.03436	2.5
65.03930	3.4
67.05492	5.9
67.77642	1.8
69.03451	2.4
70.01933	3.4
70.02343	8.2
71.04978	2.4
73.02882	2.1
76.21902	2.0
79.05495	9.9
81.03432	2.5
81.07050	5.9
85.02901	4.3
90.73566	2.0
91.05486	18.3
93.07020	5.8
94.04185	4.1
94.52084	2.1
95.04968	5.2
95.08604	2.7
97.02885	2.2
97.06543	11.7
100.11290	2.6
103.05474	11.1
105.07037	6.3
107.04955	20.7
107.08592	2.7
109.06509	3.5
113.41882	1.8
115.05463	7.8
117.07025	5.5
119.04954	5.1
119.08540	4.9
121.06502	6.0
122.03663	7.4
123.04454	17.7
128.06239	2.8
129.06998	4.9
131.04929	8.9
131.08566	4.4
133.06477	4.3
135.08034	8.3
137.05975	100.0
139.03897	12.0
143.04893	2.8
145.06456	6.3
147.04376	7.5
148.05305	2.3
149.05983	5.9
151.03931	3.5
151.07552	33.5
153.01834	18.9
157.06482	3.9
161.05975	32.9
162.06573	1.9
163.03928	5.2
163.07542	25.7
165.06955	3.2
165.09085	3.3
167.07091	3.1
173.05905	2.2
174.06725	4.4
175.07527	28.0
177.05528	4.8
177.09088	7.4
179.08560	2.5
181.08586	5.7
189.05472	5.3
189.09114	13.3
194.07213	4.0
195.08258	3.2
195.10176	14.6
197.05981	2.8
203.07014	5.0
204.07787	10.9
207.08090	2.8
207.10139	6.3
209.09488	2.7
213.05489	3.3
217.08618	3.3
219.08163	3.7
219.10173	2.7
221.06104	5.0
222.06764	3.4
225.09048	4.9
234.06766	3.7
235.07591	4.2
237.09079	6.0
239.07152	2.5
241.08629	3.2
244.28125	2.4
247.07547	3.8
249.09215	4.3
251.07074	2.7
253.08572	4.6
255.06538	2.8
261.09027	2.6
265.08624	15.1
267.10400	2.9
267.68820	2.2
270.08707	3.0
271.80551	2.2
277.08582	8.0
277.11719	2.0
279.10059	2.2
281.08023	4.5
282.09131	2.7
283.06116	3.4
283.09644	6.1
285.11139	10.1
287.12451	2.7
295.09607	4.6
296.10754	2.8
297.11182	20.2
299.12845	3.2
309.11243	3.6
311.12823	15.8
315.12192	4.0
317.14093	2.7
323.12711	7.9
324.46072	2.3
326.59412	2.2
337.14374	20.3
340.12927	4.8
341.13806	11.9
343.15363	3.2
349.14398	4.1
355.15414	23.6
367.15387	9.4
383.14957	4.3
388.47095	2.6
401.16202	3.4
448.97089	2.1
461.19559	2.5
479.20193	6.1
509.21826	4.4
521.21167	4.2
539.28467	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	538.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01869	2.8
55.05508	9.6
56.05027	1.0
57.03434	6.1
57.07069	1.3
65.03946	0.7
67.05502	19.6
69.03413	1.4
69.07069	7.3
69.66967	0.6
70.06585	3.4
71.04992	2.0
71.08624	3.0
71.42064	1.6
72.08153	100.0
79.05487	13.2
79.56339	0.6
81.03421	1.7
81.07056	21.6
83.04973	4.1
83.08603	5.8
85.02889	1.3
85.06542	1.5
90.09204	1.5
91.05472	9.6
93.07042	17.7
95.04975	5.3
95.08603	9.4
97.06541	3.1
97.10181	1.8
99.08091	3.6
100.06047	0.7
103.05452	0.6
105.07018	5.9
107.04955	1.4
107.08591	9.3
109.06541	2.2
109.10154	4.0
111.08077	1.8
115.05351	0.6
117.07036	2.4
119.08575	3.9
121.06538	0.9
121.10144	4.8
123.08073	0.9
123.11726	1.8
125.09638	1.0
129.07159	0.9
131.04947	0.7
131.08582	2.8
133.10114	4.6
135.11728	3.8
137.05972	1.0
137.09587	0.8
139.11197	1.6
143.08519	0.9
145.10149	1.6
147.11723	2.8
149.13293	4.6
151.11194	3.0
153.02071	0.7
157.10162	0.9
159.11736	3.4
161.13312	1.9
163.11224	2.3
165.12762	1.1
170.05769	30.0
171.11742	1.4
175.11223	0.7
177.12802	1.6
179.14331	1.4
189.11334	0.7
195.13802	3.4
207.13916	0.8
209.13219	0.9
232.53223	0.7
241.19643	1.0
249.22250	1.0
251.16487	2.2
259.20654	1.4
267.16132	0.7
269.10876	0.9
269.17484	14.7
269.20166	1.2
277.21704	3.7
323.57556	0.7
333.24332	2.3
344.27960	0.7
350.57986	0.8
351.25314	15.1
367.18079	1.6
369.26352	24.9
383.24533	1.0
471.16577	0.8
514.48236	0.8
538.27161	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.1
55.01865	7.6
55.05508	28.5
57.03428	18.6
57.07079	47.1
65.03954	4.7
67.05504	72.2
69.07063	22.2
71.08627	33.4
71.50870	5.0
71.51208	4.8
79.05495	77.2
81.03423	9.9
81.07050	50.9
83.04974	18.5
83.08603	19.5
85.10185	16.9
91.05485	62.2
93.07037	70.3
95.04954	24.1
95.08596	40.9
105.07022	33.8
107.08575	20.1
109.06504	6.5
109.10143	14.3
117.06991	8.1
119.08562	25.3
123.08061	8.0
123.51030	5.0
129.06972	17.0
133.10135	8.7
143.08533	7.4
145.10121	15.8
147.11684	35.0
161.09563	9.2
161.13194	10.6
171.11728	25.1
189.12775	8.6
207.13768	34.0
239.23651	6.0
243.19109	4.4
245.02887	5.4
269.46185	4.3
281.17502	63.1
313.27359	73.9
519.40411	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	538.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82916	0.2
55.01854	0.5
55.05511	1.6
56.03742	0.2
56.05028	0.9
57.03431	1.0
57.05804	0.7
57.07075	0.3
58.06610	0.3
60.08317	0.2
65.03940	0.3
67.05503	3.7
69.03394	0.2
69.07060	1.5
70.06589	3.5
70.72578	0.5
71.05006	0.3
71.08626	1.0
72.08154	100.0
73.08485	0.5
79.05492	2.6
81.03423	0.4
81.07059	4.4
83.04987	1.0
83.08611	1.7
85.06541	0.4
90.09192	3.7
91.05477	2.1
93.07047	2.9
95.04984	0.9
95.08605	2.2
97.06525	0.5
97.10175	0.3
99.08089	0.8
103.04967	0.2
105.07037	1.4
107.08570	1.5
109.06533	0.2
109.10161	1.2
111.08089	0.3
117.07030	0.9
119.08558	1.2
119.13310	0.2
121.10169	1.0
123.08039	0.3
123.11694	0.3
129.07053	0.3
131.08612	0.7
133.10162	1.0
135.11685	0.7
141.14107	0.3
143.08560	0.3
145.10109	0.5
147.11691	0.4
149.13268	1.2
151.11211	0.4
159.11716	0.8
161.13235	0.3
162.15723	0.2
163.11206	0.4
170.05774	5.6
171.11714	0.3
177.09332	0.3
177.12784	0.4
195.13812	0.7
220.10716	0.2
241.19550	0.3
244.09566	0.6
251.16388	0.5
259.20712	0.3
269.17474	5.4
277.21701	1.1
333.24286	0.9
351.25305	3.2
353.10333	0.2
369.26324	5.1
420.21725	0.5
438.22656	0.8
502.29599	0.3
520.30768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
61.02943	0.7
69.03413	3.8
70.07265	3.0
74.45934	0.8
79.01843	3.0
79.05524	1.0
81.03409	6.5
82.96416	0.7
83.04971	1.7
85.02885	3.3
91.05470	0.8
92.93169	0.7
93.07019	1.5
97.02889	4.3
105.07030	1.1
107.01282	1.3
107.08566	0.9
109.02238	1.0
109.02873	6.1
119.08566	1.8
121.06484	1.0
123.08055	1.4
125.02341	3.9
127.03921	8.0
131.90181	0.7
135.08041	1.1
135.11702	1.2
137.09622	1.3
143.03413	6.1
145.04875	1.0
147.08022	1.3
153.01822	100.0
159.11618	1.2
163.11186	3.5
165.09099	9.1
171.02873	14.0
177.12724	2.8
193.89000	0.8
194.42648	0.9
205.12213	6.0
223.13289	7.6
245.76390	0.8
278.97845	0.9
297.06049	9.3
315.07169	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	537.303
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
54.72847	0.2
55.05493	0.6
67.05490	1.0
69.07062	0.4
69.94596	1.1
79.05487	0.6
81.07053	0.6
83.08595	0.3
84.13061	0.2
91.05452	0.6
93.07031	0.7
95.08591	0.5
98.20776	0.3
105.07000	0.4
107.08554	0.4
109.10125	0.6
119.08544	0.2
121.10191	0.2
125.09633	0.2
133.10121	0.2
161.02893	0.3
162.83345	0.2
176.97330	0.2
185.04291	0.6
193.10118	0.2
273.18442	0.3
301.20102	1.2
319.21390	0.4
537.30286	100.0
538.30573	3.4
550.62762	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.2
55.01844	2.9
55.05509	31.8
57.03442	14.1
57.07072	38.0
65.03926	2.8
67.05169	4.5
67.05503	69.3
69.07068	22.0
69.40343	18.5
71.04974	7.0
71.08626	29.2
77.71590	2.3
79.05483	77.5
81.03416	6.5
81.07053	60.7
82.80107	2.5
83.04984	12.8
83.08620	15.8
85.10184	13.7
91.04897	2.7
91.05470	52.0
91.06007	4.5
93.07035	66.3
95.04976	18.7
95.08597	40.1
97.06548	3.1
97.10150	12.2
97.84131	2.6
98.20781	5.6
105.04488	3.3
105.07024	39.8
107.04937	4.3
107.08590	11.7
109.06471	4.7
109.10143	13.1
117.07030	7.4
119.08585	23.4
121.10157	5.4
123.08056	6.1
123.11681	5.6
125.49538	2.9
129.06998	12.0
129.61395	2.6
133.10104	13.2
141.09097	3.1
143.08585	6.4
145.10115	7.6
146.32390	2.7
147.11685	37.2
148.77161	2.5
161.09627	4.0
161.13231	11.7
171.11685	29.1
189.12720	13.7
206.26086	2.8
207.13774	36.2
237.22092	2.8
239.23659	4.4
249.23105	2.5
281.17456	100.0
282.27948	2.8
297.01263	2.8
313.23816	2.2
313.27319	56.5
519.33099	5.5
519.40485	88.8
520.39606	3.2
537.41394	6.0
545.63824	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	537.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20445	2.2
53.03944	7.5
53.54411	2.5
55.05515	24.3
57.03446	13.2
57.07074	45.8
57.53529	2.7
67.05500	66.9
69.07060	16.6
69.40368	22.6
71.08633	32.9
77.03124	2.6
79.05489	76.3
81.03405	5.6
81.07049	57.7
83.04966	14.3
83.08622	17.1
85.06534	3.6
85.10163	13.0
87.25787	3.0
91.05479	55.4
93.07037	67.2
95.04970	24.6
95.08603	43.5
97.06557	3.4
97.10135	6.9
105.07036	41.4
107.04926	6.2
107.08582	13.2
109.06544	7.1
109.10154	11.0
111.08084	4.3
111.11725	3.0
117.07014	8.8
117.19888	3.1
119.08587	24.4
123.08039	5.3
123.11683	4.7
128.06195	2.5
129.07018	18.9
130.07782	2.3
133.10126	12.0
135.11673	2.9
143.08543	7.4
145.10147	9.8
147.11674	37.3
156.41573	2.6
161.09576	6.9
161.13272	13.5
171.11711	31.3
178.50830	2.8
184.58382	2.6
189.12776	14.8
207.13780	35.3
239.23682	7.0
281.17496	76.4
313.27347	77.5
519.40454	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	536.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.2
56.05014	0.3
56.96559	0.1
57.01447	0.1
58.06594	8.0
59.06931	0.1
63.70539	0.1
65.03932	0.7
69.03411	0.4
71.59364	0.1
71.59732	0.2
76.07225	0.2
76.07629	1.8
79.01825	0.4
81.03415	0.5
85.02881	0.3
86.97556	0.1
91.05472	8.2
97.02863	0.5
109.02863	0.4
119.04930	22.0
120.05258	0.2
122.02705	0.1
122.37803	0.1
123.04448	0.1
125.02338	0.3
127.03889	0.6
131.04865	0.1
135.04401	0.1
139.03928	0.1
143.03378	0.6
147.04395	100.0
148.04724	0.8
153.01810	15.4
165.05457	0.1
171.02853	1.0
187.07539	0.1
191.07014	1.7
211.96190	0.1
213.03799	0.2
213.05740	0.2
222.11250	2.6
231.06514	0.9
251.92747	0.1
255.06558	0.3
257.04495	0.1
273.07532	0.2
297.06073	0.9
315.07288	0.8
443.09674	0.8
461.10788	2.0
500.15387	0.2
512.39703	0.1
512.95673	0.1
536.17584	4.4
564.46094	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	537.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.65979	0.5
59.18724	0.5
61.53004	0.5
66.56593	0.5
69.03439	3.3
70.01263	0.9
70.01664	1.2
70.06574	1.1
70.48876	0.5
72.16212	0.5
79.01847	3.3
81.03410	6.4
83.04964	1.0
85.02905	2.8
91.05481	0.7
93.07061	1.0
95.08611	0.6
97.02892	6.2
99.04455	0.9
105.07040	0.6
107.01300	1.7
109.02882	5.0
119.08567	1.2
121.06509	2.4
123.08080	0.9
125.02335	3.7
127.03899	7.8
143.03394	5.5
145.04979	1.6
145.10106	0.6
147.08005	0.7
151.03857	0.7
153.01825	100.0
154.02107	0.6
163.11101	0.7
165.09123	3.6
171.02888	13.7
175.11182	0.7
177.05499	0.7
177.12778	1.0
187.11151	0.5
193.12282	1.2
205.12279	3.3
223.13304	3.5
279.05017	0.7
297.06064	8.7
315.07074	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	535.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
67.05502	1.4
69.07077	0.3
71.60749	0.4
72.08145	0.4
79.05499	0.7
81.03423	0.4
81.07058	1.0
86.86005	0.2
88.44487	0.3
91.05447	0.6
93.07041	0.3
95.04973	0.4
95.08598	0.3
97.02918	0.3
103.17293	0.3
104.49031	0.3
107.08588	0.4
109.10184	0.4
117.07128	0.3
122.94846	0.3
131.08543	0.2
133.10107	0.3
140.24315	0.3
147.04398	0.3
181.27174	0.3
198.03186	0.3
205.86696	0.3
216.54510	0.3
222.55528	0.2
227.69301	0.3
271.31244	0.3
287.05466	0.8
373.25586	10.8
389.42633	0.3
535.30865	100.0
536.31049	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05497	1.6
55.06215	0.6
57.03413	0.7
67.05503	6.2
69.07047	1.8
71.04982	1.6
77.74831	0.6
79.05492	3.3
79.05905	0.7
81.07048	6.9
83.04944	0.9
83.08601	2.1
85.06516	1.2
91.05461	3.3
93.07045	3.1
95.04934	0.7
95.08597	2.5
95.82321	0.5
97.06514	1.0
97.10170	1.6
101.48759	0.6
105.07027	1.7
107.08605	3.0
109.10140	1.3
117.07039	0.6
119.08573	1.6
121.10146	1.5
123.11694	0.9
125.09564	0.7
131.08549	1.3
133.10156	1.6
135.11710	0.8
145.10083	1.1
148.41890	0.7
149.13260	1.3
151.11171	0.9
159.11676	0.9
165.42213	0.7
189.11160	1.2
195.26591	0.6
227.12758	2.1
235.13049	3.8
241.83383	0.6
267.15671	8.3
287.05328	1.5
291.15649	4.3
291.19516	2.2
318.06839	0.6
323.18359	5.1
463.26782	2.0
535.32373	100.0
536.32715	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	535.2876
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
54.07525	0.4
54.13595	0.4
55.05506	0.8
57.03433	0.8
67.05499	1.8
71.59119	0.6
72.08154	1.0
74.20403	0.3
78.90455	0.4
79.05495	2.2
80.57773	0.4
81.03423	2.0
81.07059	2.3
83.05024	0.4
85.02891	1.8
91.05477	1.9
93.07053	1.5
95.04949	1.0
95.08595	1.2
98.74824	0.4
105.07051	1.2
107.08590	0.9
109.10141	0.6
119.08588	0.7
120.09434	0.4
121.10143	0.8
123.04404	0.6
131.08542	0.9
133.10066	0.5
147.04433	0.7
157.10182	0.4
193.12271	0.7
215.11285	1.0
219.41867	0.4
233.12206	0.5
251.12575	8.2
253.12816	0.8
269.12381	0.6
271.14044	1.5
285.16953	0.8
287.05518	0.7
307.15158	7.8
392.40057	0.5
535.28784	100.0
536.28717	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.3
67.05486	1.1
69.03420	1.1
69.07070	0.8
69.26432	1.2
69.26852	3.2
71.04972	0.6
77.35777	0.4
79.05485	0.4
81.03406	1.9
81.07035	1.0
85.02893	1.4
86.09652	0.4
88.81281	0.5
91.05473	10.2
91.22048	0.4
93.07052	0.9
95.04971	0.5
95.08598	1.1
97.02867	0.7
98.21507	0.9
99.08094	0.5
105.07042	0.9
105.36640	0.4
107.04977	0.6
107.08582	1.5
109.02846	0.7
109.06536	0.4
119.04935	22.3
121.06477	0.6
121.10121	1.1
123.04446	0.5
123.08076	0.7
127.03887	0.9
131.08574	0.7
133.06496	0.5
133.10110	0.6
135.11731	0.4
137.05971	2.9
137.09512	0.5
145.10175	0.4
147.04402	100.0
148.04707	0.8
149.09636	2.8
149.13298	0.7
151.03964	0.6
151.07530	0.5
151.11203	0.7
163.14819	0.9
165.05493	3.3
167.07001	0.7
173.13254	0.5
186.30116	0.4
191.14301	2.0
203.07083	0.5
209.15306	2.6
232.01237	0.4
279.39203	0.4
287.05539	1.2
291.08566	2.2
309.09641	2.7
337.12991	0.5
338.13168	1.0
421.47806	0.4
421.53445	0.4
535.20111	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.3
55.05505	4.4
57.03446	5.1
61.02906	3.5
67.05495	5.4
69.03437	5.2
69.07054	3.2
71.04986	16.9
71.23466	5.1
72.91144	2.6
79.05482	5.3
81.03407	5.1
81.07044	12.0
83.04982	7.3
85.02898	30.8
85.06541	4.6
86.03255	3.6
91.05471	4.6
92.49773	2.6
93.07044	10.2
95.04942	3.3
95.08590	13.8
97.02906	7.9
97.06499	3.5
99.04468	5.1
99.08078	10.1
101.89457	3.0
103.03915	14.8
104.04263	3.2
105.06992	9.8
107.04920	6.3
107.08601	25.1
108.39405	2.8
109.02869	4.6
109.06498	2.7
109.10146	7.4
119.08604	3.7
121.06490	11.8
121.10162	21.4
123.08077	14.4
125.09621	4.6
127.03944	18.6
128.04221	7.5
129.05455	2.9
131.08569	6.7
133.10117	14.6
135.08049	9.9
135.11714	2.9
137.06021	6.4
145.04958	10.7
147.06488	3.2
147.08038	3.3
147.11745	4.7
149.09612	38.0
149.13245	11.7
151.11168	11.4
163.06046	7.2
163.14841	19.9
173.13274	19.5
191.14308	44.8
209.15366	100.0
281.14063	2.9
287.05399	15.6
300.55371	3.0
348.14801	3.0
373.13596	3.8
535.23486	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	535.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01867	0.2
55.05489	0.4
56.96550	0.3
57.03421	0.2
64.07403	0.2
65.03928	0.9
67.05482	0.4
69.03409	0.9
69.52235	1.8
71.04997	0.3
72.94621	0.2
78.80975	0.2
79.05486	0.7
81.03413	2.2
81.07047	0.7
83.04987	0.4
85.02898	1.2
87.04520	0.2
91.05472	9.5
93.07040	1.0
95.04967	0.4
95.08596	0.7
97.02863	0.3
99.08069	0.6
105.07011	0.7
107.04949	0.7
107.08570	1.7
109.02843	0.7
109.06546	0.4
109.10149	0.6
117.06989	0.4
119.04935	22.5
119.08539	0.4
121.06498	0.3
121.10134	0.7
122.48821	0.3
123.04443	0.2
123.08089	0.2
125.09601	0.3
131.08559	0.3
133.10124	0.5
135.49338	0.2
137.05992	1.8
147.04396	100.0
147.63670	0.2
148.04762	0.6
149.09605	3.5
149.13255	0.6
151.11160	0.4
153.01819	0.7
153.09123	0.3
163.03975	0.3
163.14783	0.5
165.05461	4.0
167.07045	0.4
173.13260	0.4
175.07422	0.3
177.05380	0.3
191.14285	2.1
195.06593	0.3
209.15341	2.8
248.08408	0.2
287.05478	0.4
291.08578	3.0
309.09573	3.3
331.08160	0.3
337.10602	0.4
359.61249	0.3
361.02155	0.4
487.17163	0.3
499.17648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	3.3
57.03437	2.4
58.99858	2.1
59.81661	1.0
61.02915	2.8
61.92400	0.9
69.03430	7.6
69.42794	4.4
69.43219	4.4
73.02930	5.5
77.00903	6.8
81.03405	2.7
85.02899	15.1
87.04493	1.4
91.05504	1.7
95.01950	4.4
95.05010	1.3
97.02879	5.6
98.20706	1.9
98.97565	4.3
99.04419	1.6
101.00877	4.1
102.96917	1.2
105.00378	1.5
107.04951	21.4
109.02875	1.8
109.15823	1.1
110.97599	1.1
115.03873	1.1
116.98615	5.6
118.01138	3.1
119.01907	22.1
119.05004	1.3
121.01456	1.0
123.01323	0.9
123.04447	1.1
127.03900	6.0
128.02342	1.0
128.98586	1.6
131.01900	6.3
131.04918	2.5
132.97989	1.4
134.99649	2.2
135.01385	10.0
137.02948	5.6
143.01886	2.9
145.04971	4.0
146.99637	2.1
147.01364	5.1
149.02983	2.9
149.05988	1.7
153.02457	14.3
155.02823	2.3
157.02434	1.6
158.99771	2.0
159.01404	8.2
160.99272	1.0
161.02936	5.9
162.99025	2.1
165.03981	4.5
167.05533	3.4
170.99593	2.1
171.05020	2.9
171.35924	1.0
173.03058	1.1
174.99074	1.2
177.00711	4.0
177.02428	6.9
177.03972	6.3
178.04951	1.2
180.99994	1.8
181.03383	4.8
182.03233	2.6
183.03638	1.5
183.05060	10.0
185.06598	18.0
188.97119	1.2
189.00728	3.3
189.04056	1.4
191.03889	3.9
191.54094	1.9
192.04688	1.6
193.00206	2.1
193.01923	4.9
193.03535	6.0
195.05029	100.0
196.05644	1.0
197.02888	1.6
197.06622	3.1
199.04514	10.3
200.04353	5.8
200.54591	2.8
201.00752	2.1
201.04648	1.6
202.04059	4.2
203.07639	2.3
205.00075	1.4
205.03647	1.2
206.04294	1.7
206.98190	1.3
207.01476	2.2
207.05000	15.2
209.02963	2.2
209.04883	1.3
209.06625	3.8
211.02785	1.5
211.04518	5.7
213.04053	1.6
213.06081	31.4
214.03094	1.4
215.04112	1.0
217.03473	1.8
218.04295	2.6
218.06490	1.6
219.01767	3.0
219.05020	3.7
223.01059	2.6
223.04512	7.6
224.05492	0.9
225.06065	20.0
227.04085	2.2
229.05560	7.0
233.02859	1.4
235.04494	14.6
236.05351	3.3
237.02701	1.3
237.06093	5.6
238.96408	1.0
239.03992	4.4
241.05635	3.2
243.07137	16.4
245.05066	1.5
248.05414	1.3
249.02837	1.2
249.06071	4.3
251.03987	6.3
253.05582	45.1
257.05063	10.0
259.04410	1.2
261.02802	2.7
265.05457	1.1
266.06357	2.5
267.07095	4.6
269.05200	7.3
271.01553	1.9
271.06625	41.0
271.09610	2.0
272.06598	3.5
272.56567	1.5
273.06784	2.4
273.56699	2.1
274.06207	3.3
276.07297	1.6
277.05566	1.3
279.03860	5.2
279.07248	1.1
281.04849	5.0
281.07074	7.2
281.57138	7.4
282.07333	9.1
282.57495	8.3
283.06638	20.4
283.57132	1.7
287.05692	1.1
293.05133	5.1
295.06580	7.8
297.04547	50.5
299.06165	1.9
301.09174	2.4
309.04883	1.1
311.06100	33.8
313.09149	2.0
315.05597	5.3
320.06067	1.5
321.04807	2.0
331.10193	1.9
334.07410	1.8
337.04001	1.4
339.05627	1.7
341.08676	2.8
343.10422	2.5
353.08633	2.5
355.05154	7.9
359.09839	6.3
362.59772	1.4
363.09747	1.2
363.60074	1.7
369.08038	3.0
371.09665	3.7
373.06253	2.8
373.11368	2.6
383.09775	2.7
387.09152	9.7
397.07700	2.7
399.02673	1.8
399.09064	1.3
401.06137	7.8
401.11777	8.0
403.08749	1.8
405.09665	1.2
411.09262	3.0
415.03384	1.1
415.08771	19.1
419.08319	1.6
427.08710	2.0
429.10324	10.7
433.09671	2.2
445.09808	2.8
455.08255	1.6
459.07986	4.9
473.09137	8.6
477.08878	4.4
517.08179	3.1
535.07855	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87212	1.5
53.03924	5.1
57.03422	2.4
60.55570	1.6
69.03428	11.8
70.06579	3.5
70.39796	6.6
71.04977	3.5
73.02903	3.2
81.03416	19.3
85.02898	66.0
89.52745	1.8
91.05469	3.7
95.04938	2.6
97.02889	28.7
98.20822	2.7
99.04449	46.9
103.03937	79.8
109.02870	22.1
119.08518	1.8
127.03912	100.0
129.07008	4.1
139.03952	2.6
145.04955	57.1
147.08060	10.6
149.09724	1.5
163.06020	48.7
163.07370	4.0
165.09148	2.7
169.05063	2.2
187.06015	5.3
191.14171	2.1
205.07080	3.0
253.06865	2.1
271.08054	6.2
289.09195	7.4
307.10251	9.0
307.13315	1.7
379.13388	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	535.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99858	3.2
62.57142	1.3
68.89323	1.2
77.00904	9.6
78.57948	1.5
95.01912	6.9
95.04909	1.6
101.00895	3.1
103.54231	1.4
105.00369	2.1
107.04948	24.6
113.00970	1.2
114.77146	1.6
118.01132	3.0
119.01917	22.4
123.01411	1.7
123.04398	1.7
131.01880	5.2
131.04890	3.1
135.01366	8.4
137.03015	6.6
143.01878	1.8
147.01408	3.9
149.02971	1.6
153.02487	16.9
159.01361	8.0
159.02802	2.1
160.02205	1.5
161.02943	4.1
165.03983	5.5
167.05542	4.8
171.04987	3.3
173.02972	1.6
177.02423	9.9
177.03981	5.1
181.03418	6.1
183.05054	9.2
185.05075	2.3
185.06589	19.3
193.01894	5.2
193.03427	3.1
195.05020	100.0
197.03021	1.4
197.06554	4.0
199.04529	13.2
203.07544	1.6
205.03485	2.1
206.04271	2.3
207.04982	14.2
208.05870	1.7
209.06517	2.7
211.04504	5.1
213.06065	35.6
215.07640	1.9
217.03487	2.9
218.04262	3.2
218.06456	2.3
219.05063	3.4
223.04506	10.4
225.06097	20.9
229.05586	7.7
235.04506	16.4
236.05196	5.0
237.06006	5.8
239.04027	4.8
241.05588	2.9
243.07118	15.8
247.04379	1.6
249.06041	4.1
251.03915	6.8
253.05600	52.9
253.08348	2.7
257.05078	13.9
263.04016	1.7
265.05423	1.6
266.06265	3.6
267.07101	4.0
269.05011	9.8
271.06601	42.3
279.03549	1.8
281.04987	6.8
283.06635	4.7
293.04919	6.4
295.06665	6.2
297.01343	2.8
297.04550	45.4
299.05988	3.9
309.04703	1.8
311.06006	25.5
313.09030	2.5
315.05502	6.3
320.06287	1.5
334.07642	1.9
337.04089	1.7
341.08438	2.9
343.10123	3.3
353.08804	2.2
355.05124	7.6
359.09583	5.3
369.08035	3.7
371.09729	2.6
373.06137	1.7
373.10986	2.1
383.09729	2.2
387.09177	9.7
401.07019	5.5
401.10886	4.9
411.09164	3.5
415.08737	16.3
429.10501	8.4
445.09714	2.4
459.07599	5.4
473.09534	7.2
477.08929	3.2
517.08405	2.6
535.09552	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93521	100.0
55.93789	6.1
56.96556	13.1
69.03419	7.4
69.98611	8.9
69.99027	15.9
72.93775	12.4
81.03394	7.1
85.02909	16.6
90.94830	7.7
91.05475	81.3
95.04967	7.2
97.02867	11.1
98.21467	5.0
98.73132	4.2
103.52573	4.5
104.06270	4.8
108.95864	5.2
119.04965	5.4
123.04422	13.4
123.94490	5.3
131.04878	4.7
147.04391	10.0
152.91354	4.5
153.01836	18.7
155.98647	5.2
163.99190	11.8
164.99977	32.5
165.97083	10.4
176.94789	12.5
179.98741	9.4
182.00182	47.3
183.98186	26.9
191.98509	6.3
192.99492	11.0
194.95807	8.7
194.97455	4.8
195.03279	8.5
196.98938	5.6
197.99733	9.2
201.99246	18.5
203.98599	6.4
206.00194	5.8
207.01022	9.3
210.07617	28.7
212.98451	7.6
221.99646	5.9
223.97565	4.5
225.04166	4.9
231.98145	26.2
232.98978	20.8
233.99707	7.0
236.98535	6.8
237.00749	5.4
237.99236	5.5
239.02357	5.2
245.07996	7.8
245.96129	11.2
246.97160	4.6
247.97838	6.1
249.99156	64.0
250.99916	7.6
263.97217	5.3
268.01114	14.5
280.05496	17.1
289.98770	5.6
308.01099	4.8
312.00195	6.8
321.97772	6.8
323.99182	4.5
324.04553	7.2
332.12143	4.6
337.09338	7.7
364.03946	18.5
367.98303	10.4
386.04401	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	533.3836
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
50.16992	2.7
51.64955	2.7
53.03936	4.0
55.01865	7.1
55.05509	40.7
56.17201	2.8
56.95809	3.4
57.03430	8.2
65.03949	3.3
67.05502	58.8
69.07065	24.3
71.05218	3.5
79.05492	50.2
81.07053	70.4
83.04971	11.2
83.08605	22.7
85.06552	6.0
91.05474	34.2
93.06472	3.7
93.07040	58.8
95.04935	5.3
95.08600	48.2
97.06509	6.2
97.10149	25.8
98.20760	3.0
105.07012	33.3
107.08588	38.0
109.10155	26.0
111.08064	6.0
113.53793	3.2
117.07004	13.3
119.08569	31.5
121.06498	4.1
121.10123	24.0
123.08044	5.2
123.11687	8.9
125.09614	18.8
129.07079	6.0
131.08597	21.6
132.60988	3.2
133.10124	20.6
135.11694	22.1
141.06917	3.8
143.08583	6.2
145.10139	20.6
147.11679	17.1
149.13258	10.5
153.12738	5.2
157.10100	4.5
159.07478	3.3
159.11688	10.8
161.13264	9.8
163.11153	2.8
164.23360	3.1
171.11656	6.2
173.13222	6.5
175.14870	4.4
181.12253	6.3
185.13280	8.8
187.14792	6.9
189.11206	16.5
195.00301	5.2
197.13281	5.2
227.12778	31.9
255.15919	14.1
255.20979	3.5
261.22083	5.7
273.21942	6.9
283.80127	3.2
289.25238	10.6
291.23105	6.7
335.25671	9.3
405.31464	6.5
423.32620	18.6
441.33472	17.2
459.34677	9.7
497.36029	13.5
515.37317	100.0
533.27704	7.0
533.38049	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3837
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.03923	3.3
55.01860	6.5
55.05512	41.9
57.03430	7.7
57.07072	4.1
63.36595	2.6
65.03949	3.0
65.69294	2.5
67.05501	83.6
68.52634	3.4
69.07063	27.0
71.04978	5.6
79.05489	49.5
80.27928	3.1
81.07053	75.8
83.04976	8.2
83.08621	24.9
85.06514	3.5
91.05471	38.2
93.07037	56.6
95.04969	5.7
95.08604	51.9
97.06532	7.6
97.10171	23.8
98.21553	5.2
100.50011	2.8
105.07024	36.5
107.08592	45.0
109.06479	4.0
109.10133	32.0
111.08077	5.0
116.81980	2.8
117.07050	13.6
119.08570	31.7
121.10133	21.9
123.08051	2.9
123.11694	13.1
125.09595	17.5
129.07014	8.3
131.08574	23.7
133.10130	28.6
134.08487	3.1
135.08061	3.7
135.11668	29.4
136.85820	2.6
139.11263	2.7
143.08548	5.1
145.10124	22.3
147.11685	19.0
149.13234	10.6
153.12810	5.7
157.10158	8.1
159.11742	16.7
161.13283	11.9
163.11139	4.3
163.14859	6.2
165.12769	3.0
169.10065	4.7
171.11703	6.6
173.13272	11.1
175.14847	8.1
181.12247	9.2
183.11726	4.5
185.13191	3.8
187.14795	5.6
189.11244	11.3
199.14827	7.0
227.12717	23.5
229.14153	5.7
255.15906	11.4
259.20596	4.7
261.22171	12.2
273.22098	7.7
289.21835	5.3
289.25058	6.7
291.19800	3.1
291.23132	9.7
329.25067	3.1
335.25836	13.4
347.25800	6.6
361.27457	3.3
405.31516	5.0
423.32574	15.8
441.33698	17.0
459.34750	13.0
497.36017	7.4
515.37299	100.0
516.37799	3.0
533.38690	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3837
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
53.03919	7.4
55.05502	37.9
57.03425	8.1
57.07064	19.9
65.03932	9.7
67.05503	100.0
69.07060	33.8
69.47694	56.9
71.04983	9.1
71.08620	12.7
79.05496	62.2
81.03416	30.8
81.07057	96.8
83.04951	6.3
83.08607	41.4
85.06515	8.0
85.10183	8.4
91.05480	46.5
93.07037	61.9
95.04964	17.5
95.08597	63.2
97.10155	22.3
98.21507	11.7
105.07029	42.2
107.08585	45.0
109.06455	7.9
109.10128	35.9
117.06998	13.6
119.08580	35.1
121.10134	29.8
123.11658	14.1
131.08568	23.2
132.79221	6.6
133.10141	30.8
135.11703	33.5
145.10133	30.2
147.11670	19.4
149.13261	11.2
157.10115	12.6
159.11697	13.1
161.13277	6.5
173.13255	11.0
193.12151	15.1
204.42252	6.8
226.01385	6.8
227.12804	11.2
255.15904	15.3
261.22031	18.3
291.23022	7.8
335.25882	10.0
364.36337	6.3
386.63165	7.4
423.32632	11.7
441.33554	16.4
459.34470	11.4
497.35696	10.6
515.37256	93.5
533.40051	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	0.7
67.05499	0.9
69.03419	1.8
69.07062	1.2
71.60535	1.3
79.05476	0.7
81.03429	1.1
81.07044	1.0
82.88905	0.6
85.02904	2.3
91.00832	0.6
91.05470	1.8
93.07019	0.9
95.08575	0.9
97.02924	1.5
105.06983	0.9
107.08624	1.1
118.11879	0.6
119.04948	0.6
127.03898	0.7
139.03923	1.8
147.04393	2.4
151.03978	0.9
153.01836	2.4
167.06969	0.7
177.72964	0.7
191.35631	0.6
215.08353	0.6
303.05026	1.0
317.08224	1.0
335.09521	1.9
371.15253	0.8
401.21463	0.9
445.20435	21.3
532.35437	1.8
533.25696	100.0
533.35205	8.4
534.26068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87767	1.6
53.55869	1.5
54.66996	1.6
56.96563	100.0
62.13441	1.7
69.87600	3.5
69.88010	8.7
70.98112	9.4
71.95245	2.4
74.97596	13.2
75.80640	1.8
82.31995	1.9
84.96039	16.9
85.02898	4.6
86.97597	3.5
88.99152	12.1
92.98663	2.5
97.02902	3.9
97.50856	1.7
98.97581	65.1
102.97076	3.5
107.00202	4.7
110.97536	8.5
112.99125	2.4
114.97077	2.6
116.98602	46.3
119.01972	1.7
119.78786	1.8
124.95470	7.8
128.98604	15.5
131.00154	6.8
132.98077	13.2
134.99644	20.5
142.96510	14.6
143.00246	2.5
144.98077	2.3
145.01674	2.8
146.99634	36.5
149.01239	8.8
150.99142	39.6
151.02798	3.1
152.98636	3.2
153.00711	2.8
158.99652	16.3
160.97575	13.6
161.01251	5.1
162.99121	3.6
165.00722	35.3
167.02316	2.3
169.00200	21.4
170.96078	6.2
170.99620	4.1
172.97612	2.8
174.99225	12.5
175.02815	3.9
177.00713	26.2
178.98643	2.1
179.02306	2.4
181.01773	2.9
183.01743	6.9
183.03293	4.8
185.01262	2.0
186.99174	4.8
188.97064	32.1
189.00684	8.9
190.98631	15.3
191.02307	2.3
193.00195	24.3
193.01781	21.6
193.03777	3.9
195.01752	4.1
200.97107	7.1
201.00671	2.9
201.04340	5.6
202.98651	7.8
203.00366	2.4
203.02298	4.7
205.00154	16.1
205.01775	2.6
206.98141	29.0
207.01807	8.3
208.99701	3.2
211.01201	2.7
211.02806	44.4
213.00739	2.4
214.98543	2.8
217.00175	2.3
217.03888	3.0
218.98123	19.4
219.01704	13.2
220.99623	13.3
221.01480	1.8
222.99138	3.8
223.01013	18.9
223.02890	6.4
225.04416	2.7
227.02225	2.8
228.96581	5.1
229.03757	4.9
230.98175	5.0
232.99731	5.2
234.30118	1.9
235.01166	3.4
237.00763	2.4
237.02811	43.0
239.00621	3.7
239.11868	1.9
241.03958	11.6
244.99640	2.9
245.03336	8.2
246.97609	26.5
248.99239	4.0
251.02272	7.3
253.03899	3.7
255.01743	37.3
255.03943	3.3
259.04990	2.1
260.99051	8.3
263.00681	16.8
264.98538	8.9
269.03244	13.6
273.02832	21.7
277.02359	4.4
277.05966	9.8
279.00107	28.7
281.01892	7.3
283.03534	2.8
287.04428	6.7
293.03574	2.5
295.01202	2.0
295.04056	2.3
295.07010	46.1
297.02753	5.9
307.01117	2.1
309.02689	2.4
313.02390	10.0
321.01263	5.4
323.00592	5.0
323.06430	7.8
327.03885	4.1
331.03412	2.8
331.73810	1.9
337.02213	12.3
339.02457	3.4
341.01859	5.0
347.00821	5.1
351.00137	9.3
353.07700	10.4
355.03452	18.1
365.01819	31.6
367.03418	6.8
369.05005	4.8
373.04385	3.9
379.03427	14.0
383.02856	42.4
387.05945	5.6
395.02991	2.8
397.04486	3.6
401.04056	4.9
413.03894	11.6
425.04208	8.9
431.04926	3.2
441.03384	31.8
443.04913	5.9
443.11108	1.7
457.10504	32.7
459.04572	8.4
497.09689	1.7
501.05237	5.8
533.12213	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	532.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	3.7
55.05511	22.7
56.76299	3.2
56.97723	3.1
57.03423	7.5
57.07062	5.1
59.54137	3.0
60.32754	2.9
61.02915	5.0
65.00362	2.9
67.05499	91.3
68.91132	3.8
69.07056	26.7
70.50385	9.4
70.50737	6.6
71.04967	3.3
79.05054	5.0
79.05488	68.9
81.03392	5.3
81.07051	100.0
83.04971	6.2
83.08600	15.5
85.02903	9.7
85.06522	6.3
91.04005	3.3
91.05470	43.7
93.06465	5.5
93.07037	87.4
94.07403	3.2
95.04955	8.2
95.08598	75.2
97.02877	5.6
97.06535	4.6
97.10157	5.3
99.08089	5.7
105.07024	31.9
106.07338	4.8
107.08578	53.6
109.06496	3.2
109.10155	46.4
117.07050	18.3
119.08559	29.1
120.08902	3.9
121.10136	52.7
123.08060	3.9
123.11701	19.8
129.07010	5.9
131.08577	39.5
133.10139	23.6
135.11681	40.4
137.13240	7.0
139.11157	3.6
140.75172	2.9
143.08559	5.5
145.10124	26.4
147.11690	19.4
149.13245	24.7
157.10136	6.0
159.11668	25.0
161.13228	16.9
163.14787	19.1
171.11656	5.0
173.13255	21.9
175.14821	4.9
177.16359	5.1
179.14185	3.7
182.10486	3.0
183.11627	3.2
187.13217	4.0
187.14847	8.6
201.16260	3.7
210.60756	3.2
233.22693	7.1
241.19562	4.0
243.21091	33.3
259.20602	4.6
260.20929	4.9
261.22122	96.0
263.23523	3.5
291.19373	3.4
308.95093	3.7
335.25616	15.8
353.26889	33.0
369.24304	7.0
422.31390	3.8
440.32303	5.8
458.33194	5.3
504.37482	8.3
514.36163	20.2
532.36987	14.1
533.30750	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	531.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01895	1.6
55.01860	2.3
55.05514	21.4
57.03450	2.4
57.07082	4.6
67.05504	56.7
68.70959	1.9
69.07069	23.9
71.04987	4.2
79.05495	34.2
81.03436	8.1
81.07058	56.2
83.05000	3.6
83.08613	12.3
85.06564	8.1
91.05481	22.7
93.07048	37.9
95.04995	7.4
95.08612	64.6
97.06554	3.7
97.10136	2.0
99.08077	3.3
105.07035	18.9
107.08583	19.2
109.09428	2.8
109.10148	19.6
111.08111	3.2
112.64197	1.9
117.07037	6.3
119.08570	19.3
121.10181	15.4
121.76591	1.8
125.09618	1.8
129.06990	2.8
131.08553	10.1
133.10136	16.7
135.11676	10.7
137.13297	3.6
143.08626	2.5
145.10107	10.7
147.11723	6.4
149.13329	9.7
157.10194	3.4
159.11723	6.1
161.13284	12.6
163.14909	2.4
166.79439	1.7
171.11807	2.8
173.13319	3.8
175.14876	3.4
179.14326	3.5
189.51466	1.9
193.12242	4.3
229.82507	2.4
253.14423	2.6
261.22342	3.6
318.47018	2.0
439.35922	7.0
440.11755	1.9
457.36725	3.1
491.73666	2.1
513.39679	5.4
523.05188	1.9
531.40466	100.0
532.40759	2.1
542.40289	2.2
544.02026	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	531.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.2
53.50031	2.2
55.01868	3.5
55.05512	37.1
57.07074	5.8
58.62069	2.3
65.03920	3.0
67.05502	67.1
69.03461	3.3
69.07070	32.4
69.78720	2.2
71.04986	4.4
71.08636	4.3
71.59862	2.7
79.05492	45.5
81.03414	56.8
81.03848	4.1
81.07053	68.7
83.05038	2.9
83.08620	32.0
85.06570	6.3
91.05471	35.0
93.07039	37.2
94.07398	3.2
95.04959	21.1
95.08598	65.1
97.06548	8.2
97.10194	10.8
99.08100	5.7
105.00114	5.8
105.07019	24.4
107.04950	3.8
107.08579	19.8
109.06583	2.9
109.10155	24.8
111.08120	7.8
111.11754	2.8
117.07061	3.1
119.08570	23.3
121.10111	16.8
123.11747	5.2
125.09628	2.6
129.07054	6.2
131.08600	10.3
133.10118	13.9
135.11650	13.9
145.10132	9.9
147.11725	10.5
149.09630	3.9
149.13300	6.2
157.10115	3.8
159.11697	6.7
161.13332	9.6
163.14851	3.4
175.11189	6.5
193.12224	26.4
249.14908	6.1
265.25235	5.3
305.91614	2.3
366.53995	2.7
391.09528	2.4
439.09726	2.7
458.45245	3.6
531.40405	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	531.3677
Annotation	CHEBI:66781
Peak:m/z	Relative Intensity
50.37203	2.0
53.03933	5.5
55.01858	6.3
55.05509	29.3
57.03432	11.1
57.07067	4.6
61.09425	2.0
65.03925	3.0
67.05500	58.8
67.74428	2.0
68.84072	1.9
69.07061	25.5
70.01222	6.4
70.01630	3.1
71.04960	5.8
79.05048	3.7
79.05485	51.4
79.82105	1.8
81.03400	3.8
81.07050	57.8
83.04961	8.8
83.08603	13.4
85.06532	4.1
91.05477	44.0
93.07039	54.9
95.04942	9.3
95.08602	36.9
97.06528	4.5
97.10136	16.3
103.26136	2.1
105.07016	45.6
107.08588	38.3
108.44981	2.0
109.06525	4.7
109.10139	20.3
111.08075	3.7
117.07018	21.1
119.08572	47.5
121.10152	17.9
123.08014	3.3
123.11684	5.4
125.09633	10.5
128.06256	3.3
129.06969	16.0
131.08562	36.2
133.10123	32.6
135.08040	3.9
135.11696	27.6
141.06961	3.9
142.07739	3.6
143.08537	21.0
145.10114	39.1
147.08073	3.2
147.11674	31.2
149.13226	7.4
151.11180	4.0
155.08516	8.0
157.10097	22.5
159.07941	2.0
159.11688	30.3
161.09645	2.8
161.13249	17.9
163.11116	2.5
169.10121	13.8
171.11671	19.7
173.13264	20.3
175.11125	3.3
175.14784	7.6
181.10130	5.7
181.12247	5.3
183.11729	14.0
185.13287	19.5
187.11177	3.1
187.14793	11.0
189.11166	3.8
189.12778	3.0
195.11682	4.5
197.13249	12.8
199.13245	3.8
199.14894	10.7
201.16367	3.8
203.14195	2.3
209.13153	6.0
211.14783	8.1
213.16389	6.4
223.14792	4.8
225.16283	5.0
227.12729	4.2
231.20995	4.8
237.16341	2.5
241.19501	13.5
243.20906	2.8
247.16994	2.4
253.14229	4.5
255.15872	23.2
257.19086	3.9
259.20560	28.1
261.22290	3.0
275.20218	2.6
285.22214	3.1
287.23547	4.5
297.22006	3.7
315.23056	4.4
332.52145	2.3
333.24197	14.4
353.91312	2.5
393.31488	4.2
403.29758	8.6
409.30902	5.9
411.32578	8.6
421.30890	26.9
427.31943	3.4
429.33438	5.4
439.31946	23.1
457.33179	20.6
483.34610	4.1
485.36105	8.0
495.34512	10.6
501.35870	7.8
503.37256	27.1
513.35767	100.0
531.29559	3.4
531.36835	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01865	6.4
55.05307	1.5
55.05511	20.5
57.03433	4.7
57.07061	5.6
57.19659	1.6
65.03928	4.1
65.36385	1.8
67.05504	91.5
69.03407	3.1
69.07070	24.1
71.04980	7.2
73.94879	1.8
79.05492	62.3
81.03413	7.1
81.07056	89.0
82.07395	3.1
83.04980	10.3
83.08618	8.5
85.06541	8.9
87.04463	5.0
91.05479	58.6
93.06464	3.5
93.07041	68.6
95.04963	13.0
95.08604	38.3
97.06514	4.5
97.10172	3.4
99.04455	2.7
99.08090	2.2
105.07029	59.3
107.07867	2.6
107.08591	59.7
109.06507	7.4
109.10153	82.8
111.08093	2.8
113.05970	2.8
117.07019	8.2
119.08578	18.4
121.10121	22.1
123.08018	2.7
123.11707	12.5
125.09550	2.1
127.07562	3.5
129.07037	2.7
131.08578	18.8
133.10126	90.5
135.11707	18.4
138.67502	1.6
143.08557	2.8
145.02736	2.6
145.10155	10.9
147.11674	7.9
149.13248	7.3
151.11172	53.0
153.29529	1.9
157.10101	2.3
158.64050	1.6
159.11661	7.5
161.13252	5.9
163.14822	3.3
169.12238	11.7
171.11691	2.1
173.13248	6.3
175.14871	1.9
177.05424	8.9
179.10637	1.6
179.14288	3.1
185.13213	2.3
187.14827	4.4
215.12799	5.6
243.21065	4.5
253.14348	84.0
261.22098	21.4
264.90329	1.7
271.15359	3.8
277.21481	2.4
317.24716	5.3
411.32843	2.0
439.31821	3.5
457.33209	5.1
503.37421	2.1
513.35687	14.1
531.37488	100.0
532.37549	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	531.3678
Annotation	CHEBI:66781
Peak:m/z	Relative Intensity
53.03936	5.3
55.01856	6.5
55.05264	3.3
55.05508	39.7
57.03436	12.3
57.07068	4.2
65.03949	2.4
67.05499	71.6
69.07059	25.3
71.04970	6.8
76.70518	1.7
77.96154	1.7
78.04478	2.0
79.05060	4.2
79.05491	56.9
81.03414	7.3
81.07053	60.8
83.04967	6.0
83.08610	17.9
85.02908	2.3
85.06509	4.6
90.55791	1.9
91.05475	48.6
93.07040	50.2
95.04954	11.1
95.08601	48.1
97.02816	2.2
97.06516	8.2
97.10189	10.4
105.07022	54.9
107.08582	34.7
109.06502	4.2
109.10143	24.9
111.08072	2.9
115.05472	2.8
117.07024	24.9
119.08572	43.6
121.06448	3.1
121.10116	20.9
123.08056	6.3
123.11697	4.7
125.09617	7.2
128.06198	5.3
129.06987	17.0
130.07719	2.5
131.08569	43.3
132.08862	2.1
133.10121	40.6
135.08011	3.5
135.11688	23.6
137.09657	3.5
141.07011	3.0
142.07809	3.7
143.08557	27.3
144.09161	2.2
144.35600	2.6
145.06384	2.3
145.10100	45.6
147.11679	31.5
149.13234	7.8
151.11169	2.3
155.08560	9.8
156.09322	2.3
157.10117	25.5
157.48164	2.0
159.11688	35.0
161.09633	3.4
161.13249	17.5
163.11157	5.1
163.14807	2.9
167.08539	4.2
169.10095	16.3
171.11676	25.2
173.13261	24.2
175.11148	4.6
175.14836	7.1
177.12640	2.3
179.14255	2.1
181.10077	6.8
181.12088	2.4
183.11687	15.0
185.13257	25.2
187.14825	11.3
195.11670	7.2
197.11597	3.4
197.13243	16.1
199.14780	12.0
201.16399	4.2
203.14206	2.5
209.13232	5.9
211.14772	6.9
213.16408	4.3
217.15828	2.6
221.13258	2.5
223.14772	5.6
225.16374	4.7
227.17975	3.7
229.15845	2.3
235.14764	2.7
237.16348	4.1
239.17821	2.5
241.19530	9.6
243.17610	2.5
247.16953	2.6
253.14267	4.0
255.15828	11.0
259.20551	21.6
261.18152	2.1
269.18869	3.6
275.19983	2.6
279.20987	2.6
283.20563	3.2
285.22110	2.6
287.19998	2.7
297.21890	3.6
299.23514	4.0
303.23059	2.3
309.21887	4.0
311.23663	2.2
313.21613	3.5
315.23138	2.7
323.23636	4.2
325.21725	2.6
329.24750	3.0
333.24164	8.2
335.23410	2.6
341.24744	3.0
393.31512	4.5
403.29904	7.9
409.30902	4.4
411.32404	10.6
413.50241	2.1
421.30988	29.4
429.33655	4.6
439.32071	17.8
457.33032	22.2
485.36063	7.9
495.34467	7.3
501.35513	5.9
503.37241	31.9
513.35718	100.0
531.36707	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
55.05503	40.0
57.03421	12.4
57.07062	4.4
65.03929	3.9
67.05167	5.0
67.05497	72.4
69.07062	22.7
71.04990	8.3
79.05047	5.0
79.05485	61.0
81.03391	8.5
81.07053	63.1
83.08599	18.5
85.06527	4.7
91.04964	4.4
91.05473	52.0
93.07036	59.9
95.04949	8.9
95.08595	43.2
97.06513	7.6
97.10141	11.4
98.21523	7.0
105.07020	47.9
107.04977	3.5
107.08577	46.4
109.06569	4.9
109.10143	29.6
111.08082	5.0
117.06994	27.7
119.08566	45.0
121.10103	23.5
123.08022	5.0
123.11662	5.5
125.09616	7.5
129.06967	12.8
131.08549	41.4
133.10117	37.9
135.11679	28.4
141.06995	5.3
142.07758	4.7
143.08568	25.0
145.10123	42.3
147.11685	26.2
149.13232	7.1
151.11194	3.2
155.08568	10.5
157.10107	24.9
159.11679	29.8
161.13243	14.4
163.11107	5.4
169.10115	15.8
171.11690	27.2
173.09546	3.2
173.13245	27.4
175.14911	5.8
181.12251	3.8
183.11613	14.4
185.13205	19.3
187.14804	9.8
193.12303	3.6
195.11696	8.1
197.13254	12.7
199.14754	11.2
209.13237	8.3
211.14771	11.2
213.16310	4.4
225.16373	5.5
241.19502	14.0
243.17662	2.9
243.20773	3.1
253.14311	5.3
255.15776	14.7
259.20566	28.7
275.20108	4.1
285.22107	4.3
301.21500	3.6
315.23126	5.3
327.23175	5.4
329.24835	4.2
333.24158	11.5
348.36429	3.7
355.26245	3.1
376.95419	3.1
393.31433	7.0
403.29977	8.1
409.31058	5.2
411.32574	12.6
421.30750	28.7
429.33737	5.2
439.31851	23.8
457.32956	23.9
485.35767	9.4
491.37820	2.9
495.34311	9.3
501.35617	6.1
503.37253	33.4
512.84619	3.9
513.35730	100.0
531.36536	65.1
559.97607	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	531.368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.6
55.01861	6.1
55.05260	1.9
55.05506	22.2
57.03426	4.5
57.07057	4.7
65.03934	5.6
66.45211	1.3
67.05501	87.8
68.05807	2.1
69.03403	5.4
69.06714	2.2
69.07061	28.2
70.22495	2.5
70.22900	5.1
71.05000	8.8
79.05490	61.8
79.05965	3.3
80.05812	1.6
81.03397	5.8
81.07053	93.5
82.07388	1.7
83.04970	10.7
83.08596	7.5
85.06562	7.0
87.04453	3.5
90.02752	1.3
91.05476	65.3
92.05842	1.7
93.07040	70.4
94.07366	1.6
95.04972	12.3
95.08606	37.7
97.06509	5.5
97.10152	2.6
99.04427	2.9
99.08048	2.3
103.05501	1.5
105.07027	62.3
107.04868	2.2
107.08588	56.9
108.08920	2.0
109.06543	6.7
109.10149	88.7
111.08087	2.6
113.05980	3.5
117.07020	10.1
119.08588	18.2
121.10136	23.8
123.08115	2.0
123.11701	15.6
125.09597	2.0
127.07524	4.6
129.06996	2.2
131.08557	14.5
133.10123	100.0
134.10464	2.0
135.11678	16.9
143.08514	2.8
145.02849	4.6
145.10109	13.1
147.11661	6.8
149.13283	9.3
151.11176	54.5
153.12697	1.8
159.11719	8.9
161.09590	2.3
161.13252	6.1
163.14871	3.7
169.12242	11.3
173.13226	6.0
175.14886	2.2
177.05455	11.0
179.10658	3.6
179.14345	1.8
185.13184	1.9
187.14822	2.9
192.09094	1.4
215.12729	6.2
241.19362	1.5
243.21078	4.3
253.14343	93.0
259.20755	2.1
261.22128	21.4
271.15375	4.3
277.21625	2.3
317.24750	5.4
429.72824	1.7
439.32068	5.3
457.32962	6.7
513.35681	12.9
531.37378	98.5
532.37561	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	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98136	1.9
53.03936	2.8
55.01859	6.9
55.05508	27.1
57.03421	7.0
57.07063	4.0
64.85480	2.2
65.03927	4.7
66.30862	2.0
67.05502	100.0
68.05829	2.6
69.03408	2.4
69.07066	24.6
69.82995	2.0
71.04981	6.2
71.08617	1.9
71.59662	2.9
72.08148	14.1
73.08479	4.2
77.03899	2.2
79.05057	3.4
79.05490	63.0
80.05853	2.2
81.03392	5.0
81.07053	85.7
82.07356	2.4
83.04968	8.1
83.08599	10.8
85.02891	3.3
85.06522	7.6
91.05476	61.3
92.05800	2.1
93.06459	4.3
93.07035	61.9
95.04974	11.8
95.08605	35.2
97.06529	4.4
97.10182	4.9
98.98785	2.0
99.08060	3.2
105.06380	3.3
105.07030	45.9
107.04935	3.3
107.08594	52.5
108.08936	2.3
109.06499	6.9
109.10152	70.1
109.10909	3.5
113.06007	3.0
117.07012	7.3
119.08578	15.4
121.10135	27.2
123.08086	2.9
123.11726	11.3
123.12485	2.0
125.09660	5.3
127.07534	3.3
131.08568	12.2
133.10132	80.6
135.11674	13.2
143.08562	2.8
145.10088	9.7
145.18323	2.2
147.11655	7.8
149.13234	8.4
151.11166	36.7
151.48685	2.2
159.11644	5.6
161.13274	5.3
163.11221	2.2
163.14838	3.8
169.12209	8.5
171.11716	3.6
173.13261	5.9
175.14787	3.0
179.10551	2.5
187.14838	2.7
201.55705	2.0
211.14908	2.5
215.12906	3.8
229.14496	4.0
230.14561	3.4
243.21008	4.2
253.14326	62.5
261.22128	22.0
269.17212	3.2
270.17715	3.9
271.15460	2.9
317.24829	2.7
424.27579	2.7
439.31982	6.3
457.32843	4.5
513.35693	14.6
531.27356	3.6
531.36768	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	531.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96544	0.5
59.97371	0.3
61.02900	0.5
62.94875	0.5
65.10762	0.4
67.05483	1.1
79.05487	0.7
81.07054	1.0
83.05000	0.5
83.08601	0.6
85.02866	0.9
91.05453	0.8
93.07018	0.6
95.04963	0.7
97.02866	0.6
105.07039	1.1
107.08595	0.5
119.08639	0.4
120.71496	0.4
123.04425	0.5
126.79964	0.5
299.05496	0.7
314.07092	0.4
322.93130	0.5
339.27441	0.9
446.38110	0.4
507.17987	0.4
513.33685	0.8
531.34991	100.0
532.35254	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	531.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.1
55.01857	6.5
55.05509	27.8
56.03691	2.5
57.03411	7.5
57.07061	4.6
62.62060	2.3
65.03914	5.4
67.05503	100.0
69.03409	4.6
69.06728	2.8
69.07066	27.1
71.04969	7.0
79.05489	63.1
81.03407	10.4
81.06583	4.9
81.07055	95.6
83.04987	11.0
83.08597	12.2
85.06522	8.7
87.25363	2.4
91.05476	69.7
92.07536	2.4
93.06474	4.4
93.07039	71.5
94.25663	2.0
95.04967	15.6
95.08046	3.4
95.08604	48.4
97.06506	9.0
97.10142	7.2
98.20748	4.3
99.04386	2.5
104.74163	2.0
105.07024	59.1
107.04885	2.9
107.08588	66.1
109.06494	6.4
109.10149	78.4
111.08042	5.0
113.05998	2.1
117.07001	14.2
119.08581	26.6
121.10135	26.5
123.07988	3.2
123.11687	13.8
125.09603	3.7
127.07564	4.2
128.06172	3.2
129.06967	5.1
131.08560	25.5
133.10124	85.3
134.98106	2.5
135.11661	22.8
137.09532	2.6
141.06947	3.0
142.07817	2.8
143.08525	8.6
145.10129	20.0
147.11665	14.8
149.09602	3.4
149.13278	12.9
151.11166	41.4
153.12721	2.6
155.08553	2.9
157.10081	8.2
159.11700	10.7
161.09570	3.9
161.13203	10.4
163.14757	3.7
167.08612	2.7
169.10115	6.6
169.12215	11.8
171.11665	7.0
173.13257	13.8
175.14790	4.1
179.10612	3.0
181.10094	2.8
183.11652	4.6
185.13206	6.3
187.14859	4.3
193.12210	4.3
209.13264	2.9
215.12773	3.1
229.43814	3.3
243.21007	6.7
253.14340	87.0
255.15816	6.5
259.20496	9.8
261.22171	21.6
271.15320	2.8
273.16925	2.4
287.23621	2.8
352.76318	2.3
403.29749	3.2
411.32385	3.2
421.30728	6.4
439.31998	10.4
457.33334	11.0
475.33878	4.2
485.35635	3.1
495.34460	3.0
503.36783	7.5
513.35736	45.5
514.36346	2.8
531.36694	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36720	0.2
53.03927	0.3
55.01865	0.6
55.05514	0.3
57.21350	0.2
61.02916	0.3
67.05508	0.6
69.03408	0.5
71.60028	0.4
71.60389	0.3
73.41094	0.2
79.05497	0.9
81.03414	0.5
81.07055	0.9
83.04967	0.2
85.02908	0.4
91.05470	0.7
93.07043	0.4
93.78555	0.2
95.04976	0.6
97.06516	0.2
97.10177	0.4
99.49413	0.2
103.05418	0.3
105.07037	0.6
107.04962	0.3
109.02874	0.8
109.10168	0.3
116.58291	0.3
119.04939	0.7
121.06461	0.3
123.04397	0.4
125.09620	0.5
129.06949	0.2
131.04926	0.3
131.08510	0.3
133.06470	0.6
137.05977	0.4
145.06578	0.3
147.04427	0.7
161.05984	2.2
175.07463	0.3
182.35658	0.3
189.11284	0.5
212.27722	0.3
243.13884	0.4
272.26364	0.3
273.14963	0.3
289.14316	2.5
321.26331	0.3
327.15878	0.6
345.17050	0.7
369.29431	0.5
399.10785	0.7
421.23703	0.6
439.24710	1.2
457.26486	0.3
513.28436	1.0
531.35028	100.0
532.35272	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	531.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91518	0.2
55.01868	0.3
55.05507	0.3
67.05495	0.7
68.86501	0.2
69.03413	0.2
70.08152	1.0
81.03435	0.3
81.07044	0.5
82.04353	0.2
83.04954	0.2
83.93749	0.2
84.45054	0.2
91.05472	0.4
93.07054	0.3
95.08624	0.2
97.10131	0.3
105.07044	0.4
109.02882	1.2
117.06999	0.3
119.04934	0.3
123.08072	0.2
125.09586	0.3
131.04878	0.2
133.06488	0.3
145.06476	0.4
147.04393	0.5
147.08098	0.3
161.05962	1.7
171.10411	0.2
175.07547	0.3
189.11310	0.3
203.05223	1.0
225.53127	0.2
243.13855	0.3
249.40216	0.2
271.13446	0.3
273.14923	0.3
289.14371	1.9
303.91174	0.2
327.15833	0.4
345.16940	0.4
351.28726	1.9
369.29791	0.3
399.10892	0.3
421.24048	0.4
439.24722	0.9
481.06815	0.2
484.13535	0.2
513.28497	0.7
513.34509	0.6
531.35010	100.0
532.35297	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06585	1.4
56.96567	81.5
58.06590	1.6
67.52282	1.6
70.48148	5.4
70.98115	18.4
74.97602	9.7
84.96033	6.2
85.02905	3.2
88.28272	1.4
88.99167	21.4
91.02491	1.4
91.49032	1.5
92.98621	1.6
97.02887	3.7
98.97576	6.7
99.73153	1.5
107.00179	12.5
107.04986	2.0
116.98603	5.4
119.08160	2.3
122.54076	1.5
125.01279	1.8
126.02654	1.4
128.98599	7.7
134.99672	3.4
144.98148	1.9
146.99646	38.6
150.99152	6.6
153.01808	1.7
154.96590	2.3
158.99667	1.7
161.01199	1.8
162.99091	4.1
165.00722	95.1
169.00218	5.2
172.97577	17.7
173.03004	1.6
177.00647	2.4
181.01791	2.0
182.96091	1.4
183.01787	22.1
185.06639	1.9
186.99147	2.0
188.02246	1.9
189.00623	1.8
190.98642	100.0
193.00241	2.6
193.01724	8.5
201.00652	2.0
201.04395	2.6
204.98210	2.1
205.00175	36.5
205.01950	2.3
205.03540	2.0
208.99687	39.1
209.01591	2.3
211.02753	20.0
214.00226	2.8
214.98653	1.9
218.98111	29.0
218.99863	1.1
220.99545	3.7
221.01422	3.4
223.01199	68.0
225.16078	1.6
227.02397	1.9
230.98064	2.4
232.99686	24.0
236.99138	20.5
237.02821	4.2
239.02277	3.8
241.03882	6.7
245.03293	2.4
247.01241	2.1
248.99092	7.4
251.00681	37.9
255.01784	8.5
257.03259	2.6
263.00769	17.5
264.00644	1.6
269.03604	2.4
273.02802	4.4
275.00787	2.1
279.01797	2.6
280.07895	1.7
281.01581	16.0
285.02704	2.1
291.00110	14.1
309.01135	19.5
313.02249	4.1
323.04471	5.0
353.01654	2.5
353.05515	6.1
367.03397	26.2
381.04935	5.1
385.04349	21.7
395.02856	44.2
408.05759	4.0
409.04376	3.8
412.98676	3.0
413.03937	42.9
425.04495	1.4
427.05969	2.4
431.05090	2.6
436.05423	3.6
443.05014	2.3
453.03253	1.8
458.85114	1.8
471.04507	16.8
547.28485	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.05504	2.1
57.03428	1.5
57.06816	1.1
57.07075	12.9
58.04657	0.6
61.02922	1.5
63.51895	0.7
67.05501	3.3
68.05846	0.8
69.03425	2.6
69.07043	1.6
69.38263	2.8
69.38698	4.1
71.08631	21.2
73.06556	1.6
79.05499	2.7
81.03410	2.8
81.07058	2.7
83.04987	1.3
83.08632	1.3
85.02906	6.9
87.04456	2.0
89.06030	100.0
91.05479	2.1
93.07046	2.6
95.04971	1.3
95.08585	1.2
97.02892	2.5
105.07035	1.7
107.04956	0.8
107.07056	5.0
107.08585	1.6
109.10157	1.0
113.13303	2.5
119.08568	1.4
121.10132	0.8
127.03886	1.6
130.08655	1.6
131.08513	1.2
133.08600	53.1
135.11682	0.7
145.10081	1.5
147.11774	0.8
151.09683	6.0
177.11227	11.5
178.45468	0.8
193.12270	0.9
195.12277	4.7
211.13329	2.2
221.13843	1.8
239.14879	85.1
245.21103	1.8
285.16882	2.0
351.27408	49.4
426.13696	0.7
526.20026	0.8
530.35498	2.3
531.14972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00582	1.2
53.03937	3.5
55.01879	3.7
55.05509	16.4
57.03437	11.3
57.07048	1.7
59.04999	2.0
61.80935	1.5
65.03949	2.1
67.05504	80.3
69.07069	18.6
69.33164	9.5
69.33591	5.6
71.04995	29.0
73.02921	1.7
79.05495	33.3
80.34009	1.4
81.03411	3.6
81.07055	100.0
82.07430	1.7
83.04974	8.4
83.08621	14.1
85.06537	9.3
91.05479	28.7
93.07043	47.2
94.07361	2.6
95.04962	6.5
95.08607	20.1
96.08960	1.5
97.06523	8.7
97.10162	2.6
99.08081	2.2
105.07021	15.9
107.05048	2.2
107.08595	30.2
109.06528	4.7
109.10155	9.6
111.08086	4.8
117.07043	7.4
118.63020	1.4
119.08578	2.6
121.06493	1.6
121.10155	15.8
123.11720	12.7
125.09669	1.7
129.54778	1.3
131.08565	10.7
133.10126	20.8
134.10446	1.6
135.11684	9.3
147.11676	4.0
149.13257	25.7
151.11217	7.3
159.11694	13.2
163.11107	2.2
175.68063	1.4
177.12758	6.5
183.13893	4.1
187.13263	3.5
195.13770	9.5
229.14281	2.5
269.17456	39.6
275.20108	2.0
301.20047	21.8
333.54453	1.7
437.28964	67.3
451.30527	15.6
463.30533	55.6
464.30652	1.7
495.33197	33.8
530.39417	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	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.0
55.05513	20.9
57.03435	17.4
67.05500	29.6
69.03416	6.3
69.07061	7.5
71.00282	4.0
71.00610	3.2
71.04988	7.0
74.65071	2.2
77.20634	2.0
79.05489	32.0
81.03411	78.1
81.07056	36.1
83.04967	18.4
83.08614	31.8
85.02897	34.8
85.06517	2.6
91.05475	43.9
93.07040	22.3
95.04963	36.5
95.08595	15.5
96.52872	2.0
97.02877	7.1
97.06535	3.7
97.10159	6.1
98.55012	2.1
105.07021	27.1
105.07686	3.3
107.04955	10.5
107.08591	9.1
109.06506	6.4
109.10129	4.6
111.04441	4.8
111.08064	14.2
113.06029	2.8
115.05470	2.5
117.07032	4.4
119.08587	20.7
121.06482	2.9
121.10098	10.0
123.11674	3.0
129.06990	15.8
131.08542	18.1
133.06468	2.6
133.10104	18.5
137.09676	2.6
142.07732	3.4
147.08029	2.5
147.11674	19.7
149.09566	6.5
157.10098	18.7
165.12819	3.9
175.11180	22.3
193.12236	70.9
211.13280	100.0
249.14807	2.4
267.13278	3.2
267.15881	25.7
285.16922	84.4
287.05432	3.2
320.73627	2.1
414.35867	2.2
421.32291	2.1
459.27408	7.1
477.28275	13.0
495.29471	28.1
530.33594	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	529.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21698	1.0
53.03933	4.5
55.01864	2.9
55.05258	1.5
55.05508	20.6
57.03421	5.1
57.07060	2.7
62.07862	1.1
63.79208	1.3
65.03930	4.1
67.05499	66.5
69.07064	19.7
69.35731	7.6
69.36163	3.9
71.04986	3.2
79.05486	56.7
81.03429	1.7
81.07054	73.4
83.04980	5.9
83.08624	9.9
85.06541	3.2
91.05480	35.7
93.07037	70.1
93.21619	1.0
95.04983	8.4
95.08603	36.0
97.06533	8.7
97.10178	2.5
99.08090	2.2
105.07020	21.6
107.08586	34.5
109.06496	3.1
109.10153	10.4
111.08087	3.2
117.07004	10.3
119.08570	13.8
121.10133	26.2
123.08069	1.1
123.11718	2.6
129.06976	6.0
131.08562	19.4
133.10115	11.7
135.08098	1.6
135.11682	13.5
139.11159	1.6
143.08575	4.5
145.10124	12.2
147.11668	6.5
149.13245	22.7
155.08580	3.3
157.10172	4.0
159.11700	14.8
161.13281	2.8
169.10164	2.7
171.11687	2.5
173.13234	5.5
175.14696	2.3
177.12735	4.5
179.95488	1.0
183.11691	1.6
185.13297	3.0
187.14861	3.2
195.13809	4.7
197.52756	1.2
199.14777	2.0
222.61536	1.0
248.62729	1.1
261.22195	3.8
298.36655	1.2
328.32123	1.2
379.68893	1.2
419.33099	2.3
437.34192	5.3
455.35083	3.1
511.37769	3.2
529.38873	100.0
530.39105	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	529.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70959	0.2
67.05499	0.4
70.04505	0.6
70.04926	0.9
70.06555	0.4
72.56139	0.3
79.05489	0.3
95.08579	0.3
98.20826	0.4
107.90933	0.3
108.99706	0.2
123.04410	2.3
139.03876	1.4
142.95012	0.3
173.76881	0.2
201.03658	0.6
203.05263	0.7
205.06949	0.3
273.07510	0.5
331.24792	0.4
349.27267	0.5
351.28818	1.0
367.27805	0.4
499.32397	0.7
529.33466	100.0
530.34045	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.277
Annotation	Terpenoid EA-I
Peak:m/z	Relative Intensity
53.03934	1.1
55.01867	0.9
55.05513	3.2
57.03430	1.0
61.02896	1.0
67.05495	9.2
69.03417	0.8
69.07059	2.9
71.01326	1.2
71.04980	0.8
71.60202	0.6
71.60574	0.5
79.05482	9.0
81.03413	2.5
81.07051	9.3
83.04955	1.5
83.08601	1.2
85.02906	1.1
85.06516	0.6
91.03944	0.5
91.05476	7.0
93.07034	7.2
95.01301	0.6
95.04945	2.5
95.08597	6.3
97.02880	0.7
97.06515	1.8
97.10158	1.0
97.10793	0.4
99.04462	0.6
105.07011	6.1
107.04931	2.9
107.08588	3.8
109.02821	0.5
109.06498	1.2
109.10133	1.9
111.08050	0.8
117.06991	2.2
119.08569	4.5
121.06455	1.0
121.10115	1.6
123.04461	0.7
123.08034	1.3
123.11703	0.7
123.53238	0.5
128.06241	0.5
129.07025	2.1
131.08530	3.1
133.10130	2.7
135.11671	2.6
143.08556	1.7
145.06485	0.9
145.10109	2.8
147.04305	0.5
147.08051	0.6
147.11681	2.1
149.09518	0.9
149.13225	1.0
157.10106	1.1
159.11688	2.6
161.13226	0.9
163.11206	1.1
169.10075	0.8
171.11693	2.0
173.13185	0.6
175.14772	0.5
177.12668	0.7
183.11691	0.8
185.13242	1.7
187.11072	1.3
189.12682	0.9
205.12224	0.8
207.13823	0.7
227.12738	0.9
249.14880	1.6
257.19077	0.7
275.19955	2.2
279.15829	1.1
323.18536	1.4
365.15897	0.7
365.22934	14.9
367.17996	0.5
381.61819	0.4
437.30728	0.9
459.02466	0.5
511.33911	1.4
526.85620	0.5
529.27600	100.0
529.34381	3.8
530.28021	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	529.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52463	1.4
53.03941	5.3
55.01860	7.9
55.05503	16.1
57.03431	17.3
57.07083	2.1
61.02924	38.5
61.03212	3.1
65.03957	3.3
67.05502	52.4
69.03428	23.6
69.06721	1.7
69.07070	27.0
70.48574	1.4
71.01366	2.5
71.04987	6.3
71.68129	1.4
73.02915	19.0
79.05498	36.8
81.03408	18.0
81.07054	100.0
83.04990	8.7
83.08616	16.6
85.02902	41.5
85.06539	3.2
87.04442	2.0
91.03951	22.7
91.05475	37.0
91.06005	2.8
93.07034	31.1
95.04959	15.0
95.08607	28.3
97.02888	33.8
97.06533	15.0
97.10169	5.6
99.04440	6.1
99.08086	3.8
101.02380	7.3
103.03956	3.2
103.05444	1.8
105.06376	2.8
105.07030	36.3
107.04952	12.9
107.08597	24.0
108.74086	1.4
109.02198	1.7
109.02857	8.4
109.06510	18.0
109.10156	12.2
111.04447	1.4
111.08079	6.3
115.03912	1.9
117.07046	11.7
119.08575	26.1
121.06494	5.7
121.10139	13.7
123.04484	2.4
123.08060	7.9
123.11696	10.8
123.37373	1.5
125.09638	5.5
127.03923	13.9
129.05409	2.5
129.07001	5.9
131.08572	15.1
133.06480	2.0
133.10118	20.2
135.08052	6.3
135.11656	8.7
137.09630	5.6
143.08644	2.0
145.04958	3.4
145.06511	1.7
145.10133	15.4
147.08084	2.6
147.11691	30.1
147.12788	2.5
149.09616	11.5
149.13258	9.0
151.11177	3.8
155.08568	1.8
157.10132	5.4
159.11696	11.1
161.09666	2.5
161.13257	7.6
163.11143	9.0
163.14917	1.6
165.12727	9.9
169.10143	1.6
171.10295	2.2
171.11696	2.3
173.11841	1.8
173.13277	4.7
175.11203	4.6
177.12791	5.1
179.14369	3.2
183.06465	3.6
183.11775	1.9
185.13292	1.8
189.12852	2.0
191.14305	1.9
193.12291	4.1
195.13884	3.4
197.13217	2.5
200.64461	1.8
201.07622	3.0
207.13814	2.2
227.12627	2.3
229.19521	4.0
239.17963	2.9
246.95570	1.6
247.20555	5.1
257.19000	11.1
267.16034	2.1
275.20050	76.5
276.20444	1.9
293.21103	22.8
301.14380	2.1
315.04977	1.7
349.23749	21.9
367.24768	54.2
383.11353	4.3
511.29163	2.0
528.30768	1.6
529.34186	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	527.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31369	0.6
53.03934	2.5
53.40437	0.7
55.01866	2.4
55.05262	0.9
55.05508	13.9
57.03436	3.5
57.07051	1.1
59.04982	1.1
65.03925	1.7
67.05502	33.2
67.28979	0.7
69.03401	1.0
69.07067	10.1
70.15733	0.7
70.85637	1.8
71.04996	4.6
79.05489	24.8
81.03419	12.2
81.07055	29.7
83.04980	3.8
83.08620	8.4
85.06538	1.6
91.05475	25.0
93.07040	23.3
95.04970	5.9
95.08604	19.4
97.06519	2.7
97.10177	5.3
98.20851	0.8
99.08078	0.8
105.04503	0.8
105.07021	21.1
107.04965	2.1
107.08589	13.3
109.06530	2.4
109.10153	10.6
111.08087	2.4
112.15821	0.6
115.05429	1.8
117.07002	10.4
119.08576	15.1
121.06480	0.8
121.10137	10.0
123.08076	1.5
123.11691	2.4
125.09657	2.8
128.06209	2.7
129.06998	10.3
131.08566	18.4
133.10118	12.4
133.11078	1.0
135.08066	0.9
135.11694	6.3
141.06955	4.0
142.07751	2.2
143.08572	13.4
145.10123	12.5
147.08026	1.8
147.11705	7.5
149.09616	1.3
149.13264	3.2
151.11186	1.1
153.07085	0.8
153.80463	0.6
154.07700	1.2
155.08543	8.8
156.09314	1.5
157.10117	16.4
159.11678	12.0
161.09598	1.0
161.13260	2.7
163.11145	0.7
163.14856	1.1
167.08607	2.6
168.09433	1.3
169.10115	11.3
170.10820	0.8
171.11688	10.7
173.11877	1.2
173.13266	6.7
175.11177	2.2
175.14746	1.4
177.12752	1.1
179.08607	1.0
181.10085	4.9
183.11678	8.9
185.13268	7.8
187.11241	0.9
187.14857	3.0
189.11237	1.3
189.16400	0.8
193.10170	1.4
193.12225	5.6
194.11023	0.9
195.11708	4.7
195.13669	1.0
197.13225	6.7
198.86789	0.8
199.14810	4.6
201.12773	1.1
201.16409	0.9
207.11710	1.7
209.13260	3.6
211.14822	2.9
213.16441	1.3
221.13226	1.9
221.99925	0.7
223.14812	3.0
225.16393	1.6
235.14848	1.5
237.16489	1.2
241.19763	0.9
243.21240	0.6
247.14653	0.8
249.16455	0.7
261.22217	2.5
279.20859	0.8
281.18988	1.2
283.20633	1.7
295.20547	0.9
297.22034	1.0
299.23672	1.2
301.25446	0.8
309.22119	1.2
311.23618	1.0
315.23233	1.3
317.24966	0.9
321.22266	0.8
323.23697	1.2
327.23099	1.6
335.23700	1.0
337.25439	1.0
339.23135	1.2
341.24823	1.1
349.25223	0.8
353.24893	0.9
365.24905	1.3
407.32742	1.0
417.31375	5.7
435.32568	15.4
453.33737	10.3
471.34869	3.8
473.34137	1.2
482.19888	0.7
483.33521	1.4
491.34943	2.0
509.36099	8.3
527.37280	100.0
528.37390	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	527.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01864	1.1
55.05253	1.4
55.05512	15.7
57.03429	2.9
57.07055	1.6
59.06888	0.7
61.09993	1.0
61.63581	0.8
62.83297	0.8
65.03935	1.0
67.05505	24.0
69.07060	11.8
70.12793	1.6
70.13204	2.8
71.04982	1.9
79.05491	18.5
81.03430	2.0
81.07056	27.0
83.04977	1.6
83.08624	6.3
85.06506	0.9
88.17325	0.7
91.05481	20.4
93.07044	18.3
95.04047	0.8
95.04965	3.6
95.08605	16.0
97.06506	1.3
97.10152	2.5
100.67583	0.7
103.05491	1.1
105.07030	17.4
107.08582	11.5
109.10149	7.2
111.08101	2.0
114.86810	0.9
115.05447	2.9
117.07018	12.7
119.08588	14.4
121.10155	7.4
123.11720	1.4
123.68610	0.8
125.09643	1.7
128.06250	2.2
129.06996	12.4
130.07799	1.7
131.08565	20.1
133.10110	8.6
135.11711	3.6
141.07011	5.1
142.07788	3.5
143.08563	18.4
144.09315	1.4
145.06461	1.0
145.10107	17.7
147.11714	5.2
149.09651	1.2
149.13246	1.8
153.07047	0.8
154.07733	1.3
155.08528	10.8
156.09340	2.2
157.10130	15.2
159.08113	0.8
159.11690	13.0
161.13258	2.4
163.11177	1.3
167.08519	4.4
168.09363	1.8
169.10117	12.6
171.11667	11.9
173.13246	7.1
174.08670	0.8
175.11206	1.3
175.14821	1.6
179.08557	1.7
180.09267	1.0
181.10147	6.0
183.11653	10.9
185.13237	9.1
187.14853	2.2
193.10199	1.8
195.11690	6.2
196.12642	0.8
197.13231	10.6
199.14774	5.6
201.16316	0.9
207.11703	2.6
209.13245	5.2
211.14851	5.3
213.16463	2.5
219.11916	1.0
221.13315	2.6
223.14862	3.5
225.12849	0.9
225.16452	3.1
235.14848	1.7
237.16391	2.0
239.18013	1.4
241.19524	1.0
251.17957	0.9
279.21161	1.4
283.20581	1.3
297.22070	1.8
299.19919	1.0
309.22128	2.2
311.23718	2.4
315.23120	2.0
323.23679	1.6
323.27362	0.9
325.25134	0.9
337.25308	1.2
341.24902	1.4
349.25067	1.6
353.24747	1.4
361.25253	1.1
379.26193	0.9
417.31461	7.8
435.32574	19.2
436.32864	1.1
453.33548	9.1
471.34857	3.4
475.97415	1.1
491.35153	1.5
509.36255	12.2
527.37329	100.0
528.37732	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85448	0.6
53.03945	1.6
55.01869	1.5
55.05509	13.1
55.52297	0.6
56.26635	0.6
57.03434	3.1
57.07053	1.7
65.03937	1.6
67.05503	23.8
69.03422	0.7
69.06714	0.9
69.07068	10.1
71.04692	1.2
71.05036	1.6
74.91216	0.6
77.04770	0.7
79.05051	1.3
79.05487	18.5
81.03413	1.3
81.07056	22.4
81.31350	0.6
83.04993	1.2
83.08620	6.5
85.06548	1.5
89.69873	0.7
91.05476	18.4
93.07043	16.6
95.04975	3.2
95.08604	15.1
95.09222	0.7
97.06538	2.4
97.10162	3.5
105.07027	16.9
107.04947	1.0
107.08589	10.4
109.06536	1.1
109.10150	7.2
111.08044	1.4
115.05482	0.9
117.06999	11.2
119.08581	14.1
121.06503	0.9
121.10142	6.6
123.08073	0.9
123.11691	1.8
125.09630	1.5
128.06229	3.1
129.07004	14.1
130.07774	2.0
131.08559	19.8
131.09518	1.3
133.06419	0.8
133.10120	10.8
135.08092	1.4
135.11676	3.3
137.09601	1.0
139.11185	0.7
141.06961	4.7
142.07765	3.6
143.08551	16.7
145.10109	17.8
146.69548	0.7
147.11697	5.4
149.09602	1.3
149.13258	2.1
151.11215	1.0
153.07027	1.1
155.08542	9.4
156.09366	2.1
157.10112	15.9
158.10542	0.7
159.11673	11.9
161.09654	1.1
161.13258	2.0
167.08557	4.0
168.09358	1.5
169.10121	10.5
169.34090	0.7
171.11676	13.7
172.12477	0.7
173.09544	0.7
173.13235	7.8
175.11160	1.0
175.14821	0.9
175.44865	0.7
177.12787	0.9
179.08521	1.4
181.10144	5.4
182.11032	0.9
183.11693	13.1
185.13239	9.9
187.14839	2.9
193.10188	1.7
194.10779	0.9
195.11729	5.1
196.12486	0.9
197.13269	6.7
199.14803	5.7
201.16370	1.8
207.01128	0.7
207.11653	1.6
209.13249	4.6
211.14819	5.1
213.16431	2.3
221.13217	2.0
223.14740	3.6
225.16391	2.6
227.18033	1.0
233.13272	0.9
235.14854	2.0
237.16356	1.6
239.18004	1.2
241.19664	1.3
249.16469	1.4
251.17976	2.2
259.20688	1.5
263.17770	1.0
265.19550	1.3
269.19052	1.0
279.20926	1.0
281.18964	0.9
283.20660	2.1
285.21979	0.8
287.19971	1.1
295.20471	0.9
297.22244	2.2
305.22531	0.9
309.22104	2.3
311.23651	2.2
313.21490	1.0
315.23047	1.3
323.20251	0.9
323.23773	1.7
327.23254	1.6
335.23569	0.8
337.25452	0.9
339.23181	1.4
341.24863	1.2
347.23441	1.1
353.24963	1.2
355.26331	0.7
357.23929	0.7
365.24588	0.8
379.26297	1.0
407.33240	1.4
417.31610	5.4
435.32645	19.0
453.33612	8.8
455.81143	0.7
471.34558	3.0
473.33975	1.2
479.11227	0.7
491.35330	0.8
509.36212	9.6
527.37280	100.0
528.37561	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	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15199	0.8
53.03934	2.2
55.01866	2.0
55.05505	12.7
57.03427	2.9
57.07072	1.4
58.17797	0.7
60.41825	0.7
62.76552	0.7
63.69876	0.8
67.05498	26.1
69.03431	0.9
69.07063	8.1
71.04990	1.4
78.10912	0.7
79.05484	18.0
81.03413	10.6
81.07050	21.6
83.04976	2.4
83.08607	7.5
85.06546	0.9
91.05466	16.0
93.07030	16.9
95.04961	5.2
95.08598	13.8
97.06528	2.1
97.10167	3.4
103.05483	0.8
105.04597	0.8
105.07016	15.7
105.07674	1.4
107.04923	1.0
107.08570	9.4
109.10139	7.0
111.08076	2.0
115.05408	1.6
117.07016	9.0
117.61287	0.8
119.08576	12.3
119.09375	1.4
121.10133	7.4
123.08059	2.0
123.11720	1.3
125.09612	2.9
128.06221	3.3
129.07013	10.2
130.07733	1.1
131.08560	16.5
133.10133	8.2
135.11691	4.1
141.06998	4.0
142.07823	3.6
143.08551	13.2
144.09308	0.8
145.06476	0.8
145.10101	11.9
145.47946	1.0
147.11678	3.1
149.09618	1.4
149.13264	1.8
151.63925	0.7
153.06955	1.3
154.07831	0.8
155.08530	9.4
156.09325	1.4
157.10121	15.4
159.11674	9.3
161.13278	2.0
166.07835	1.2
167.08624	3.3
168.09407	1.3
169.10123	10.9
171.11664	12.5
173.13200	5.5
175.11317	1.0
175.14862	1.2
179.08569	1.3
179.22606	0.8
181.10101	4.9
182.10725	0.8
183.11676	8.7
184.12346	1.0
185.13260	7.3
187.14862	2.3
193.10258	1.6
193.12273	4.1
195.11714	4.4
197.13284	7.3
198.97406	1.8
199.14809	4.0
201.16528	1.0
203.01955	1.2
207.11652	1.7
208.12451	0.9
209.13237	4.0
211.14836	4.0
213.16402	2.0
215.14229	0.9
221.13361	1.1
223.14801	2.7
225.16420	2.2
235.14871	1.9
237.16393	1.9
241.19633	1.0
249.16563	1.1
261.22018	1.5
263.17923	1.0
269.18881	1.7
283.20572	1.0
297.22061	1.3
301.25076	0.9
305.22546	0.9
309.22116	1.8
311.23724	1.2
315.23505	1.1
316.79733	0.8
323.23557	1.7
327.23080	1.3
337.25055	1.5
341.24554	1.4
353.24713	1.4
365.24835	1.2
417.31699	3.6
435.32550	15.1
453.33612	8.0
455.33588	0.8
471.34653	2.7
473.34067	1.2
491.35052	1.4
509.36160	7.4
527.37256	100.0
528.37885	3.7
545.41241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
55.01856	1.9
55.05508	12.0
56.43867	0.6
57.03426	2.2
57.07057	0.9
65.03933	0.8
67.05500	21.9
67.05866	1.1
69.03417	1.2
69.06724	0.6
69.07067	9.3
70.27298	0.6
70.27624	2.6
71.04984	1.6
73.69883	0.6
79.05487	17.1
81.03419	3.7
81.07048	24.0
81.66544	0.6
83.04972	2.0
83.08608	6.1
84.22215	0.6
85.06541	1.4
88.23632	0.6
91.04893	0.8
91.05472	16.0
93.07037	17.7
95.04980	4.0
95.08597	13.3
95.09166	1.2
97.06513	2.7
97.10172	3.9
99.08043	0.8
105.07020	14.7
107.08578	10.4
109.06578	1.1
109.10150	5.4
111.08117	1.1
115.05440	1.3
117.07004	9.3
117.42215	0.6
119.08575	12.6
121.06443	0.8
121.10123	7.2
123.08082	1.8
123.11713	1.7
125.09552	1.3
128.06210	2.2
129.06996	8.2
130.07758	1.3
131.08559	14.9
133.10114	9.2
135.08066	1.1
135.11653	3.5
137.09618	1.1
139.11147	1.0
141.06963	2.7
142.07773	2.3
143.08530	12.1
145.10114	16.8
147.08008	1.1
147.11676	5.2
149.09587	1.0
149.13225	3.0
152.84004	0.6
154.07712	1.0
155.08563	5.8
156.09315	1.8
157.10103	12.0
159.11681	11.9
161.13234	1.7
163.11159	0.6
167.08540	2.7
168.09410	0.8
169.10112	9.8
171.11664	11.4
173.13261	8.3
175.11220	1.5
177.05350	1.5
177.12907	0.6
179.08475	0.9
181.10165	3.8
181.12260	0.7
183.11668	8.2
184.12558	0.8
185.13245	8.0
187.14795	3.0
189.11217	0.9
193.10211	1.3
193.12234	1.3
195.11685	3.6
197.13274	6.3
199.14854	4.9
201.16368	1.0
207.11769	0.9
209.13232	2.9
211.14900	2.4
213.16357	2.6
219.11736	0.7
221.13271	1.2
223.14813	2.3
225.16411	1.4
227.17725	0.8
235.14793	1.2
237.16374	0.9
239.17894	1.0
241.19492	1.2
242.20062	0.6
251.17990	0.8
253.15797	0.7
255.17322	0.7
259.20581	2.2
271.20511	0.8
275.20096	0.8
277.19427	0.9
281.19019	0.9
283.20627	1.2
295.20602	0.7
297.22159	2.0
301.21539	0.7
309.22046	1.2
311.23502	1.7
313.21658	1.3
315.23233	1.8
323.23587	0.7
325.25323	1.8
327.23264	1.8
329.24805	1.1
337.25180	0.9
349.25381	0.7
351.26917	0.8
353.24603	0.9
414.55679	0.7
415.27985	0.8
417.31738	3.5
435.32587	14.9
453.33655	6.0
471.34641	5.4
473.34070	1.1
491.35394	1.1
509.36154	7.3
527.37274	100.0
528.37585	2.7
537.32489	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
54.24137	0.7
55.01858	2.0
55.05259	1.1
55.05507	17.2
57.03426	2.9
57.07064	1.2
59.04982	0.7
65.03932	1.2
66.32649	0.6
67.05499	28.5
69.03423	1.3
69.07063	10.1
69.92022	2.7
69.92449	1.3
71.04988	2.3
73.07502	0.8
79.05484	20.6
81.03410	9.8
81.07051	22.7
83.04971	2.0
83.08616	7.4
85.06545	2.0
85.47190	0.7
91.05473	17.4
93.07034	16.8
95.04961	5.0
95.08595	17.6
97.06516	2.3
97.10167	5.9
102.37036	0.7
103.05486	0.7
105.06327	0.6
105.07013	16.0
105.07671	1.3
107.04958	2.0
107.08581	11.6
109.06511	2.1
109.10149	9.0
111.08083	2.1
115.05457	1.9
117.07000	9.8
119.08563	13.1
121.06520	1.3
121.10140	6.8
123.08097	1.0
123.11723	1.4
125.09617	3.7
128.06213	2.7
129.07005	9.8
130.07788	0.8
131.08560	17.0
133.06470	0.9
133.10104	7.5
135.08101	1.2
135.11688	4.9
137.13203	0.7
139.11179	1.1
141.06966	3.3
142.07793	2.6
143.08553	12.4
145.10118	14.4
147.08066	0.8
147.11679	5.3
149.09570	1.7
149.13255	1.8
154.07828	0.9
155.08545	9.1
156.09294	2.2
157.10120	12.5
159.11673	10.0
161.13194	3.3
163.11121	0.8
167.08591	3.0
168.09355	1.0
169.10104	9.8
171.11691	11.0
173.13217	7.2
175.11134	1.4
175.14789	1.5
179.08574	0.9
181.10126	4.3
183.11679	10.4
185.13219	7.1
187.14767	3.8
189.11256	1.9
189.12737	0.7
193.10193	2.0
193.12288	5.5
195.11685	4.6
197.13248	7.9
199.14813	4.6
201.12776	1.0
201.16356	1.4
207.11694	1.4
209.13263	3.5
211.14787	4.0
213.16360	2.2
216.91948	0.7
221.13313	2.0
223.14848	3.1
225.16490	1.7
235.14836	1.6
237.16351	1.3
240.57645	0.8
251.17902	1.1
261.22168	1.7
265.19589	0.9
277.19498	0.8
283.20587	1.3
295.20599	1.0
297.22061	1.1
299.23785	1.3
301.21741	0.8
301.25052	1.7
309.22174	1.2
311.23697	1.8
313.21649	1.0
315.23013	1.2
323.23727	1.8
325.25168	1.0
337.25238	1.5
341.24780	1.7
351.22742	0.9
353.24683	1.2
379.26349	1.0
417.31326	5.8
425.34052	0.8
435.32541	16.8
436.33160	0.9
453.33710	7.9
471.34708	4.3
473.34390	1.5
491.35156	1.8
509.36136	7.5
514.57574	0.8
527.37274	100.0
528.37323	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	527.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.4
55.01863	1.4
55.05511	11.3
56.96571	1.2
57.03428	3.7
57.07070	1.5
59.04975	0.9
61.02919	1.5
65.27740	0.7
67.05499	27.0
69.03422	0.8
69.07066	11.1
69.26743	8.5
71.04982	2.4
79.05488	17.8
81.03411	3.1
81.07048	25.6
83.04993	1.6
83.08593	6.7
85.02901	1.5
85.06544	1.0
91.04903	0.9
91.05475	17.0
92.85538	0.7
93.07034	16.7
95.04972	4.0
95.08601	16.7
97.02887	1.1
97.06540	2.9
97.10174	3.2
98.20679	1.6
99.08083	1.2
105.07027	15.0
107.08596	9.1
108.42530	0.7
109.06538	1.1
109.10153	8.8
111.08067	1.3
115.05439	1.8
117.07002	11.3
119.08563	11.5
121.10157	6.3
123.08053	1.1
123.11719	1.4
125.09602	1.9
128.06244	4.2
129.06993	13.6
130.07747	1.0
131.08562	18.9
133.10101	7.8
135.11708	3.7
137.09628	0.9
141.02295	0.7
141.06958	5.5
142.07793	3.1
143.08546	15.3
143.09680	0.9
144.09319	1.2
145.06529	1.0
145.10110	14.5
147.11684	4.4
149.13266	2.1
151.11220	0.9
152.60249	0.8
153.06941	0.8
154.07755	1.0
155.08562	9.4
156.09395	1.3
157.10118	15.0
157.11282	0.5
159.11661	10.2
161.13332	0.9
167.08582	3.8
169.10133	12.2
170.10844	1.0
171.11673	11.7
173.09654	0.9
173.11835	1.5
173.13213	6.6
175.14738	1.2
179.08580	1.4
181.10101	4.6
183.11681	10.1
185.09685	1.2
185.13228	9.2
187.14841	3.3
189.11223	0.8
193.10138	2.0
193.12291	1.0
194.10945	0.7
195.11646	5.0
197.13269	7.8
199.14821	5.5
200.10764	0.9
201.16379	0.8
207.11716	1.8
209.13243	4.0
211.14830	4.8
213.16431	2.1
221.13310	2.1
223.14847	4.0
224.67703	0.8
225.16422	1.4
235.14908	1.9
237.16368	1.7
241.19675	1.0
249.16466	1.4
251.17831	1.0
259.20587	0.9
265.19458	1.3
269.10992	0.8
277.19470	0.7
283.20694	1.5
293.22879	0.8
295.20572	1.6
297.18689	0.8
297.22281	1.6
309.22293	1.4
311.23727	1.8
315.23279	1.2
323.23694	1.4
325.21692	1.3
325.25281	1.3
327.23184	1.1
337.25375	1.6
341.24890	1.3
351.23041	1.2
371.62729	0.9
407.33344	1.2
415.27972	0.8
417.31693	5.4
435.32584	18.2
436.33072	1.0
453.33755	7.2
471.35052	1.8
473.34122	1.4
491.35214	2.0
509.36249	8.7
510.36343	1.0
527.37311	100.0
528.37622	3.6
543.25562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2978
Annotation	5-Ketomilbemycin A3
Peak:m/z	Relative Intensity
53.03938	1.2
55.01870	0.7
55.05510	4.6
57.03420	1.2
58.36147	0.4
59.56625	0.6
63.27738	0.5
65.03928	0.6
65.74892	0.5
67.05497	10.0
69.07061	4.1
69.51649	2.4
69.52077	1.8
71.04983	0.9
74.71143	0.5
76.73832	0.5
79.05487	10.3
79.05898	0.8
81.03412	13.8
81.07049	10.7
83.05002	1.5
83.08603	3.6
85.06531	0.6
91.05474	8.4
91.05987	0.6
93.07042	10.8
95.04961	5.1
95.08604	7.2
97.06560	0.7
97.10196	1.3
105.07026	6.7
107.04968	1.4
107.08583	3.9
109.06490	0.6
109.10133	2.6
111.08111	1.6
117.07002	3.0
119.08584	5.5
121.06502	0.6
121.10137	3.6
123.11745	0.7
125.09611	0.8
128.06244	1.2
129.06995	3.6
131.08562	5.3
133.10135	3.8
135.11743	1.8
137.09637	0.8
141.06998	1.0
142.07834	1.0
143.08539	3.7
145.10114	3.0
147.11676	3.5
148.30298	0.5
149.09633	1.0
149.13324	1.1
155.08598	1.4
157.10094	2.7
159.11760	1.9
161.13283	0.9
169.10181	1.5
171.11667	2.3
173.13330	1.3
175.11218	1.3
183.11781	1.3
185.13275	1.0
187.14955	0.7
193.12230	4.8
195.11694	0.8
197.13394	0.8
199.14885	0.7
207.12000	0.5
207.13959	1.0
209.13379	1.0
211.14914	0.6
221.13161	0.6
247.13046	9.7
247.15355	0.8
249.14793	1.0
261.22168	0.8
263.56284	0.5
303.15643	10.0
382.15646	0.5
417.32053	1.0
435.32681	2.2
438.21118	1.1
453.33743	1.7
471.34680	1.4
509.36359	1.1
527.29785	100.0
527.37341	21.8
528.30249	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	527.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28706	2.5
53.03945	6.8
55.01870	9.8
55.05508	34.2
56.36782	2.4
56.79237	2.1
57.03433	16.7
61.02925	16.4
65.03924	3.0
67.05500	47.7
69.03429	27.1
69.07064	30.0
71.04994	9.9
71.43060	3.3
71.43396	3.1
73.02915	11.3
75.56133	2.2
79.05495	34.9
81.03419	37.2
81.07053	43.0
83.04975	9.9
83.08601	18.8
85.02895	25.4
85.06521	3.0
85.65751	2.7
87.04474	2.9
91.03941	5.6
91.05476	25.6
93.07037	26.0
95.04977	19.3
95.08592	17.6
97.02882	25.7
97.06524	7.3
97.10159	22.2
99.04475	6.4
101.02395	6.7
105.07026	20.9
107.04940	10.6
107.08600	18.9
109.02885	7.0
109.06533	7.0
109.10162	19.6
111.04433	3.1
111.08097	5.5
117.07024	11.0
119.08593	16.0
121.06530	5.1
121.10143	10.6
123.04487	3.7
123.08083	6.8
123.11701	2.4
125.09634	19.7
127.03916	13.8
129.05443	5.3
129.07010	8.7
131.08575	10.9
133.06567	3.9
133.10117	8.3
135.08043	6.0
135.11726	4.9
137.09621	5.0
143.08548	4.2
145.05026	3.3
145.06508	4.4
145.10132	10.0
147.08040	9.5
147.11668	5.5
149.09575	2.6
151.11182	3.6
157.10135	8.5
158.03601	2.4
159.11729	6.2
161.09680	3.8
163.11235	7.3
165.09076	3.5
173.04350	2.4
173.11760	3.8
175.11205	3.6
177.12680	2.4
189.11179	12.9
193.12280	10.4
195.13795	3.3
205.12251	3.1
211.13309	7.2
223.13329	18.6
227.12793	6.8
229.14311	2.6
245.13683	3.2
249.14912	2.8
263.19815	2.8
273.18503	19.4
283.15463	2.4
291.19537	100.0
292.19910	2.7
301.64386	2.4
333.20435	3.0
347.22186	7.6
365.23117	26.8
527.28479	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
53.06665	2.1
55.01878	4.1
55.05520	16.4
57.03438	11.8
57.07075	4.9
64.84575	2.4
67.05499	52.8
69.03424	3.5
69.07063	15.0
71.01352	5.9
71.04987	10.4
73.02907	9.4
79.05492	51.9
81.03425	6.8
81.07053	47.1
83.04984	3.6
83.08625	11.3
85.02903	23.5
85.06487	3.8
91.05476	46.4
91.05991	2.8
93.07036	60.9
95.01315	13.7
95.04963	9.9
95.08606	32.3
95.09174	4.0
97.02929	3.2
97.06496	4.5
97.10164	5.1
99.08083	4.6
101.02476	2.4
103.03931	3.4
105.07027	39.4
107.04976	5.1
107.08581	39.5
109.06530	5.3
109.10143	22.2
111.08077	4.1
113.02386	5.0
117.07014	10.1
119.08577	38.2
121.10133	29.1
123.08067	3.7
123.11702	3.8
125.09618	4.3
129.07008	11.9
131.03453	3.9
131.08554	21.1
133.06583	3.6
133.10121	34.4
135.08128	2.5
135.11685	28.6
141.01855	11.5
142.29037	2.6
143.08549	9.9
145.10098	15.7
147.04343	5.3
147.08133	3.8
147.11696	29.5
149.09682	2.9
149.13249	19.1
157.06538	3.2
157.10121	7.7
159.11642	16.5
161.13255	21.6
163.11205	7.5
163.14818	5.6
171.08099	2.9
171.11700	11.3
173.11749	6.1
173.13246	8.1
175.14847	9.0
175.35443	2.4
177.12724	5.3
181.12440	3.6
182.80962	2.9
185.13266	10.3
187.14783	2.6
199.14848	5.7
229.14359	2.6
231.21037	5.2
241.19519	30.9
259.20566	64.1
277.21729	11.5
333.24332	10.1
351.25278	100.0
431.29019	2.9
435.24335	3.0
509.27960	4.3
521.46637	3.0
527.29602	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.8
57.07071	49.5
65.03929	2.8
65.14303	2.3
66.66781	2.5
67.05499	89.2
69.07069	21.5
71.04986	60.9
71.08628	32.4
71.59818	2.1
71.60214	3.0
73.24288	2.5
73.80326	2.4
79.05486	18.2
81.03383	3.9
81.07056	37.0
83.04966	9.4
83.08618	15.4
85.06541	3.9
85.10176	15.8
91.05460	20.7
93.07056	19.6
95.04947	4.9
95.08601	35.5
97.06530	5.0
97.10180	7.0
107.08588	11.0
109.10154	67.6
119.08560	16.9
121.10146	6.8
133.10136	3.2
135.11711	20.0
137.09619	31.1
144.00363	2.6
145.10117	6.4
155.10660	6.8
163.11115	5.9
169.12192	7.2
173.11668	3.0
181.12253	8.4
187.13338	2.7
229.59158	3.0
239.23729	10.6
255.15979	4.0
269.17307	2.7
271.15463	5.1
306.98996	2.6
313.27573	2.7
327.29013	2.9
341.26877	6.8
481.38779	38.1
512.59277	2.7
525.41498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50927	10.9
55.05496	13.0
57.51585	11.4
67.05496	31.0
69.07060	33.6
70.93575	28.7
74.98701	12.6
79.05481	27.1
81.07056	100.0
83.08608	15.0
85.02877	43.2
91.80129	10.7
93.07043	22.5
95.08620	97.2
97.10185	23.9
99.08095	13.0
107.08583	50.2
109.10141	86.2
111.11716	14.4
121.10106	36.0
123.11699	62.3
133.10153	13.3
135.11659	32.2
137.05894	11.9
137.13223	26.5
149.13254	48.9
153.12747	11.7
161.13239	13.6
163.14839	31.8
177.16408	27.5
191.17946	16.9
203.17850	11.7
205.19595	14.2
209.18797	13.7
247.24205	19.1
273.25665	28.8
291.26828	64.8
305.35757	12.0
309.28027	14.4
369.66492	12.3
377.01697	38.0
395.02994	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	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	12.7
56.96556	8.5
57.07097	7.7
63.86570	6.5
67.05490	28.3
67.14705	6.0
68.70064	6.4
69.03395	6.4
69.07063	35.3
69.79047	40.2
70.06590	10.2
71.04982	18.3
79.05484	15.8
81.03397	7.3
81.07053	100.0
83.08607	14.5
85.02900	27.5
85.06538	9.2
87.11203	6.8
91.05482	14.2
93.07031	26.6
94.82662	7.4
95.08601	78.8
97.06505	7.2
97.10152	7.5
105.07015	13.2
107.08582	27.2
109.10159	49.1
111.11727	11.6
119.04925	13.0
120.08106	15.5
121.10121	19.4
123.04410	11.6
123.11698	41.1
126.64018	7.0
131.38904	6.7
135.11716	19.8
137.02365	9.0
137.05960	16.4
137.13255	28.1
138.09206	7.6
145.10194	9.0
147.03326	7.0
147.04404	38.8
147.11703	9.2
149.13223	21.2
151.14774	16.9
153.01808	32.0
163.03906	8.8
163.07455	7.8
163.14810	13.7
166.08638	19.8
175.14822	8.6
177.16428	9.6
191.18140	7.1
197.01237	10.5
210.99294	6.5
241.57053	7.2
245.92276	7.3
246.81966	8.0
273.25821	14.7
279.26773	9.7
291.26901	39.1
309.27841	21.6
315.65222	7.0
325.12115	9.4
355.06808	6.7
361.13968	20.7
380.20703	7.6
525.22076	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	525.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	8.9
57.03442	4.0
57.07070	4.8
67.05507	13.2
69.03429	10.9
69.07065	28.6
70.04734	17.5
71.04982	3.8
72.92079	2.8
75.20496	3.2
79.05493	5.9
81.03416	9.6
81.07043	40.3
83.04961	9.4
83.08608	7.5
85.02896	7.6
85.06523	6.6
91.05491	4.7
93.07037	13.1
95.08606	37.0
97.02883	6.2
97.06530	6.4
97.10159	5.4
105.07051	10.0
107.08586	19.8
109.02844	4.3
109.10148	62.8
111.08087	7.1
119.08562	19.3
121.10125	16.1
123.04322	3.2
123.08105	7.7
123.11707	14.6
125.02360	4.9
127.03931	7.2
133.10136	10.6
135.11685	52.8
137.09595	7.9
137.13188	5.0
143.03416	4.9
147.04419	7.7
147.11763	4.1
149.13255	11.0
151.11200	4.7
151.14801	8.2
153.01819	100.0
153.12747	4.7
159.99782	3.5
163.14737	3.2
165.12819	4.1
171.02927	13.5
175.14816	22.8
193.15883	24.2
211.16916	46.7
269.63394	3.1
291.26828	13.7
297.06027	6.0
309.27881	15.0
315.07166	8.1
327.28885	8.0
365.70779	3.7
384.87167	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	525.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.0
57.03433	8.0
57.07071	9.7
60.77352	3.7
64.14272	4.1
67.05491	16.1
69.07067	25.9
70.05951	21.7
71.05000	19.9
72.34151	3.9
79.05483	9.8
81.07053	76.6
83.08611	15.4
85.02893	37.3
85.06519	13.9
91.05455	6.4
93.07056	26.5
95.08596	56.8
97.10162	8.2
98.11848	3.9
98.21458	4.6
99.08081	8.7
100.11240	15.2
105.07024	9.5
107.08566	24.1
109.10146	48.3
111.04465	8.0
111.08063	8.6
111.11703	4.8
119.08606	6.4
121.10150	22.7
123.11716	33.0
125.09599	4.7
129.05440	8.9
135.11676	16.7
137.05991	10.0
137.13234	21.1
147.04459	7.2
149.13210	19.0
161.13248	4.7
163.14824	9.4
165.16345	4.4
167.14360	4.7
177.16399	11.4
182.15434	9.0
191.17903	7.4
203.17958	4.4
205.19443	7.1
209.16612	7.5
210.14920	13.0
261.25690	4.0
273.25803	12.4
279.26831	5.2
291.26752	65.3
296.90640	4.3
303.04980	15.2
309.27872	41.2
340.99765	6.6
359.00977	8.1
361.02173	22.2
376.97055	5.0
377.01788	100.0
379.03293	10.4
395.02872	46.8
400.03262	4.3
525.22809	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01859	2.9
55.05265	1.2
55.05510	20.4
57.03428	3.6
57.07074	1.6
58.46238	1.2
65.03944	1.9
67.05169	2.0
67.05504	28.3
69.07066	14.2
69.49699	8.6
71.04961	1.4
79.05052	1.7
79.05492	23.6
79.05947	1.2
81.03402	2.0
81.07056	26.7
83.04983	4.3
83.08611	9.8
85.06540	2.7
88.33073	1.0
89.23232	1.1
91.05482	21.1
93.07038	16.8
95.04950	3.6
95.08604	18.3
97.06516	3.5
97.10172	6.1
98.20683	1.0
105.07022	18.9
107.04928	1.5
107.08587	9.7
108.24596	1.1
109.06541	1.7
109.10144	7.5
111.00449	0.9
111.08071	2.2
115.02454	1.0
115.05424	2.4
115.07636	1.2
117.07006	9.0
119.08580	14.9
121.10141	4.7
123.08048	1.0
123.11712	1.1
125.09617	3.9
128.06198	6.7
129.07001	17.8
131.08560	17.9
133.06519	1.6
133.10133	9.6
135.08023	2.0
135.11728	3.0
137.09625	1.3
139.11160	1.2
141.06973	9.3
142.07738	5.5
143.08551	23.2
145.06464	1.8
145.10123	12.8
147.11734	5.4
153.07011	2.9
154.07777	4.3
155.08556	23.9
156.09315	3.2
157.10133	21.2
159.08035	1.8
159.11723	12.2
161.09616	1.5
161.13226	1.5
163.11220	1.1
165.07016	3.2
166.07799	2.3
167.08586	10.7
168.09332	3.3
169.10120	28.8
170.11020	1.3
171.08154	1.5
171.11694	17.7
173.09581	1.3
173.13269	4.5
175.11226	1.5
176.03282	1.0
178.07820	1.6
179.08556	5.6
180.09320	2.0
181.10127	16.0
182.10892	2.4
183.11690	24.1
185.13248	10.0
187.14810	2.2
191.08656	2.4
192.09326	1.3
193.10176	7.0
193.71866	1.2
194.10988	2.7
195.11679	17.3
196.12428	2.1
197.13249	15.0
199.14890	5.5
205.10161	2.1
207.11690	6.4
208.12561	1.2
209.13275	15.3
209.15079	1.6
211.14824	6.7
213.12703	1.2
213.14578	1.1
213.16455	1.9
219.11737	2.1
220.12466	1.5
221.13208	5.8
223.14854	6.5
225.16473	2.6
233.13293	3.6
235.14854	4.1
237.16460	4.2
247.14789	2.3
249.16414	2.6
251.18057	1.3
261.16278	1.6
263.17862	1.9
265.19348	2.0
277.19550	1.8
283.17123	1.3
285.18451	1.9
293.19128	1.9
295.20700	2.8
297.22177	1.7
307.20544	2.6
309.21988	2.6
313.21625	2.4
318.56424	1.2
321.22089	5.2
323.23746	1.9
325.21753	2.0
327.23108	1.6
335.23721	3.9
339.23123	3.0
349.24985	1.4
353.24783	3.7
365.24744	2.5
377.24716	1.4
397.28326	1.1
415.29959	10.0
423.32388	1.9
433.31039	30.4
451.32037	14.4
469.33209	5.1
471.32507	1.7
489.33829	2.6
507.34750	17.0
525.35742	100.0
526.36273	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	525.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.5
55.01868	3.7
55.05510	16.6
57.03426	3.0
57.07058	1.4
61.92566	1.1
65.03928	1.8
67.05497	21.3
68.45650	1.0
69.07056	9.3
70.06581	2.2
70.46330	1.1
71.04993	1.4
72.08150	60.7
78.80651	1.0
79.05491	14.9
80.10381	1.0
81.03416	2.6
81.07051	24.3
83.04958	1.7
83.08617	6.4
91.05471	14.7
93.07046	13.5
95.04950	2.1
95.08604	17.1
97.06526	3.0
97.10162	6.0
98.20748	2.0
105.07027	15.2
107.04949	1.4
107.08587	9.0
109.06570	1.5
109.10169	6.8
111.08070	1.9
117.07011	9.0
119.08566	11.0
121.10132	4.7
123.08051	2.1
123.11707	1.1
125.09644	1.9
128.06219	3.7
129.06999	12.6
131.08571	12.0
133.06459	1.5
133.10121	6.6
135.11703	1.3
141.06987	8.1
142.07803	3.8
143.08545	15.2
145.06529	1.7
145.10126	10.8
147.11681	3.6
150.17674	1.0
153.06992	2.9
154.07773	2.9
155.08543	17.8
156.09334	1.6
157.10115	13.8
159.08080	1.5
159.11684	6.2
161.09770	1.1
163.11218	1.4
165.06978	1.8
166.07819	2.9
167.08568	10.2
168.09352	3.3
169.10120	20.4
171.08035	2.0
171.11693	12.8
173.13245	4.8
178.07690	1.1
179.08591	4.4
180.09361	2.4
181.10121	13.4
182.10857	1.6
183.11685	20.1
185.13292	7.6
187.14813	2.2
189.11200	1.1
192.09302	1.3
193.10143	4.7
195.11676	15.6
196.39110	1.0
197.13237	11.9
199.11229	1.8
199.14809	4.3
205.10240	1.7
207.11723	7.1
209.13246	9.4
211.11241	1.5
211.14864	5.5
219.11765	1.7
221.13281	6.8
223.14772	6.4
225.16460	2.4
229.71214	1.3
232.12369	1.5
233.13298	1.6
235.14819	4.9
237.16359	3.5
239.18018	2.4
241.15886	1.2
247.14841	1.7
249.16467	2.5
251.18001	1.4
261.16492	1.8
263.18179	1.3
275.17944	2.0
277.19318	1.5
279.17535	1.7
295.20688	2.3
307.20471	2.1
309.22083	2.7
313.21561	1.8
319.20483	1.3
321.22107	4.3
323.23553	1.3
325.21811	1.8
335.23782	1.8
339.23309	3.6
351.23441	1.1
353.24695	1.9
365.24832	1.9
405.31519	2.2
415.29950	8.8
423.32623	2.0
433.31003	34.2
451.32144	16.6
469.33362	7.3
471.32663	2.0
481.32816	1.3
489.33618	4.2
507.34534	12.1
525.35754	100.0
526.29150	2.6
526.36133	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.5
55.01873	20.8
55.05507	37.4
57.03428	14.0
57.07067	9.3
58.59118	3.9
59.04993	13.5
61.02902	3.5
65.03931	5.8
67.05500	91.0
69.03439	9.0
69.07060	32.4
69.48787	6.8
69.49197	22.0
71.01346	5.4
71.04985	38.5
73.02930	6.0
79.05486	100.0
81.03417	63.1
81.07052	81.9
83.04971	29.4
83.08608	32.2
85.02898	14.1
85.06543	10.9
87.04449	6.0
91.05473	81.5
91.06013	7.7
93.06474	4.5
93.07041	78.0
95.04951	40.3
95.08593	40.6
97.02924	8.5
97.06551	20.3
97.10162	19.9
98.20788	8.2
104.44451	3.9
105.07024	54.1
107.04958	20.7
107.08591	50.0
109.02939	3.9
109.06529	16.6
109.10169	20.3
111.04427	14.7
111.08084	16.1
117.06992	18.5
119.08566	40.8
121.06523	10.1
121.10136	61.7
123.04450	5.7
123.08089	5.1
123.11716	5.5
125.09629	16.1
129.07005	18.5
131.04936	5.5
131.08556	35.9
133.06483	11.1
133.10126	33.9
135.04405	9.7
135.08043	11.4
135.11697	23.5
137.05972	9.6
137.09579	7.0
139.03902	5.5
141.07013	8.4
143.08543	5.5
145.06427	6.2
145.10159	18.8
147.04419	5.3
147.07999	9.8
147.11670	31.6
149.09624	35.8
151.11180	6.7
153.09187	7.8
153.12740	9.8
157.10129	21.3
159.11697	7.3
161.13255	4.2
163.11177	25.5
167.10699	9.2
169.10266	4.1
171.11725	7.0
173.09666	8.2
175.11172	20.7
181.12260	13.3
183.11571	4.8
189.11201	13.1
189.12701	4.9
191.10632	9.9
192.07838	4.7
193.12233	69.4
197.15372	8.9
199.13200	8.3
207.13802	3.7
209.11743	10.3
211.13271	87.1
211.15260	5.7
216.94305	3.7
225.14792	23.8
227.12708	18.1
235.13303	5.8
249.14857	23.2
259.15454	5.6
267.15967	9.0
283.15338	10.4
342.90274	3.6
351.35873	4.3
355.22598	12.9
365.21106	9.4
373.23837	12.0
383.22141	27.4
401.23163	23.5
415.24695	4.7
433.25632	11.7
457.25934	5.6
475.26694	27.0
489.28391	8.9
493.28015	26.0
507.29480	62.2
525.13495	5.3
525.30511	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.6
55.05511	8.7
56.96544	1.8
57.03441	2.7
57.07057	2.4
59.04986	3.5
63.18393	1.2
67.05491	16.8
69.07059	5.4
70.09458	4.5
70.09861	2.4
71.04987	7.0
73.02857	1.4
75.68105	1.4
79.05483	13.4
81.03415	12.2
81.07051	17.9
83.04971	5.0
83.08605	6.6
85.02902	3.7
85.06538	1.9
87.04488	1.7
91.05478	14.4
93.07033	13.6
95.04964	9.3
95.08595	5.6
97.02886	1.9
97.06534	3.4
97.10152	5.0
99.69304	1.3
105.07021	9.4
107.04939	5.4
107.08599	11.8
109.06493	1.8
109.10155	3.6
110.82159	1.7
111.04459	2.6
111.08038	2.0
111.75711	1.2
112.04675	1.2
117.07009	2.3
119.08577	8.5
121.06515	1.4
121.10133	9.3
123.04427	2.7
123.08106	1.8
125.09633	3.3
129.07005	4.8
131.08571	6.5
133.10112	5.9
135.08075	2.1
135.11679	3.9
137.09634	1.7
142.02722	1.3
145.10136	3.8
147.11732	5.8
149.09616	6.1
153.09081	2.5
157.10133	4.1
163.11214	4.3
165.12813	2.1
173.09517	1.4
175.11221	5.5
181.12297	2.9
189.11206	2.8
191.10670	1.7
193.12210	8.8
197.76431	1.2
209.11606	1.6
211.13271	17.7
223.41071	1.2
225.14871	3.6
227.12737	4.3
249.14949	3.1
267.16000	2.6
283.15417	2.2
343.11823	4.0
345.24057	1.7
369.41055	1.7
383.22253	3.9
397.89182	1.3
401.23141	3.6
474.28543	1.6
475.26718	5.4
493.27985	4.1
507.29507	9.9
525.30328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1393
Annotation	Mayoside B
Peak:m/z	Relative Intensity
55.01860	0.6
55.05506	1.5
57.03434	0.6
61.05617	0.4
65.03941	0.6
67.05503	3.0
68.99788	0.7
69.03437	0.5
69.07061	0.6
70.99581	0.9
70.99908	0.6
71.04988	0.5
74.86561	0.4
78.04713	0.6
79.05486	4.1
81.03403	1.0
81.07046	3.0
83.04948	1.1
83.08622	0.6
85.02901	0.6
89.03917	0.5
91.05484	4.4
93.07034	2.6
95.04949	2.3
95.08604	1.4
97.02882	0.7
100.41411	0.5
102.04675	0.8
103.05466	4.8
104.06278	2.3
105.03407	0.8
105.07012	3.0
107.04969	2.4
107.08589	1.2
109.06503	0.5
109.10197	1.0
115.05480	1.6
117.03377	0.9
117.07056	1.0
118.04169	1.7
119.04959	1.6
119.08577	1.2
121.02831	0.9
121.06512	2.4
123.04416	1.1
129.06998	0.6
130.04129	0.9
131.04924	12.7
132.05704	11.0
133.02829	0.6
133.06488	1.8
133.07487	0.4
135.04454	1.1
135.11728	0.6
137.05998	1.5
139.03908	0.6
140.04654	2.4
145.06432	0.8
145.10155	0.5
146.03625	1.9
147.04439	2.5
148.05202	1.0
149.05981	2.1
151.03937	0.9
152.57216	0.4
153.01810	3.5
153.05380	0.5
154.06241	1.5
155.07037	0.5
157.06499	0.5
159.04427	0.8
160.05226	5.0
161.05986	4.7
162.06758	0.9
163.03967	1.1
163.07484	0.6
165.01941	0.5
165.05499	1.7
166.06189	0.6
167.07034	6.6
173.06042	0.6
175.03947	0.5
176.04727	2.1
177.05470	5.5
178.06238	3.1
179.07033	1.0
180.07855	1.9
181.08553	0.8
182.09421	0.7
187.03926	0.7
191.07007	3.6
192.07808	11.4
199.03850	0.9
201.05458	0.9
203.03430	0.7
209.11827	0.7
213.05467	1.0
216.04221	2.1
217.04965	2.1
227.12939	0.6
228.04221	1.4
229.04974	1.9
231.06535	2.3
241.04971	3.8
243.02977	1.1
243.06575	1.1
244.03644	3.6
245.04471	2.7
255.02768	0.5
257.04477	5.8
258.05264	0.5
259.05963	4.9
265.14548	0.5
269.04419	2.1
271.05991	2.5
271.12531	0.6
272.03305	1.3
273.03851	3.5
281.17545	0.7
283.06000	0.6
284.02945	0.5
285.03906	2.9
286.04816	1.4
287.05484	19.5
298.04440	0.7
299.05573	1.2
301.03430	9.4
301.06766	0.9
302.04175	4.2
313.03387	5.2
314.04166	0.9
315.04947	7.8
316.05786	4.6
317.06613	3.6
327.04919	4.4
341.06729	1.1
343.04559	4.3
353.06540	1.9
356.05255	0.6
357.06201	1.7
363.24124	1.0
371.07648	3.1
401.21902	0.5
435.26920	0.9
458.21228	0.6
463.09973	0.6
475.10345	4.5
477.08292	0.8
492.10687	0.8
495.13245	1.6
507.06146	0.9
507.13019	10.1
507.29926	0.7
524.29346	0.7
525.13916	100.0
525.29706	2.8
526.14276	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01001	4.0
53.03942	5.2
55.01868	4.9
55.05511	21.4
57.03443	22.9
57.07077	62.0
61.38375	3.9
67.05502	38.4
69.07072	15.7
69.34916	3.8
70.02066	22.3
71.05000	4.8
71.08628	42.5
79.05484	26.0
81.03417	100.0
81.07056	38.4
81.08646	3.5
83.04959	8.9
83.08608	37.8
85.02915	11.3
85.10171	17.3
87.87169	3.5
91.05487	35.7
93.07037	20.1
95.04965	28.9
95.08608	38.7
97.10177	9.6
105.07035	22.9
107.04957	4.9
109.06528	7.8
109.10161	17.5
111.08079	10.2
113.42014	3.6
119.08588	17.7
121.10128	8.9
123.11692	7.8
129.07008	13.5
131.08572	14.1
133.10143	9.3
137.13332	4.5
145.10086	5.6
147.11659	9.4
149.09628	10.4
157.10172	14.1
160.56267	3.6
175.11154	18.1
184.07156	3.7
185.67963	4.2
193.12231	64.4
201.49738	3.8
211.13278	25.9
215.22287	4.0
239.23662	9.7
244.99495	4.4
249.15031	5.4
267.15906	81.0
313.27350	87.3
337.85431	4.2
505.38989	51.5
523.39990	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.0
53.88088	1.1
55.01863	2.6
55.05513	16.7
57.03437	6.2
57.07075	52.1
63.98587	1.2
64.15850	1.2
67.05505	31.3
67.05863	1.7
69.03429	3.1
69.07063	13.8
69.26208	14.1
71.04989	5.7
71.08630	34.2
71.81449	1.3
79.05489	19.8
79.05914	2.4
81.03416	45.8
81.07052	38.7
83.04974	11.1
83.08616	30.0
85.02901	26.2
85.06536	2.4
85.10178	20.2
91.05479	22.1
93.07043	12.5
95.04969	19.6
95.08598	36.4
97.02888	3.2
97.06496	2.7
97.10170	11.0
105.07025	15.4
107.04967	4.6
107.08586	4.5
109.06522	2.9
109.10156	14.4
111.04470	1.7
111.08067	9.3
113.06024	2.2
117.07018	1.6
119.08579	13.6
121.10188	7.8
123.08115	1.5
123.11728	7.4
125.09680	1.4
125.13342	1.3
129.06966	7.0
131.08569	8.4
133.10130	6.1
133.69534	1.4
139.99283	1.2
142.07759	2.6
147.08032	2.4
147.11688	11.4
149.09659	4.5
157.10104	11.5
165.12805	3.0
175.11169	15.6
193.12241	48.1
211.13290	49.7
211.18626	1.4
239.23721	8.9
267.15976	4.3
289.17062	1.4
313.27420	5.7
340.21494	1.2
456.82169	1.3
505.39206	2.7
523.39935	100.0
524.40308	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
54.20555	1.0
55.01860	1.4
55.05507	13.6
57.03432	6.9
57.07074	39.0
67.05502	23.0
69.03418	2.3
69.06783	0.9
69.07066	12.3
69.34144	7.4
69.34546	2.3
69.37458	1.0
71.04977	3.7
71.08628	27.9
76.57227	0.8
77.59869	0.9
79.05489	14.8
81.03416	30.7
81.07054	33.0
83.04961	6.1
83.08137	1.6
83.08616	24.5
85.02898	18.5
85.10178	16.0
91.05479	16.3
93.07035	9.8
95.04964	15.1
95.08603	27.1
97.02910	2.2
97.06519	3.6
97.10162	8.6
99.08119	1.1
99.11759	0.9
105.07031	12.9
107.04958	2.3
107.08578	5.3
109.06498	3.7
109.10141	12.7
111.08096	6.9
113.05988	2.2
119.08577	11.7
121.06507	1.3
121.10142	4.5
123.11690	6.7
125.09663	1.0
129.07002	6.2
131.08548	6.0
133.10129	5.8
135.11702	1.2
137.13245	2.9
138.51556	1.0
142.07742	1.7
145.10098	1.0
147.08018	1.4
147.11674	9.4
149.09624	4.1
157.10118	7.1
165.12804	1.3
175.11189	10.9
185.13321	1.1
193.10402	1.5
193.12228	43.1
211.13268	45.5
239.23688	8.1
249.14816	1.5
267.15842	6.7
313.27319	6.7
367.40216	1.0
368.09940	1.1
372.23691	1.0
405.84543	1.0
408.74442	1.0
410.90894	1.1
505.38959	2.9
523.39899	100.0
524.40381	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	8.8
53.51248	3.8
55.01858	4.5
55.05502	24.0
57.03429	12.5
57.06820	6.1
57.07073	73.9
67.05499	48.6
69.07066	18.9
70.01440	14.0
70.01849	7.4
71.08636	47.4
77.11585	3.4
79.05484	31.6
81.03410	68.6
81.07050	60.2
81.67633	4.5
83.04979	14.9
83.08615	48.9
85.02891	12.9
85.10178	28.0
85.34708	3.6
91.05462	49.7
91.72484	3.8
93.07027	16.0
95.04963	33.5
95.08597	44.7
97.10161	11.7
99.08096	3.4
105.07012	27.4
107.04943	8.1
107.08579	9.2
109.06502	4.7
109.10136	21.5
111.08072	12.2
113.68279	3.4
119.08553	21.0
121.10145	10.5
123.11695	12.1
129.06987	12.1
131.08551	12.8
133.10107	13.9
137.09521	3.6
142.07784	5.5
147.08008	4.2
147.11678	12.2
149.09628	5.7
157.10077	19.0
175.11160	16.8
182.03551	3.6
193.12234	69.6
211.13309	36.7
239.23624	11.9
267.15939	50.2
313.27292	52.7
499.73050	4.5
505.38916	32.3
523.25818	6.4
523.40039	100.0
537.26929	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01842	1.4
55.05510	15.4
57.03437	5.6
57.07074	40.0
65.03950	1.3
67.05504	24.7
69.03415	2.8
69.07063	12.7
70.73214	2.9
71.04998	3.8
71.08631	27.9
79.05490	15.7
79.65014	0.9
81.03418	35.8
81.07056	30.9
83.04977	6.1
83.08615	26.5
85.02903	18.5
85.06552	2.1
85.10183	15.0
91.05479	21.0
91.06011	1.7
93.06520	1.6
93.07040	11.1
95.04964	15.5
95.08601	26.7
97.02888	1.8
97.06516	1.5
97.10158	7.3
99.08128	1.4
105.07027	12.8
107.04951	3.6
107.08578	5.1
108.61092	0.8
109.06520	2.3
109.10146	12.6
111.04442	1.4
111.08090	6.9
111.11711	1.1
113.06013	1.7
117.07079	1.3
119.08596	9.3
121.06522	1.2
121.10157	4.3
123.08105	1.2
123.11711	5.6
125.09616	1.0
125.13222	1.4
129.07030	4.8
131.08578	6.7
133.06494	1.9
133.10120	4.7
135.08044	1.2
137.13271	2.6
142.07829	1.8
147.08087	2.2
147.11690	8.9
149.09621	5.3
151.14807	0.9
157.10101	6.8
165.12758	1.7
175.11201	11.3
193.12247	45.2
206.57108	0.9
209.09691	0.8
211.13283	45.0
239.23712	7.1
241.67931	0.9
246.57698	1.0
262.65259	0.8
267.15918	6.2
294.93103	1.0
313.27325	6.5
505.38763	3.3
523.39935	100.0
524.40314	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	523.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.4
57.03445	1.8
57.07076	44.9
58.68971	1.4
65.79912	1.2
67.05502	34.8
69.07067	20.0
69.26119	15.7
71.04980	2.0
71.08627	30.5
71.18369	1.4
79.05489	16.3
81.03425	3.7
81.07055	84.6
83.04983	5.8
83.08619	22.4
85.02886	2.1
85.06545	5.0
85.10178	16.9
91.05475	20.5
92.51194	1.4
93.07042	12.1
95.04960	4.6
95.08604	36.4
97.06526	3.5
97.10175	7.9
98.20789	3.2
99.08107	3.7
102.35207	1.4
105.07032	28.7
107.08590	10.3
109.06498	2.7
109.10133	12.3
111.08083	2.1
113.06047	1.8
119.08563	20.7
121.10130	13.4
122.70968	1.5
123.08090	2.9
123.11711	27.9
125.13251	2.0
127.07567	2.3
129.07008	1.7
133.18674	1.3
137.13292	3.9
147.11684	58.6
165.12743	30.2
175.11073	2.9
183.13852	5.2
193.12300	6.3
211.13387	4.3
221.22546	2.2
229.14395	6.1
229.84590	1.5
239.23701	9.6
267.15906	38.2
267.18549	2.8
328.23615	1.4
523.39954	100.0
524.40588	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	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
55.05500	19.6
57.03436	24.2
57.07074	73.7
66.24121	5.0
67.05492	49.2
69.07072	18.2
71.04962	6.4
71.08627	42.8
71.37531	9.8
79.05484	21.9
81.03414	100.0
81.03856	8.5
81.07050	51.5
83.04978	10.8
83.08602	32.7
84.19322	4.0
85.02882	8.9
85.10182	20.6
89.12711	5.1
91.05467	40.4
93.07034	14.6
95.04973	36.3
95.08604	42.9
97.06519	6.1
97.10163	9.5
105.07024	22.4
107.04955	6.5
107.08593	10.0
109.10171	21.2
111.08089	9.2
119.08594	20.5
121.10088	5.0
123.11695	9.7
129.07011	11.4
131.08585	12.4
133.10124	9.7
145.85735	4.9
147.11691	16.8
148.23747	4.4
149.09651	10.2
154.20732	4.3
157.10098	14.6
165.12759	6.5
170.98885	4.6
175.11214	13.3
184.22290	4.1
193.12221	63.3
211.13362	13.1
239.23677	9.8
250.08342	4.7
267.15863	85.9
313.27310	92.2
313.30685	8.1
373.97906	5.8
456.77493	4.7
505.38925	41.4
523.39880	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2879
Annotation	yanuthone G
Peak:m/z	Relative Intensity
55.05499	2.1
67.05491	3.5
70.76210	1.2
71.17413	1.0
79.05480	2.0
81.07042	2.4
86.40091	1.1
89.78246	1.1
91.05454	2.7
93.07025	2.9
98.21451	2.5
103.35191	1.2
105.07020	1.7
107.08591	1.4
119.08606	1.2
361.23468	80.6
362.23602	2.3
379.23120	1.6
523.28711	100.0
524.29016	3.3
539.26514	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01864	3.9
55.95624	1.2
56.96568	1.6
57.03426	3.3
61.02905	1.6
63.88414	1.1
67.05498	2.3
69.03421	13.9
69.22906	1.3
70.06577	1.9
71.04989	3.6
71.36625	2.1
73.02909	2.1
79.05482	5.3
81.03407	17.8
81.07049	1.4
85.02901	17.3
86.09692	1.8
91.05481	13.0
93.07032	3.6
95.04958	10.8
97.02863	7.9
99.04443	2.7
103.03925	3.6
103.05487	6.8
105.07029	6.1
107.04937	8.1
107.08577	1.8
109.02870	6.4
109.06467	1.6
111.04404	2.6
115.05421	2.5
117.06998	3.9
119.04927	10.7
119.08588	2.2
121.06523	3.8
121.71199	1.2
122.03633	4.9
123.04375	1.8
127.03922	9.2
128.06216	1.8
129.06985	4.8
131.04918	16.6
133.06464	5.6
135.04378	2.5
135.08055	1.9
136.05167	2.6
137.05971	100.0
141.06978	4.1
143.04889	1.5
143.08568	2.0
144.05661	2.1
145.04910	2.8
145.06451	4.8
147.03349	2.3
147.04410	21.4
147.08040	4.4
149.05940	10.7
150.06671	1.7
151.03960	1.8
151.07532	56.0
153.01810	4.3
157.06476	6.0
158.07213	2.0
159.04434	1.5
159.08008	1.7
161.05980	16.8
161.09595	3.9
162.06586	1.6
163.07523	23.6
165.05479	1.8
165.06905	1.3
165.09073	5.3
167.07021	6.6
167.08432	2.3
169.06490	3.4
171.04492	1.3
171.08014	5.3
172.05228	1.5
173.05971	2.3
173.09680	1.4
174.06763	4.9
175.07530	21.4
177.00694	1.4
177.05466	12.7
177.09135	7.2
179.05453	1.8
179.07036	30.8
179.08472	1.5
179.10590	3.0
181.06389	2.6
181.08636	3.0
182.53934	1.4
183.08037	2.6
185.09563	1.4
187.07538	5.8
188.08322	2.4
189.05511	1.7
189.09090	16.8
190.06177	1.7
191.07027	11.1
191.10664	1.5
193.08647	6.0
195.08067	3.2
195.10144	5.5
196.88309	1.2
197.05977	1.7
199.07457	2.5
201.05357	1.9
201.09091	7.6
203.07021	8.3
203.10646	3.1
205.08601	3.4
207.06703	1.3
207.10164	17.9
209.08043	2.4
213.09097	3.3
215.06996	5.4
217.08589	4.3
219.10194	3.6
221.07935	2.3
223.07510	1.5
225.11125	5.1
227.07011	1.9
227.10733	2.9
229.08586	7.0
231.10155	5.3
233.08015	1.8
241.08510	2.0
243.10236	1.7
245.08095	3.9
245.11772	3.1
247.09677	3.3
249.11235	6.8
255.09991	2.0
261.11270	1.9
263.09073	2.7
266.08163	2.2
266.58102	1.6
273.11188	11.2
275.08450	1.5
275.12759	5.9
291.12228	10.3
297.11359	2.4
299.12582	2.2
313.11740	4.4
323.11215	3.6
325.14505	2.4
331.15390	2.6
342.12207	1.2
343.15521	6.3
357.96268	1.6
373.13831	2.2
445.15741	2.8
463.58792	1.3
473.15497	2.4
505.18167	2.9
523.19098	3.8
523.26910	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2174
Annotation	(2S,3R)-Dihydrodehydrodiconiferyl alcohol beta-D-glucoside
Peak:m/z	Relative Intensity
50.57618	1.3
53.03932	2.8
55.01849	3.5
56.96556	2.5
57.03433	2.1
67.05481	3.3
69.03431	15.5
70.20058	7.2
71.04996	3.6
73.02882	1.8
73.82931	1.6
79.05479	6.0
81.03418	14.0
81.07047	4.9
83.05001	2.2
85.02898	20.1
87.04418	1.5
91.05473	12.7
93.07037	3.4
95.04977	9.2
95.08608	4.2
96.83349	1.9
97.02882	8.5
99.04440	3.5
103.05460	7.3
105.07009	6.1
107.04966	7.6
107.08592	2.2
109.02860	4.8
109.06492	1.6
109.10168	3.1
111.04443	2.2
111.08054	1.7
113.67219	1.6
115.03915	1.8
115.05450	5.4
117.07004	4.5
119.04929	12.3
119.08565	4.1
121.06520	4.2
122.03665	5.0
123.04442	2.5
127.03902	7.9
128.06157	2.0
129.06992	6.1
131.04926	20.2
133.02831	1.6
133.06465	5.2
135.04399	3.1
137.05974	100.0
138.06332	2.0
141.06998	2.8
142.58635	1.7
143.04916	2.0
143.08548	1.7
145.04974	2.6
145.06488	4.3
147.04413	27.2
147.05537	3.1
147.08026	4.6
149.05945	9.5
151.07532	49.5
153.01831	7.4
155.04890	2.2
157.06508	3.6
159.04407	2.2
159.08031	2.1
160.05247	3.8
161.05954	16.4
161.09616	3.2
162.03157	1.8
162.06731	2.5
163.07549	22.2
165.06979	2.5
165.09081	3.4
167.07031	5.4
167.08412	2.0
169.06480	3.9
171.08029	3.2
174.06802	3.1
175.07559	20.1
175.11015	1.5
176.04697	1.7
177.05467	10.0
177.09102	9.5
179.07031	26.0
179.10632	2.2
181.06476	2.1
185.09560	3.0
187.07532	6.0
188.08113	1.6
189.09084	13.9
191.06989	10.6
191.10576	1.7
193.08580	4.4
195.08214	3.2
195.10248	4.2
199.07545	3.6
201.09111	7.6
203.06998	6.3
203.10632	4.1
205.08569	3.4
207.10130	11.6
209.08084	2.4
215.07021	4.6
217.08607	3.1
219.10229	3.5
221.08009	3.1
222.06863	1.7
225.11238	4.1
229.08586	6.5
231.10129	5.1
235.09726	2.5
237.02846	1.6
245.08073	3.8
245.11632	2.3
247.09567	2.1
249.11189	4.9
255.10127	2.2
261.08835	1.7
261.11276	2.4
263.09116	3.0
267.10370	2.2
272.80713	1.5
273.11185	7.7
275.09189	2.0
275.12808	3.3
285.11304	2.9
287.05420	2.0
291.12305	10.0
297.11069	3.2
315.12640	3.0
323.11353	2.5
325.14349	1.9
343.15347	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	521.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01863	3.5
55.05508	43.0
55.41565	1.6
56.59403	1.5
57.03429	8.5
57.07080	11.5
67.05499	51.2
69.03419	3.3
69.06713	3.0
69.07067	39.8
71.04989	4.9
71.08624	4.0
71.59417	2.2
71.59801	2.5
72.08153	53.3
73.08497	8.6
78.16755	1.7
79.05488	38.8
81.03412	40.9
81.03815	1.7
81.07052	52.0
83.04980	9.7
83.08617	33.1
84.06425	2.1
85.02896	24.3
85.06557	3.2
91.05479	25.0
93.07041	27.6
95.04955	22.2
95.08598	32.8
95.65986	1.6
97.02897	6.0
97.06533	3.8
97.10157	13.8
99.08100	1.5
105.07034	18.9
107.04970	6.2
107.08611	15.4
109.06532	3.9
109.10155	15.1
111.04391	2.4
111.08085	9.7
111.11749	2.7
115.05479	2.0
117.07037	2.7
119.08598	16.6
121.06523	1.8
121.10152	20.8
122.05135	1.6
123.08047	2.1
123.11675	8.7
129.06993	8.8
131.08551	8.9
133.06459	1.7
133.10129	7.4
133.44980	1.7
135.11713	13.0
137.13249	3.9
139.11169	2.4
142.10139	1.6
145.10161	1.9
147.08154	3.1
147.11671	11.0
149.09624	4.1
149.13289	5.9
153.12807	2.9
157.10098	9.1
163.11205	2.2
165.12764	3.2
172.95277	1.6
175.11179	9.9
177.42242	1.6
193.12247	52.2
198.61879	1.8
209.11726	2.1
211.13284	51.1
211.15228	2.6
219.21242	3.5
227.12790	3.7
228.36578	1.8
237.22220	7.0
265.87662	2.2
267.15903	4.3
311.25870	3.4
398.41129	1.7
423.27600	2.2
428.49280	1.8
429.33810	2.9
468.35754	1.8
503.38068	4.2
521.38422	100.0
522.38763	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	521.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	0.8
62.58110	0.6
67.05510	2.9
67.50179	0.6
69.03436	0.6
69.07008	0.8
70.32040	2.3
79.05455	2.2
81.07027	2.4
91.05437	1.3
93.07015	1.9
95.08576	1.3
105.06976	0.8
107.04881	0.9
107.08558	1.2
109.10120	1.7
148.64722	0.6
152.09850	0.6
188.15407	0.6
229.14212	1.0
275.20035	0.9
279.00436	0.6
359.21893	100.0
360.22330	0.9
521.27173	62.0
522.27386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03399	0.8
62.58110	0.6
67.05510	2.9
67.50179	0.6
69.03436	0.6
69.07008	0.8
70.32040	2.3
79.05455	2.2
81.07027	2.4
91.05437	1.3
93.07015	1.9
95.08576	1.3
105.06976	0.8
107.04881	0.9
107.08558	1.2
109.10120	1.7
148.64722	0.6
152.09850	0.6
188.15407	0.6
229.14212	1.0
275.20035	0.9
279.00436	0.6
359.21893	100.0
360.22330	0.9
521.27173	62.0
522.27386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.7
55.01867	3.6
55.05510	34.4
57.03430	8.4
57.07072	8.8
58.18525	1.0
62.62954	0.9
65.03941	1.2
67.05499	41.8
69.03422	2.4
69.07065	38.8
69.67599	3.3
69.68008	3.7
71.04992	2.1
71.08625	6.2
79.05491	29.5
81.03415	40.8
81.07053	49.0
82.06541	1.1
83.04977	9.6
83.08614	41.6
85.02903	22.1
85.03422	1.5
85.06556	1.9
85.10188	2.7
91.05475	21.0
93.07042	24.9
95.04967	20.3
95.08597	31.4
97.02886	2.4
97.06516	4.5
97.10162	17.8
105.07021	15.6
105.36163	1.1
107.04955	6.2
107.08588	13.8
109.06504	4.0
109.10156	9.8
111.04453	2.9
111.08072	9.9
111.11705	4.0
113.05967	1.4
117.06980	2.2
119.08562	11.7
121.06557	1.2
121.10139	20.0
123.08069	1.6
123.11683	5.2
125.09605	1.4
129.06995	6.6
130.70335	1.0
131.08557	6.6
133.06461	1.6
133.10138	5.2
135.11681	11.3
137.13222	2.9
142.07790	1.8
145.10127	2.5
147.08038	2.4
147.11681	10.5
149.09618	2.6
149.13263	2.4
157.10114	7.8
163.11182	2.5
163.14861	1.3
175.11169	10.9
193.12239	42.8
209.11734	3.7
211.13278	41.4
211.15248	2.2
219.21043	1.7
227.12901	2.0
237.22137	9.1
249.14769	1.3
267.15942	4.4
299.87195	1.1
304.08112	1.2
311.25864	3.4
429.33389	1.3
440.07455	1.0
486.81018	1.4
489.63242	1.4
503.37170	4.3
521.38361	100.0
522.38489	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	521.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69154	1.5
57.03454	1.3
59.46571	1.4
65.24806	1.5
69.03421	4.0
70.06558	2.1
71.59662	1.7
79.05520	1.4
81.07041	1.9
85.02905	7.1
86.09677	3.1
91.05461	7.9
94.04166	2.6
97.02877	3.0
98.97565	1.6
100.16738	1.5
103.05448	5.9
105.07043	3.7
105.54031	1.4
107.04959	1.6
109.06490	6.0
115.05460	7.3
119.04951	2.6
121.06466	2.3
122.03617	2.7
123.04449	1.8
127.03841	2.3
131.04982	7.9
133.06465	6.2
135.08009	1.8
137.05971	83.1
141.06880	1.8
143.04881	6.5
145.04881	2.0
145.06438	1.8
146.03569	3.5
147.04387	5.1
149.05951	8.6
151.03871	2.5
151.07538	1.8
153.01813	2.1
153.05496	1.6
160.05180	1.8
161.05980	37.8
162.06752	5.6
163.07532	10.0
165.05740	1.6
165.06953	6.9
166.07669	2.5
167.07169	1.9
173.05936	1.7
175.07559	12.5
177.05432	1.7
178.07751	3.8
179.07045	3.3
179.08542	7.0
181.06389	2.0
187.07558	9.3
189.06990	2.6
190.07706	5.9
191.08553	19.1
193.06595	2.5
194.07269	13.8
199.07494	3.4
202.07777	1.9
203.08563	3.0
205.06541	8.2
205.08170	1.5
207.08116	9.1
208.08846	4.5
209.09708	3.1
210.06825	1.6
211.07451	1.7
218.07227	7.7
219.08034	33.6
220.08734	8.1
221.05994	6.5
221.09581	2.5
222.06772	11.8
223.07562	2.1
224.08296	1.7
231.08067	5.1
233.06044	3.8
234.06645	1.9
235.07509	8.8
236.08397	9.6
237.09116	16.3
239.10645	8.1
247.07559	24.0
248.08380	8.4
249.09108	2.8
250.06258	2.8
250.09795	1.9
251.10684	19.0
253.08563	4.5
254.09547	1.4
259.07678	2.3
261.09106	4.3
261.39374	1.7
263.10693	2.5
264.07779	9.6
265.05872	2.8
265.08606	42.9
267.10266	7.0
267.72125	1.4
269.07983	1.9
277.08682	2.8
279.10141	59.6
280.10828	3.9
281.08237	2.9
285.11115	3.4
291.10104	8.4
295.09708	15.1
296.10355	4.9
297.11185	46.6
299.12729	30.1
309.11133	9.6
310.11945	13.0
311.09125	3.0
311.12759	73.1
323.12827	11.3
329.13809	16.2
341.13821	100.0
359.14795	10.4
383.09290	1.5
521.17010	3.5
521.24615	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	520.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.2
55.05496	0.5
56.05036	0.9
57.03436	0.2
57.05807	0.8
67.05501	2.0
69.07071	0.4
70.06251	0.3
70.06596	3.1
70.06937	0.4
71.08627	1.5
72.08153	100.0
73.08493	0.5
79.05492	1.3
81.07058	1.6
83.04996	0.4
83.08628	0.5
85.02897	0.3
90.09197	3.5
91.05435	1.2
93.07034	1.3
95.04973	0.4
95.08602	1.2
97.06557	0.4
97.10144	0.2
99.08096	0.9
105.07034	0.8
107.08607	0.9
109.06538	0.3
109.10168	0.7
114.20729	0.2
119.08595	0.8
121.10165	0.6
131.08571	0.2
133.10088	0.5
135.11700	0.5
145.10139	0.3
146.43347	0.2
147.11687	0.2
149.13271	0.4
151.11200	0.4
161.13313	0.4
163.11198	0.3
170.05844	0.7
179.14308	2.2
191.75845	0.2
237.31927	0.2
244.09485	0.4
277.21613	1.9
351.21036	0.3
351.25256	5.2
502.29425	0.7
520.30176	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.293
Annotation	Segetalin G
Peak:m/z	Relative Intensity
55.01854	1.3
55.05490	3.6
57.03410	2.6
59.05001	0.9
61.02912	0.9
67.05504	13.3
69.03430	0.9
69.07052	2.8
69.82729	1.0
79.05485	5.5
79.91714	0.8
81.03398	2.2
81.07053	9.0
83.04956	0.9
83.08598	1.1
85.02879	1.8
85.06541	1.3
89.03905	1.2
91.05462	6.3
93.07030	6.6
95.04940	3.7
95.08582	4.0
97.02874	1.2
97.06488	1.1
97.10148	1.1
105.07027	4.9
107.04870	1.2
107.08620	4.5
108.07838	0.9
109.06485	2.7
109.10149	5.9
111.08030	0.8
113.05990	1.1
117.03342	1.7
117.06962	1.5
117.48142	0.9
119.08562	3.5
121.10126	2.8
131.08563	2.0
133.10106	3.4
135.08017	1.3
135.11621	1.5
145.02831	4.5
145.10112	1.2
149.13327	1.1
167.05524	0.9
173.11635	1.2
177.05466	9.5
181.02704	1.0
183.08075	0.8
187.02791	1.0
229.14340	1.0
235.13045	3.1
251.12535	3.8
273.18524	2.6
283.03070	1.1
291.15613	4.7
291.19522	5.9
307.15240	2.6
347.15198	1.2
364.14853	1.5
365.15988	1.9
479.35278	0.9
513.67456	0.9
519.29132	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	520.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81029	0.2
53.85765	0.2
56.96566	3.9
67.93517	0.2
69.03411	0.4
69.65964	1.2
71.95232	0.3
74.97581	0.5
78.90073	0.2
79.01842	0.2
81.03407	0.4
84.96006	0.7
85.02898	0.3
95.04938	0.4
97.02836	0.2
104.04932	0.3
105.03373	0.5
105.94064	0.2
123.04369	0.2
125.02365	0.3
127.03923	0.3
131.01744	0.3
132.04492	0.4
132.98038	0.4
143.03398	0.5
147.04391	0.6
150.05524	1.1
150.99155	1.6
153.01826	6.2
153.02853	0.3
160.03979	0.6
169.00163	0.7
169.01523	0.3
177.02243	2.0
178.04988	82.0
179.05341	1.0
187.02812	0.3
195.03273	2.3
196.03653	1.2
206.04477	100.0
207.03310	0.2
207.04839	1.7
239.02371	1.0
240.02603	0.5
253.03903	0.3
254.04272	0.3
258.03635	0.3
279.01758	0.7
280.02133	1.1
297.02817	1.6
297.06171	0.5
298.03137	1.2
298.08548	0.3
312.04752	0.3
315.03836	0.7
315.07159	0.2
316.04297	0.4
368.05319	0.3
368.09708	4.7
382.07184	0.2
386.06192	0.4
458.11078	0.2
466.11746	0.2
466.18155	0.2
520.10822	7.4
521.09406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.3
53.49186	0.8
55.01857	1.1
55.05510	6.4
56.96569	1.0
57.03415	3.0
57.07056	1.0
67.05166	1.3
67.05497	18.2
69.03390	1.3
69.07059	6.1
69.48591	2.1
69.48997	5.3
70.06576	2.6
71.04987	1.8
71.08627	17.0
72.08150	100.0
76.48648	0.9
79.05488	13.7
81.03419	2.6
81.07047	14.9
83.04963	2.8
83.08638	4.1
83.09063	0.8
90.09220	1.5
91.05471	10.4
93.06471	1.3
93.07037	18.2
95.04961	4.2
95.08606	11.1
97.06506	3.3
97.10151	1.9
98.21000	3.3
99.08086	10.5
105.07033	8.5
107.04910	2.5
107.08588	11.3
109.06541	1.8
109.10159	4.6
111.08054	1.2
111.52756	0.9
113.09609	1.4
117.07021	2.2
119.08578	6.0
121.10129	7.3
129.07101	1.4
131.08546	1.7
133.10118	5.2
135.11694	9.3
145.10149	2.4
147.11711	2.1
149.13243	2.2
151.11165	4.3
153.12741	1.1
159.11684	1.4
161.13239	4.3
163.11189	2.6
170.05753	18.8
171.11607	1.2
175.11188	1.0
177.12604	1.1
179.14302	29.8
185.13278	1.5
189.12801	1.1
221.15198	1.1
235.16884	1.9
259.20581	1.4
277.21619	18.5
333.24194	1.2
351.25275	66.9
352.25281	1.0
509.71945	1.0
520.32751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00447	0.4
56.96566	1.0
57.03423	0.9
69.03418	1.0
70.05788	2.2
70.06565	0.4
71.04996	3.1
79.05533	0.4
80.13038	0.3
81.03409	0.6
81.80371	0.4
85.02911	3.6
87.04464	1.1
93.07010	0.6
97.02873	1.1
98.20762	0.4
105.07002	0.8
107.04967	0.5
110.90023	0.5
110.97488	0.5
113.28497	0.4
115.03909	0.5
119.07015	0.4
119.08619	0.5
127.03923	0.5
128.44893	0.4
131.04922	0.8
137.05972	2.8
141.05246	0.5
147.04454	1.2
153.01826	0.7
160.66113	0.5
161.05974	0.6
175.07489	0.7
187.07564	0.8
194.09186	0.4
259.07858	1.2
264.62357	0.4
283.15186	0.8
287.05396	2.1
357.18781	2.5
361.02255	1.6
377.01825	2.2
379.33737	0.4
382.98151	0.5
395.02863	1.3
459.22192	1.1
459.28351	0.4
487.21515	1.2
519.24158	100.0
520.24207	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	519.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	100.0
58.34706	0.8
60.61247	0.7
70.08276	4.5
71.95251	3.4
74.97598	16.4
74.97985	1.4
84.96029	12.4
86.97604	3.8
92.98642	2.2
97.36816	0.8
97.96806	2.4
98.97589	3.0
102.97063	2.5
104.98617	0.9
114.97079	3.7
115.97823	1.9
116.98631	2.1
132.98070	11.6
132.98839	1.0
150.99138	41.9
151.00551	2.8
152.01480	1.5
159.01094	0.8
160.34052	0.9
169.00198	17.7
169.01740	10.7
170.02560	2.4
174.00690	1.3
177.02231	89.3
179.00076	1.0
180.00987	0.9
181.01837	1.1
187.02750	12.7
189.02246	1.9
191.03862	1.2
195.03287	97.9
197.01237	3.0
203.00233	2.7
205.03902	1.2
207.03259	10.1
208.99670	7.3
211.02730	5.0
213.04382	3.5
218.04861	1.9
221.01213	8.6
223.02805	2.6
225.04326	6.4
227.00674	1.6
229.03824	6.9
235.02747	10.8
239.02272	35.5
241.03877	2.5
251.02275	3.0
253.03842	16.6
257.03287	9.4
266.14978	0.9
267.06918	2.7
269.03317	2.5
269.08591	1.5
271.04797	5.1
279.01746	40.4
279.06674	1.6
281.03314	1.5
285.07910	5.5
293.03256	6.4
297.02811	73.4
299.06100	0.9
307.06274	3.1
311.04398	4.9
315.03842	33.7
320.04456	4.5
325.07492	4.0
353.07001	1.1
355.03366	13.3
367.04941	14.2
369.06561	1.7
371.07990	1.4
381.06418	8.6
385.05914	14.4
399.07413	4.5
403.07092	3.8
443.06543	8.8
457.08655	1.0
461.07916	1.9
519.07697	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	517.3889
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.34287	1.1
53.03925	1.3
53.31716	1.2
55.01879	1.8
55.05508	13.9
57.03428	4.7
57.07076	2.3
65.03956	1.4
67.05167	1.7
67.05501	25.5
69.07063	12.5
70.17482	1.1
71.04980	2.3
72.67941	1.2
74.40160	1.2
79.05487	19.6
81.07051	29.8
83.04999	2.0
83.08615	6.3
91.05479	16.4
93.07040	20.8
95.04999	2.0
95.08603	24.7
97.10161	2.2
100.08101	1.1
105.07033	18.1
107.08581	13.5
109.10162	8.8
117.07032	4.8
119.08569	19.5
121.10141	12.6
123.11718	2.9
129.06981	2.6
131.08559	14.1
132.08795	1.4
133.10117	15.2
135.11671	6.7
143.08559	3.8
145.10127	12.8
147.11671	11.1
149.13260	4.6
152.92236	1.2
157.10153	4.1
159.11687	10.2
161.13263	4.4
163.11224	1.2
163.14813	2.2
167.08600	1.4
169.10187	2.2
171.11754	4.3
173.13237	5.7
175.14835	3.7
182.26448	1.5
183.11665	2.2
185.13280	2.8
187.14937	2.6
195.11717	1.5
197.13168	2.0
199.14883	3.2
201.16472	1.5
213.16486	1.6
217.15776	1.7
259.20615	1.6
273.22235	1.5
281.50000	1.4
287.23868	1.4
301.25281	1.6
313.25162	1.6
327.26730	1.4
333.24448	1.4
338.63739	1.4
387.71301	1.3
407.28262	1.5
407.33087	4.7
425.34122	11.3
443.35449	2.3
499.37744	14.0
517.38373	100.0
518.38678	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	519.066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96495	2.2
54.83849	3.0
56.96562	100.0
56.96841	5.6
57.03430	4.4
58.66717	2.7
68.39612	2.4
69.03426	10.5
70.98122	7.1
71.32252	4.6
71.95264	3.4
73.02910	5.4
74.97601	14.2
77.00883	2.9
81.03427	3.8
84.96023	16.0
85.02896	13.2
86.97648	2.8
88.99147	5.6
97.02900	8.2
98.97575	63.2
101.00899	2.6
101.40305	2.3
106.08669	6.0
107.04967	7.5
110.97565	5.3
116.98621	38.8
119.01930	10.5
121.01656	5.7
124.95483	6.9
127.03892	5.9
128.98624	8.3
130.30605	2.5
131.00124	2.5
131.01895	3.4
132.98065	18.2
133.74078	2.5
134.99666	19.2
140.02231	2.8
142.96501	19.0
144.99812	3.0
145.04907	4.1
146.99648	11.4
149.02917	5.3
150.99129	48.4
153.01836	5.3
153.03069	3.5
156.98094	3.2
158.99637	9.7
160.97598	14.4
161.01230	7.9
161.02834	5.4
162.99173	5.2
163.02631	2.8
164.01500	3.0
165.00708	11.0
165.02055	2.9
169.00243	21.3
170.96054	5.5
170.99606	2.8
172.97633	6.1
173.02991	4.2
174.99130	17.8
177.00723	9.7
177.02554	5.8
177.04189	11.8
179.02290	3.7
181.01700	3.6
182.99678	4.5
183.03279	5.8
184.97630	2.6
185.01222	3.8
186.04691	23.4
186.99135	8.4
187.02821	3.5
188.97034	33.9
189.00777	4.8
190.98674	17.2
191.02271	3.5
191.03871	5.1
193.00188	36.0
193.01768	32.2
197.01213	4.8
197.04797	8.8
199.04601	3.0
200.04410	4.8
200.97061	12.1
201.00656	3.2
201.04352	10.0
202.98636	9.0
203.00481	3.5
203.02296	7.4
205.00208	20.0
205.01831	4.2
206.98138	29.5
207.01707	5.2
209.03177	3.9
211.01140	2.8
211.02809	51.9
214.98639	4.9
217.00217	4.1
218.98094	14.8
219.01802	9.6
220.99661	14.6
222.99174	5.0
223.01018	5.1
223.02814	9.0
223.04765	3.3
225.04276	3.8
227.02223	3.4
228.96541	6.6
231.00009	3.4
232.99608	16.3
237.00803	3.9
237.02827	9.3
239.00723	4.7
241.03850	8.9
244.99628	4.2
245.03348	8.7
246.97653	28.6
251.02293	9.1
255.01738	45.0
258.06799	11.0
259.04861	2.9
260.99115	8.4
263.00821	8.2
264.98602	7.1
265.02390	5.6
267.07266	33.9
267.57559	6.1
269.03336	10.9
272.06488	5.4
273.02802	24.1
279.00079	26.1
281.01831	7.9
281.05139	5.2
281.07202	3.2
283.04733	3.1
287.04486	4.0
292.12854	2.5
293.02878	2.9
295.01361	6.0
297.02844	5.0
313.02386	16.2
314.16617	3.0
315.03906	4.0
323.00967	4.9
323.04526	4.6
331.03284	6.2
337.02225	14.2
339.02344	3.6
348.09891	7.5
351.00150	14.1
355.03299	25.3
365.01773	30.0
367.03455	5.8
369.05377	4.1
373.04401	3.8
379.03537	8.3
383.02701	45.0
401.04132	5.6
413.04016	13.3
425.03955	11.7
427.05762	14.1
429.07300	3.1
434.26071	3.0
441.03384	31.5
443.04428	6.2
459.04489	8.0
501.05228	4.0
519.10504	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	517.3885
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.17829	0.9
53.03945	2.2
55.01865	2.6
55.05507	18.0
57.03442	4.6
57.07091	1.5
65.03947	1.7
67.05503	33.5
69.03410	1.1
69.07067	15.2
71.05006	1.3
71.11398	1.4
71.11747	1.9
79.05492	27.3
81.07056	39.7
83.08620	8.8
85.06539	2.7
91.05476	22.4
93.07042	34.3
95.04984	2.6
95.08608	29.9
95.09221	1.0
97.06548	3.4
97.10159	5.7
97.86730	1.0
99.08146	1.4
103.05482	1.2
105.07024	28.4
107.08588	20.4
109.06512	2.4
109.10151	13.2
111.08083	2.3
117.07007	8.6
119.08582	25.1
121.10146	17.0
123.08080	1.3
123.11720	5.4
125.09628	1.1
129.07033	4.6
131.08560	17.3
133.10127	20.9
135.08090	2.0
135.11670	8.0
135.12376	0.8
137.13272	1.8
143.08569	7.3
145.10126	18.9
147.11681	13.9
149.09631	1.4
149.13260	5.5
155.08611	2.6
157.10106	7.7
159.11700	13.8
161.13243	10.6
163.14897	2.8
165.12804	1.3
169.10205	3.5
171.11684	7.6
173.13255	9.3
175.14842	4.3
177.12827	1.4
177.16386	2.7
183.11734	2.9
185.13223	7.1
187.14769	5.0
189.16406	2.3
195.11731	1.6
197.13353	2.6
199.14888	4.6
201.16435	2.7
205.15981	1.4
211.14917	1.9
213.16418	2.8
217.15826	1.1
219.17529	1.3
221.13354	1.0
229.19508	1.3
241.17923	1.6
245.18922	1.1
259.20645	3.9
263.20282	1.3
273.22183	2.4
275.20050	1.2
285.22168	2.4
287.23694	2.5
299.23895	2.8
303.23218	1.3
313.25262	1.7
327.26901	2.0
329.24548	1.2
331.26450	1.3
333.24283	1.7
343.26642	1.3
405.30179	1.8
407.28583	1.3
407.33121	5.4
419.31326	1.6
425.34213	12.2
443.35455	6.9
461.36386	1.5
499.38080	19.4
517.38916	100.0
518.39014	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	517.3889
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.82421	1.1
53.03942	1.9
55.01854	1.5
55.05511	17.7
57.03430	6.4
57.07064	2.5
65.03925	1.9
65.63321	1.2
67.05501	36.4
69.07065	18.5
71.04965	2.5
71.59941	1.8
73.06573	1.1
79.05488	24.2
81.06577	2.6
81.07051	43.1
83.05002	2.0
83.08611	9.7
85.06539	2.8
91.05476	23.6
93.07041	32.0
95.04973	5.5
95.08601	27.0
97.06552	4.5
97.09592	1.3
97.10168	5.3
105.07024	25.4
107.08586	20.1
109.06551	2.5
109.10152	16.1
111.08066	2.5
117.07015	8.2
119.08577	23.5
121.06533	1.9
121.10134	16.4
123.08107	1.6
123.11720	4.0
125.09635	1.3
128.06198	1.3
129.07022	3.3
131.08568	17.4
133.10126	19.1
135.11713	9.6
143.08548	6.7
145.10118	18.3
145.33253	1.8
145.46870	1.2
147.11691	14.3
149.13269	4.8
155.08583	2.6
157.10153	5.7
159.11705	13.0
161.09685	1.6
161.13274	6.6
163.14864	2.2
169.10123	3.9
171.11609	6.9
173.13225	11.2
175.14882	4.0
178.68895	1.2
183.11713	4.3
185.11841	1.5
185.13142	6.5
187.14803	6.5
189.16412	1.3
191.14439	1.8
197.13274	2.3
199.14882	4.0
201.16367	2.3
211.14838	1.9
213.16460	2.3
215.18063	2.4
227.18173	1.5
227.45709	1.9
241.17863	3.3
245.19112	1.4
259.20609	4.6
273.21967	2.1
275.20233	2.7
278.92767	1.2
285.22159	2.1
299.23914	1.5
333.24356	1.8
407.33401	4.0
425.34201	14.7
443.35379	5.4
499.37842	18.8
517.38953	100.0
518.39081	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3888
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
51.94920	1.0
53.03944	2.9
55.01874	2.7
55.05511	10.8
57.03440	5.6
57.07067	2.0
65.03930	1.5
67.05502	31.3
69.07067	15.1
69.27720	2.3
69.28140	11.6
71.04979	1.9
79.05489	21.2
81.06568	2.0
81.07055	32.8
83.04990	1.7
83.08630	10.5
91.04955	2.0
91.05482	22.3
93.07043	28.6
95.04970	3.4
95.08604	30.8
97.06540	3.8
97.10166	3.8
105.07027	27.0
107.08591	19.5
109.06506	2.5
109.10152	12.0
111.08082	1.8
117.07000	7.8
119.08578	23.9
121.10147	15.4
123.11703	3.7
129.07033	4.7
131.08572	17.2
133.10124	21.4
135.11690	9.7
137.13211	1.6
141.07025	1.3
143.08545	6.6
145.10124	17.0
147.11679	12.5
149.09633	2.2
149.13216	6.6
155.08533	1.4
157.10139	6.8
159.11687	13.1
159.77968	1.2
161.13257	6.6
163.11113	1.7
169.10153	2.9
171.11757	5.8
173.13283	6.9
175.14841	3.4
183.11778	2.5
185.13266	5.3
187.14841	5.5
189.16484	1.6
197.13316	2.6
199.14790	2.9
201.16440	3.4
202.72974	1.3
211.14793	1.7
232.13872	1.2
241.18073	3.5
259.20578	3.3
273.22229	1.8
287.23737	1.5
299.20004	1.2
299.23700	2.6
303.23090	1.7
313.25098	1.3
317.24680	1.6
333.24380	1.6
345.28082	1.6
391.28677	1.8
405.30179	1.5
407.28177	1.5
407.33090	5.0
425.34167	14.0
443.35147	4.7
447.31500	1.2
461.36496	2.3
499.37885	16.9
517.38849	100.0
518.39142	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	517.3887
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03951	3.1
55.05513	13.7
57.03427	6.2
57.07069	2.0
66.93201	1.9
67.05503	33.0
69.07055	14.2
69.28625	9.7
69.29047	13.9
79.05488	23.3
81.07056	37.7
83.08618	9.2
85.06547	2.7
91.05475	17.1
93.07051	26.4
95.04958	3.3
95.08600	28.8
97.10190	4.0
105.07020	20.8
107.08601	19.5
109.10154	13.8
116.33382	1.9
117.07051	7.2
119.08579	24.3
121.10129	18.3
123.11678	4.5
129.07062	3.3
131.08578	14.4
133.10136	18.0
135.08090	3.2
135.11687	9.8
137.56691	2.3
143.08566	4.4
145.10110	17.0
147.11681	14.1
147.93861	2.3
149.13248	7.0
150.24866	2.0
157.10126	2.8
159.07959	1.9
159.11734	11.2
161.13274	6.5
164.03395	2.0
169.10179	3.1
171.11746	6.9
173.13307	9.2
175.14757	3.4
177.30353	2.0
182.43135	2.3
183.11705	2.9
185.13269	3.5
187.14804	4.3
199.14886	3.3
201.16507	2.5
219.42484	2.1
241.17746	2.5
278.93301	2.3
289.21310	2.5
338.32504	2.5
407.27963	2.7
407.32990	5.2
425.33887	10.0
443.35220	6.8
499.37833	14.6
517.38861	100.0
518.39032	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	517.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17781	3.7
56.96557	8.4
58.06591	4.7
58.99865	12.6
62.26215	3.8
69.52111	3.4
70.99851	3.8
71.04983	4.0
71.59193	7.3
74.40849	4.4
77.00909	32.1
77.13606	3.8
85.02893	8.7
86.99288	3.2
89.00887	10.8
91.05454	4.0
91.67722	3.1
95.01938	13.5
97.02905	5.6
98.97600	9.1
101.00854	17.0
103.02399	4.9
105.00319	4.5
107.01949	4.6
107.04924	18.9
113.00871	3.9
115.02429	12.9
116.98597	3.7
118.40035	3.4
119.01906	78.8
126.98794	3.6
128.39386	3.4
131.01900	27.6
133.03462	30.6
133.50789	3.3
135.01410	21.0
135.05099	3.6
137.02953	13.0
143.01898	20.9
144.99808	19.9
145.03447	14.8
146.46843	3.4
147.01430	12.1
149.02966	27.6
151.04489	7.7
153.02486	17.6
155.01912	10.2
157.03430	4.1
159.01414	12.5
159.05042	14.0
161.01758	5.4
161.02933	28.7
163.00800	5.6
163.04430	5.3
165.03935	7.1
167.04044	5.0
168.99809	20.0
171.01305	8.9
171.05040	14.8
172.99347	16.5
173.02965	23.1
173.06583	5.6
175.00914	6.1
177.00989	4.8
177.02446	24.3
177.03880	5.1
177.06032	7.2
181.03470	4.9
183.05080	9.6
183.58253	4.5
184.99323	23.1
185.02914	3.7
185.06593	13.2
187.00891	38.9
189.02458	25.3
189.06107	12.0
191.00349	15.5
191.03937	8.7
195.03564	3.3
195.05025	82.9
196.99234	5.5
199.00925	7.9
199.04428	4.3
201.02473	5.5
201.06079	8.2
203.00339	38.3
203.03984	8.0
205.01927	37.1
207.03477	14.1
207.05052	15.7
209.06651	6.4
209.37190	3.7
211.04555	8.0
212.98808	12.4
213.06050	29.8
215.00301	40.0
217.01886	15.9
219.05171	7.3
221.05066	28.8
223.02831	9.6
223.04703	7.9
225.06093	25.2
229.01961	6.1
229.05582	7.1
230.99844	81.8
231.03381	4.6
235.04536	15.0
237.02718	5.7
237.06100	7.0
239.03976	3.9
243.07159	22.1
245.01437	16.3
247.02989	28.5
249.05992	9.6
251.03987	10.6
253.05516	40.4
254.01471	4.7
257.05115	4.4
261.08209	22.1
263.02365	65.7
267.07037	21.3
269.05054	8.4
271.06601	24.4
273.02435	4.0
277.05780	4.6
279.09265	37.6
281.05090	8.6
283.06476	4.5
291.03494	18.8
293.04999	13.0
295.06705	20.2
297.04495	8.9
303.03543	7.5
307.03006	11.1
307.08716	10.2
309.04526	5.0
311.06238	4.5
319.03104	5.3
321.04562	31.1
323.05817	7.6
325.08008	6.6
333.04010	3.7
335.02515	11.5
335.06085	8.3
337.07239	4.3
337.10010	6.3
339.05457	9.0
349.04156	8.9
351.05566	10.8
353.07135	29.0
363.05731	22.8
365.07477	7.8
367.05109	48.9
369.06613	8.5
381.06635	49.9
383.08075	5.3
385.06244	6.8
397.06387	4.9
409.06247	10.4
423.07504	12.4
425.05670	100.0
427.07220	14.3
427.14413	14.2
437.04388	3.7
441.12445	14.0
443.06705	43.6
467.06723	5.0
517.13782	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68267	4.0
56.96555	15.6
57.03431	5.2
58.99837	9.5
69.03411	9.7
69.69807	29.9
74.11147	3.7
77.00901	28.9
85.02898	15.3
87.04453	16.4
88.04787	6.9
89.00881	7.1
91.02441	6.1
95.01938	13.7
97.02888	7.3
98.97585	18.4
101.00871	19.8
102.75923	4.2
104.07095	18.2
105.07387	4.5
107.04961	20.7
115.02460	7.1
116.98602	14.0
119.01908	89.0
119.02694	6.7
127.03902	7.2
128.98610	6.4
130.08684	4.5
131.01897	20.8
132.87634	4.1
133.03474	28.8
134.99715	6.3
135.01405	17.0
137.02959	15.9
143.01913	12.3
144.99797	22.7
147.01361	9.6
149.02953	26.8
150.99185	7.8
153.02486	10.9
155.01889	5.0
157.03413	4.7
159.01402	13.3
160.02213	5.4
161.01364	4.9
161.02957	29.7
165.03963	8.1
168.99887	16.6
169.26436	4.3
170.03473	4.7
171.01384	10.0
171.05136	4.6
172.99353	17.3
173.02962	14.7
174.89600	38.0
175.00874	6.3
177.00774	9.1
177.02457	23.2
177.03883	5.3
177.05829	4.1
181.03462	7.1
183.05043	12.1
184.99339	18.4
185.06532	10.3
187.00835	34.6
189.02393	15.6
189.03992	6.1
191.00365	12.2
191.03914	5.3
193.00102	6.1
193.01831	5.8
195.05028	100.0
196.99306	9.8
199.00977	8.4
201.00679	6.5
203.00394	31.3
203.03955	8.0
205.01945	30.3
207.03468	10.1
207.05096	15.0
209.02969	4.8
209.06485	10.3
211.04550	4.9
212.98776	16.0
213.06064	24.4
215.00331	37.1
217.01971	16.6
219.01674	10.3
221.05023	10.1
223.02863	6.7
223.04703	7.8
225.06096	25.0
227.02249	9.9
230.99834	78.4
235.04590	11.7
237.06184	10.1
239.00639	5.0
243.07117	22.0
245.01411	18.8
247.02873	25.4
249.06186	6.8
251.04012	12.3
253.00237	8.2
253.05563	34.5
261.02603	8.2
261.08276	6.8
263.02344	58.2
265.05716	6.2
267.07126	10.9
269.04980	9.3
271.01132	8.5
271.06567	36.7
273.02695	6.6
275.03961	6.2
279.03537	5.9
279.09442	6.2
281.04688	5.1
281.07349	8.5
291.03406	15.9
293.05081	14.4
295.06723	23.0
303.03430	10.1
321.04623	30.4
323.06015	10.2
325.07776	5.4
335.02490	6.0
335.06140	6.8
337.03949	7.0
337.07788	5.9
349.04117	13.3
351.05875	9.1
353.07248	26.6
357.06546	4.8
363.05606	16.8
365.07458	8.6
367.04980	37.1
367.08932	6.1
369.06604	7.9
381.06613	51.3
385.05780	4.8
409.06131	11.4
415.15579	5.0
423.07541	10.9
425.05606	97.1
427.07162	17.1
441.08664	12.5
443.06711	33.7
467.06763	6.0
485.07776	5.8
517.11115	4.5
538.09253	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.8
55.01863	3.2
55.05501	21.2
57.03415	5.7
57.07075	2.9
65.03926	3.4
67.05499	67.0
69.07052	14.0
69.25833	24.9
71.01354	2.5
71.04985	2.4
77.03896	2.1
79.05487	75.9
81.03403	5.2
81.07053	46.9
83.04974	8.1
83.08608	7.4
85.06517	5.5
86.45292	2.2
87.55698	2.1
91.05468	38.3
91.20464	1.9
93.07034	67.3
95.04975	12.5
95.08595	31.1
97.06526	7.8
97.10152	9.1
98.20559	3.2
105.04494	2.5
105.07032	22.6
107.08584	35.1
109.10144	12.2
111.08089	2.3
117.07004	10.3
119.08562	18.3
121.10119	20.0
123.11687	2.5
129.07019	3.4
131.08568	12.9
133.10129	12.1
135.11684	48.9
143.08536	6.5
144.16624	2.1
145.10107	14.9
147.11696	5.7
149.13258	4.4
155.08627	2.6
157.10129	3.4
159.11705	5.9
161.13194	3.3
163.11171	5.4
171.11656	3.9
173.13292	8.3
181.12270	8.5
183.11598	2.2
185.13179	2.1
405.31586	5.0
423.32468	6.0
450.10684	2.2
459.34689	2.9
515.37299	100.0
516.37372	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	516.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	3.5
67.05494	5.1
67.16618	1.9
69.03413	4.1
69.48596	11.6
69.49013	4.4
73.02916	5.4
78.69121	1.8
79.05486	5.2
81.03420	4.4
85.02902	3.0
88.60660	2.0
93.03414	4.4
95.04964	24.6
96.04488	25.1
97.02904	4.2
107.04963	11.0
109.02879	7.0
110.06027	4.6
111.04479	2.6
112.08649	2.3
112.32360	1.9
116.98593	2.0
119.04948	2.7
120.04446	1.9
121.02850	2.4
121.06496	2.4
122.03569	2.6
122.06019	28.9
123.04441	29.3
124.03973	3.1
131.04926	2.7
135.04436	10.1
137.02347	5.6
138.05496	18.4
139.03906	4.5
141.07011	2.1
147.04420	12.8
148.03914	9.9
148.04994	2.3
149.02298	11.4
149.04764	4.0
149.05940	2.9
150.03107	3.3
150.05499	100.0
151.03891	5.0
153.01782	11.6
155.03392	3.7
161.02319	2.7
163.03902	10.1
165.01846	2.2
165.05424	2.1
166.04994	17.1
167.07010	6.8
168.06606	11.8
175.03911	3.9
179.03407	3.3
179.47238	2.1
185.05939	2.5
187.07547	2.1
189.01927	2.4
189.05446	6.0
191.03427	4.0
193.04968	1.9
199.07529	1.9
201.05342	2.0
209.06017	3.2
212.04613	2.4
213.05501	16.6
215.07021	2.0
217.01372	8.9
217.04959	2.3
225.05455	2.1
227.07178	3.7
231.06497	2.9
237.05435	3.7
239.07083	2.6
241.05057	3.5
243.06569	11.2
255.06590	8.3
257.07974	3.6
259.05917	10.0
261.07593	5.8
265.05066	2.5
267.06589	2.8
271.06018	10.6
283.06079	24.4
285.07526	8.2
311.05356	12.5
313.07111	6.5
328.08212	2.0
329.06485	5.6
330.09717	6.1
331.08011	5.1
347.07571	5.2
348.10550	14.0
357.06027	5.5
375.07150	14.8
403.06638	3.4
420.09293	13.7
421.07617	6.7
438.10345	69.3
498.12527	2.9
516.14832	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	515.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01865	3.4
55.05510	18.6
57.03432	5.8
57.07058	3.1
58.01628	0.9
65.03927	2.4
67.05502	52.3
69.03397	0.9
69.06713	1.3
69.07063	15.9
69.57549	1.8
69.57948	6.6
71.01355	1.7
71.04971	3.0
79.05492	45.8
81.03405	3.4
81.07054	39.8
81.38479	0.8
83.04967	5.7
83.08625	7.3
83.27470	0.9
85.06532	2.3
91.05476	25.4
93.07040	54.3
95.04961	7.4
95.08598	23.7
97.06527	7.3
97.10162	5.5
99.08141	1.0
100.83334	0.8
105.07024	16.6
107.04939	1.5
107.08591	31.7
109.06570	1.4
109.10149	9.4
111.08084	2.8
115.05484	1.1
117.07022	11.0
119.08564	13.3
121.10135	17.0
123.08018	1.1
123.11710	2.2
124.34918	0.8
125.09612	2.0
129.07011	3.6
131.08565	13.0
133.10094	9.7
135.11685	37.8
137.09592	1.0
143.08539	5.1
145.10109	14.1
147.11670	5.7
149.13269	3.6
153.12747	3.4
155.08556	1.5
157.10100	3.9
159.11688	7.6
161.13271	3.3
163.11185	4.1
163.14833	1.4
169.10165	3.1
171.10222	1.1
171.11618	4.7
173.13251	8.2
175.14885	1.6
181.10165	0.8
181.10829	0.9
181.12259	6.0
183.11769	1.5
185.13307	2.4
187.14870	2.4
195.11775	1.3
197.95131	0.9
199.13208	1.2
199.14871	2.1
201.16289	1.1
211.14815	1.8
213.16292	1.1
223.14719	1.1
225.16315	0.9
261.22067	5.1
311.23822	1.6
325.25146	1.1
405.31180	2.0
423.32614	7.5
441.33688	3.0
459.34933	1.0
497.36298	3.4
515.37305	100.0
516.37567	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	515.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01854	2.5
55.05508	18.5
56.28590	1.5
57.03434	6.0
57.07068	2.3
58.26183	1.2
64.22638	1.1
65.03917	1.9
67.05502	45.2
69.07068	16.4
71.04990	2.2
71.59827	1.3
77.02094	1.2
79.05492	43.8
81.03396	2.0
81.06575	2.3
81.07055	39.1
83.04970	5.0
83.08642	7.3
85.06540	2.5
86.88350	1.2
91.05480	27.0
93.07040	50.2
95.04979	8.0
95.08613	26.1
97.06519	8.2
97.10180	6.7
103.03922	1.4
103.05430	1.5
105.07029	22.2
107.08595	24.5
109.06527	1.7
109.10155	11.3
111.08105	1.7
115.83001	1.3
117.07014	10.0
117.78101	1.2
119.08574	19.7
121.10139	17.5
123.11700	2.6
125.09599	2.8
129.07021	6.3
131.08569	14.8
133.10135	11.8
135.11687	25.9
141.53214	1.3
143.08537	8.0
145.10139	19.6
147.11653	6.2
149.13281	3.7
155.08527	3.5
157.10092	8.7
159.11688	12.4
161.13275	4.0
163.11150	3.2
167.08524	1.6
169.10149	4.1
171.11700	5.3
173.13249	7.6
175.14799	1.3
181.10080	1.9
181.12241	3.1
183.11722	4.4
185.13293	4.7
187.14868	3.8
195.11621	1.7
197.13287	2.7
199.14844	3.4
201.16277	1.8
209.13283	1.8
211.14867	2.3
213.16438	2.8
223.14839	1.5
225.16399	2.4
243.17520	1.5
261.22165	4.0
360.80664	1.5
405.31625	3.5
423.32587	14.3
441.33536	4.6
481.38876	1.3
497.36258	4.3
515.37311	100.0
516.37677	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	515.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
53.53999	0.9
55.01861	2.9
55.05508	19.3
57.03442	7.7
57.07067	2.7
59.33363	0.9
65.03932	3.5
67.05502	61.5
67.40025	1.0
69.07063	15.6
70.63875	3.0
71.01351	2.2
71.04984	3.5
73.16062	0.9
79.05487	53.7
81.03407	2.7
81.06573	2.2
81.07052	41.3
83.04979	7.0
83.08619	7.9
83.25193	1.1
85.06536	2.2
86.51231	0.8
89.34785	0.8
91.05479	34.8
93.07038	60.7
95.04967	9.3
95.08601	28.9
97.06528	8.5
97.10179	8.1
98.67178	0.8
99.08094	2.2
100.61464	0.9
103.05502	1.1
105.04518	2.0
105.07021	20.4
107.04949	1.9
107.07854	1.8
107.08585	36.0
107.09289	2.0
109.06517	1.1
109.10155	11.7
111.08070	1.6
115.05430	1.2
117.07026	13.9
119.08572	15.6
121.10142	17.4
123.08130	1.4
123.11723	1.8
124.63976	0.9
125.09633	2.1
129.06969	4.6
130.07793	1.1
131.08566	14.5
133.10127	11.1
135.11681	36.7
141.06949	1.3
143.08559	5.4
145.10110	17.5
147.11662	7.5
149.13237	4.3
153.12730	2.3
155.08559	3.3
157.10164	6.1
159.11659	8.9
161.13293	3.7
163.11098	4.9
169.10091	2.3
171.11716	4.2
173.13239	6.9
175.14847	2.0
181.10220	1.5
181.12234	6.5
183.11656	2.1
185.13280	3.8
187.14816	2.6
187.19113	1.0
195.11681	1.4
197.13289	1.9
199.14885	2.0
209.13353	1.4
211.14919	1.2
213.16417	1.8
243.21191	1.6
261.22174	5.1
285.21976	1.3
311.23520	1.2
317.25031	1.6
352.17313	1.0
405.31665	2.4
411.52167	1.2
423.32623	8.8
441.33817	3.7
459.34671	1.4
497.36121	2.7
500.17551	1.1
515.37317	100.0
516.37653	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	515.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.6
55.01860	5.5
55.05518	27.0
57.03434	11.9
61.02921	5.3
67.05164	7.5
67.05501	88.4
69.03400	6.4
69.07068	22.5
71.04958	6.1
71.60182	7.9
72.77804	3.9
73.02917	6.5
79.05489	63.8
81.03415	15.4
81.07051	100.0
83.04974	12.2
83.08623	14.7
85.02910	14.5
85.06546	6.8
86.07231	3.9
91.05473	39.6
92.64716	4.2
93.07036	68.4
95.04980	15.1
95.08595	72.0
97.02904	12.8
97.06535	7.2
97.10199	6.3
99.08115	5.7
101.52991	5.0
103.03925	5.4
105.07029	44.3
107.04916	7.3
107.08591	27.7
109.02803	4.8
109.06528	13.5
109.10147	36.9
117.07027	12.1
119.08582	31.0
121.06518	5.7
121.10143	42.3
123.08075	6.8
123.11708	12.7
129.06973	4.6
131.08560	26.2
133.10062	25.5
135.08054	6.7
135.11667	24.6
143.08505	7.2
145.10143	23.5
147.08028	5.1
147.11699	18.4
149.09615	5.9
149.13252	16.5
155.08636	7.1
157.10078	6.1
159.11707	15.2
161.13269	10.4
163.14804	12.1
173.13269	15.3
177.12698	6.5
185.13280	7.3
187.14815	7.6
230.14650	4.4
234.51338	5.4
243.21100	20.5
261.22095	46.5
269.17117	5.6
270.17804	6.5
285.22168	6.3
301.21716	8.4
303.58093	5.0
335.25906	23.8
345.24109	9.4
353.26828	18.8
405.26257	9.2
461.28604	4.9
479.30127	4.5
480.30472	8.5
497.30988	10.6
515.26550	40.1
515.33472	7.0
515.36615	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.3
55.05509	16.2
57.03416	9.7
57.07063	3.8
58.06590	3.9
61.02908	7.2
65.03932	2.9
67.05502	92.4
69.03428	5.7
69.07059	17.9
69.34576	16.5
69.35004	11.7
71.04978	5.5
79.05486	52.0
81.03398	7.3
81.07055	100.0
83.04975	5.0
83.08604	13.7
85.02883	5.4
85.06533	7.0
91.03902	3.2
91.05484	35.0
93.06473	4.5
93.07043	66.7
95.04951	7.5
95.08601	77.9
97.02878	5.2
97.06498	3.1
97.10128	5.1
98.20679	5.5
99.04436	3.6
99.08048	4.2
101.02348	3.6
105.07031	32.2
107.04932	3.1
107.08591	39.5
109.06498	8.4
109.10148	33.8
111.08067	3.2
117.07008	13.0
119.08566	26.5
121.10132	35.1
123.04562	2.8
123.08078	4.9
123.11690	16.8
129.07004	6.2
130.07796	2.7
131.08551	28.4
133.10143	18.5
135.08078	3.1
135.11681	31.9
137.13220	3.7
143.08566	5.4
145.10124	24.7
147.11681	18.7
149.13240	21.6
151.14775	3.4
159.11694	14.6
161.13275	14.3
163.14812	13.2
173.13272	18.0
175.14842	3.2
177.16344	6.5
179.14384	4.3
185.13339	3.6
187.14798	12.0
191.14159	3.5
201.16444	4.1
213.16353	3.5
241.41969	2.8
243.21150	24.0
261.22134	60.9
279.23077	4.1
291.23062	2.8
297.37634	2.8
301.21497	6.8
317.24872	4.4
335.25735	24.6
335.67795	2.8
353.26627	14.7
419.28156	5.1
458.23343	6.5
479.29398	3.5
497.30881	6.2
515.37085	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	515.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15335	0.4
52.50079	0.4
53.55832	0.4
55.05499	1.0
57.03437	0.9
67.05508	3.2
69.07056	1.2
69.41520	4.0
79.05488	3.1
81.07043	4.0
83.05014	0.5
83.08620	0.5
86.82598	0.4
91.05468	1.8
93.07037	2.9
95.04986	0.9
95.08595	1.5
105.07050	1.5
107.08607	1.9
117.07024	0.9
119.08588	1.0
121.10115	0.6
126.82830	0.4
129.07008	0.6
131.08617	0.9
133.10106	0.7
135.11742	0.5
143.08548	0.8
145.10153	0.6
147.11722	0.6
149.13248	0.5
157.10222	0.5
159.11693	1.1
166.77414	0.4
171.11743	0.7
177.12930	0.5
198.42439	0.4
235.12985	3.7
247.13031	7.5
289.86847	0.4
291.15610	4.6
303.15573	3.4
515.29773	100.0
515.36530	4.9
516.30194	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	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.05507	33.4
57.03429	10.2
57.07062	5.9
58.06595	17.8
61.02935	5.5
61.03270	3.7
62.20263	3.3
65.03933	4.8
67.05169	7.6
67.05505	100.0
68.05824	4.0
69.03428	10.0
69.07065	23.3
79.05492	69.6
81.03400	10.0
81.07057	92.5
83.04983	5.3
83.08614	15.0
85.02900	4.6
91.03976	5.9
91.05473	61.3
93.07039	92.3
95.04981	17.1
95.08038	6.0
95.08609	71.2
97.06538	7.0
97.10175	6.3
99.08120	5.6
103.05437	3.6
105.04495	3.8
105.07033	49.9
107.04933	4.1
107.08589	44.9
108.08852	4.5
109.06512	6.7
109.10159	35.5
113.14342	3.4
117.07006	23.3
119.08583	35.3
120.96679	3.8
121.10136	47.8
123.08099	4.7
123.11717	14.3
125.09599	5.8
127.03912	4.5
129.07016	10.4
131.08562	35.8
133.10124	24.4
135.08037	6.1
135.11665	25.6
143.08565	15.9
145.10132	29.7
147.11725	20.0
149.13239	16.3
151.11156	4.8
157.10152	12.0
158.10582	3.4
159.11743	24.2
161.09674	4.2
161.13266	12.7
163.11243	5.9
163.14816	15.5
169.10129	5.0
171.11710	14.0
173.13257	18.3
175.64354	4.4
179.14330	4.5
183.11674	5.1
185.13321	7.2
187.14819	7.6
189.16206	3.4
197.13196	3.8
199.14842	4.2
201.16405	3.5
207.13872	5.5
209.13272	4.5
235.16907	6.5
243.21095	14.7
261.22147	49.5
264.84555	3.7
301.20270	3.8
335.26016	6.8
353.26944	14.3
369.23727	4.5
423.32590	5.5
440.22421	3.8
458.23624	39.5
497.36111	3.9
515.37109	59.6
520.64893	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24849	2.1
53.03960	2.2
55.01855	7.8
55.05502	11.6
55.05750	1.9
56.05053	2.2
57.03453	2.3
61.02925	25.2
61.81689	2.1
65.03969	2.2
67.05501	10.3
69.03416	5.1
69.07056	3.2
71.04990	4.1
71.59915	3.7
73.02919	3.1
74.88929	2.1
79.05489	20.5
81.03410	8.3
81.07053	35.1
83.04995	3.5
83.08620	2.8
85.01114	14.2
85.02906	5.1
86.00666	3.0
91.03940	10.7
91.05484	10.3
93.07038	22.4
95.01321	2.2
95.04970	10.3
95.08588	8.2
98.09698	7.7
103.30696	2.0
105.07027	7.5
107.04960	8.1
107.08588	9.0
109.06531	10.5
109.10153	2.7
110.09729	3.7
111.04424	5.1
111.08076	98.5
112.03959	4.0
113.04216	26.3
116.01678	3.8
117.06992	4.0
119.03471	2.1
119.08589	5.1
121.06485	7.0
121.10144	4.6
123.04447	4.9
123.08060	12.8
125.09671	6.6
130.04977	7.5
131.08583	3.9
133.06502	2.9
137.05960	13.3
139.03880	3.2
139.07544	7.7
147.04433	3.1
147.08041	4.4
149.09621	5.9
151.07500	5.1
155.07068	5.3
156.08469	14.5
156.10193	8.2
162.02159	3.2
165.09103	5.2
167.01523	2.2
167.07053	6.9
167.10652	3.1
169.08624	2.7
177.09102	4.4
193.08698	3.4
195.10138	23.0
211.09645	42.5
213.11031	2.2
229.10695	8.3
239.09120	63.4
242.08456	9.4
257.10199	56.0
259.11130	100.0
339.17242	3.4
368.77304	2.6
515.20599	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04953	3.0
79.05475	1.5
81.07065	0.7
83.04953	0.6
89.15997	0.5
91.05476	1.2
93.07041	0.7
95.04945	0.9
98.21400	0.8
103.05450	3.5
105.07007	3.8
107.04942	12.7
107.08600	0.6
117.01454	0.6
117.07017	0.8
121.06499	5.2
123.08038	0.8
126.69747	0.6
127.03880	0.8
131.04922	21.5
133.06470	6.8
143.03221	0.5
145.06461	3.2
145.10051	0.5
149.05981	1.2
151.07523	0.9
151.61702	0.7
153.09102	1.0
161.06039	0.7
165.09100	1.6
181.08574	8.4
203.05254	100.0
210.10315	0.7
219.10190	0.8
221.06343	1.0
221.09621	2.2
222.10475	0.7
238.09839	2.0
239.10684	1.6
244.07927	2.2
249.09050	1.9
250.10062	0.7
251.10855	0.7
253.12201	2.4
259.11206	0.6
266.09360	1.4
267.10049	1.1
275.09164	0.9
281.11725	4.6
282.12430	1.5
283.09732	2.2
298.11963	1.5
313.14313	25.9
335.12524	11.2
376.14801	0.8
417.96939	0.6
515.18695	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	515.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70920	3.9
56.96550	18.7
69.03410	6.6
70.06559	4.1
70.82944	11.1
72.08134	3.9
79.05483	8.2
81.03397	5.6
85.02901	9.7
91.05476	9.3
95.04950	4.3
98.97569	12.2
105.07021	5.4
116.98596	8.7
119.04946	9.1
123.04421	4.8
128.98593	8.6
133.06487	25.4
135.11720	4.5
137.05984	6.9
146.99640	6.9
147.04385	40.2
149.01254	4.6
161.01231	16.8
177.00667	8.0
179.02115	5.1
189.12675	10.0
201.00734	6.8
219.01826	16.5
237.02791	9.6
265.08731	5.4
323.15411	5.9
347.06543	4.7
443.19547	12.1
492.40344	4.7
512.30707	4.3
515.18768	100.0
515.36493	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	514.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01853	5.4
55.05506	23.0
55.99406	5.2
57.03427	24.2
57.07058	5.2
67.05170	6.0
67.05502	80.8
69.07068	26.2
71.04961	6.8
79.05482	52.4
81.03423	49.1
81.07051	100.0
83.04971	20.0
83.08606	24.5
85.02887	18.7
85.06469	5.8
91.05479	49.7
93.07035	71.1
95.04970	27.8
95.08594	36.8
97.06526	16.5
97.10126	9.0
98.20774	13.4
105.07042	23.5
107.04931	8.1
107.08582	44.1
109.06543	11.2
109.10142	9.0
111.08073	16.4
117.07043	12.5
119.08585	19.4
121.06465	6.1
121.10134	20.9
123.08088	5.9
129.05498	5.8
129.06998	17.4
131.08571	17.7
133.10104	20.6
135.11694	8.8
140.20435	5.5
145.10187	5.3
147.11636	10.4
149.09673	8.7
149.13205	29.8
157.10121	15.2
159.11732	13.4
175.11137	9.7
193.12251	35.2
195.11932	5.4
195.13745	20.0
211.13280	66.1
267.15955	12.1
269.17474	92.8
285.16965	45.6
461.29004	25.9
479.30106	80.9
514.36200	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	514.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.6
55.05511	8.4
56.96566	3.6
57.03439	7.4
61.02918	3.5
64.24557	2.9
67.05508	9.7
69.03419	9.4
69.07056	6.6
69.48006	25.0
70.06593	5.9
71.04984	5.1
73.02937	3.5
75.58317	2.5
79.05490	10.1
81.03416	100.0
81.07062	7.7
83.04993	3.9
83.08621	23.7
85.02902	19.1
86.09691	5.0
91.05479	16.9
93.07043	9.1
95.04974	29.5
95.08591	7.0
97.02911	8.1
97.10170	2.9
98.97589	3.5
105.07018	13.8
107.04935	6.0
107.08590	5.7
109.02871	5.8
109.10115	4.7
111.04451	2.8
111.08059	9.6
115.05486	3.0
115.19534	2.4
116.98660	5.4
119.08598	12.2
121.06536	3.2
121.10147	5.5
125.05988	4.0
127.03957	4.3
129.06998	7.1
131.08565	9.8
133.06427	3.0
133.08958	4.4
133.10129	7.9
134.09224	3.9
147.04408	6.0
147.08092	5.3
147.11691	10.3
148.11182	40.6
149.09624	7.3
149.11565	25.7
153.01836	11.2
157.10120	11.3
175.11113	13.2
192.10190	3.0
193.12238	74.2
211.13330	4.2
218.09328	3.2
223.19603	2.9
225.10316	3.7
234.32541	3.2
267.11401	3.7
267.15927	50.6
272.14551	4.1
285.16959	72.3
287.05585	9.9
293.14294	3.3
309.16962	11.8
313.11783	8.1
318.52640	2.9
323.12601	4.0
331.09784	4.2
357.96555	2.7
358.98569	3.2
361.02246	14.5
363.18024	3.2
373.14044	17.2
375.18103	3.3
415.75427	3.0
429.21323	4.3
433.11850	3.4
514.24683	10.2
515.20471	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	514.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29925	0.7
53.03936	1.1
56.66673	0.7
69.03430	3.6
70.06580	2.2
71.59409	1.3
79.01836	2.8
80.47927	0.7
81.03411	7.6
85.02896	3.0
93.07008	0.9
95.04945	8.1
97.02882	6.4
98.21439	0.7
99.04462	1.0
109.02860	4.8
114.05537	0.9
116.07057	0.9
119.04916	1.0
121.06533	0.7
123.04420	57.2
125.02334	3.4
125.07083	0.9
127.03896	6.9
141.93544	0.6
143.03355	4.7
145.04945	2.6
147.04404	3.0
153.01817	100.0
154.02199	1.3
165.05463	35.6
171.02875	18.3
243.67227	0.8
297.06058	10.0
315.07053	21.9
451.15121	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96748	4.7
55.01873	7.9
55.05503	24.4
55.22730	5.4
57.03426	11.0
61.02916	20.0
67.05506	56.3
69.03433	8.3
69.07056	17.1
69.31137	35.2
69.31561	20.0
71.04967	6.5
72.87249	6.1
73.02917	11.5
79.05500	51.1
81.03407	22.1
81.07049	67.0
83.04983	10.5
83.08634	12.2
85.02889	22.0
85.06551	7.7
91.03938	7.2
91.05475	54.3
91.30544	6.0
91.50012	5.4
93.07040	53.8
95.04942	12.8
95.08607	30.7
97.02892	15.4
97.06528	8.0
105.07033	48.5
106.98060	6.4
107.08594	29.3
109.10168	21.4
109.15813	4.9
117.07013	10.8
119.08581	38.9
121.06532	6.6
121.10122	32.3
127.03945	5.9
129.07001	16.3
131.08562	27.4
133.10136	35.5
135.11696	22.8
137.09616	6.3
143.08562	8.9
145.10112	22.5
147.11697	38.4
149.13261	12.7
157.10124	16.0
159.11771	26.9
161.13257	22.5
163.14790	7.1
171.11688	13.3
173.13266	14.8
175.14832	9.2
185.13231	15.6
193.12439	5.7
195.45741	5.5
199.14923	7.6
229.14207	6.5
241.19495	20.7
259.20584	45.4
349.23688	8.3
351.25293	100.0
459.27393	6.4
477.28906	7.3
495.29257	8.3
513.34283	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3058
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.94466	1.6
53.03930	3.7
55.05498	9.3
57.03432	6.3
57.07059	2.1
61.02923	16.4
64.79004	1.8
67.05501	30.9
69.03415	7.0
69.07052	8.7
69.94926	9.1
71.04982	2.6
73.02910	3.9
79.05482	27.7
81.03394	4.2
81.07048	34.3
83.08598	6.0
85.02906	12.2
85.06529	3.3
91.03949	6.7
91.05472	27.9
93.07028	42.0
95.04958	5.8
95.08596	22.7
97.02880	8.5
97.06525	1.9
97.10184	3.1
105.07027	28.6
107.08585	23.2
109.06532	3.4
109.10117	8.7
111.08067	2.3
117.07018	7.5
119.08571	31.9
121.10143	21.6
123.08008	2.2
127.03922	2.1
129.07031	4.6
131.08551	15.9
133.10112	23.9
135.11684	21.0
143.08546	5.7
145.10127	16.7
147.11679	22.4
149.13219	14.0
157.10100	6.6
159.11681	14.1
161.09654	3.2
161.13226	15.3
163.11253	2.0
163.14798	7.4
169.10065	2.8
171.11671	8.4
173.13235	7.9
175.14851	10.2
177.12776	2.4
183.11742	3.2
185.13255	7.8
187.14835	2.2
189.12846	2.1
198.64783	2.0
199.14847	5.0
213.12825	1.9
213.16440	3.0
231.21101	5.1
241.19469	19.7
257.18771	2.7
259.20572	42.6
271.20361	1.9
277.21567	5.7
333.24316	10.2
339.22903	2.1
347.04135	1.9
349.23654	5.0
351.25272	100.0
363.24878	2.9
367.86368	1.9
375.25198	1.8
385.13300	2.2
403.24609	1.9
417.26260	4.3
441.26102	3.7
477.28079	3.1
495.29260	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	513.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.5
55.01861	4.2
55.05490	11.1
56.96550	3.4
57.03424	8.2
57.07049	4.2
61.02924	17.5
66.83876	3.5
67.05496	48.9
67.76131	3.3
69.03414	8.5
69.07043	14.9
71.04986	6.9
71.29491	4.4
73.02878	7.0
79.05492	33.0
81.03397	12.5
81.07056	43.1
83.08611	10.2
85.02900	18.2
85.06487	3.8
87.96075	3.3
91.03935	8.1
91.05470	36.0
93.07039	48.7
95.04951	9.3
95.08588	25.5
97.02880	11.8
97.06528	6.4
97.10129	7.3
105.07036	42.3
107.04967	5.4
107.08605	24.8
109.06496	3.5
109.10145	23.0
117.06974	19.3
119.08573	42.1
121.10113	22.8
125.09608	5.5
127.03897	6.8
128.06244	3.9
129.05463	5.1
129.06993	8.8
131.08557	21.3
133.10129	34.9
135.11688	22.7
143.08559	14.2
145.04919	4.4
145.10107	22.6
147.11665	28.6
149.13274	16.7
157.10088	11.4
159.11700	16.5
161.09703	4.1
161.13245	20.7
169.10191	4.5
171.11699	11.2
173.11737	5.7
173.13235	10.0
175.11250	4.2
175.14795	9.7
177.12740	3.5
181.10159	6.1
181.24364	3.2
183.11673	3.6
185.13235	10.1
189.12808	3.6
195.11697	4.5
199.14790	6.5
203.14235	3.3
207.55380	3.1
229.14288	11.0
230.34134	4.4
241.19475	15.8
259.20560	53.7
269.17337	5.4
275.20132	6.0
304.83820	3.3
349.23795	6.1
351.25229	100.0
352.25461	3.5
363.25128	4.3
385.23523	7.1
403.24567	5.6
421.25815	8.1
441.26038	3.7
459.27441	4.8
495.29718	6.4
513.35358	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.5
53.92957	2.5
55.01874	4.0
55.05507	6.3
57.03422	6.8
57.04001	2.4
58.21934	2.4
60.85385	2.6
61.02917	9.1
65.03954	3.8
67.05501	36.9
69.03419	8.1
69.07050	9.0
73.02917	6.0
79.05492	30.1
81.03435	4.0
81.07059	33.2
83.04967	4.8
83.08598	4.3
85.02904	9.5
91.05469	27.5
93.07032	40.6
95.04954	16.0
95.08609	16.7
97.02899	8.5
105.07027	24.4
107.08585	19.5
109.06544	3.2
109.10160	9.9
117.07034	7.6
119.08570	27.8
121.10113	20.7
129.06966	6.9
131.08557	8.2
133.10136	21.0
134.56549	3.2
135.11667	18.1
143.08543	6.9
145.10144	12.6
147.11708	21.4
149.13249	16.9
153.01820	22.8
153.66779	3.0
157.10136	4.2
159.11702	14.0
161.13234	18.4
163.11186	3.1
167.08444	2.9
171.11737	6.2
173.13271	8.1
175.14856	7.4
179.14246	3.2
185.13293	7.4
187.14789	3.4
231.21152	3.5
233.82870	3.2
241.19513	15.8
259.20532	34.9
277.21674	6.8
323.05817	3.6
333.24127	7.5
349.23727	4.4
351.25247	100.0
367.11722	6.9
374.07642	3.6
391.11819	6.4
417.13388	23.4
417.26297	3.5
433.12808	20.5
441.26346	3.7
459.14383	3.5
477.15350	7.8
495.16162	6.4
495.29355	3.8
513.35663	5.5
535.98187	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	511.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
53.38964	1.8
55.01874	7.2
55.05508	22.3
56.96571	2.7
57.03440	11.2
60.54313	1.8
60.54639	1.9
61.02927	3.0
65.03945	4.4
65.75840	1.9
67.05502	78.5
69.03429	10.3
69.07063	13.7
71.01353	3.0
71.04988	59.4
71.05359	3.4
71.59711	2.0
71.60115	2.2
73.02922	2.2
79.05492	51.0
81.03411	55.9
81.07054	100.0
83.04994	19.6
83.08611	26.5
85.02896	37.0
85.03353	2.8
85.06560	5.5
87.04470	2.6
91.05476	70.2
93.07041	39.2
95.04959	27.2
95.05447	2.2
95.08604	22.0
97.02917	6.4
97.06536	10.4
97.10174	6.4
104.39079	1.8
105.07026	43.1
105.07659	3.3
107.04974	7.5
107.08582	32.0
109.06528	7.8
109.10151	13.1
111.04524	3.6
111.08073	13.9
113.06009	3.0
117.07046	9.1
119.08565	20.6
121.06557	2.5
121.10134	14.8
123.08127	3.4
123.11696	21.2
125.09646	3.5
129.07002	10.2
131.08534	14.9
133.06493	3.2
133.10115	33.8
135.11719	9.9
137.09644	2.7
145.10123	3.6
145.35393	1.9
147.11681	17.0
149.09642	8.9
149.13214	10.1
151.11140	16.7
157.10109	10.8
159.11703	9.2
165.12646	2.6
168.38589	2.1
173.13264	2.3
175.11217	13.4
177.12776	4.6
183.13808	21.1
187.13307	3.8
193.12236	55.2
195.13863	7.5
203.40381	1.9
209.15401	1.8
211.13295	60.8
211.15213	3.6
227.16527	3.9
248.85452	1.9
267.16031	6.8
275.20117	4.1
283.19370	2.6
285.17062	3.5
286.35385	2.0
299.18536	2.4
435.27451	5.9
461.29037	3.1
467.29984	41.4
479.29910	4.1
493.31223	2.1
511.32870	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.1
57.03426	7.1
57.07066	5.9
61.32489	1.8
67.05504	15.9
67.13609	1.8
69.07056	22.4
71.08630	4.2
79.05493	9.1
81.07054	18.5
83.08618	15.0
91.05473	2.4
92.85123	2.3
93.07051	9.8
95.08602	16.5
97.10177	9.6
98.98458	23.9
103.73654	2.2
104.57609	2.0
105.07045	4.3
107.08612	5.8
109.10132	6.9
111.08093	2.4
113.56451	1.9
117.07053	2.5
117.07948	2.0
119.08528	2.9
121.10143	8.3
121.76920	2.2
123.11745	2.6
131.08557	5.5
135.11720	5.3
139.11200	2.3
143.08546	5.3
145.10071	5.1
149.13388	2.8
155.01044	13.6
157.10101	4.7
159.11668	4.3
169.10150	3.2
171.11742	3.0
173.02208	3.2
173.13306	2.4
229.86235	3.5
235.82755	2.0
240.28748	2.2
265.25510	2.3
287.10480	2.4
306.25690	2.1
339.28928	100.0
410.09644	2.3
437.34097	5.5
475.28110	4.7
478.11160	2.4
511.37900	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.7
55.05510	24.9
55.30724	3.0
56.96554	3.5
57.03440	22.0
57.07045	3.8
61.02911	6.5
62.48013	3.2
65.03938	7.3
67.05500	96.9
69.03413	8.8
69.07072	23.1
71.01350	18.1
71.58986	4.3
71.59389	3.9
73.02907	15.8
75.84695	2.9
79.05485	61.2
81.03407	12.1
81.07052	100.0
83.04951	5.3
83.08614	12.4
85.02907	36.9
85.06555	5.1
91.05482	43.5
93.07041	72.0
95.01325	12.1
95.04961	10.2
95.08606	80.1
97.02893	17.5
97.06512	5.0
97.10181	4.8
99.00799	4.6
99.04520	3.5
101.02365	7.5
103.03934	6.5
104.12251	3.2
105.07027	40.6
107.08588	37.7
109.10139	34.3
113.02341	12.7
117.07037	15.1
119.08577	25.6
121.10136	31.4
123.08038	5.6
123.11678	16.9
129.06981	6.7
131.03392	10.6
131.08531	20.0
133.10124	25.0
135.11708	23.8
137.13266	6.1
141.01817	23.1
143.08580	7.9
145.10103	20.0
147.11650	16.3
149.13226	16.7
150.26086	3.2
155.08571	5.4
159.02893	5.2
159.11691	18.3
161.13251	12.2
163.14796	9.5
173.13254	12.7
175.11090	3.2
175.14792	5.7
181.10143	4.1
183.11671	4.2
187.14810	9.6
197.13155	3.4
211.13306	5.0
215.05168	4.0
220.75862	3.4
243.21115	5.9
259.20599	4.6
261.22128	32.6
275.19971	3.9
289.21793	3.4
303.23285	4.2
317.24542	4.3
335.25781	36.7
361.62085	3.2
364.14478	7.6
365.16388	9.1
475.26987	4.9
493.28140	3.6
511.28421	20.4
511.35538	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49277	5.5
53.03934	6.8
55.01852	9.2
55.05495	25.8
57.03437	11.9
61.02916	36.2
67.05214	6.0
67.05499	65.2
69.03410	18.3
69.07062	34.5
71.04978	21.0
73.02906	16.2
79.05487	52.8
81.03403	35.7
81.07053	80.1
83.04996	7.1
83.08598	15.3
85.02906	33.6
85.06530	6.9
86.59167	5.8
87.65119	5.5
91.03941	15.2
91.05478	74.2
93.07043	44.2
95.01329	6.1
95.04949	21.2
95.08616	38.4
97.02884	25.2
97.06505	24.0
97.10186	9.6
98.21114	32.9
105.07014	86.7
107.04926	19.6
107.08562	27.1
109.02859	13.1
109.10150	17.8
112.05095	6.0
117.06990	15.3
119.08579	54.7
121.06497	5.6
121.10165	14.0
123.08022	9.6
123.11644	8.5
125.09646	9.1
127.03907	12.7
129.07018	10.7
131.08545	35.2
133.10135	43.0
135.11681	11.0
143.08623	8.0
145.10118	15.1
147.11650	23.2
149.09633	10.3
149.13219	6.4
151.11107	8.2
157.10080	6.8
159.11646	17.9
163.11192	7.8
171.11635	9.7
179.14330	12.6
183.06499	6.1
229.71910	6.1
257.18909	13.0
267.15958	6.8
275.20044	100.0
349.23709	52.8
391.24561	7.4
511.28659	28.5
511.33246	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	511.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10329	2.5
53.03947	12.3
55.01867	8.9
55.05508	27.1
56.96560	3.5
57.03432	24.0
60.87602	2.2
61.02919	7.3
67.05500	82.4
69.03423	39.6
69.07064	20.5
71.01331	2.6
71.04991	27.5
73.02888	4.2
79.05051	4.8
79.05490	64.5
81.03417	74.0
81.07051	100.0
83.04987	21.8
83.08620	21.9
85.02905	35.4
85.06541	9.8
87.04515	2.7
91.03953	5.5
91.05482	68.7
91.86945	2.8
93.07044	51.9
95.04965	25.7
95.08608	39.0
95.62768	2.4
97.02885	31.1
97.06528	14.2
97.10168	8.5
99.04449	9.8
99.08063	5.6
101.02402	3.0
101.20535	3.2
103.03935	5.7
103.05465	4.7
105.07019	53.3
107.04963	13.4
107.08582	38.5
109.02874	11.5
109.06516	11.8
109.10163	23.6
111.04442	11.0
111.08079	11.1
111.83417	2.3
113.05989	2.6
115.05477	4.7
117.07005	13.5
118.15036	2.3
119.08573	39.8
121.06532	5.6
121.10114	26.1
123.04423	3.9
123.08042	7.4
123.11723	12.3
125.09614	6.7
127.03917	20.4
127.07666	2.5
129.05498	6.8
129.06975	12.4
131.08565	32.8
133.06506	3.7
133.10112	34.9
135.08060	10.3
135.11638	15.8
137.05923	6.2
137.09598	7.0
143.08517	7.9
145.10130	21.6
147.08069	4.2
147.11682	19.7
149.09599	11.8
149.13263	13.4
151.11189	9.6
157.10124	15.3
159.11665	20.5
161.09555	4.3
161.13277	6.5
163.11183	7.5
165.12750	6.8
169.10078	3.2
171.08105	2.7
171.11693	5.6
173.04453	12.5
173.13289	8.2
175.11227	13.2
177.12753	5.8
181.12193	3.7
183.06581	2.9
183.13762	5.8
191.10643	2.6
193.12238	23.4
195.11996	2.8
195.13828	10.8
201.07730	3.3
207.13899	3.3
207.89130	3.1
211.13284	28.7
227.12926	3.4
239.17953	5.6
247.20593	6.1
257.18906	9.6
261.10187	2.8
267.15939	4.0
269.10785	3.2
269.17490	7.1
275.17200	5.1
275.20013	39.0
283.15469	3.2
287.19754	3.5
293.21164	3.6
323.19174	2.8
331.22672	3.2
349.23691	36.5
367.24985	3.2
373.23514	3.5
413.21713	14.5
467.29898	12.1
484.39648	2.9
493.27893	6.6
511.29117	20.6
511.31894	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	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71609	3.4
53.03949	12.1
55.01865	34.7
55.05505	52.8
56.96554	5.5
57.03431	22.0
57.07069	11.2
65.03941	6.6
67.05499	100.0
69.03429	15.8
69.07066	25.0
70.27107	13.6
70.27451	3.8
71.04995	17.3
73.02910	7.2
79.05488	89.6
80.99734	3.4
81.03415	91.6
81.07052	95.9
82.04192	12.3
83.04968	42.9
83.08606	37.3
85.02897	48.8
85.06534	7.6
87.04446	3.5
87.34838	3.8
91.05476	89.2
93.07042	52.1
95.04975	58.1
95.08604	34.8
96.78834	3.2
97.02876	17.7
97.06514	22.7
97.10165	21.1
98.07298	10.2
99.08093	6.0
100.05247	3.6
103.05468	3.4
105.07036	54.3
107.04964	21.6
107.08585	32.1
109.02881	5.2
109.06542	15.6
109.10140	32.4
111.04446	14.5
111.08078	29.6
113.06010	8.4
115.05495	6.1
116.04760	5.7
117.07005	11.3
119.08582	42.3
121.10130	32.3
123.04417	15.0
123.08061	11.0
123.11719	6.9
125.09631	20.2
127.11192	3.4
129.06981	28.6
131.08557	28.6
133.06528	7.0
133.10152	31.1
135.08041	7.7
135.11717	9.7
137.09590	6.8
139.03914	5.4
142.07805	3.6
143.08580	4.9
145.10121	11.1
147.08038	6.4
147.11691	32.2
149.09602	17.9
152.73773	3.7
153.09106	4.1
157.10112	22.8
158.05763	12.0
163.11145	9.1
165.12778	10.4
171.06517	11.5
173.09645	4.5
173.11752	5.3
175.11169	24.6
185.08099	6.9
191.10641	5.3
193.12230	79.4
193.13844	5.6
199.09634	7.4
199.13297	9.1
209.11757	11.1
211.13261	74.2
227.12798	13.5
229.14331	6.5
239.12555	3.9
243.26575	3.6
255.15950	10.9
267.15988	10.9
269.17560	6.0
271.64749	3.5
283.15417	8.8
285.16953	13.0
311.18573	5.7
339.18066	8.3
349.23712	7.2
353.19623	4.4
367.21310	6.4
409.25574	4.9
421.26126	7.9
439.26736	14.1
467.29709	3.8
493.28027	10.5
511.28555	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96519	0.8
64.88506	0.4
69.03371	0.4
70.05419	0.4
70.94628	1.1
79.01853	0.4
85.02881	0.6
97.02863	0.4
127.03820	0.5
134.99600	0.5
137.05927	1.1
147.04333	1.4
153.01833	3.3
179.06839	0.4
185.04160	1.6
187.03700	1.9
189.05414	0.6
237.02721	0.6
246.75783	0.5
247.04465	0.8
265.05490	0.5
347.09381	0.7
349.08908	100.0
350.09106	0.8
367.08417	0.8
511.14224	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	511.1448
Annotation	Mallophenol A
Peak:m/z	Relative Intensity
53.03942	2.0
55.01858	2.8
55.05501	2.3
56.21821	1.6
56.96547	3.4
57.03414	2.5
59.27781	1.3
67.05487	3.5
68.99741	1.3
69.03419	6.3
70.06546	2.5
71.04997	8.0
71.05321	1.4
71.55241	2.1
73.02916	13.3
76.73785	1.5
79.01836	4.5
79.05491	2.3
81.03409	10.2
81.07051	2.3
85.02915	9.4
86.09683	3.0
91.05486	2.9
95.08627	2.1
97.02883	9.6
97.94391	1.7
98.97567	4.6
99.04441	2.5
103.05476	1.7
105.07046	1.7
107.01296	1.6
107.04929	2.8
109.02872	4.9
116.78719	1.4
116.98567	3.3
119.04924	2.2
121.06553	2.1
123.04444	2.0
125.02252	3.5
125.05966	16.6
127.03931	9.2
131.04959	2.7
134.99655	2.8
137.05925	4.9
141.05351	2.0
143.03386	5.8
147.04404	7.2
149.06012	2.6
151.02715	3.1
151.03893	47.0
151.05101	3.8
151.07515	2.8
153.01811	100.0
158.99568	1.9
171.02872	10.5
179.07033	12.7
194.05945	2.1
194.99022	1.5
197.08093	49.1
203.03156	8.8
203.06523	2.9
207.10313	2.0
266.08005	15.6
266.58182	4.0
275.08478	2.1
297.06067	7.0
315.07031	5.7
331.09937	15.9
502.77475	1.7
511.13641	15.9
511.25128	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	510.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17477	3.6
55.05492	15.8
57.03428	9.2
67.05503	49.3
69.07053	13.0
71.65451	3.9
79.05489	48.4
81.07051	45.4
83.04977	9.6
83.08606	12.3
83.95109	3.7
85.02960	4.9
91.05485	34.7
93.07037	59.1
95.04956	11.8
95.08619	21.5
97.06523	5.9
105.07032	24.2
107.08571	18.2
109.10123	8.0
109.32380	3.7
111.08106	4.5
117.06950	4.4
119.08565	11.5
121.10134	9.9
129.07004	10.7
133.10085	10.2
143.08571	9.6
145.10045	7.5
147.11667	18.1
149.13243	10.0
157.10124	6.5
159.11694	8.0
161.13223	6.5
171.11673	14.6
183.11705	5.5
185.13196	4.1
189.12807	5.4
207.13828	19.5
211.14700	3.8
235.06081	4.1
269.17490	35.9
281.17468	36.3
295.46378	5.5
311.70007	3.8
338.27841	6.0
362.08603	4.3
378.46378	4.1
474.34515	4.6
475.30539	100.0
510.36246	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	510.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52260	0.2
55.05513	0.4
56.05035	1.0
57.03429	0.7
57.05804	1.0
57.07075	4.0
65.93368	0.2
67.05509	0.9
69.07079	0.8
70.06589	3.5
70.18066	0.7
71.08265	0.3
71.08628	2.5
72.08151	100.0
73.08521	0.2
79.05476	0.3
79.06594	0.1
81.07056	1.0
83.08613	0.6
85.10174	1.4
89.06064	0.2
89.43687	0.2
90.09189	4.1
95.08604	1.4
97.10188	0.4
98.91953	0.1
107.08615	0.2
109.10161	0.6
127.46220	0.2
170.05763	4.7
173.72134	0.2
244.09448	1.1
331.85846	0.2
341.30475	21.6
492.34503	2.3
510.35400	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01857	2.4
55.05510	1.4
57.03419	4.4
59.04995	11.3
60.04520	1.7
61.02938	5.7
67.05499	5.0
69.03426	15.3
69.07078	2.1
70.06573	1.7
70.93977	2.9
71.04987	19.4
73.02909	2.6
77.03760	1.1
79.05500	7.7
81.03419	4.5
81.07048	25.9
85.02902	75.0
85.17736	1.1
86.09740	2.2
87.04469	1.4
91.03952	2.6
91.05478	6.9
93.07040	12.9
95.04958	5.3
95.08589	4.0
97.02888	19.8
99.04456	4.4
105.07022	5.5
107.08589	15.2
109.02881	6.4
109.06511	8.5
109.10159	20.3
110.07082	1.4
111.08076	6.4
113.40140	1.2
115.03937	1.6
120.08047	2.0
123.08115	2.1
123.11696	33.1
127.03912	20.4
131.04929	2.9
133.10124	14.1
137.05952	3.5
138.06425	1.2
145.04958	27.2
147.04424	2.0
148.11218	7.1
151.07570	2.1
151.11179	100.0
153.01852	1.4
153.12755	2.1
163.06000	13.1
169.12238	29.0
171.11511	1.2
177.09148	1.6
180.04201	1.1
195.07962	1.3
226.86137	1.3
235.02911	1.5
255.10205	1.5
277.14236	1.3
287.05530	2.8
295.15472	3.6
301.14282	2.9
313.16379	7.4
325.11359	5.1
331.17523	10.0
334.02979	1.2
361.02286	20.1
362.02542	1.5
379.03226	11.2
487.05722	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23239	2.1
53.03933	3.0
55.01865	2.6
55.05510	13.3
57.03426	2.4
57.07072	47.0
67.05499	57.6
69.03427	2.5
69.07070	18.4
71.04979	6.0
71.08632	28.1
79.05479	17.0
81.03430	2.6
81.07051	60.7
83.04973	5.9
83.08618	15.5
85.06533	6.1
85.10178	17.0
91.05462	28.6
93.07056	13.6
95.04969	5.6
95.08602	33.9
97.06551	4.5
97.10153	5.1
99.04460	4.7
105.07021	38.2
107.08585	30.7
109.06511	5.4
109.10144	73.6
111.11718	2.4
113.06029	3.3
119.08549	3.4
123.11677	13.3
127.07514	3.7
133.10121	86.2
151.11168	51.2
169.12230	17.7
179.10703	2.8
215.12779	5.8
239.23743	7.5
245.74635	2.1
253.14320	54.4
299.39066	1.9
509.38321	100.0
514.72272	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	510.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	55.5
56.96567	20.4
57.03416	15.6
57.07059	17.4
63.54523	15.2
67.05493	61.9
67.95294	14.2
69.07053	29.2
71.60751	23.4
77.17796	17.4
79.05480	52.3
80.59914	15.2
81.03403	39.1
81.07048	51.8
82.07375	14.9
83.04957	24.9
83.08614	35.7
85.02896	29.2
85.06518	23.5
91.05470	51.0
93.07019	39.6
95.04980	23.4
95.08592	42.5
97.02894	14.7
97.10161	18.9
100.11251	100.0
101.11565	21.1
105.07012	37.9
107.04951	49.1
107.08582	18.9
109.10158	34.4
119.08550	28.0
121.06488	20.6
121.10136	17.1
123.04414	19.2
133.10118	23.8
139.03902	23.7
153.01929	14.6
153.12904	15.5
181.08586	17.3
182.15393	59.9
193.12303	23.1
210.14891	27.2
211.13370	22.7
228.16005	21.4
309.21628	33.8
311.23175	17.1
313.14224	94.8
509.40329	39.7
510.40500	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	509.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.3
55.01865	16.4
55.05509	47.3
57.03430	13.9
57.07055	5.8
61.01223	5.3
65.03946	8.7
67.05502	79.3
69.03419	13.2
69.07075	41.1
69.90434	25.9
71.04994	14.5
71.08617	7.3
79.05492	70.9
81.03418	42.1
81.07056	100.0
83.04974	18.1
83.08609	31.1
85.02901	23.8
85.06541	12.0
91.05480	65.6
93.07043	71.8
95.04963	66.1
95.08604	63.5
97.02892	8.1
97.06544	23.4
97.10164	27.4
98.20789	6.9
103.05444	6.5
105.07005	40.5
107.04971	37.1
107.08598	41.3
109.06531	41.6
109.10130	47.2
111.04450	13.8
111.08084	6.0
111.11731	7.5
117.07014	17.7
119.08599	31.4
121.06479	19.3
121.10132	30.8
123.08051	11.2
123.11714	24.2
125.09621	16.5
125.44347	5.7
129.07027	13.7
131.04868	6.9
131.08557	24.5
133.10129	25.9
135.08072	21.0
135.11696	19.9
137.05936	16.2
137.13252	13.0
143.08618	8.9
145.06500	10.4
145.10114	14.1
147.04381	9.9
147.08096	8.8
147.11684	9.1
149.09651	9.7
151.03886	7.4
151.07539	8.8
151.11201	7.2
153.01709	8.2
155.08496	6.2
159.11615	5.9
161.05908	6.7
161.09653	9.0
163.11195	17.8
167.10684	10.7
167.14252	9.2
175.11220	9.3
177.12796	7.4
189.11232	12.1
193.12239	14.3
194.77739	7.0
195.10167	15.2
199.13339	16.9
205.12418	6.9
209.11710	17.5
211.13257	16.0
219.13823	20.3
223.13306	10.9
225.11327	8.3
227.12758	27.5
267.15973	10.5
277.98959	5.4
283.15463	8.8
293.17526	13.1
293.28308	12.7
316.32224	6.4
341.64063	5.8
349.21527	8.7
367.22641	17.7
373.37946	5.7
385.23685	13.7
403.24893	8.1
459.27332	20.4
477.28555	8.4
491.29962	11.7
509.27042	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.8
53.38511	4.5
55.01862	14.7
55.05267	6.0
55.05513	69.2
57.03426	21.2
59.04987	5.6
61.02909	4.6
65.03932	9.3
67.05503	91.8
69.03428	16.2
69.07071	35.7
71.04999	24.9
71.57168	4.4
71.60424	4.4
79.05492	90.5
81.03414	60.4
81.07055	100.0
83.04991	24.3
83.08627	35.8
85.02921	23.7
85.06554	11.5
91.05476	83.3
93.07043	91.5
95.04965	69.7
95.08591	56.8
97.02882	6.7
97.06537	16.3
97.10179	31.8
98.18470	4.5
99.04470	6.1
103.05475	5.3
105.07027	55.6
107.04943	36.4
107.08601	47.3
109.06532	47.4
109.10144	43.2
111.08051	13.9
117.07007	23.2
119.08575	30.7
121.02859	11.3
121.06495	27.0
121.10128	31.2
122.02843	5.0
123.04389	15.8
123.08042	7.2
123.11713	13.4
125.09661	27.8
129.06989	14.7
131.04886	8.6
131.08591	35.3
133.10129	38.6
135.01624	5.3
135.04430	5.0
135.08063	17.1
135.11662	15.6
137.05974	17.6
137.09554	6.4
139.11150	7.9
141.06992	4.9
142.07852	4.7
143.08537	11.2
145.06474	12.4
145.10124	15.2
147.04471	7.0
147.08061	5.6
147.11717	12.5
149.05923	4.9
149.09616	20.6
149.13222	5.1
151.07603	5.6
151.11169	13.0
153.01884	4.9
153.81396	4.3
155.08546	7.1
157.10118	22.4
159.07947	4.6
159.11699	6.8
161.09610	12.1
163.11160	18.5
167.06984	5.2
167.10692	12.6
169.12302	5.4
173.09573	6.8
175.11176	18.7
179.10721	6.1
181.10110	6.8
189.09178	6.5
189.11206	16.1
191.10654	5.0
193.12276	50.1
199.11092	4.8
199.13293	18.5
205.12247	7.3
207.10197	6.0
209.11713	12.9
211.13306	42.0
215.14226	6.8
219.13792	24.9
223.13412	8.5
225.11140	7.0
227.12796	20.2
233.15474	11.1
237.14824	6.3
249.14752	5.6
267.15884	16.9
273.14642	6.7
273.17181	7.7
293.17471	16.1
346.42929	5.4
349.21646	8.3
367.22672	30.3
385.23630	35.2
403.24677	8.0
459.27463	38.6
477.28769	24.3
491.29733	17.3
509.19757	51.3
509.27689	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.2
53.36359	1.7
55.01867	3.7
55.05512	11.3
57.03429	4.3
61.71460	1.7
65.03943	1.7
67.05498	28.9
69.03417	2.0
69.07068	9.3
71.04990	3.7
71.60051	3.0
79.05488	31.1
80.26262	1.6
81.03399	7.1
81.07053	43.7
83.04984	9.0
83.08601	5.1
85.02904	2.1
85.06518	2.3
91.05472	35.0
93.07033	32.1
95.04975	11.7
95.08614	13.2
97.06529	6.4
97.10168	4.3
103.05419	3.5
104.06280	1.7
105.07024	24.8
107.04964	4.0
107.08583	12.3
109.06517	4.7
109.10141	3.8
111.04425	1.8
117.06997	4.9
119.04900	3.1
119.08589	16.4
121.06475	4.2
121.10138	7.0
123.08050	3.6
123.11709	6.1
128.06166	1.9
129.06992	5.2
131.04904	2.5
131.08594	3.3
133.10117	5.0
135.11670	5.1
143.08589	3.9
145.10115	4.3
147.04405	11.5
147.11679	29.5
149.02345	3.8
149.13234	2.2
161.01311	1.9
161.13258	6.8
163.11160	2.8
165.12766	8.5
167.03397	4.3
171.11723	9.2
176.04684	2.5
177.05444	2.1
178.06229	2.3
183.13867	2.2
189.12779	3.9
193.04980	2.8
207.13846	13.7
215.56244	2.1
217.04933	8.7
227.12871	2.3
229.14355	1.9
237.07549	5.1
243.06526	6.1
255.06433	2.5
256.07281	11.9
267.06595	3.5
267.15936	19.7
271.05991	60.4
272.06711	24.8
281.17444	29.1
283.05945	1.8
285.07443	2.2
285.16959	13.7
299.05508	10.1
300.06268	26.3
300.09387	2.6
301.07001	14.9
311.05444	4.4
313.07288	2.1
327.25577	4.2
341.06543	4.7
355.08139	4.1
491.13391	11.2
491.29865	27.6
509.14410	100.0
510.14633	16.9
510.34021	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	509.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.1
55.01864	16.8
55.05506	65.9
57.03423	18.0
57.07076	6.1
59.04996	12.0
65.03922	6.6
67.05505	89.7
69.03413	11.5
69.07071	28.6
71.04990	30.5
71.05360	4.6
71.05724	9.4
79.05053	6.9
79.05489	99.3
79.32355	4.6
81.03409	45.3
81.07050	100.0
83.04980	19.7
83.08619	35.1
85.02888	12.9
85.06523	12.0
91.05475	67.9
93.07037	77.8
95.04963	80.7
95.08590	44.6
97.02905	5.4
97.06520	16.0
97.10181	39.7
105.07016	40.7
107.04966	43.6
107.08598	46.9
109.06509	57.8
109.10173	27.7
111.04483	7.6
111.08062	11.1
117.07012	27.8
119.08549	26.8
121.06491	29.7
121.10137	52.4
123.04314	4.7
123.08067	13.8
123.11690	9.4
125.09612	41.2
129.06995	17.9
131.04871	6.3
131.08557	39.6
133.06430	8.3
133.10110	23.2
135.08049	30.6
135.11696	9.7
139.03906	7.9
139.11171	6.6
139.55898	4.2
141.06967	7.0
142.07735	5.3
143.08533	7.1
145.06483	15.1
145.10091	23.2
147.08026	11.5
147.11674	16.9
149.05969	6.1
149.09616	25.2
153.09068	5.5
155.08568	8.7
157.10167	13.1
159.08035	13.0
159.11673	8.9
161.09547	5.2
163.11169	23.2
167.10646	25.5
173.13210	6.1
175.07549	5.7
175.11177	11.2
177.12694	5.6
189.11183	24.0
191.14235	9.1
193.12219	16.4
195.11736	7.4
199.13246	31.6
201.12828	6.6
211.13332	14.6
215.14307	7.7
219.13834	35.5
223.13246	11.1
227.12746	27.2
233.15308	29.7
237.14830	8.2
255.13745	9.7
267.16006	15.4
273.14511	7.8
273.16995	19.0
275.16452	11.2
284.55960	4.9
293.17535	28.3
349.21548	17.0
357.24179	8.0
367.22607	48.5
385.23685	53.9
403.24622	16.6
417.26169	12.2
431.28110	6.8
441.26413	11.6
459.27493	62.4
477.28317	50.5
491.30042	27.6
509.30746	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	509.2744
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
52.14150	2.2
53.00299	5.1
53.03947	7.9
55.01860	8.1
55.05509	36.9
56.96550	3.2
57.03441	14.3
59.04984	3.0
60.16443	2.2
61.02926	3.9
65.03929	2.8
67.05500	53.1
69.03416	7.0
69.07053	11.1
71.01337	4.5
71.04975	10.0
71.59243	2.1
71.59612	3.2
73.02924	4.4
76.89667	2.1
79.05487	44.4
81.03417	75.5
81.06572	3.5
81.07053	56.0
83.04973	17.0
83.08145	2.4
83.08620	35.5
85.02899	37.3
85.06526	3.5
91.05476	70.4
92.85275	2.2
93.07037	44.8
95.04967	39.3
95.08604	19.8
97.02895	12.1
97.06528	10.3
97.10139	7.0
99.00826	26.4
103.05481	3.8
105.07030	52.0
107.04962	16.5
107.08586	23.0
109.02901	14.8
109.06510	13.3
109.10139	15.5
111.04457	8.6
111.08069	16.3
113.05960	2.8
117.07007	7.8
119.08578	27.3
121.06511	14.4
121.10136	14.9
123.04417	7.8
123.05229	2.4
123.08050	4.7
123.11707	7.1
125.06023	3.8
125.09619	4.6
127.03908	6.3
128.06180	2.3
129.07033	13.7
131.04892	3.0
131.08571	12.5
131.09517	2.0
133.06505	6.4
133.10124	49.5
133.11086	4.0
135.04471	3.6
135.08093	6.4
135.11678	7.1
137.05965	7.1
137.09555	2.9
139.03888	7.4
139.07512	3.7
142.07761	4.5
143.08578	5.9
145.10097	4.2
147.04416	5.8
147.08011	5.3
147.11671	15.7
147.30772	2.0
149.09621	11.8
151.11172	15.1
153.01839	7.1
157.10114	14.4
161.09628	24.9
163.11195	10.3
165.12708	2.5
171.08070	5.8
175.11179	16.9
179.10628	15.5
189.09111	12.4
189.11205	4.5
191.10599	3.5
193.12233	62.1
194.22075	2.6
197.11646	5.2
207.10196	5.6
209.11684	4.6
211.13264	74.7
219.13853	4.2
225.11203	17.6
227.12836	11.2
255.02847	4.8
267.15863	6.1
269.10809	3.4
281.13864	5.3
283.02368	8.8
283.15485	3.1
299.14890	4.3
313.03583	2.6
407.24518	2.6
461.08704	4.0
473.08701	2.6
491.09952	4.2
491.26477	3.6
509.27426	100.0
509.35013	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	509.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04884	0.9
57.68035	1.0
65.03928	1.5
67.05482	1.7
70.06598	1.7
70.85961	2.4
70.86311	1.1
75.12223	0.9
77.03931	1.1
79.05497	4.0
81.07074	1.8
85.02922	1.2
85.03510	0.9
86.01479	0.9
86.74177	1.0
91.04966	1.2
91.05482	13.9
93.07028	2.3
94.04173	3.9
95.04944	2.0
98.21447	1.1
103.05458	3.1
105.07030	6.0
105.95451	1.0
107.04958	6.8
107.08604	2.3
109.06503	3.2
115.05460	5.3
116.06255	1.2
117.07014	3.9
119.04920	7.5
121.06502	6.1
122.03634	8.4
123.08085	3.4
128.06216	2.9
129.06995	9.2
131.04944	6.6
131.08585	1.8
133.06517	2.0
135.04448	1.3
135.08066	3.9
136.05153	1.4
137.05975	100.0
140.28474	1.1
143.04915	3.8
145.06480	4.1
146.03636	1.8
146.07248	2.5
147.04390	2.8
147.08015	3.5
149.05980	3.9
149.09598	1.3
150.06619	1.3
151.03929	2.2
151.07541	45.1
152.06229	1.4
157.06502	5.5
159.08038	1.2
160.05261	2.5
161.05977	60.3
161.09604	10.0
162.06729	1.2
163.07541	9.7
165.06993	2.1
165.09055	5.3
167.07047	2.5
167.08644	1.5
174.06769	4.6
175.07553	26.4
175.71622	1.0
177.09074	6.4
178.07817	1.4
179.06947	1.5
179.08537	2.3
181.06535	2.0
187.07472	2.1
189.07347	1.5
189.09099	35.2
191.07013	1.6
191.08611	2.1
191.10545	1.1
193.06453	1.4
194.07303	2.3
195.08244	1.8
195.10150	20.4
197.09612	1.6
199.07501	1.1
203.08607	1.3
205.06488	3.7
207.08200	2.5
207.10132	26.6
208.08754	1.7
209.09773	1.6
209.11728	1.5
210.06790	1.9
213.09128	1.6
219.08014	4.5
219.10025	1.2
221.05966	2.1
221.09593	1.1
222.06691	1.6
223.07428	1.7
224.08308	1.4
225.05441	1.1
225.09134	2.7
231.08057	1.7
233.05971	2.2
233.09613	1.4
234.06735	2.6
235.07530	4.6
237.09010	5.1
239.10657	2.6
241.08580	1.8
243.08163	1.2
246.10252	1.9
247.07611	2.7
248.08200	1.7
249.09111	6.0
250.06264	2.5
251.07039	1.6
251.10771	3.5
252.08025	1.5
253.08553	5.9
255.06494	2.8
255.10214	1.7
261.09140	1.9
262.06189	1.8
262.09909	1.1
263.07004	2.5
264.07773	1.6
265.08572	9.8
266.09317	2.3
267.10233	3.9
268.07333	1.9
269.08154	2.4
270.08850	1.5
271.09824	1.2
273.09003	1.7
276.07584	1.3
277.08624	8.2
277.11887	1.8
278.09341	1.8
279.07440	0.9
279.10043	5.5
280.10944	1.7
281.08173	1.7
283.09531	5.0
284.10391	1.9
285.11304	8.9
289.08679	1.2
291.10132	3.5
293.08133	2.3
293.11722	1.6
295.09604	3.9
296.10397	2.0
297.11197	17.4
298.11786	1.2
299.12833	3.9
305.11725	4.1
308.10379	1.8
309.11365	5.5
311.12802	18.4
317.13818	4.4
322.11707	1.3
323.12805	7.1
325.14386	2.0
329.13831	1.6
335.12851	1.7
337.14380	14.8
341.13647	2.1
343.15417	3.3
349.14362	2.7
355.15424	12.3
367.15475	7.6
401.17651	1.6
423.36407	1.1
459.17346	1.1
461.19696	2.1
479.20657	4.6
491.20306	1.7
509.21539	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	509.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79632	1.1
51.90289	1.1
55.01851	1.7
55.24330	1.2
65.03938	1.0
67.05490	1.6
70.85899	2.0
70.86235	2.0
79.05475	3.9
91.05483	14.1
93.07040	2.1
94.04163	4.0
95.04967	3.0
95.08593	1.4
103.05449	3.8
105.07007	5.3
107.04937	5.1
107.08589	1.8
109.06458	3.7
115.05458	6.2
117.07000	3.7
118.04128	1.7
119.04956	8.6
119.08532	1.5
121.02877	1.4
121.06499	6.7
122.03654	9.2
123.04347	1.5
123.08036	4.1
128.06229	2.9
129.07004	8.9
131.04892	4.9
131.08585	2.2
132.05678	1.7
133.06470	3.2
135.04332	1.5
135.08055	3.9
137.05968	100.0
143.04956	2.5
145.06477	4.6
146.03625	2.4
146.07233	3.0
147.04393	2.7
147.08014	3.0
148.05167	2.3
149.05957	3.8
149.09682	1.5
151.03851	2.9
151.07529	44.0
153.01837	1.6
157.06537	5.8
159.08032	1.7
160.05194	1.6
161.05974	63.1
161.09615	10.5
162.06395	1.2
163.07521	8.0
165.06985	5.0
165.09120	5.1
167.07021	3.2
174.06741	4.1
175.07536	26.0
177.05464	1.5
177.09126	6.4
181.06514	2.1
181.08652	1.9
185.06067	1.3
187.07524	4.3
189.07346	2.5
189.09099	39.1
191.07001	1.9
193.06459	1.4
194.07367	1.6
195.08281	2.8
195.10147	21.5
205.06432	3.6
205.08417	2.3
206.07224	2.0
207.08217	2.2
207.10141	32.8
207.12047	2.4
210.06607	1.9
211.07524	2.8
219.08098	4.7
221.05965	3.3
221.09592	1.5
222.06741	2.9
223.07460	1.9
224.08311	1.6
225.09126	3.5
227.07014	2.0
233.06050	2.0
233.09537	1.8
234.06833	3.4
235.07512	3.4
236.08382	1.8
237.09100	6.9
238.09601	1.8
239.10611	2.0
247.07510	2.7
248.08255	2.2
249.09035	5.6
250.06230	1.9
251.06879	1.7
251.10693	3.0
252.07764	2.1
253.08582	6.0
255.06458	2.9
255.10194	1.5
261.09067	1.7
262.06308	2.2
263.10696	1.5
264.07614	2.0
265.08527	11.6
266.09314	2.7
267.10040	4.0
269.07996	2.5
270.08917	3.6
271.09793	2.0
277.08582	9.5
277.11844	2.7
278.09421	2.0
279.10144	6.2
281.07965	1.9
282.08783	1.4
283.09662	5.6
284.10492	1.9
285.11121	7.3
291.10010	1.9
295.09674	5.0
296.10339	2.7
297.11215	19.4
299.12781	4.9
303.04980	7.4
305.11819	2.0
308.10422	2.1
309.11255	4.9
311.12759	19.3
313.10522	1.8
317.13840	4.4
323.12857	7.8
325.14493	2.2
329.13934	1.6
337.14337	14.8
341.13879	2.4
343.15387	1.8
349.14438	4.1
355.15451	16.4
367.15521	9.2
435.18005	1.8
461.19611	2.0
479.20441	5.3
491.20715	2.6
509.21744	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	508.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07605	0.2
55.05514	2.0
56.05032	0.9
57.03446	0.3
57.05809	0.9
57.07069	1.0
67.05507	2.0
69.07063	2.7
70.02105	1.1
70.06590	3.2
71.08614	0.4
72.08154	100.0
73.08494	0.4
78.96505	0.2
79.05505	0.6
81.07063	1.7
83.08615	2.0
90.09192	3.5
90.09707	0.3
91.05471	0.3
93.07051	0.8
95.08623	1.6
97.06541	0.4
97.10164	1.1
98.21474	0.2
107.08617	0.5
109.10154	1.0
112.74364	0.2
118.29041	0.2
121.10130	1.0
135.11697	0.8
142.13092	0.2
144.86009	0.2
170.05772	4.6
173.09315	0.2
185.51009	0.2
243.23969	0.2
244.09543	0.7
326.60690	0.2
332.03326	0.3
339.28937	21.1
340.29529	0.5
358.09253	0.2
369.60376	0.2
490.32941	1.6
508.33737	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	509.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25299	0.9
55.01861	0.8
55.05510	2.1
59.92027	0.8
67.05491	5.7
69.07070	1.3
71.04982	2.1
79.05493	5.2
81.03413	1.4
81.07049	4.3
83.08589	1.0
91.05483	6.2
93.07030	3.9
95.04933	1.1
95.08604	2.0
102.04694	3.3
103.05435	1.3
105.07020	2.6
107.04968	1.7
107.08609	1.8
109.06509	0.7
109.10152	0.9
110.03634	0.7
119.04930	2.5
119.08569	2.0
121.06577	0.7
122.03648	1.0
123.04404	0.8
124.05195	3.7
129.06964	1.2
130.04140	6.2
131.04935	2.2
131.08572	1.0
133.10106	1.3
135.04414	1.8
135.11723	1.4
137.05994	5.3
143.08577	0.8
145.10193	0.9
146.03627	1.7
147.04413	11.2
148.05249	1.3
150.06744	3.2
151.07559	1.0
161.05997	3.1
162.06781	15.8
167.03412	3.8
176.23828	0.8
187.03912	1.0
207.13882	0.9
212.04672	1.2
230.05788	1.9
231.06482	2.4
241.05005	1.3
242.05699	2.1
243.06529	3.2
245.08110	0.9
255.06569	2.4
257.04492	1.8
257.08121	1.2
258.05322	3.1
259.06088	2.5
271.06003	5.6
273.07538	4.1
281.17392	0.9
283.06049	3.3
287.05530	3.1
299.05600	1.6
300.06198	1.0
301.07068	18.3
313.07101	0.8
315.04959	6.5
316.05835	3.0
322.99176	0.8
327.04965	6.7
329.03198	0.8
329.06281	3.9
330.07373	3.3
331.08060	1.5
341.06693	3.1
350.19308	1.0
357.06009	5.5
367.08099	3.0
371.07898	1.7
385.09317	0.9
459.10690	1.9
461.08698	1.8
475.10510	1.1
476.11148	1.2
479.13263	1.7
491.13318	6.8
509.14401	100.0
510.14694	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	508.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62800	0.3
53.03935	0.6
55.01883	0.6
55.05508	17.7
56.05024	0.4
56.40001	0.3
57.03436	9.5
57.05820	0.8
57.07072	9.3
57.29228	0.3
67.05500	14.3
68.05871	0.4
69.07063	27.7
70.06592	2.4
70.06936	0.3
71.04998	0.7
71.08627	4.8
72.08150	67.6
73.04794	0.3
79.05486	6.6
81.06570	0.8
81.07051	16.6
83.04994	0.5
83.08613	18.8
85.06549	1.2
85.10173	2.4
91.05467	1.0
93.07037	8.4
95.04967	0.4
95.08600	17.2
97.06528	2.6
97.10165	10.8
97.10834	0.4
99.08107	0.5
101.06069	0.4
105.07044	0.5
107.08584	6.6
108.28484	0.4
109.10152	7.2
111.08070	1.6
111.11706	3.0
121.10132	8.7
123.11681	2.2
125.09637	0.9
135.11674	5.9
137.13260	0.5
139.11191	0.8
141.56136	0.3
149.13219	3.0
151.14796	0.5
153.12766	0.7
163.14792	0.7
165.16405	0.3
167.14305	0.5
170.05765	56.6
183.76477	0.4
202.53772	0.4
244.09387	0.6
247.24136	1.0
265.25180	1.0
339.28915	100.0
340.29147	2.2
448.98837	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	11.7
62.28685	3.6
65.52521	3.8
66.24362	3.7
69.33940	3.8
70.97295	9.2
71.04987	32.7
74.40930	4.3
77.13260	3.3
81.03415	5.6
85.02893	38.8
92.24059	4.0
111.04438	5.6
115.03917	4.1
129.05487	8.2
137.02332	82.9
137.03325	3.9
146.06027	7.3
147.04367	4.5
153.01791	8.9
153.12711	24.4
155.93279	3.7
164.06943	4.3
164.09204	5.0
165.01868	3.9
208.06017	4.0
209.04543	6.0
225.05437	3.9
226.07010	5.6
229.04990	6.4
273.04044	5.2
275.05298	6.4
285.04041	5.5
299.05447	10.0
301.03519	4.6
303.04907	49.0
312.18942	4.2
316.08148	16.0
326.06558	8.5
327.05008	59.0
344.07642	100.0
345.05856	30.6
362.08597	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	508.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.2
55.05495	3.2
57.03413	3.4
60.39933	2.3
67.05495	5.2
69.03436	4.5
69.07069	6.0
70.00655	7.0
70.01069	5.9
70.06581	3.1
70.93441	2.4
71.04987	15.5
72.08148	2.8
79.05492	2.6
81.03410	5.6
81.07043	14.3
83.08605	4.3
85.02897	23.1
91.05462	3.3
93.07025	6.4
95.08606	10.5
95.76368	2.2
97.02856	2.8
98.20776	2.5
105.06982	2.3
107.08591	7.9
109.02879	3.5
109.10157	8.5
121.06473	3.1
121.10100	3.9
123.11658	4.6
124.03955	15.9
129.05507	3.0
130.78998	2.3
132.39566	2.5
135.11635	2.8
137.02313	32.2
137.05923	5.4
138.06340	2.5
141.54527	2.4
146.08026	3.1
149.13229	3.9
151.07521	3.3
153.01799	25.0
164.07010	2.8
175.11107	2.9
229.04881	2.8
235.17831	2.4
268.08093	5.2
271.06250	4.3
273.03979	3.3
286.09128	7.4
292.27234	3.1
299.05362	4.4
303.04977	24.4
316.08136	5.0
319.04355	2.4
326.06296	3.2
327.05048	27.4
329.06696	4.2
344.07593	42.9
345.05838	13.5
346.09644	3.7
362.08664	15.7
377.01895	6.9
395.02298	3.0
490.13077	3.6
508.18652	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	507.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73612	2.6
55.01891	2.9
55.05507	15.2
56.04532	2.6
57.03435	4.3
57.07077	45.4
57.52052	2.5
62.13478	3.0
67.05503	65.0
69.07062	28.2
71.04994	4.5
71.08625	33.4
79.05491	29.2
81.07049	73.5
83.04977	4.8
83.08613	28.5
84.92889	2.6
85.10191	15.2
91.05472	14.2
91.59335	2.7
93.07037	41.9
94.08070	2.5
95.05016	5.0
95.08600	48.2
95.09159	3.9
97.06533	8.8
97.10175	9.4
105.07034	10.9
107.08601	21.0
109.10168	18.5
111.08126	5.0
111.11768	3.5
117.07015	6.1
121.10136	8.4
123.11706	5.9
131.08582	5.6
133.10129	8.5
135.11702	10.1
137.13313	3.8
137.85390	3.3
149.13243	24.2
159.11700	9.0
161.76933	2.8
177.12770	5.3
195.13847	15.2
213.14812	3.3
221.22461	3.7
229.14395	3.8
239.23792	6.8
505.41391	3.3
507.40445	100.0
508.40936	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	507.404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70446	0.9
53.03935	3.3
55.01853	2.0
55.05504	17.0
57.03434	5.2
57.07072	45.7
65.03941	2.2
67.05501	59.7
69.07063	26.5
69.93592	4.8
71.04987	3.7
71.08627	31.7
79.05489	26.2
81.03415	1.9
81.07053	78.9
81.87044	1.1
83.04978	4.4
83.08618	21.7
85.06538	3.7
85.10174	15.7
91.05479	12.9
93.07034	41.2
95.04968	5.3
95.08598	40.2
95.70199	0.9
97.06525	7.3
97.10172	7.1
98.09350	0.9
98.21455	2.1
99.08088	2.7
105.07039	5.9
107.08582	22.0
109.06544	1.8
109.10149	16.4
111.08076	6.5
111.11712	2.1
117.07008	3.8
119.08580	1.8
121.10130	13.1
123.11694	7.4
125.13227	2.0
126.48373	1.0
131.08553	5.8
133.10147	3.6
135.11694	6.2
137.13278	2.8
139.11212	1.6
149.13252	30.7
159.11668	12.3
177.12764	7.0
195.13812	10.3
213.14803	1.4
221.22633	2.1
228.61066	1.1
239.23714	9.3
253.29884	1.0
313.26974	1.1
332.20685	0.9
507.40421	100.0
508.40683	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.9
55.05507	36.3
57.03423	8.1
57.07049	5.7
57.22795	2.8
67.05500	100.0
67.37605	2.4
69.07063	19.8
69.88129	2.9
71.08640	4.0
71.59454	3.3
77.79448	2.6
79.05051	4.1
79.05472	31.4
81.07047	68.7
83.08607	18.6
85.06576	2.8
85.10188	3.8
91.05465	26.0
93.07041	41.6
95.04960	7.3
95.08603	51.8
97.06554	6.4
97.10185	19.1
105.07016	19.4
107.08585	32.0
109.10155	52.5
117.07034	4.6
119.08546	20.6
121.06461	3.2
121.10146	19.1
123.11679	14.0
125.09589	15.5
131.08588	16.3
133.10110	16.2
135.07999	3.8
135.11673	11.2
143.08594	3.6
145.10135	11.4
147.11674	10.9
149.13232	10.2
157.10167	4.4
159.11679	7.1
159.28154	3.0
161.13263	4.7
163.14789	4.8
171.11769	4.4
173.11696	16.6
173.13167	7.4
175.14847	3.7
177.16377	3.6
187.14806	4.7
189.11176	10.3
195.00294	7.9
211.14813	3.4
227.12704	10.4
229.14311	25.1
232.22958	2.9
243.21011	3.6
261.22070	22.6
263.23798	3.3
335.25735	19.5
397.30862	11.5
415.31873	6.8
433.33075	8.2
448.55319	3.3
471.34641	8.4
489.35745	42.1
507.36526	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	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01870	2.8
55.05258	1.9
55.05507	27.2
57.03439	6.4
57.06824	1.6
57.07076	20.4
59.05007	2.8
65.03933	3.7
67.05501	100.0
69.07068	22.4
69.40968	13.1
71.04984	5.0
71.08628	15.1
79.05487	32.1
81.03407	3.0
81.07053	83.5
83.04974	1.8
83.08609	23.1
85.06537	3.4
85.10180	7.1
89.69977	1.4
91.05477	23.6
93.07039	41.7
95.04951	5.4
95.08600	50.8
97.06525	5.4
97.10162	17.9
99.08115	1.6
105.07031	17.0
107.08588	25.7
109.06470	2.7
109.10151	54.6
111.08085	4.8
111.11726	2.0
117.07011	9.9
119.08578	16.2
121.10136	15.9
123.08087	2.6
123.11729	13.6
125.09646	10.1
129.06984	1.9
131.08557	12.8
133.10107	15.7
135.08023	3.3
135.11684	15.6
137.09570	2.3
137.13240	3.3
139.11157	1.9
143.08559	2.6
145.10121	8.7
147.11691	10.4
149.09561	1.6
149.13254	16.0
151.11206	1.6
153.09103	1.8
155.10599	1.9
157.10182	2.0
159.11661	10.7
161.13295	6.8
163.14790	2.6
171.10214	1.6
171.11623	2.9
173.11725	14.1
173.13271	6.0
175.14813	4.4
177.12782	4.1
177.16296	1.5
185.13231	2.0
187.14772	2.9
189.11180	7.6
195.13768	5.5
197.70380	1.4
227.12770	11.4
229.14307	26.0
239.23672	4.3
243.20979	4.6
259.20474	2.6
261.22128	22.5
262.42593	1.4
279.23257	1.8
299.23740	2.0
317.24738	3.5
333.24237	1.5
335.25809	16.8
345.73874	1.5
351.25192	1.6
379.29944	5.0
380.04581	1.8
397.31039	9.6
415.31906	8.0
417.29947	1.6
433.32962	5.3
443.33435	1.7
471.34473	3.8
489.35669	35.2
507.40009	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18052	1.3
53.03939	3.5
55.01867	2.2
55.05256	2.1
55.05508	29.7
55.47993	1.3
57.03441	6.3
57.07070	22.0
58.50479	1.2
59.04982	2.8
65.03938	4.2
66.19422	1.2
67.05499	100.0
69.07063	22.3
69.25202	3.4
69.25606	10.8
70.07964	1.1
71.04985	4.1
71.08626	14.6
79.05491	35.6
81.03426	3.5
81.07053	85.2
83.04983	3.8
83.08614	21.1
85.06528	5.9
85.10190	7.5
91.05473	23.8
93.07039	40.7
95.04967	5.8
95.08600	47.6
97.06520	5.7
97.10162	16.5
99.08009	1.2
103.55657	1.2
105.07013	15.6
107.08595	27.6
109.06470	1.8
109.10148	54.9
111.08073	5.1
111.11727	2.5
117.07022	7.0
119.08577	14.4
121.10129	15.3
123.08096	1.7
123.11703	11.6
125.09615	8.6
129.07040	1.9
131.08574	12.8
133.10129	14.9
135.08073	1.5
135.11671	12.3
137.09616	2.2
137.13275	4.0
143.08551	3.2
145.10153	8.7
147.11632	6.1
149.13249	13.8
151.11223	1.5
155.10669	2.0
157.10103	2.1
159.11676	11.0
161.13251	4.1
163.14842	2.8
171.11632	2.2
173.11722	11.5
173.13240	5.9
175.14862	1.8
177.12733	2.3
185.13182	2.2
187.14914	3.3
189.11253	6.7
195.13805	4.6
199.14835	1.7
213.14847	1.5
227.12825	8.6
229.14313	28.0
231.15765	1.8
239.23587	2.9
243.21146	3.6
259.20615	2.0
261.22116	15.1
267.30646	1.4
275.19754	1.4
279.23154	2.0
317.24750	4.1
333.23938	1.4
335.25815	15.3
379.29977	2.6
397.31131	5.6
415.32037	5.7
433.33191	5.0
471.34625	3.5
489.28943	2.0
489.35754	26.9
507.40042	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3676
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
55.01866	3.9
55.05507	36.3
57.03423	8.1
57.07049	5.7
57.22795	2.8
67.05500	100.0
67.37605	2.4
69.07063	19.8
69.88129	2.9
71.08640	4.0
71.59454	3.3
77.79448	2.6
79.05051	4.1
79.05472	31.4
81.07047	68.7
83.08607	18.6
85.06576	2.8
85.10188	3.8
91.05465	26.0
93.07041	41.6
95.04960	7.3
95.08603	51.8
97.06554	6.4
97.10185	19.1
105.07016	19.4
107.08585	32.0
109.10155	52.5
117.07034	4.6
119.08546	20.6
121.06461	3.2
121.10146	19.1
123.11679	14.0
125.09589	15.5
131.08588	16.3
133.10110	16.2
135.07999	3.8
135.11673	11.2
143.08594	3.6
145.10135	11.4
147.11674	10.9
149.13232	10.2
157.10167	4.4
159.11679	7.1
159.28154	3.0
161.13263	4.7
163.14789	4.8
171.11769	4.4
173.11696	16.6
173.13167	7.4
175.14847	3.7
177.16377	3.6
187.14806	4.7
189.11176	10.3
195.00294	7.9
211.14813	3.4
227.12704	10.4
229.14311	25.1
232.22958	2.9
243.21011	3.6
261.22070	22.6
263.23798	3.3
335.25735	19.5
397.30862	11.5
415.31873	6.8
433.33075	8.2
448.55319	3.3
471.34641	8.4
489.35745	42.1
507.36526	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	507.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.4
55.05513	16.2
56.96552	10.0
57.07072	12.4
61.02912	5.4
67.05495	25.8
69.03429	13.4
69.07070	38.5
71.04985	5.7
71.08630	8.5
71.60506	7.3
75.74432	4.7
79.05476	16.3
81.03423	6.7
81.07054	100.0
83.08611	20.2
85.02899	27.2
85.06547	5.3
91.05468	16.3
93.07033	32.8
95.04984	5.2
95.08613	78.3
97.02869	10.7
97.06522	10.5
97.10191	6.7
98.97578	7.6
99.08093	10.0
103.05446	6.1
105.07014	17.4
107.08603	34.1
107.29415	4.0
109.10142	45.9
111.08070	16.8
111.11736	6.6
116.98572	4.5
119.04917	6.9
119.08584	9.5
121.10145	21.9
123.07970	4.7
123.11718	35.8
127.03945	7.5
127.11137	5.2
131.04912	9.0
133.10098	12.4
135.04428	4.5
135.11667	27.0
137.02333	7.5
137.05974	27.2
137.13246	25.4
147.04411	14.4
147.11699	12.1
149.13255	15.4
153.01817	13.7
153.05489	4.6
153.12750	14.4
161.05980	6.2
163.03925	6.1
163.14885	6.6
165.12729	10.5
181.05034	6.6
181.72279	5.3
191.17935	5.7
205.00041	4.8
205.19453	5.3
222.43076	5.0
273.15387	9.0
273.25772	6.0
273.65448	6.5
279.26672	8.9
291.26749	25.7
299.07861	5.5
309.27884	16.2
366.72260	6.1
459.14487	7.3
500.58289	4.5
503.75565	4.9
507.18213	30.1
507.26114	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	507.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33739	4.3
53.39185	4.3
55.05516	28.0
56.96566	5.4
57.03428	8.5
57.07062	16.1
58.89363	4.3
60.03636	4.4
67.05505	36.9
69.03422	11.5
69.07063	49.9
70.58475	4.8
71.04983	13.3
71.08625	7.1
73.02920	5.2
79.05494	33.0
81.03406	13.3
81.07054	100.0
83.08607	24.1
85.02911	22.1
85.06547	12.7
88.34293	4.8
91.05479	21.7
93.07043	35.7
94.47781	5.5
95.04940	11.2
95.08605	77.1
97.02872	6.4
97.06535	18.7
97.10173	10.0
98.97605	5.8
99.08073	10.1
105.07025	21.1
107.04980	6.0
107.08586	39.5
109.02839	6.9
109.06533	5.6
109.10155	52.3
111.08065	20.8
111.11704	12.5
113.09627	5.5
117.19318	4.5
119.04894	5.1
119.08583	14.9
121.10146	26.2
123.11694	39.7
125.09567	6.5
127.03903	5.7
131.04913	8.6
133.10144	15.3
134.99615	6.4
135.11711	28.1
137.02307	12.1
137.05989	31.0
137.09624	5.5
137.13275	29.4
147.04382	20.2
147.11696	11.3
149.05997	6.0
149.13263	28.4
151.03917	5.2
151.14775	9.8
153.01822	13.5
153.12698	14.5
155.14294	9.7
161.05992	12.4
161.13187	5.9
163.03819	5.6
163.07558	7.0
163.14838	11.7
165.12723	13.7
165.16435	5.5
167.07135	6.5
174.46404	4.3
175.07608	6.6
175.14870	8.9
177.05507	7.3
177.16455	8.6
181.04874	5.9
187.07536	6.0
209.11896	5.0
217.19675	6.6
273.25906	10.2
279.26685	8.8
282.16107	6.8
291.26895	27.8
309.27850	18.5
355.05859	6.3
355.21445	5.1
413.15704	7.5
494.12509	5.3
507.18527	88.8
507.26474	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	507.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61572	2.5
51.14331	2.5
53.03944	9.6
55.01864	21.3
55.05503	35.3
56.37855	2.4
57.03422	7.4
57.07062	10.9
58.06594	9.2
59.06897	3.1
65.03941	4.9
67.05499	90.1
69.03425	8.2
69.07067	20.1
71.04987	8.5
71.08592	2.8
73.02909	2.8
79.05488	100.0
81.03416	27.5
81.07052	62.5
82.04193	10.2
83.04974	29.3
83.08609	9.7
85.02885	5.1
85.06541	5.6
88.52551	3.0
91.05473	80.9
93.07040	79.6
95.04964	43.1
95.08600	34.7
95.59941	2.6
97.02889	5.2
97.06526	11.2
97.10158	5.6
98.07314	7.8
98.20679	4.3
105.07018	54.7
107.04943	20.9
107.08585	27.3
109.06522	9.9
109.10147	24.8
111.04450	9.8
111.08085	10.3
115.05466	4.0
117.07009	19.7
119.08580	39.6
121.06517	9.0
121.10150	14.4
123.08045	8.5
123.54836	2.7
125.09627	6.2
129.07011	17.7
131.08571	11.5
133.10080	16.5
135.08044	4.0
135.11682	14.3
137.05989	3.2
143.08562	12.3
145.10098	14.2
147.08044	4.6
147.11678	39.9
149.05893	2.8
149.09586	5.3
153.12727	3.9
157.10107	3.0
158.05782	3.4
159.11734	2.9
161.09729	3.9
161.13243	10.0
163.03903	4.4
163.11174	10.9
171.06500	5.7
171.11665	26.6
173.09654	3.2
173.11737	3.5
173.13205	3.2
178.13605	3.1
181.08569	3.0
181.12204	5.7
189.12723	9.5
191.10645	4.5
192.39554	2.5
207.13777	29.3
225.14848	4.6
227.12750	7.7
255.15898	3.1
281.17520	12.3
283.15381	14.5
295.09595	4.1
313.85931	3.1
327.12109	7.1
335.18478	6.2
335.25925	3.1
359.38992	3.0
384.56171	3.1
406.27240	3.1
418.07736	2.6
435.27335	9.6
457.86667	3.3
489.28720	10.1
507.29138	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80647	4.2
53.03947	3.7
54.51978	3.8
55.05498	15.1
56.96569	4.7
57.07067	8.5
61.65863	3.8
67.05498	29.4
69.03420	11.7
69.07063	37.7
69.89972	3.6
70.25804	12.2
70.26203	9.2
71.04979	4.3
73.02896	5.0
74.55820	3.8
79.05470	19.3
81.03381	7.2
81.06580	5.7
81.07055	100.0
81.72025	3.9
83.08610	13.7
85.02909	24.1
85.06522	16.1
86.09690	22.7
89.63040	3.5
91.05453	11.7
93.07031	29.5
95.04969	8.5
95.08599	75.5
97.02878	11.3
97.10168	12.4
98.97591	5.9
99.08038	7.9
105.07010	8.1
107.05009	4.2
107.08587	26.7
109.10152	68.0
111.08071	6.2
111.11691	13.9
119.04927	4.8
119.08564	8.7
120.08078	9.6
121.10201	19.3
123.04394	5.9
123.11691	37.5
125.09594	5.4
127.03906	10.3
131.04956	5.5
133.10120	5.7
135.11690	31.2
137.05959	26.8
137.13235	11.3
139.03888	4.6
147.04378	11.7
147.11606	5.8
149.06081	4.7
149.13264	37.5
153.01794	26.7
153.12735	4.2
161.13297	5.7
163.03905	9.4
163.07535	7.2
163.14795	18.4
167.07089	4.9
167.14227	5.4
177.16318	8.8
189.09157	5.1
191.17981	8.3
198.65529	4.4
202.25925	4.5
205.19504	6.1
216.65596	4.3
217.19469	7.2
243.10239	4.4
256.55621	4.6
261.15808	4.4
273.25836	7.4
279.26825	8.8
291.26859	45.2
303.04990	35.4
309.27805	41.8
327.08368	12.9
327.28574	5.7
345.06000	7.7
345.09561	11.9
411.16907	6.8
413.15887	4.7
507.18134	43.8
507.28345	37.8
508.18976	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	507.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01859	1.0
55.05261	0.4
55.05510	7.2
56.05058	0.4
57.03435	2.6
57.07072	0.8
59.05003	0.4
59.29649	0.5
65.03929	0.5
66.52272	0.3
67.05501	12.5
67.05862	0.6
69.03410	0.4
69.06721	0.7
69.07064	9.4
71.04976	1.6
71.21571	0.4
71.21896	0.5
79.05058	0.6
79.05490	7.2
80.06783	0.3
81.03414	0.8
81.06571	0.6
81.07053	12.9
83.04971	1.2
83.08614	5.4
85.06513	0.9
88.63059	0.3
89.03924	4.1
91.05470	4.7
93.07034	6.7
94.09189	0.4
95.04959	1.7
95.08602	10.9
97.02870	0.5
97.06514	1.9
97.10174	3.9
105.07027	3.8
107.04949	1.8
107.08597	3.5
108.30558	0.4
109.06523	0.5
109.10155	4.8
111.04466	0.7
111.08064	1.1
111.11694	1.7
117.03365	5.6
117.07020	0.7
117.43624	0.4
119.08583	2.3
121.02846	1.3
121.10131	4.3
123.08024	0.6
123.11691	1.6
125.09624	0.9
125.13268	0.4
128.06197	0.4
129.07001	0.6
131.08563	0.8
133.10149	2.6
135.04411	14.6
135.11685	3.9
137.09625	0.8
137.13246	0.9
139.11165	0.9
145.01735	0.8
145.02834	10.8
145.10138	0.7
145.97816	0.5
147.11713	2.2
149.13242	0.9
151.11182	0.7
151.14799	0.5
153.12823	0.7
161.13229	1.5
163.03894	100.0
163.11165	0.7
164.04178	0.9
165.12672	0.7
171.11626	0.5
174.28236	0.4
175.14825	0.5
179.14223	0.6
181.03357	0.7
181.04948	10.4
186.05568	0.4
191.10635	0.6
207.13838	0.6
209.11745	0.7
217.19456	3.2
227.12703	0.9
235.20598	3.6
237.07594	1.5
253.21632	1.1
283.15414	1.2
309.24252	2.7
327.25262	17.1
339.35507	0.4
489.28302	1.5
492.76041	0.4
507.28397	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	507.1863
Annotation	4,6,2',4'-Tetramethoxychalcone 2'-beta-glucoside
Peak:m/z	Relative Intensity
53.03936	0.3
55.01855	0.3
55.05491	0.7
57.03433	0.3
61.02911	0.6
65.03907	0.3
66.11226	0.3
67.05482	1.0
69.03414	1.4
69.07040	0.4
69.38992	2.0
71.04946	0.4
73.02909	0.4
79.05486	1.3
81.03410	1.3
81.07059	1.3
83.01322	0.6
83.04950	0.3
83.08616	0.4
85.02901	2.7
87.04436	0.2
91.03901	0.3
91.05456	1.6
92.15325	0.3
93.07066	1.2
95.04948	1.2
95.08580	1.0
97.02904	1.5
97.06496	0.4
97.10159	0.3
105.07008	1.0
107.04946	1.2
107.08588	0.7
109.02866	0.5
109.06474	0.7
109.10166	0.4
111.04456	0.2
111.08047	0.3
117.03399	0.6
117.06992	0.4
119.04960	0.4
119.08598	0.4
120.05693	0.3
121.06471	0.9
121.10117	0.4
123.04426	2.8
123.08025	0.9
125.05991	1.2
127.03889	0.8
131.08501	0.4
133.06421	0.2
133.10118	0.3
135.04398	1.2
135.11652	0.3
137.02390	0.2
137.05977	1.5
138.06738	1.1
139.03883	0.3
139.07549	0.7
141.19377	0.3
145.02859	0.4
145.04875	0.3
147.04390	1.0
147.11671	0.4
148.05081	0.5
149.05936	0.6
151.03917	0.6
151.07500	0.9
153.05464	6.7
153.09050	0.6
163.03886	3.0
164.04694	0.5
165.05479	0.9
166.06239	1.8
167.06979	0.3
176.04713	0.4
177.05414	0.6
179.03384	0.6
179.07065	2.7
181.04912	2.0
181.08591	0.8
193.12259	0.5
193.16142	0.2
194.05727	3.9
195.06531	0.8
209.08076	100.0
210.08412	0.4
212.06790	2.2
214.47949	0.3
227.09123	0.7
227.12735	0.5
257.08359	0.3
283.02237	0.3
285.11234	0.3
316.13477	0.3
345.13306	52.7
368.34576	0.3
383.22330	0.4
480.06018	0.3
507.18655	0.4
507.28906	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01847	0.6
57.03433	1.5
61.02933	1.5
67.05499	1.0
69.03426	5.7
69.47082	2.1
69.47510	3.6
71.04972	0.7
78.42486	0.6
79.05487	3.0
81.03416	2.6
81.07050	1.9
83.01339	1.3
84.56262	0.7
85.02903	19.6
87.04482	1.2
88.23386	0.8
89.45042	0.6
89.98295	0.6
91.05488	2.6
93.07050	1.9
95.04961	2.4
95.08605	1.0
97.02879	2.8
98.01261	0.7
99.04459	1.1
105.07025	1.4
107.04954	100.0
109.02882	2.1
112.57497	0.7
117.07038	0.8
119.04942	1.1
121.02928	1.4
121.06513	2.0
123.04444	2.6
127.03918	3.5
129.07031	0.8
131.04947	1.2
133.06523	0.8
135.04448	1.5
135.08072	2.2
137.05988	2.3
137.09624	3.9
145.04950	1.3
147.04410	1.7
147.08086	1.1
149.05963	1.3
151.07545	2.5
153.05489	2.3
165.05467	1.1
165.09113	40.4
166.06329	0.8
173.05986	0.9
177.05496	0.9
177.09064	3.9
179.07034	0.9
181.04950	1.0
181.08559	0.9
183.10167	8.4
193.05067	1.0
194.05612	0.7
195.06531	1.5
195.08165	1.1
197.09683	1.2
205.08612	9.8
205.18935	1.0
208.07379	1.5
209.08089	40.4
223.09676	1.0
224.08379	1.1
225.09268	1.4
227.09132	1.7
239.10709	1.1
241.08443	1.4
251.09192	2.3
253.08586	25.5
267.10236	1.7
268.10947	40.1
269.08078	28.4
271.13251	9.7
283.09695	1.8
283.13290	0.8
284.10428	34.6
285.11066	1.0
297.07529	0.8
298.12012	1.1
299.12772	77.7
300.13260	0.8
327.12247	33.8
345.13324	33.8
461.18088	1.7
489.17624	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	507.1131
Annotation	Quercetin-3-O-glucose-6''-acetate
Peak:m/z	Relative Intensity
50.71507	0.4
53.03935	1.2
55.01860	0.4
57.03430	1.1
61.02910	1.4
67.05495	0.7
68.99784	0.5
69.03426	4.1
69.07056	0.7
69.92232	0.4
71.00420	1.1
71.01319	0.4
71.04972	1.0
73.02911	2.8
73.49790	0.4
80.35118	0.3
81.03417	4.0
81.07033	1.3
85.02903	7.2
85.06551	0.5
85.48742	0.4
93.07021	0.8
95.04960	0.5
95.08563	0.9
97.02879	3.1
99.04444	1.5
103.03896	0.4
107.08560	0.6
109.02873	2.6
109.10133	0.8
111.00808	0.9
121.02871	1.0
123.08086	0.4
123.11674	0.7
127.03918	5.5
133.04982	0.6
133.10095	0.6
135.11690	0.5
137.02339	3.3
145.04942	2.3
147.04375	0.5
149.02426	0.6
153.01823	3.6
163.03885	1.0
165.01819	2.3
173.05968	0.7
183.02963	0.7
186.14304	0.5
187.06042	3.0
201.05428	2.0
205.07053	1.2
229.04947	3.5
247.06053	0.6
257.04462	2.1
274.04715	1.1
285.03925	1.1
291.27032	0.5
295.13144	0.5
303.04974	100.0
304.05307	1.1
309.27887	0.9
345.06000	0.8
420.17746	0.4
507.17722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56258	0.3
53.03925	1.1
57.03411	0.4
57.86961	0.3
67.01842	0.8
68.99783	0.4
69.03424	1.9
71.04977	0.6
79.01850	2.0
81.03411	4.7
81.07046	0.7
85.02904	2.9
91.05455	0.7
95.08605	0.4
97.02364	0.4
97.02890	4.4
98.21502	0.8
99.04428	1.0
107.01286	1.0
109.02869	2.8
114.77224	0.3
116.93945	0.3
119.04916	0.4
120.08080	0.3
125.02370	2.0
125.05984	0.5
127.03917	4.0
137.02324	1.2
137.05956	1.0
143.03381	3.0
145.04929	0.9
147.04393	1.0
151.03899	0.6
153.01819	52.7
169.04897	0.6
171.02881	5.9
172.24280	0.3
193.04948	100.0
194.05389	0.6
195.02786	0.4
235.06000	0.6
262.00247	0.3
297.06033	4.5
299.05655	0.4
302.03964	0.6
303.05002	3.6
315.07312	1.6
316.05621	0.5
327.04932	0.4
345.05984	7.4
507.31522	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	507.1133
Annotation	Quercetin 3-(6''-acetylgalactoside)
Peak:m/z	Relative Intensity
53.03941	2.6
55.01859	0.7
57.03421	0.8
61.02906	0.8
68.99777	0.6
69.03425	8.6
69.58804	1.4
69.59211	0.4
71.04971	0.8
73.02903	1.0
76.08032	0.2
77.14661	0.2
81.03413	11.1
81.07035	0.3
83.01350	0.3
85.02898	4.9
93.03326	0.4
95.04987	0.3
95.08614	0.3
97.02874	4.3
98.20722	0.3
99.04456	2.0
99.47500	0.2
109.02871	9.5
111.00800	0.8
115.03929	0.3
121.02844	1.5
121.10071	0.3
127.03914	6.2
135.11707	0.3
137.02345	3.0
141.92001	0.2
145.04944	1.4
146.57286	0.2
153.01822	3.9
154.46869	0.2
159.04399	0.3
161.06081	0.3
163.03841	0.5
165.01851	2.1
173.05998	0.6
181.59296	0.2
183.02898	0.8
183.04378	0.3
187.04280	0.3
187.06001	7.3
195.02864	0.3
201.05502	1.9
205.07039	0.3
219.02745	0.2
219.06438	0.3
229.04939	4.2
247.06029	0.8
257.04370	2.7
274.04776	0.7
285.03940	1.0
289.93799	0.2
291.26672	0.3
303.04968	100.0
304.05408	1.2
345.05798	0.7
484.70917	0.2
507.18466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37415	0.3
55.05498	1.2
56.05032	1.0
57.03424	0.6
57.05807	1.0
67.05504	3.7
69.07057	1.6
69.94456	1.5
70.06584	3.5
72.08150	100.0
73.08485	0.8
76.84032	0.2
79.05491	0.8
81.07056	3.8
83.08614	1.1
87.50494	0.3
90.09180	3.9
90.59561	0.2
91.05487	0.6
93.07041	0.8
94.44767	0.2
95.08601	2.6
97.10128	0.4
98.20795	0.4
105.07040	0.7
107.08598	0.8
109.10155	1.0
116.55524	0.3
119.08559	0.4
121.10133	0.6
123.11742	0.5
133.10182	0.3
170.05777	4.1
244.09564	0.8
319.26184	0.4
337.27328	17.7
338.27798	0.5
345.58002	0.3
372.16940	0.3
395.82437	0.3
449.11313	0.4
488.31516	1.9
506.32565	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	506.324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14295	0.3
52.40001	0.3
53.03942	0.7
54.59982	0.3
55.01860	0.6
55.05509	13.9
56.05016	0.3
57.03436	8.4
57.05809	0.5
57.07071	1.7
58.61776	0.3
61.46521	0.3
63.89053	0.3
65.03938	1.1
67.05502	29.6
69.03423	0.3
69.07064	18.4
69.95813	0.7
69.96227	1.1
70.06587	1.8
71.04990	0.7
71.08630	0.8
72.08151	62.8
79.05051	0.6
79.05489	8.3
81.07052	29.8
83.04971	1.1
83.08617	9.0
83.09113	0.6
85.06537	1.2
85.10139	0.4
85.14587	0.4
91.05477	5.3
93.07037	8.9
95.04957	0.7
95.08600	21.0
97.06515	1.5
97.10159	4.6
99.08073	0.6
105.07033	3.7
107.08573	4.2
109.06528	0.4
109.10147	7.4
111.08073	0.7
111.11723	1.0
119.08578	3.0
121.10137	3.9
123.08076	0.5
123.11708	3.5
125.09624	0.7
133.10120	2.7
135.11671	2.1
137.09613	0.4
137.13249	1.0
147.11615	1.9
149.13266	0.8
151.14787	0.5
153.12766	0.4
161.13264	1.4
163.14812	0.4
165.12660	0.4
170.05766	55.2
175.14848	0.7
244.09492	0.9
245.22633	0.6
263.23648	1.0
337.27344	100.0
338.27765	0.8
396.30157	0.3
464.33670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
57.03436	8.2
57.37426	1.2
60.04514	1.1
61.02919	1.8
67.94076	1.1
69.03071	2.2
69.03425	28.7
69.30952	12.1
71.15108	1.2
71.24826	1.1
73.02901	1.6
75.04501	1.4
79.05527	1.1
81.03400	2.3
85.02900	21.1
87.04459	16.0
91.05472	3.1
92.69862	1.0
93.07042	1.9
95.04955	1.2
97.02886	20.1
98.20776	2.1
98.97540	1.3
99.14183	1.0
105.07009	1.3
107.04955	2.1
109.02846	1.4
109.06606	1.0
112.30804	1.3
115.03922	25.6
119.04964	3.3
122.03638	2.2
123.37140	1.0
127.03899	4.8
131.04971	1.1
131.08549	1.8
133.04953	25.0
133.06458	1.9
137.05977	100.0
138.06364	1.1
139.03856	1.2
145.04959	2.4
147.04416	5.1
150.07608	4.7
151.07584	3.0
153.00850	1.3
153.01871	12.3
159.07986	3.3
163.03883	1.5
174.05511	3.5
177.05452	1.9
177.09108	2.1
179.07018	7.4
187.07600	1.3
189.09084	4.1
191.10670	8.8
192.06593	1.5
195.10141	9.3
203.07008	2.8
219.10156	4.4
226.98535	2.2
237.11235	2.8
243.10378	2.5
255.10120	3.4
259.08060	1.5
266.06024	1.3
273.11276	7.8
387.15356	1.4
506.23083	2.1
506.32867	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.01870	0.4
57.03425	0.7
61.02911	1.4
65.03944	0.3
69.03423	2.3
71.05607	0.3
71.05918	0.4
73.02913	0.4
81.03429	1.2
83.01310	0.2
85.02898	11.0
87.04439	0.4
91.03937	0.5
91.05470	5.4
91.06007	0.4
97.02894	2.9
99.04485	0.5
102.78996	0.3
109.02876	1.2
119.04932	18.0
123.04426	0.9
127.03893	2.3
143.05013	0.2
145.04953	3.4
147.04398	100.0
148.04755	0.5
153.01849	0.5
162.07619	0.4
163.06056	1.4
165.05461	49.0
180.08661	1.1
192.06203	0.3
221.08252	0.3
226.98604	0.4
234.84544	0.3
309.09445	0.5
344.13324	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
53.24154	0.9
56.52586	0.9
56.96554	1.4
57.03418	2.6
61.02919	5.7
69.03419	10.7
69.96397	4.7
71.01400	0.9
73.02900	1.8
81.03412	3.3
85.02901	53.5
87.04457	1.3
91.03941	2.9
91.05486	6.9
97.02885	14.6
98.07152	0.9
98.20625	1.0
99.04455	1.7
103.76250	0.9
104.07100	1.0
109.02867	4.7
115.03935	1.1
116.98640	1.6
119.04942	17.4
123.04431	2.4
127.03911	14.0
137.38724	1.2
139.03886	2.6
145.04953	21.0
147.04399	100.0
153.01819	5.8
163.03896	1.2
163.05994	7.1
165.05470	48.8
177.05478	2.0
203.07028	2.0
217.49785	1.1
226.98633	1.5
237.02609	1.2
244.99829	1.5
249.07590	3.4
271.05881	2.3
288.18893	1.1
311.36484	0.9
349.79816	1.1
365.27499	0.9
444.95636	1.2
465.03336	1.3
506.09613	2.0
506.22614	2.0
506.64185	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63966	0.4
53.03939	0.7
55.01871	0.7
56.02794	0.5
56.05021	1.0
56.85648	0.4
58.36746	0.5
60.04523	1.2
61.02903	0.5
68.05015	0.6
69.03421	3.4
69.31754	4.5
70.06580	1.4
71.04971	1.3
71.30128	0.4
72.04517	0.6
72.37021	0.5
77.87856	0.4
80.05009	1.3
81.03419	3.3
82.06581	0.5
83.01329	0.5
84.04496	14.2
85.02898	1.5
96.04481	18.5
96.05103	0.9
97.02888	4.2
98.02447	0.5
98.06045	7.5
99.04449	1.8
108.04463	0.8
108.08988	0.5
109.02860	5.0
110.06103	0.5
114.05517	1.1
126.05499	24.6
127.03924	1.9
137.02357	0.7
137.05968	1.0
138.05489	100.0
139.05864	0.8
144.06544	22.7
153.01805	1.4
165.77747	0.6
168.06546	23.7
183.89622	0.5
186.07593	27.4
188.53929	0.5
193.05043	0.6
204.08652	29.4
229.05054	0.7
257.04337	0.6
263.38843	0.5
303.04956	16.4
344.07709	1.3
405.85110	0.6
480.43088	0.6
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
53.03946	4.1
53.96968	0.9
55.01861	1.7
55.05505	11.6
57.03428	1.5
57.07071	38.1
65.03948	1.8
67.01514	0.8
67.05499	29.1
69.03410	1.9
69.07063	11.7
69.91640	2.0
69.92059	2.3
71.04976	1.0
71.08624	28.5
74.77235	0.8
77.40549	0.7
79.05486	14.3
81.03413	84.1
81.07053	26.8
83.04977	2.8
83.08134	1.6
83.08614	29.7
83.09108	1.8
85.06513	0.8
85.10176	15.2
91.05473	18.5
93.07043	8.5
95.04961	24.0
95.08599	29.8
97.02898	2.8
97.06528	1.9
97.10155	7.6
98.20688	0.9
99.08083	1.0
99.11703	1.1
104.31597	0.7
105.04543	1.0
105.07016	12.9
107.04958	5.3
107.08550	4.1
107.81754	0.7
109.06502	1.9
109.10153	14.3
111.04420	1.9
111.08065	5.9
111.11706	2.2
115.05429	1.6
117.07072	2.1
119.08569	10.9
121.06519	2.5
121.10127	4.2
123.04451	1.2
123.08118	0.9
123.11706	6.8
125.13281	1.7
128.06279	1.0
129.06987	8.2
130.68614	0.8
131.08566	8.7
132.73053	0.7
133.06470	2.8
133.10109	3.0
135.11681	0.8
137.09599	1.4
137.13281	2.6
142.07768	2.1
145.10143	1.2
147.08052	2.6
147.11674	7.8
149.09583	3.7
157.10123	9.5
159.11685	1.2
165.12691	1.6
175.11165	10.1
193.12227	52.9
194.12523	0.8
202.73474	0.8
204.12556	0.8
221.22612	1.0
229.14246	0.9
231.13757	1.0
239.23648	10.2
246.05386	0.9
249.14804	6.1
330.18301	0.8
348.77518	0.8
505.38867	100.0
506.39279	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.0
55.01862	2.0
55.05508	13.4
57.03424	2.5
57.07071	45.5
65.03926	1.7
67.05498	29.6
69.03421	2.2
69.07056	12.2
69.33306	3.8
69.33736	4.0
71.04984	1.4
71.08625	28.8
73.38234	0.8
79.05481	16.3
81.03410	98.2
81.07049	30.6
83.04975	5.1
83.08611	34.7
83.09110	1.9
85.06528	1.8
85.10174	20.1
91.05469	19.6
93.07036	9.4
95.04961	26.1
95.05551	1.5
95.08597	35.0
97.02900	2.0
97.06525	1.3
97.10133	8.0
99.08070	1.3
99.11742	1.0
105.07027	11.8
107.04928	5.5
107.08578	3.7
109.06527	2.8
109.10148	14.9
111.04424	2.0
111.08074	7.7
111.11733	1.9
112.08562	0.8
113.13182	0.8
115.05457	2.1
117.07024	1.8
119.04946	1.8
119.08572	12.6
121.06517	2.4
121.10144	5.5
123.04408	2.3
123.08102	1.0
123.11690	5.8
125.09635	1.6
125.13276	1.3
128.06271	1.0
129.07007	10.0
131.08556	8.9
133.06488	3.2
133.10117	4.6
135.11702	0.8
137.13272	2.3
139.14809	0.9
142.07820	3.1
145.10127	1.6
147.08049	2.7
147.11684	8.2
149.09595	5.4
151.14803	1.7
155.18883	0.8
157.10101	8.9
157.11278	0.9
165.12801	2.3
175.11163	11.8
175.12503	0.9
178.49432	0.9
193.12221	58.7
205.12215	1.1
221.22525	1.1
239.23650	12.5
249.14825	7.3
331.75967	0.9
401.80392	0.9
505.38846	100.0
506.39105	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	505.352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.4
54.04276	2.0
55.01854	6.6
55.05505	58.5
57.03421	5.9
57.06821	2.3
57.07073	33.3
58.18898	1.7
59.04973	4.0
65.03932	4.1
67.05497	100.0
69.03415	5.6
69.07063	23.8
70.68648	6.7
71.04973	2.8
71.08630	25.3
79.05486	53.1
81.03413	70.4
81.06573	3.8
81.07052	78.6
81.62411	1.8
82.13224	1.6
83.04955	8.8
83.08138	3.2
83.08608	47.7
85.02879	3.3
85.10173	12.7
91.03930	2.1
91.05474	49.1
93.07032	48.9
95.04964	25.9
95.08597	56.5
97.06565	2.2
97.10156	46.2
105.04549	2.5
105.07025	33.4
107.04961	4.3
107.08582	30.6
109.06493	3.8
109.10140	47.7
111.08052	9.3
117.06995	7.3
119.08575	31.1
121.10132	23.7
123.04400	2.5
123.08035	2.5
123.11684	9.1
125.09615	36.0
129.06982	11.5
129.72028	2.1
131.08557	21.3
133.10121	21.4
135.07993	3.6
135.11699	18.9
137.09584	3.2
137.13159	2.9
138.18709	2.0
142.07790	2.1
145.10123	11.1
147.08055	2.8
147.11658	20.4
149.09587	6.0
149.13200	6.7
153.09039	2.7
155.10614	2.4
157.10101	6.8
159.11659	8.9
161.13219	11.9
163.14857	2.8
171.10144	2.8
171.11636	2.3
173.11714	10.8
173.13252	8.4
175.11177	8.0
175.14801	5.1
183.11606	2.9
185.13162	3.4
187.14764	2.2
189.11205	30.6
193.12221	37.7
227.12769	28.2
229.14374	20.2
231.20876	2.7
239.23698	7.1
241.19412	11.1
243.21049	4.1
249.14844	6.3
259.20599	18.5
261.22086	18.2
317.24774	3.4
320.91580	1.8
333.17566	2.4
333.24170	10.1
413.30685	2.3
487.34229	6.9
505.38452	64.6
514.23737	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	505.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29641	1.2
53.03926	2.4
54.59861	1.1
55.01859	1.4
55.05513	16.9
57.03432	8.5
57.07074	2.4
59.04982	3.7
63.74693	1.1
64.11194	1.1
65.03940	2.7
67.05500	100.0
69.07056	10.4
71.04974	4.3
72.08135	4.4
77.03902	1.4
79.05492	27.1
79.05949	1.9
81.03415	2.2
81.07053	35.3
83.04970	2.3
83.08617	8.9
84.40957	1.2
85.06524	3.4
91.05472	40.5
93.07037	32.3
95.04947	4.9
95.08601	18.5
97.06503	1.7
97.10126	3.7
99.08128	2.0
103.05443	1.7
105.07020	37.3
107.08585	20.5
109.06503	1.9
109.10149	69.4
111.08072	2.5
117.07011	9.2
119.08577	36.3
121.10149	12.6
121.14078	1.2
125.09598	3.4
129.06972	6.3
131.08554	14.8
133.10130	26.2
135.08060	1.6
135.11687	12.1
137.09631	2.8
143.08557	5.1
145.10103	11.4
147.11674	27.7
149.13223	7.9
155.10654	3.2
157.10097	4.7
159.11647	11.2
161.13237	27.1
163.11192	1.7
163.14821	2.0
171.11673	9.7
173.11714	23.9
173.13245	5.7
175.11192	1.3
175.14818	7.9
177.12741	2.6
185.13208	7.2
187.14819	4.4
189.11223	2.2
199.14847	3.3
201.16368	1.6
213.16248	2.6
214.77771	1.4
215.17604	1.2
217.19464	1.6
227.12695	5.7
229.14330	52.4
231.17525	1.8
231.21094	5.4
241.19496	20.5
259.20569	54.3
260.20920	1.6
261.22125	2.6
275.20255	1.2
315.23102	3.5
333.24222	29.1
385.07169	1.2
385.12756	1.2
413.30673	2.4
487.34103	10.2
505.35452	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	505.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	2.8
55.01853	2.2
55.05510	17.4
57.03430	9.2
57.07064	4.0
59.04986	4.8
65.03939	5.6
67.05502	100.0
68.05835	2.4
69.07068	14.0
71.04986	4.6
71.08655	2.9
72.08146	11.1
79.05494	34.6
81.03407	2.5
81.07057	44.0
83.04983	2.1
83.08604	9.5
84.06136	2.4
85.06543	3.5
91.05482	44.7
93.07035	41.1
95.08611	25.6
97.06516	2.7
97.10138	4.8
98.20772	3.5
99.08080	3.2
103.05482	2.1
105.07028	40.1
107.08598	20.0
109.06541	3.9
109.10145	62.9
117.06991	10.6
119.08579	35.3
121.06521	2.4
121.10140	16.5
123.11681	2.4
125.09627	2.5
129.06972	5.5
131.08563	12.5
131.67085	1.9
133.10124	23.8
135.08151	2.0
135.11688	12.0
137.09540	2.1
143.08559	6.5
145.10097	14.8
146.20421	2.2
147.11691	26.8
149.13231	7.3
155.10745	2.4
157.10143	5.7
159.11668	10.9
161.13260	16.9
163.14833	2.5
170.05740	11.4
171.11693	8.4
173.11723	15.4
173.13283	8.7
175.14833	7.5
185.13258	8.0
199.14738	3.0
217.19467	2.0
218.56432	1.9
221.94870	2.1
227.12929	4.3
229.14334	44.5
241.19496	19.2
259.20566	50.8
261.22043	2.8
277.21552	4.0
333.24292	23.3
335.25797	4.8
336.26163	12.8
413.30255	2.2
474.42377	2.0
475.20593	2.6
487.34814	9.9
505.34976	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	505.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.9
55.05503	19.7
56.96563	7.8
57.07065	12.5
57.76704	5.5
65.85677	5.1
67.05500	37.0
69.03412	11.6
69.07063	52.2
71.04990	12.3
71.08631	8.4
71.59530	4.7
71.59913	6.0
72.02386	5.3
79.05483	28.9
81.03386	7.3
81.07061	100.0
82.67400	5.3
83.04987	12.8
83.08605	14.2
85.02917	31.6
85.29011	4.6
91.05466	24.2
93.07043	48.2
95.04977	14.6
95.08608	99.6
97.02893	8.7
97.06536	23.8
97.10169	11.4
97.17301	5.5
99.08090	8.2
105.07043	30.7
107.04998	8.2
107.08605	50.3
109.10153	54.9
111.11703	9.7
116.01659	8.8
119.04948	7.0
119.08551	28.1
121.10144	46.0
123.11701	41.0
127.03905	7.9
131.08554	13.9
133.10167	29.4
135.11702	31.6
137.05968	19.6
137.09605	7.9
137.13258	28.3
139.11220	8.9
141.12744	8.0
145.10123	21.0
147.04402	23.1
147.11693	18.7
149.13243	24.0
153.01852	41.0
155.10680	5.9
159.11684	16.4
161.13243	17.5
162.02174	9.6
163.14815	9.7
165.12805	12.5
167.14317	6.8
173.13142	6.0
177.16422	29.6
179.14378	6.1
187.14832	11.6
189.16405	11.3
195.17447	8.5
213.18475	8.1
215.18027	8.9
237.02716	6.7
249.07620	23.8
259.11133	5.8
260.11243	12.4
271.24197	23.5
289.25305	27.6
301.07101	13.9
307.26230	25.1
325.27173	11.4
343.28439	8.1
505.25427	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	505.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	21.7
67.05502	35.1
69.03414	11.8
69.07056	42.9
69.97414	15.8
69.97826	17.9
70.06592	10.8
71.04979	17.8
79.05483	35.7
81.03415	8.5
81.07052	100.0
83.04958	5.6
83.08609	9.2
85.02901	38.4
88.22973	6.2
91.05458	25.1
93.07034	41.7
95.04996	8.5
95.08604	81.8
97.02872	16.4
97.06497	16.0
97.10136	7.0
103.05466	6.1
105.07033	34.2
107.04930	8.1
107.08585	36.7
109.10151	58.6
111.08071	7.8
111.11692	7.3
115.05458	8.1
117.06994	7.5
119.04936	10.3
119.08588	33.6
121.10139	39.3
123.11709	42.7
127.03870	7.7
129.05502	7.4
131.04916	10.1
131.08530	6.8
133.10144	16.8
135.11668	31.0
137.05977	40.0
137.09607	8.8
137.13229	19.5
145.10086	11.2
147.04376	18.4
147.11674	25.2
149.13235	19.0
151.03954	6.1
151.11188	11.5
153.01826	15.0
158.07153	6.9
159.09261	5.7
159.11668	8.3
161.05946	8.0
161.13214	14.0
163.03867	8.6
163.14842	14.3
167.07018	15.2
173.13164	9.3
175.07559	7.1
175.14778	9.9
177.05534	7.5
177.16440	11.7
179.14233	6.8
181.04927	13.6
187.07684	8.3
189.16391	18.4
217.19527	6.3
249.07535	8.5
271.24231	22.9
273.13452	7.3
281.44406	6.9
287.05328	15.6
289.25235	23.7
307.09225	6.6
307.26328	15.0
343.11945	10.4
344.07813	7.2
351.12329	9.7
505.16492	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.2
55.01863	3.6
55.05514	19.0
57.03428	7.5
57.07049	2.7
61.23756	1.9
65.03928	1.8
67.05501	65.7
69.07060	13.1
70.34131	8.7
71.04996	2.6
72.76152	2.3
79.05489	100.0
81.03422	12.2
81.07056	52.7
83.04974	17.7
83.08614	9.1
85.06532	3.5
90.95571	1.8
91.04891	2.5
91.05476	81.2
93.07038	86.6
93.41279	1.8
95.04964	33.2
95.08601	33.0
97.06527	7.1
97.10175	5.3
103.05485	1.9
105.04549	2.9
105.07022	53.9
107.04945	5.6
107.08589	18.7
109.06519	10.7
109.10171	10.8
111.08038	3.8
117.07006	11.0
119.07765	3.5
119.08571	32.3
121.06499	3.2
121.10147	7.4
123.08078	7.3
127.07513	2.3
128.06204	7.1
129.06990	21.8
131.08566	4.3
133.06551	2.1
133.10143	14.9
135.01393	1.9
135.11707	3.3
143.08569	13.8
145.06468	2.0
145.10094	13.9
147.08051	3.9
147.11690	51.9
147.12788	4.4
161.09572	3.9
161.13240	16.2
163.03929	8.2
163.11214	4.5
167.44746	1.9
167.87123	1.9
171.11682	39.9
179.14233	3.1
189.12732	18.4
207.13799	48.6
221.11459	4.3
225.14857	8.7
251.12411	2.9
263.16241	2.4
277.14233	2.7
281.17462	72.5
307.15155	2.5
349.82983	2.1
394.31442	2.1
469.29443	2.3
487.30530	68.7
505.27628	65.9
510.23648	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.0
55.01858	2.1
55.05507	24.4
57.03444	9.0
58.25885	1.7
59.62283	1.7
65.03926	3.8
67.05503	71.0
69.07067	12.1
69.49679	14.1
70.04533	2.1
71.04984	3.7
73.06548	3.9
73.38649	1.8
79.05490	100.0
80.28570	1.6
81.03418	10.5
81.07056	55.7
83.04964	18.6
83.08611	7.8
85.06541	3.9
91.05480	74.4
93.07042	90.4
95.04970	33.4
95.08603	31.4
97.06534	6.7
97.10162	4.2
105.04521	2.9
105.07026	56.3
107.04945	8.0
107.08588	16.6
109.06504	9.6
109.10156	5.5
117.07008	9.9
119.08578	34.4
121.06527	3.1
121.10125	5.4
123.08058	6.5
128.06212	4.6
129.06995	24.0
131.08583	5.6
133.10117	11.7
135.11668	2.8
143.08571	12.3
145.10088	13.5
147.07993	3.7
147.11681	52.9
161.09579	5.4
161.13226	16.5
171.11682	43.6
179.14265	2.2
189.12752	23.9
207.13794	56.1
221.57393	1.9
225.14885	7.1
279.15839	2.2
281.17477	80.3
487.30573	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	2.4
53.03941	8.0
53.53812	0.9
55.01847	3.6
55.05262	1.5
55.05507	21.9
57.03437	8.8
59.89619	0.9
62.01652	0.9
65.03934	5.4
67.05498	73.5
69.03432	1.2
69.07058	15.8
71.04983	3.3
71.59853	1.0
71.60571	1.4
73.06538	2.8
75.49912	1.0
77.03915	1.5
79.05486	100.0
81.03410	10.7
81.07051	58.3
83.04976	18.0
83.08614	8.5
85.06531	3.3
91.05473	83.5
93.07038	91.5
95.04961	30.6
95.08596	33.6
97.06525	6.6
97.10172	4.9
103.05438	1.4
105.04492	3.3
105.07021	59.4
107.04939	7.1
107.08586	23.4
109.06511	9.4
109.10143	10.0
111.08099	1.7
115.05428	2.1
117.07004	14.0
119.08576	32.2
121.06494	3.9
121.09347	1.3
121.10095	6.3
123.08078	7.3
127.07581	1.3
128.06224	5.4
129.06995	24.5
129.07906	1.8
130.07825	2.1
130.09048	1.0
131.08521	5.8
133.06439	1.7
133.10135	15.1
135.08008	1.3
135.11662	4.5
142.07692	1.0
143.08572	13.3
145.10117	14.8
147.08018	3.5
147.11676	50.6
149.13194	1.5
155.08578	1.0
156.09373	1.3
157.10162	1.2
159.11726	1.5
161.08347	1.4
161.09572	7.2
161.13242	18.9
163.11166	4.2
169.10062	1.5
170.01639	0.9
171.11681	43.6
171.13136	2.2
173.11755	1.4
177.12723	1.7
179.14252	3.2
189.12738	19.4
207.13788	48.9
225.14818	9.4
229.14363	2.1
259.20499	2.7
275.20221	1.0
281.17444	72.8
282.18118	1.0
487.30524	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.6
53.50036	2.5
55.01868	3.8
55.05505	24.4
55.27742	2.4
57.03429	13.7
65.03938	5.6
67.05500	76.7
67.51921	2.6
68.05811	2.3
69.07063	20.0
69.87086	11.6
71.04989	5.3
71.67170	2.4
77.84628	2.9
79.05485	100.0
81.03418	14.0
81.07046	54.0
83.04970	22.5
83.08633	13.8
84.56204	2.9
85.06532	4.8
89.03893	3.0
91.05470	67.4
91.06001	4.5
93.07035	91.2
95.04957	31.9
95.08592	43.1
97.06513	7.7
97.10155	6.1
105.07027	54.6
105.07725	2.0
107.04971	5.7
107.08578	28.2
109.06526	8.4
109.10134	14.5
111.08070	5.0
117.03435	2.8
117.06987	14.4
119.08581	31.1
121.06487	5.9
121.10137	10.4
123.08039	6.7
123.11679	2.5
127.07603	3.1
128.06224	5.0
129.07005	25.3
131.08582	7.6
133.10124	18.4
135.04407	11.4
135.11670	5.4
143.08551	16.1
145.02832	4.3
145.10117	17.0
147.11678	56.9
151.11177	3.0
157.10158	3.1
159.11678	5.8
161.09570	6.4
161.13275	19.7
163.03888	49.2
163.11162	4.7
171.11668	37.4
175.56989	2.6
179.14264	3.1
181.04997	5.2
189.12723	21.9
207.13789	44.6
225.14796	13.5
267.34509	2.4
281.17453	66.5
281.20273	4.8
325.23724	9.1
487.30518	67.6
505.27194	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	505.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.5
55.01854	1.9
55.05501	8.8
56.05019	0.9
57.03431	2.8
57.07058	2.9
65.03920	2.0
65.37343	0.9
67.05499	32.0
69.07068	6.8
70.06571	3.4
71.05012	4.0
71.08625	1.7
72.08150	100.0
73.07846	2.0
73.08483	20.5
77.03932	1.7
79.05486	43.0
81.03411	9.7
81.07049	26.8
83.04967	7.2
83.08620	6.5
85.02882	1.7
85.06515	1.4
85.10178	1.1
89.83918	1.0
91.04893	1.5
91.05470	31.2
93.07039	41.5
95.04962	13.1
95.08595	16.5
97.02886	1.3
97.06519	2.7
97.10148	3.0
105.04475	1.4
105.07027	26.6
107.04951	3.5
107.08577	9.5
109.06512	2.8
109.10119	5.0
116.29395	1.0
117.07027	5.6
119.08574	15.6
121.06530	1.3
121.10125	2.4
123.08055	4.2
123.11753	1.5
125.09580	1.2
128.06213	1.3
128.82944	0.9
129.07002	9.5
130.07784	1.0
131.08562	3.0
133.10149	6.6
135.11652	1.3
138.14435	1.0
143.08571	4.7
145.10135	5.3
147.08043	1.5
147.11682	24.4
148.11975	1.1
157.54208	0.9
159.11694	1.8
161.09607	2.7
161.13216	7.0
163.11205	1.2
171.11667	16.6
189.12729	7.3
193.12228	2.9
195.00208	1.5
200.76160	1.0
207.13805	18.7
225.14786	4.2
229.14264	1.0
281.17456	28.9
327.58084	1.0
351.20291	1.5
415.22357	2.6
416.22522	10.4
487.30478	24.0
505.31104	3.5
505.38535	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	505.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	11.8
55.01865	2.8
55.05513	30.3
57.03423	12.2
57.06832	2.2
57.07071	17.3
59.04987	2.3
61.02921	3.3
65.03950	3.8
65.77122	2.1
67.05502	85.6
67.47434	2.2
69.03416	3.5
69.07066	24.6
71.04977	5.3
71.08636	14.0
72.08153	7.6
73.06549	3.9
79.05489	100.0
81.03416	44.9
81.07054	72.5
83.04980	16.8
83.08614	21.8
85.02888	5.6
85.06530	3.5
85.10204	3.1
91.04901	3.8
91.05048	2.1
91.05474	90.2
93.07040	93.4
95.04971	35.6
95.08605	48.4
97.02859	3.0
97.06512	7.4
97.10166	9.3
99.08066	3.3
103.05473	3.3
105.07021	60.4
107.04957	9.7
107.08587	24.5
109.06524	7.0
109.10158	20.5
111.08078	6.0
115.64778	2.2
117.07005	12.9
119.08576	38.4
121.06511	3.9
121.10146	11.1
123.08052	8.4
123.11700	4.7
127.07533	2.6
128.06206	5.3
129.06993	27.5
131.08582	9.9
133.06432	2.2
133.10123	16.6
135.08060	2.4
135.11717	4.4
143.08580	12.5
144.80881	2.1
145.10133	19.7
147.08023	4.3
147.11687	55.2
147.12784	3.9
148.03630	2.2
149.13293	2.8
157.10109	5.9
159.11670	3.9
161.09644	8.6
161.13266	20.5
163.11234	4.3
165.74644	2.2
171.11668	45.4
175.11177	6.2
179.14308	4.1
189.12697	19.1
193.12190	16.3
195.00310	30.0
207.13814	43.5
225.14832	9.6
229.14233	3.9
239.23686	5.6
249.14919	3.1
259.20636	6.5
281.17468	73.1
311.25681	4.1
423.02396	3.1
487.30460	63.5
505.24783	5.3
505.32535	2.6
505.39047	34.6
525.58704	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	505.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01866	0.7
55.05505	4.3
57.03442	2.5
62.43820	0.4
65.03925	0.7
67.05502	14.6
69.07073	3.8
71.04989	0.7
73.02913	0.6
79.05492	7.4
81.03419	0.5
81.07058	14.6
83.04970	0.9
83.08624	3.9
85.06541	0.6
89.03914	4.7
89.89484	0.3
91.05486	5.2
93.07042	6.9
95.04956	1.4
95.08604	12.4
97.06522	1.6
97.10162	1.3
99.08062	0.8
105.07010	2.8
107.04971	1.9
107.08596	5.0
109.10153	6.0
111.08070	1.5
117.03367	6.4
117.07034	0.8
119.04941	0.5
119.08587	2.3
121.10133	5.4
123.08050	0.4
123.11681	1.9
129.05478	0.6
131.08559	1.7
133.10132	3.4
135.04416	15.3
135.11702	4.0
137.09552	0.6
137.13248	0.8
145.02831	11.2
145.10132	1.3
147.04399	1.3
147.11659	1.0
149.13249	1.1
151.11183	1.2
159.11676	1.0
163.03902	100.0
164.04262	1.5
173.11766	0.5
173.13210	0.9
181.04958	12.5
215.17899	2.3
219.11719	0.5
229.67108	0.4
233.19046	2.5
237.07587	1.9
249.18524	0.5
251.20049	2.8
277.21500	0.5
325.23727	14.8
374.37991	0.4
505.27853	0.9
528.56799	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01860	1.0
55.05289	0.4
55.05509	3.7
56.08731	0.4
56.16690	0.4
57.03425	2.5
57.07064	0.4
65.03930	0.9
67.05501	13.2
69.07069	3.6
70.72758	0.4
70.85081	0.4
71.04987	0.8
79.05061	0.5
79.05490	7.8
81.03420	0.5
81.07054	14.2
83.04967	0.6
83.08636	2.8
89.03922	4.8
91.05470	4.9
93.07041	7.8
95.04963	1.4
95.08601	11.5
97.06514	1.6
97.10141	1.3
98.20844	1.8
98.21523	0.8
99.08090	0.5
105.06439	0.5
105.07039	3.4
107.04964	2.0
107.08582	4.0
109.09466	0.5
109.10150	6.6
111.08057	1.2
117.03371	5.8
117.07002	0.9
119.04926	0.9
119.08578	2.5
121.10127	6.0
123.08063	0.4
123.11700	2.4
125.09524	0.5
129.05521	0.9
131.08542	1.5
133.10109	3.7
135.03384	0.7
135.04408	13.4
135.11702	3.2
137.09669	1.0
137.13208	0.6
145.02824	10.6
145.10095	1.2
147.04419	3.0
147.11671	2.1
149.09628	0.6
149.13248	0.9
151.11147	1.8
155.10674	0.4
159.11699	1.0
161.13252	0.5
163.03894	100.0
164.04202	1.0
173.13240	0.7
181.04947	12.7
181.72566	0.4
187.14803	0.7
215.17923	2.2
229.65750	0.5
233.19058	2.2
237.07574	1.5
251.19987	2.7
307.22504	0.6
325.23688	16.7
341.23325	0.5
395.25562	0.5
460.37701	0.5
505.27567	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	505.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01866	1.5
55.05500	0.5
57.03421	0.7
57.20565	0.5
64.38776	0.4
65.03919	0.6
67.05510	0.7
69.03419	4.5
69.07091	0.4
70.06573	0.9
71.04977	1.4
71.36502	1.0
71.99620	0.5
75.41552	0.4
79.05492	1.7
81.03404	6.3
81.07043	1.4
84.08102	0.5
85.02904	5.2
86.09710	0.8
91.05475	6.1
93.07018	0.9
93.12163	0.5
94.04187	2.2
95.04960	2.0
95.08591	0.7
97.02883	1.5
98.97584	0.7
99.04440	1.5
103.03988	0.7
103.05460	2.7
105.07024	8.0
107.04953	1.0
107.08619	0.6
109.02867	2.8
111.04394	0.6
115.05425	0.8
116.98637	0.5
117.07022	0.9
119.04930	5.2
121.10127	0.6
122.03644	5.2
127.00090	0.4
127.03912	2.9
128.06218	0.8
129.07008	0.7
131.03397	1.0
131.04921	4.6
133.06480	8.2
135.04382	0.9
136.05173	1.3
137.05971	100.0
138.06320	1.4
141.06975	0.9
145.06506	1.8
147.04402	4.4
147.08011	0.6
149.02312	0.7
149.05917	1.4
151.03899	2.0
151.07538	35.4
152.07968	0.6
153.00587	0.5
153.01817	2.6
153.05434	0.8
157.06459	0.8
161.05951	2.3
162.06718	1.3
163.03902	0.8
163.07530	4.2
164.04739	1.2
165.05447	0.8
165.09125	4.4
167.07072	0.9
167.08490	0.5
169.06447	0.6
171.07898	0.7
174.06740	0.6
175.07542	3.4
177.05496	1.4
177.09099	2.1
179.07028	36.3
181.04878	0.5
181.08614	0.7
187.07523	1.2
189.09105	2.4
190.06288	0.6
191.07071	1.6
191.10632	0.7
193.08647	1.7
195.08165	0.6
195.10152	1.3
199.07538	0.7
201.09152	1.0
203.07016	1.6
205.08519	0.9
207.10185	1.1
208.71516	0.5
209.07942	0.6
213.09016	0.6
217.08678	1.3
219.10243	1.3
229.08629	1.0
231.10172	0.7
235.09477	0.5
245.08162	0.8
265.12387	0.5
273.11304	1.0
291.12280	1.2
297.11496	0.6
299.12766	1.1
309.11212	0.8
311.12933	0.6
343.15463	2.6
451.23502	0.5
505.20383	1.8
505.29581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53856	0.4
53.03939	1.0
55.01864	1.0
57.03412	0.5
65.03927	0.4
66.45565	0.4
67.05486	0.5
69.03429	3.7
71.04997	0.8
71.36335	0.4
71.36675	0.4
73.02889	0.4
79.05496	1.8
81.02976	0.5
81.03419	6.2
81.07047	0.7
84.08125	0.6
85.02906	3.8
86.09682	0.7
91.05472	6.5
93.07027	0.6
94.04199	2.1
95.04951	1.7
95.08608	0.5
97.02870	2.1
98.97570	0.4
99.04440	1.1
103.03920	0.5
103.05443	2.5
105.07034	6.5
107.04942	1.5
109.02872	2.9
109.06500	0.7
111.04431	0.8
115.05442	1.0
116.77424	0.3
117.07011	0.7
119.04936	5.1
120.04317	0.4
121.06527	0.6
122.03631	5.1
123.04477	0.6
127.03903	3.8
128.06223	0.5
129.06981	0.7
131.03392	1.4
131.04927	4.0
133.06479	8.0
135.04440	0.6
136.05226	1.2
137.05972	100.0
138.06345	0.9
141.06944	0.5
145.04947	0.7
145.06493	1.4
147.04405	3.9
147.07976	0.5
149.05998	1.6
151.03946	1.3
151.07539	33.1
152.68646	0.4
153.01851	1.2
157.06458	0.8
161.05965	3.6
162.06760	1.3
163.07520	4.5
164.04686	1.1
165.05457	1.1
165.09122	3.4
167.07083	0.8
169.06497	1.0
174.06865	0.6
175.07581	3.1
177.05487	1.7
177.09108	1.8
179.07027	36.5
180.07472	0.6
181.08606	0.6
183.08145	0.5
183.10213	0.4
185.09726	0.6
187.07539	1.5
189.09134	1.3
191.07014	2.7
193.08627	1.9
195.08008	0.4
195.10199	0.4
197.05986	0.5
199.07594	0.7
201.09135	1.3
203.07013	1.6
203.10727	0.7
205.08624	1.2
207.10179	0.9
209.08083	0.8
213.09016	0.6
215.07005	0.6
217.08566	1.7
219.10115	1.0
223.07579	0.5
227.06975	0.5
229.08575	1.0
231.10335	0.6
241.08514	0.9
245.08043	0.6
247.09767	0.6
249.11307	0.5
265.08420	0.6
273.11182	1.6
284.30438	0.5
291.12433	0.9
297.11377	0.9
299.12881	0.6
309.11301	0.5
311.12665	0.8
325.14474	0.8
341.13898	0.4
343.15311	2.5
505.18948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.17
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
61.02914	0.7
69.03426	1.6
71.04662	0.6
71.05019	0.6
81.03403	0.9
85.02901	3.5
87.68788	0.3
97.02876	1.5
109.02894	0.5
121.02855	1.2
127.03886	0.6
130.28606	0.3
134.94681	0.3
147.04500	0.3
179.92082	0.3
191.03369	0.3
254.09265	0.4
270.08731	0.4
281.07895	0.5
282.08899	1.9
285.07520	1.9
297.07593	2.0
298.08307	1.9
299.09039	2.7
301.10645	0.4
307.58606	0.3
309.07449	2.1
310.08310	10.1
311.09082	0.4
313.07016	40.1
327.08591	4.0
328.09372	32.3
329.09741	0.5
330.06894	0.4
343.11722	100.0
344.12036	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1342
Annotation	Rhamnocitrin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03948	3.0
54.61823	0.4
55.01855	0.9
55.05497	0.5
56.96553	0.4
57.03429	0.7
57.23387	0.4
61.02907	0.8
67.05491	0.8
69.03430	7.2
69.07061	0.6
70.06544	0.5
71.04977	0.7
71.59449	0.5
71.88267	0.4
73.02901	0.8
79.05487	0.9
81.02977	0.7
81.03419	10.7
81.07040	1.8
83.01321	0.6
85.02904	6.1
91.05464	0.8
93.07046	0.5
95.04947	1.3
95.08592	1.0
97.02899	5.0
97.06536	2.0
99.04459	1.5
105.06986	0.8
107.08632	0.7
109.02872	6.0
109.10141	0.6
119.04922	0.6
119.08585	0.5
121.02882	3.2
121.10127	0.6
123.04420	1.4
125.02398	0.4
127.03909	5.1
131.04921	0.7
135.11702	0.9
137.05965	2.6
145.04971	0.9
147.04407	1.6
151.03931	0.9
153.01837	1.9
161.04747	0.4
161.05975	0.5
167.03389	3.9
179.03389	2.6
182.29890	0.4
187.06015	5.2
197.04364	0.6
199.07645	0.7
227.07149	1.1
249.07567	3.5
251.20103	0.6
255.06461	0.9
272.06787	1.3
289.54572	0.4
299.05466	0.9
301.07059	100.0
302.07489	1.6
323.10205	0.5
479.16379	0.6
505.18912	0.6
505.25586	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
53.77217	0.6
55.01852	1.3
55.05510	8.3
57.03178	0.9
57.03432	8.8
57.05815	0.9
57.07063	2.8
57.79373	0.6
57.87043	0.6
58.06587	1.3
61.02921	0.9
65.03922	2.3
67.05500	42.6
68.05814	0.8
69.03412	0.8
69.07059	6.7
69.67313	0.6
70.06580	2.6
71.00446	0.8
71.00790	1.5
71.04974	0.9
72.08151	76.4
74.08669	0.6
79.05489	21.1
81.03411	1.0
81.07053	38.3
83.04958	1.3
83.08614	4.3
85.02917	0.9
85.06534	1.6
85.92262	0.6
91.04923	0.5
91.05470	12.7
93.07040	25.4
94.43124	0.6
95.04983	3.1
95.08599	21.1
97.02874	0.8
97.06505	0.9
97.10162	1.3
105.04439	0.7
105.07026	8.1
107.08588	9.8
109.06509	1.5
109.10140	7.6
113.54842	0.7
117.07025	3.3
119.08562	5.6
121.10123	7.3
123.11686	3.2
131.08574	5.6
133.10115	2.7
135.11679	4.5
137.09506	0.7
137.13210	1.2
145.10107	4.4
147.11674	2.8
149.13260	3.3
159.11682	2.4
161.13277	2.2
162.15962	0.7
163.14801	1.0
164.00249	0.6
170.05765	60.7
173.13234	1.6
175.14853	1.0
176.60960	0.6
177.16476	0.8
184.43044	0.7
187.14717	0.9
192.02925	0.7
211.50206	0.7
243.21034	1.3
244.09392	1.1
261.22092	1.7
317.24765	2.0
335.25775	100.0
336.26160	2.3
342.38016	0.7
362.45651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34486	0.2
55.01879	0.2
55.05506	1.3
56.05027	0.7
57.02407	0.3
57.03437	0.6
57.05812	0.6
57.96104	0.2
61.02909	0.3
67.05504	4.5
68.05827	0.2
69.07064	0.9
69.33206	2.1
69.33612	0.4
70.06590	2.7
71.04974	0.4
72.08154	100.0
73.08508	0.3
79.05483	2.4
81.03424	0.3
81.07056	3.6
83.08633	0.5
85.06557	0.3
90.09193	3.4
91.05469	2.4
92.05814	0.3
93.07045	3.1
95.05000	0.5
95.08611	2.2
97.02882	0.3
97.10151	0.3
98.20767	0.5
105.07011	1.5
107.04962	0.3
107.08583	1.5
109.06501	0.3
109.10160	1.1
117.07048	0.5
119.08608	1.2
121.10155	1.1
130.63226	0.2
131.08585	0.9
133.10109	1.2
134.23706	0.3
135.11728	0.7
143.08620	0.2
145.10136	0.7
147.04425	0.4
147.11731	0.7
149.13304	0.5
159.11775	0.3
161.13226	0.4
163.03847	0.3
164.98262	0.2
170.05772	4.2
170.07086	0.4
173.13304	0.5
175.14793	0.2
201.34506	0.2
244.09546	0.7
252.23451	0.3
261.18460	0.2
261.22165	0.3
267.09369	0.3
275.20099	0.3
285.10089	0.3
287.11871	0.3
317.24765	2.1
335.25803	11.7
336.26276	0.3
400.52493	0.2
430.58319	0.2
486.29736	1.8
504.30545	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	504.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43761	1.8
53.03934	3.2
55.01870	3.3
55.05510	11.2
56.05024	5.8
56.96582	3.0
57.03437	15.3
58.06586	2.2
58.14868	1.8
58.99577	17.4
61.16024	1.7
64.25129	1.7
67.05499	17.8
68.05039	1.9
69.07069	16.7
70.02962	2.1
71.04984	4.1
71.60400	3.0
75.80100	1.9
76.02222	28.0
76.04019	3.2
76.07629	2.3
79.05492	13.9
81.03418	3.1
81.07057	71.0
82.39182	1.9
83.04993	3.7
83.06087	5.6
83.08627	4.4
84.04499	23.0
85.01128	2.3
85.02919	4.7
86.00691	2.0
86.99049	8.1
87.02692	9.9
90.14677	1.8
91.05470	7.3
93.07027	6.9
95.04945	2.2
95.08608	32.6
96.57369	2.0
97.06535	8.8
98.09708	6.5
99.05570	4.2
99.08081	24.5
102.05531	2.8
104.12861	2.0
105.07023	10.5
107.08585	7.1
109.06505	4.6
109.10147	13.5
111.08075	4.2
113.04243	5.6
114.03716	2.4
116.01677	39.1
119.08585	7.1
121.10176	4.8
122.09654	4.4
123.08053	2.8
127.03902	2.3
127.05806	2.8
129.06586	8.4
130.04977	10.8
130.06857	4.6
131.00154	2.1
133.10147	3.0
135.11674	3.0
137.05971	4.9
138.06277	2.3
142.03210	3.7
144.01155	16.1
145.06076	6.4
147.04408	4.7
151.14824	5.9
153.01814	3.2
156.08426	11.9
156.10197	9.2
157.06816	6.5
161.13272	9.8
162.02213	55.1
170.02798	3.4
174.09515	3.9
179.04857	23.6
179.14322	18.1
197.15385	18.1
210.11246	6.9
216.06915	5.8
233.05811	2.6
249.07657	2.7
255.14165	27.9
259.11108	100.0
277.12262	3.0
307.11847	2.6
313.11981	4.0
324.25208	3.1
331.13239	16.2
339.17401	3.4
353.12411	3.6
357.18326	9.0
358.16788	9.1
375.19635	10.6
406.16470	7.5
411.19449	2.6
429.20508	6.7
486.22491	4.1
504.18155	16.6
504.24887	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	504.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03938	0.7
55.01869	0.5
56.96554	0.6
57.03406	0.4
61.02947	0.4
67.05507	0.7
69.03417	3.3
69.07054	0.8
70.06580	1.1
71.04979	0.5
71.08627	2.6
71.60474	0.7
72.08152	0.7
79.01841	2.0
79.05499	0.7
81.03410	4.8
81.07056	0.6
85.02902	3.7
86.09711	0.5
93.07071	0.5
97.02875	3.4
99.04470	0.6
99.08085	5.0
107.01303	1.8
109.02876	4.1
120.08099	0.5
121.10150	0.4
123.04362	0.6
125.02341	3.2
127.03918	7.2
137.05907	0.5
143.03398	4.3
145.49832	0.4
149.01218	0.6
153.01819	100.0
154.02164	0.7
155.14224	0.6
171.02882	14.6
173.15385	1.9
183.58882	0.4
203.83446	0.5
217.13083	0.5
250.09592	1.9
250.59805	0.6
279.05017	0.8
297.06042	4.8
315.07077	25.0
504.17935	0.5
504.25183	0.7
504.32730	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.4
53.03946	1.1
55.01868	0.7
55.05256	0.6
55.05508	9.2
56.05036	0.5
56.26114	0.3
57.03438	9.4
57.05817	0.6
57.07061	0.8
65.03941	1.4
67.05502	35.0
69.07067	9.4
70.06583	1.5
71.04993	0.9
72.08153	70.4
73.08469	0.3
73.89768	0.4
77.03947	0.4
79.05490	19.3
81.07056	28.7
83.04976	0.7
83.08619	3.4
85.06545	0.7
90.09258	0.4
90.61045	0.4
91.05474	9.6
93.07040	20.4
94.07375	0.5
95.04962	2.5
95.08601	22.7
97.06530	1.3
97.10160	1.2
105.07025	4.7
107.08591	9.0
109.06564	0.5
109.10155	8.9
109.10919	0.5
111.08082	0.5
117.07024	1.6
119.08593	3.6
121.10146	6.2
123.11707	2.1
125.09674	0.3
131.08562	2.1
133.10132	2.7
135.11693	3.5
145.10138	1.5
147.11714	1.5
149.13271	1.3
159.11728	0.8
161.13275	0.9
163.14864	0.6
170.05769	58.2
171.06137	0.4
173.13252	0.8
244.09322	0.4
261.22186	0.8
327.95807	0.4
335.25784	100.0
336.26254	1.6
427.86810	0.4
438.37119	0.4
450.03027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10492	0.1
53.03934	0.2
55.05514	1.1
56.05042	0.7
57.03433	0.5
57.05809	0.9
61.87164	0.1
67.05499	3.6
69.07068	1.4
70.06587	3.7
70.84431	0.4
71.04984	0.1
72.08150	100.0
73.08486	0.3
79.05493	2.1
81.07053	3.0
83.04980	0.1
83.08611	0.4
90.09187	4.0
91.05472	1.3
93.07036	2.7
95.04958	0.3
95.08603	2.4
97.06541	0.1
97.10170	0.2
105.07019	1.1
107.08579	1.2
109.10150	0.9
110.32761	0.1
111.08121	0.1
117.07037	0.2
119.08566	0.7
121.10136	0.9
123.11686	0.2
125.09623	0.1
128.04390	0.1
131.08549	0.3
133.10149	0.8
135.11688	0.4
145.10103	0.3
147.11670	0.5
149.09575	0.1
149.13309	0.2
159.11642	0.2
161.13251	0.3
163.14926	0.1
163.19263	0.1
170.05763	4.4
180.86873	0.1
199.62930	0.1
208.21414	0.1
244.09459	0.8
317.24664	0.3
328.65955	0.1
335.25769	15.9
336.25961	0.3
358.40695	0.1
383.27847	0.1
432.61649	0.1
486.29703	1.4
504.30753	1.3
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
53.03939	7.4
53.98003	1.5
55.01865	4.3
55.05509	49.6
57.03423	1.7
57.07078	13.7
59.04992	1.5
67.05500	44.4
69.03430	5.6
69.07065	53.1
70.55363	1.9
70.55694	5.1
71.04991	3.2
71.08631	10.9
79.05489	29.5
81.03416	95.7
81.07053	51.6
83.04985	3.9
83.08617	52.4
83.09116	3.6
85.06545	4.9
85.10172	4.8
91.05470	35.0
91.06001	2.5
93.07036	24.6
95.04961	30.1
95.08611	20.1
97.02882	4.2
97.06539	2.4
97.10165	32.3
105.07035	24.7
107.04945	5.9
107.08602	12.8
109.06536	2.9
109.10150	4.8
111.04424	2.5
111.08077	9.7
111.11700	13.0
117.07023	6.1
119.08573	19.0
121.06519	3.9
121.10144	13.1
123.08010	2.1
123.11703	5.4
125.13284	2.1
128.06227	2.3
129.07010	9.5
131.08569	15.3
131.74515	1.6
133.06447	2.2
133.10086	13.0
135.11665	4.8
137.09613	3.2
142.07782	3.6
143.08553	3.0
145.10139	7.7
147.08044	4.0
147.11656	13.0
149.09641	5.2
149.13255	2.3
157.10110	10.7
159.11723	3.7
173.13240	3.2
175.11137	9.6
180.77522	1.7
183.11852	2.0
187.13275	4.7
187.14806	1.8
193.12251	36.8
201.16573	1.9
202.32919	1.8
249.14873	6.3
411.32428	5.1
429.33322	2.5
485.36502	3.9
503.38153	100.0
504.37415	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	504.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48821	2.6
55.93522	100.0
56.96554	3.3
69.03397	2.7
69.77654	9.3
69.78058	8.9
70.95862	3.2
71.92995	9.1
72.93770	13.8
73.94550	4.7
81.03402	3.8
85.02891	5.1
87.07667	2.7
90.94807	10.4
91.05465	5.8
97.02879	3.0
105.93518	3.4
107.04943	46.2
108.05756	4.8
108.95812	3.2
109.02825	2.8
120.05731	50.1
120.08042	3.5
121.02859	4.9
121.06516	5.0
121.92079	2.6
123.94535	5.8
125.96130	4.8
127.03836	3.1
128.96342	3.6
131.04930	8.6
132.05682	3.1
144.95851	3.1
146.97426	3.2
147.04419	4.0
149.05959	6.9
153.01819	7.7
155.98682	3.1
165.97102	5.5
166.97838	3.2
170.97385	4.0
174.98372	4.2
175.03741	2.9
177.05466	18.8
177.97025	4.1
178.97882	58.9
179.98688	13.8
181.96548	6.9
183.98183	8.2
184.98839	3.4
188.94789	4.8
192.99452	5.8
193.96616	7.3
194.00308	5.0
194.97368	17.3
195.98152	15.1
196.98941	69.1
198.96886	5.8
199.97662	10.9
201.99307	14.8
202.97893	3.1
205.96628	4.2
207.98148	18.2
208.98972	5.5
209.99704	7.0
211.97612	26.3
212.98422	16.4
213.99239	41.8
219.98178	6.5
220.00522	4.6
220.98878	4.1
221.99689	24.8
223.00517	18.0
223.97699	3.5
224.01358	5.8
225.99174	9.5
227.97231	4.0
229.98676	3.0
234.96928	22.6
235.97639	10.1
236.98341	3.8
237.99312	7.4
238.99980	4.2
248.98462	62.5
249.99153	7.6
250.99925	3.4
252.97977	12.8
253.98772	7.7
256.00333	3.0
261.93954	4.9
263.97128	4.9
264.97806	5.6
265.98621	14.2
266.99475	11.0
281.98221	3.8
283.99811	6.4
284.04993	8.2
305.98276	21.8
312.04416	31.3
313.05270	7.7
321.97580	6.0
335.98978	3.9
337.97235	27.6
338.01416	4.5
339.02805	2.8
339.98660	8.2
341.04523	5.1
354.00662	4.2
355.98489	6.1
356.03323	8.1
373.99078	3.9
385.03662	4.3
396.02963	41.2
411.01392	3.6
444.01675	4.3
462.02237	11.8
504.13693	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01605	0.9
53.03941	3.1
55.05260	1.4
55.05509	17.8
57.03424	2.4
57.07069	3.1
62.50881	0.7
65.03934	3.2
67.05501	62.5
69.03415	1.0
69.07064	11.7
70.73454	2.4
71.04981	6.9
73.06573	0.7
79.05490	34.4
81.07054	100.0
83.04972	1.7
83.08622	5.6
85.06539	10.4
91.05478	24.3
93.07042	32.7
95.04994	4.5
95.08601	23.2
97.06541	2.2
97.10178	2.9
105.07033	15.0
107.08591	17.7
107.09296	1.3
109.06536	1.4
109.10146	12.4
109.10824	1.1
111.08099	1.6
117.06992	3.3
119.08582	11.0
121.10136	15.0
123.08117	1.1
123.11699	12.4
125.09635	0.8
131.08575	8.6
133.10127	14.3
135.11685	9.8
143.08592	1.7
145.10104	6.2
147.11693	4.9
149.09613	0.8
149.13309	3.1
151.11203	5.1
153.12772	1.7
157.10168	1.2
159.11681	5.4
161.13252	3.9
163.14894	1.9
169.12274	2.6
171.11777	1.4
173.13322	3.2
175.14848	1.6
183.11668	0.8
185.13326	0.9
187.13313	8.6
187.14804	1.4
197.13283	0.8
199.14876	1.0
227.16599	1.2
241.19785	0.8
259.20581	1.1
261.22256	3.5
391.28555	0.8
393.31561	1.0
411.32877	3.1
429.33990	1.8
485.36307	3.1
503.37482	72.0
504.37915	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	503.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.8
53.19183	0.7
55.01873	1.7
55.05513	5.7
57.03431	1.4
61.02888	0.8
65.03929	0.8
65.80756	0.7
67.05508	24.9
69.07076	5.4
71.04994	0.8
71.59343	0.9
79.05138	0.7
79.05501	8.7
81.03395	2.0
81.06647	0.9
81.07059	13.2
82.45805	0.7
83.04975	1.6
83.08598	2.6
90.50809	0.7
91.04951	1.0
91.05474	10.4
93.07048	7.9
95.01339	1.6
95.04926	2.2
95.08606	6.2
97.06492	2.9
97.07048	0.8
98.88155	0.7
103.05432	1.1
105.07033	9.1
107.04926	2.6
107.08600	5.3
109.06482	1.5
109.10155	10.7
111.08059	1.7
115.67841	0.7
117.07021	3.0
119.08592	6.1
121.06496	1.6
121.10120	3.2
123.08047	1.0
123.11630	0.9
129.07018	1.4
131.08585	4.0
133.10146	6.3
135.11667	3.0
138.05507	0.7
143.08522	1.2
145.10143	3.3
147.11722	3.3
149.09601	1.8
149.13213	1.7
159.11653	2.4
161.13217	1.0
171.11665	1.0
173.11690	2.0
173.13179	1.5
179.14285	2.0
183.11676	0.8
198.69891	0.7
235.13013	3.1
257.18979	2.1
269.17273	0.7
275.20065	10.5
291.15750	4.3
293.21085	1.3
299.34570	0.7
311.53198	0.8
406.48822	0.8
454.23166	0.8
485.32175	1.2
503.29553	100.0
504.30045	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	503.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48464	0.8
53.03937	3.0
55.01876	2.1
55.05509	18.2
57.03436	1.9
57.07076	4.1
65.03936	2.7
67.05502	70.2
68.71707	0.9
69.03432	0.8
69.07063	14.3
71.04991	8.2
71.08624	1.5
79.05491	35.7
81.03411	6.4
81.07054	100.0
83.04971	2.7
83.08620	11.1
84.01903	0.8
85.06541	10.9
88.78156	0.9
91.05476	27.5
93.07040	31.6
95.04971	6.5
95.08602	23.9
96.48869	0.9
97.06526	2.1
97.10170	4.2
98.20792	1.9
105.07023	18.4
107.04968	1.6
107.08600	18.2
109.06521	1.3
109.10157	14.1
111.08104	1.7
111.11730	1.6
117.07044	4.0
119.08582	12.8
121.06520	1.0
121.10133	14.2
123.08109	1.1
123.11707	13.6
123.12579	1.3
129.07007	2.0
131.08575	9.3
133.06534	1.2
133.10129	16.7
133.62810	0.8
135.08070	4.4
135.11685	10.2
143.08614	2.6
145.10109	6.5
147.11710	6.3
149.13298	3.9
151.11192	5.5
153.34973	0.8
157.10159	2.3
159.11736	3.9
161.13278	3.2
163.11237	0.9
163.14827	1.4
165.03745	1.9
167.05415	1.0
167.53412	0.8
169.10242	1.4
169.12254	2.4
171.11754	1.6
173.11800	1.2
173.13351	3.5
175.14867	1.7
183.11710	1.1
185.13287	2.4
187.13290	10.3
187.14752	1.4
192.66640	0.8
193.12314	2.9
197.13382	1.1
199.14862	1.3
261.22256	2.7
275.20163	1.5
293.03546	0.9
295.17404	3.7
296.17691	3.8
305.21509	1.1
393.31665	2.1
411.32770	3.1
429.33972	2.0
485.36319	2.6
503.37442	82.6
504.37869	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	503.2976
Annotation	Thr Asn Leu Arg
Peak:m/z	Relative Intensity
53.03941	0.6
55.01849	1.4
55.05513	4.3
57.03416	0.7
58.33461	0.6
59.04982	0.9
67.05502	19.5
69.03403	1.1
69.07064	4.5
71.04977	1.0
72.08157	4.7
79.05061	0.6
79.05486	8.2
81.03407	1.1
81.07056	13.8
83.04955	1.1
83.08597	2.3
85.06530	0.6
91.05473	7.6
92.59714	0.5
93.07045	8.3
95.04935	1.7
95.08607	7.3
97.06511	2.2
97.10164	0.8
98.21528	0.9
99.30870	0.6
105.07034	7.3
106.99435	0.5
107.04926	1.7
107.08582	3.9
108.62077	0.6
109.06505	1.6
109.10151	8.9
111.08069	1.0
116.42719	0.6
117.06985	2.1
119.08586	4.5
121.06501	0.7
121.10142	2.6
123.08035	0.7
123.11669	0.5
129.07021	1.1
131.08583	4.0
133.10143	4.3
135.07999	0.7
135.11710	1.4
137.09558	1.2
143.08478	0.7
145.10115	3.6
147.11678	2.6
149.09625	1.1
149.13240	1.2
155.08565	0.6
157.10114	1.3
159.11667	2.1
161.13210	1.2
163.11084	1.0
171.11729	1.3
173.11734	1.4
173.13275	0.6
179.14317	1.0
229.14320	0.7
235.13081	4.8
235.16721	0.6
239.18094	0.6
257.18893	1.7
259.20776	0.8
269.17435	1.7
275.20029	7.2
291.15726	4.1
294.32669	0.6
397.26193	0.5
411.28613	1.0
485.32495	1.7
503.29535	100.0
504.30038	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	503.246
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
53.67222	0.5
56.96568	0.5
64.61227	0.5
67.05502	0.8
70.37833	2.3
79.05506	0.6
81.07051	1.4
85.02895	1.9
93.07040	0.7
95.04966	0.6
95.08585	0.9
97.02887	0.8
105.05564	0.6
127.03889	0.7
131.05006	0.8
137.05989	4.4
145.10080	0.6
147.04443	0.8
161.05991	0.8
163.07465	0.6
175.07559	1.3
187.07692	0.8
216.21416	0.6
279.10175	0.7
311.12643	1.2
341.19400	1.7
459.22095	1.2
471.22089	1.0
503.24646	100.0
504.24933	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	503.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.2
55.01857	2.7
55.05505	16.1
57.03421	3.1
57.07061	3.2
61.02914	1.2
65.03942	2.7
66.04707	1.1
66.29230	1.2
66.98010	1.5
67.05502	62.0
69.03424	1.6
69.07060	11.7
71.04972	4.9
71.59360	2.2
75.55338	1.3
78.23711	1.1
79.05491	36.1
79.05956	2.1
81.03432	2.7
81.07054	64.1
83.04954	3.1
83.08630	7.5
85.06534	5.2
89.48499	1.1
91.05470	25.6
93.07036	26.7
95.04959	5.0
95.08602	21.0
97.06538	4.2
97.10175	2.9
98.80380	1.2
105.07018	20.9
107.04958	3.8
107.08579	14.9
109.06535	4.0
109.10153	15.4
111.08071	1.8
117.07008	5.6
119.08578	12.7
119.84515	1.2
121.10136	10.2
123.08076	2.1
123.11726	6.6
129.07021	3.3
131.08568	9.1
133.06474	2.0
133.10138	15.0
135.08038	1.8
135.11720	7.0
137.09587	2.1
137.67546	1.3
141.06857	1.3
143.08545	3.6
145.10121	7.6
147.11655	7.1
149.09566	3.6
149.13298	4.5
151.11206	2.4
157.10138	1.7
159.11690	5.3
169.10170	1.7
171.11722	2.2
171.54033	1.3
173.11798	2.3
173.13243	2.6
177.09164	2.4
177.12831	1.8
179.14290	2.1
183.11734	1.9
187.13281	3.8
187.14786	1.5
235.12988	9.7
261.22189	2.6
270.27509	1.3
275.20087	10.8
291.15610	8.5
317.25217	1.3
364.91718	1.4
393.31866	1.6
411.32617	1.4
485.36697	1.5
503.29694	100.0
503.36990	28.2
504.29993	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	503.19
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07768	1.2
51.45401	1.1
52.10020	1.2
53.03946	1.4
56.96546	1.7
57.03434	1.3
57.67924	1.2
61.02906	1.4
69.03425	4.1
69.07050	2.2
69.90197	6.7
72.43078	1.4
73.72205	1.1
75.77748	1.1
79.05476	3.3
81.07052	2.6
82.44903	1.2
85.02908	8.5
89.46556	1.2
91.05471	4.4
93.61966	1.3
94.04187	3.9
95.04934	1.3
97.02900	3.0
98.21461	1.4
101.05981	1.2
103.05461	2.2
105.07013	7.7
107.04936	1.8
107.08610	1.5
109.02865	1.3
109.06488	2.5
115.05480	3.0
117.07011	1.9
119.04954	1.2
119.08572	2.5
122.03661	6.7
123.04448	1.6
128.06235	1.8
129.06982	2.1
131.04930	2.8
132.05641	1.6
133.06491	5.2
133.10150	1.6
137.05977	100.0
147.08038	4.2
149.06050	2.0
156.05804	1.4
159.08052	3.5
160.05157	1.8
161.05980	15.5
162.72325	1.1
167.07048	1.5
172.05199	1.4
175.07527	26.8
179.06973	1.4
187.07562	10.2
189.09077	1.8
190.07823	2.8
191.08501	5.7
199.07556	5.5
202.07791	2.5
203.08569	6.0
207.13765	3.3
218.07251	2.0
219.08124	7.9
220.08777	2.0
225.14848	2.1
231.08006	5.1
236.08356	2.8
247.07539	4.7
248.08403	2.7
251.10660	16.6
259.07608	4.2
261.09033	1.4
263.10550	1.9
276.07816	2.5
277.08679	2.2
279.10187	13.5
280.10895	1.8
285.10107	1.6
291.10095	8.0
296.10455	2.0
303.05017	1.5
311.12775	29.0
323.12823	16.2
341.13858	1.3
377.01712	5.1
395.02704	3.6
444.33725	1.5
474.32193	1.5
503.18668	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	503.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01868	0.9
56.48993	0.6
56.96554	1.9
57.03393	0.7
61.02905	0.7
62.60422	0.5
65.03909	0.9
67.05493	0.9
69.03431	3.3
69.28735	4.3
69.29160	2.4
71.05002	1.1
72.08128	0.6
77.03905	0.8
79.05488	1.9
81.03405	1.7
81.07046	1.7
84.04501	0.9
85.02902	7.3
86.09691	1.9
90.28075	0.6
91.05453	4.4
94.04177	2.7
95.04939	1.2
95.08588	0.9
95.46317	0.6
97.02880	2.5
98.97578	1.0
103.05437	1.5
104.06234	0.7
105.07024	5.9
107.04942	1.6
109.06506	2.0
115.05466	3.0
116.98599	1.6
117.07041	1.7
119.08572	2.2
121.06486	0.8
122.03642	7.1
123.04415	14.9
124.04750	3.4
127.03889	1.1
127.32829	0.6
128.06227	1.8
129.06996	2.5
131.04910	1.9
131.08549	1.2
132.05690	1.7
133.06474	4.6
134.99649	1.4
137.05966	100.0
138.06279	0.7
139.03874	8.2
140.04225	2.0
144.05757	0.9
145.04967	0.7
145.06470	1.7
146.99690	0.8
147.04330	3.6
147.08052	2.8
148.04680	0.8
149.05956	1.6
151.03879	0.8
151.07568	1.1
153.01826	2.3
159.08067	2.3
160.05220	1.5
161.05969	13.8
163.07533	1.6
168.05687	0.7
171.08005	1.1
172.05177	1.3
175.07538	30.0
179.03380	0.8
179.06993	1.0
184.05226	0.7
187.07571	8.2
189.07024	0.9
189.09128	1.3
190.07811	2.1
191.08530	6.9
197.01163	0.7
198.24403	0.6
199.07520	9.1
200.07863	0.7
202.07727	2.8
203.08507	5.1
208.08881	0.8
209.15387	0.7
217.08594	1.1
218.07323	1.8
219.08046	10.7
220.08719	2.5
231.08066	5.4
232.08820	1.2
235.07405	0.8
236.08344	1.6
237.02707	1.7
247.07486	4.5
248.08377	2.7
249.09171	1.2
251.10701	10.2
259.07578	4.6
259.11032	0.8
260.08347	1.4
260.21167	0.7
261.09030	1.0
263.10727	2.7
264.07806	1.0
265.08640	1.3
266.07932	0.8
273.07626	3.4
274.07935	2.2
276.07825	1.8
277.08453	1.4
279.10132	9.5
280.10880	1.4
281.58850	1.0
291.10168	9.4
292.10852	3.1
293.08090	0.7
295.09451	0.7
295.13181	0.9
297.11566	0.7
303.04926	1.0
309.11395	1.1
311.12726	22.9
319.51343	0.7
323.12756	15.7
341.13861	2.1
342.06052	0.9
373.08875	0.9
377.01807	7.0
387.11072	1.7
390.33823	0.7
395.02924	2.4
399.29834	0.7
417.12173	1.8
418.12817	1.2
503.05923	6.6
503.17969	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.3
55.01849	1.9
56.76389	0.4
57.01623	0.5
57.03437	2.7
57.69204	0.4
59.05008	0.5
61.02931	2.9
65.42014	0.4
69.03426	20.4
71.01328	0.4
71.04992	4.2
71.42036	0.9
72.08148	0.6
73.02894	1.8
81.03413	21.5
83.01359	0.5
85.02900	17.9
87.04446	1.4
91.03953	0.8
91.05445	0.6
94.43228	0.4
97.02888	6.9
98.97588	0.6
99.04447	6.6
109.02855	2.2
115.03931	0.7
116.98595	0.7
117.05456	1.1
117.09432	0.5
127.03884	3.5
128.77580	0.5
133.07559	2.2
134.05998	0.7
137.05919	0.8
139.03851	0.6
145.04964	2.5
153.01825	2.0
160.07565	0.6
161.05896	0.9
161.07097	6.9
163.08641	4.5
178.07344	0.8
179.08160	1.3
189.06593	6.2
191.08142	6.1
207.07639	100.0
208.07796	0.9
219.07631	0.6
221.09175	1.0
231.11208	0.7
242.95892	1.0
249.08722	1.9
258.49170	0.5
287.10254	0.8
295.06491	0.6
299.06241	0.6
305.11371	2.4
323.12350	33.3
324.12430	0.5
341.13425	88.6
342.13718	0.9
370.62469	0.6
503.20721	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67292	2.3
56.96564	4.5
58.99860	6.1
71.17159	4.5
77.00902	61.3
91.05463	29.9
95.01939	56.4
97.02891	5.5
100.00102	2.3
101.00879	6.4
105.00366	4.1
115.05431	3.0
118.01139	7.9
119.01903	52.7
124.54745	2.2
125.97634	2.1
127.03878	2.8
131.04903	3.4
135.01367	22.7
137.02957	9.6
143.01921	3.3
147.01396	4.8
151.06068	6.9
153.01820	10.6
153.02440	19.4
154.02194	3.2
159.01373	3.0
161.02948	6.3
161.04482	9.8
161.05682	2.4
177.02415	10.8
179.05522	85.5
181.07133	3.9
183.04976	4.7
191.05548	7.2
193.01929	9.6
193.07124	2.6
195.03383	3.3
195.05052	7.3
197.06616	27.7
201.00974	2.2
202.04710	2.3
203.05533	2.4
205.03371	3.0
207.04955	10.7
209.06567	43.5
210.07195	2.0
211.04625	3.1
213.06081	25.5
219.04958	17.9
220.05878	3.0
221.06578	4.7
223.04489	15.7
225.06021	3.2
225.66032	2.0
227.07652	32.6
232.05771	5.7
233.06561	10.8
235.04535	12.3
237.06062	100.0
238.06367	3.6
241.05585	38.6
249.06018	3.0
250.06877	6.1
251.07626	6.5
253.05595	9.8
255.07124	67.6
260.07608	3.7
261.05862	3.6
263.04120	3.4
265.05533	15.6
267.07150	15.2
269.10181	5.8
271.06580	3.0
277.05554	11.8
279.07095	14.8
281.05051	82.9
283.06641	5.3
287.11124	3.6
295.06635	49.4
296.06888	2.6
299.06100	8.6
304.06613	3.4
318.08276	3.0
321.09747	2.8
323.05829	3.1
327.10760	9.9
339.05710	10.9
339.10312	2.4
341.12192	3.3
351.10687	4.8
355.10236	15.2
357.06400	4.6
365.08661	2.9
369.08118	7.8
369.12204	12.0
371.09930	5.6
379.10333	6.5
383.09705	26.4
395.09848	3.0
397.11536	17.1
401.10699	4.2
413.10870	3.5
427.08917	7.6
441.10165	11.4
445.09586	9.7
459.11542	2.7
485.09241	3.8
503.10367	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	503.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51531	3.5
55.01858	5.3
55.93481	3.6
56.96561	19.7
57.03425	5.9
57.57558	3.9
58.99859	11.9
59.04971	4.4
59.63951	3.6
61.02902	5.0
69.03437	20.2
73.02904	3.7
73.75313	3.5
77.00896	35.0
78.08543	4.0
81.03395	9.9
83.41766	3.3
85.02901	39.4
89.00906	8.9
90.05534	4.8
95.01936	16.6
95.04934	3.4
97.02884	18.9
98.97585	11.6
101.00866	19.3
105.00351	3.5
107.04942	23.4
109.02853	5.7
113.89591	3.6
115.02375	9.9
116.98608	11.8
119.01909	96.2
119.04943	5.1
127.03916	23.1
128.98625	4.6
131.01862	17.1
133.03444	24.9
135.01338	16.9
137.02936	15.3
143.01886	13.0
144.99803	31.1
145.03412	5.8
145.04971	10.9
146.99603	3.8
147.01393	4.8
147.05038	5.2
149.02945	20.4
150.99188	8.5
151.04529	5.9
153.02551	19.9
155.01941	5.8
157.03442	10.6
158.99651	4.5
159.01381	9.7
159.04980	5.5
161.01334	4.9
161.02933	24.5
161.05518	22.8
161.55470	3.7
163.00827	7.0
163.04543	5.0
165.03989	7.6
167.05553	3.7
168.99799	13.9
170.06207	7.3
171.01434	6.3
172.97914	4.3
172.99278	23.1
173.02927	18.8
175.00844	7.5
175.04538	7.1
175.16641	5.2
176.69446	3.7
177.00932	5.5
177.02444	26.1
179.60916	3.7
181.03452	4.8
183.05013	12.5
184.99312	30.0
185.02945	8.8
185.06630	7.0
187.00873	33.7
189.00829	5.0
189.02394	9.1
190.98840	3.9
191.00298	19.5
191.03951	14.5
193.01740	5.9
195.05026	98.6
196.99103	4.6
199.00887	5.5
199.04509	10.8
203.00371	39.4
203.03932	7.5
205.01974	30.9
207.03448	9.2
207.05028	12.8
209.06635	6.2
211.02818	6.3
212.98802	23.6
213.06059	22.2
215.00340	26.9
217.01930	16.2
219.05099	6.1
219.06975	7.8
221.05019	5.6
223.02956	13.4
225.06020	18.2
229.01881	6.0
229.05563	6.0
230.97697	4.1
230.99828	100.0
231.03426	6.6
231.07036	3.9
235.04515	11.3
237.02750	6.6
237.06102	10.7
239.04074	4.1
242.08121	15.9
243.07196	13.3
245.01237	22.6
245.05132	8.2
247.00827	4.2
247.02995	12.6
247.06691	9.9
249.06133	12.2
251.04117	6.9
251.08655	19.3
251.58832	4.9
253.05585	22.9
257.04935	6.6
261.02725	7.0
263.02393	68.1
265.07800	17.4
267.07040	20.6
269.05136	8.3
271.06674	25.7
272.06522	7.2
273.02496	5.0
273.08258	4.8
279.03879	4.6
281.04953	11.6
291.03622	19.6
293.04819	9.4
295.06650	22.1
297.04578	7.2
303.03290	5.3
307.02979	8.9
309.04620	5.6
311.06320	4.7
321.04465	29.8
321.10205	26.3
323.04907	5.6
335.02634	8.2
335.06091	7.6
337.07758	6.5
339.05685	6.4
349.03897	9.7
351.05698	6.0
353.07263	19.8
357.06818	4.8
363.05560	13.4
367.05075	41.4
369.06555	4.7
381.06595	24.9
381.11548	5.5
385.06177	6.6
390.06232	4.3
397.05600	5.0
409.06094	11.6
423.07690	9.9
425.05582	92.7
426.05820	5.7
427.06250	7.2
427.10889	11.9
443.06705	43.5
467.06516	7.3
502.15961	4.1
503.05762	6.2
503.12604	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	503.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39101	2.3
56.96565	2.2
60.06086	2.8
69.03394	4.4
70.07009	2.1
71.59569	3.1
72.08133	3.3
81.03440	2.4
81.07031	7.2
85.02879	5.2
86.09706	6.5
91.05447	2.8
93.07035	3.4
115.66077	2.6
121.06590	3.0
122.03663	4.4
123.04415	8.0
137.05954	24.4
139.03918	4.2
141.91777	3.2
147.04366	3.9
153.01788	3.8
175.07536	8.6
185.04213	3.2
187.07463	4.4
199.07486	3.7
207.13718	5.0
219.08025	3.1
250.93370	2.9
272.85632	2.6
278.49857	2.8
289.93710	3.0
303.04938	2.6
323.01639	3.8
323.12918	5.2
328.59146	2.4
331.25522	2.4
340.99487	7.3
341.14053	3.3
359.00821	6.0
365.33838	2.8
377.01810	80.5
395.02817	37.0
400.03342	4.1
463.53970	2.5
503.05899	100.0
503.21774	3.5
521.06287	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	502.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01860	0.8
55.05510	8.4
56.96542	0.9
57.03191	0.6
57.03436	8.1
57.05821	0.7
57.07057	0.7
65.03930	1.2
67.05499	19.8
69.07059	9.5
70.01967	3.2
70.06584	1.7
71.04984	0.8
72.08150	83.0
79.05488	29.0
79.05953	1.3
81.03391	1.5
81.07050	19.8
83.04975	1.8
83.08601	2.8
85.02904	1.0
90.09177	1.1
91.05472	24.8
93.07039	29.8
95.04967	5.0
95.08046	1.2
95.08603	15.2
95.35553	0.8
95.43052	0.6
97.02868	0.8
97.06520	1.3
98.20764	0.8
99.08099	0.7
105.07024	23.7
106.11149	0.7
107.04948	0.8
107.08588	12.8
108.53640	0.7
109.06485	2.1
109.10162	4.5
117.07003	6.0
119.08581	16.3
121.10115	8.2
129.06995	3.6
131.08568	6.9
133.10123	12.2
135.08133	0.7
135.11636	4.6
143.08539	2.1
145.10107	4.1
147.11665	6.5
149.13220	2.0
157.10115	2.2
159.11674	3.0
161.13242	2.6
170.05763	64.1
171.11694	1.7
173.13301	2.1
175.14845	0.9
185.13239	1.6
199.14725	0.8
241.19571	0.9
244.09491	1.2
259.20511	3.4
269.10519	0.9
285.09946	0.8
299.11826	1.0
315.23190	2.7
333.24210	100.0
372.14417	0.8
476.52588	0.8
510.39764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.2
54.24427	0.2
55.05507	0.9
56.05027	0.7
56.96575	0.3
57.03432	0.7
57.05811	0.8
67.05514	2.2
69.07080	0.7
69.73551	0.2
70.06590	3.6
70.81283	0.5
70.81657	0.4
71.04989	0.4
72.08153	100.0
73.85075	0.2
79.05492	2.4
81.07059	2.2
83.08611	0.4
85.02909	0.4
87.77335	0.3
90.09185	3.9
91.05481	2.4
93.07048	2.2
95.04958	0.8
95.08591	1.4
105.07024	3.2
105.07663	0.3
107.08604	1.2
107.42078	0.2
109.06556	0.3
109.10157	0.6
109.45285	0.2
117.07011	1.1
119.08588	1.6
121.10166	0.8
129.07027	0.6
131.08549	1.4
133.10149	1.0
135.11673	0.3
143.08623	0.5
145.10138	0.9
146.99718	0.3
147.11696	0.7
149.13263	0.3
159.11732	1.0
160.09358	0.2
161.13264	0.4
170.05757	3.7
173.13275	0.5
190.03194	0.5
199.14828	0.4
209.05161	0.2
235.09689	0.3
244.09541	0.7
259.20670	0.3
285.09967	0.4
315.23187	1.4
327.96530	0.2
333.24216	8.7
382.11075	0.4
410.24442	0.2
484.27997	1.6
502.29410	1.7
503.14462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
56.05005	1.1
56.96547	1.6
59.04982	1.3
60.04523	1.2
66.45178	1.1
67.05498	2.3
67.42220	1.0
69.03405	3.1
69.07056	2.2
70.06588	2.0
70.33404	5.2
71.04989	11.2
72.08154	1.9
72.48701	1.3
73.06545	2.7
79.01836	1.1
79.05492	3.9
81.03419	5.7
81.07057	14.8
85.02921	5.5
86.09705	4.9
91.05482	1.9
93.07046	10.9
95.08601	3.4
97.02879	3.7
105.07056	1.6
107.08612	6.6
109.02881	6.0
109.10146	1.9
110.07144	7.7
116.58784	1.0
119.04986	1.3
120.08144	1.6
125.02326	2.3
127.03900	7.7
135.11691	12.0
137.05997	2.4
139.03999	1.2
143.03384	3.6
147.04411	4.2
153.01820	100.0
153.12737	66.8
163.83757	1.3
171.02893	13.8
210.62662	1.3
279.04636	1.2
297.06015	6.6
315.07095	32.3
326.04657	1.5
384.47635	1.3
395.04831	1.2
400.90192	1.5
502.17627	6.1
503.24628	1.9
503.41046	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69979	0.3
54.65948	0.3
58.94237	0.3
67.05482	0.4
69.03421	0.4
69.27480	0.3
70.06573	0.5
71.59736	0.7
78.20638	0.3
81.03403	0.7
81.07024	0.3
82.21336	0.3
84.08127	0.5
84.35017	0.3
85.02905	1.2
85.17595	0.3
86.09715	0.6
91.05466	0.5
95.91953	0.3
97.02875	0.5
100.64577	0.5
103.03939	1.0
105.07002	0.4
108.22098	0.3
109.02873	0.7
119.04935	0.6
127.03913	1.2
128.57944	0.5
131.04929	0.4
137.06055	0.5
139.03996	0.5
145.07646	2.0
147.04411	1.8
153.01833	5.6
163.06044	0.5
187.03645	0.5
189.05453	0.9
191.25426	0.3
211.00816	0.5
229.01866	0.4
334.90396	0.3
335.06271	0.4
337.05429	1.3
417.06726	0.6
501.10013	100.0
501.22519	3.1
502.10443	1.3
508.94916	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
51.65617	0.3
53.03945	0.7
55.01871	0.8
55.05500	1.2
56.96560	0.4
60.83365	0.3
61.02904	0.3
65.03937	0.9
67.03706	0.3
67.05502	2.1
68.99777	0.6
69.03426	0.3
69.07058	0.5
71.60487	0.6
77.03920	1.0
79.05495	1.3
81.03431	0.8
81.07060	2.9
83.04977	0.9
85.02917	0.8
91.05448	1.5
93.07034	0.9
95.04964	1.9
95.08595	0.5
97.02897	0.6
97.10101	0.4
105.03397	1.2
105.07015	1.9
107.04957	0.6
107.08597	0.6
111.00766	0.6
111.04455	1.6
118.33784	0.3
119.04967	0.4
119.08562	1.0
119.93742	0.3
120.41254	0.3
121.02869	0.3
121.10162	0.8
123.04425	100.0
123.11717	0.8
124.04758	0.4
129.07011	0.4
135.04460	0.7
137.05846	0.3
139.03899	55.1
143.08673	0.5
145.06448	0.5
147.04416	3.9
147.11665	1.8
151.03891	7.0
161.06004	0.5
163.03928	1.1
165.05466	0.6
165.12729	0.9
189.05507	0.7
207.06557	0.5
270.81332	0.4
273.07565	10.1
347.52682	0.3
429.94257	0.4
465.19247	0.4
483.28223	0.4
501.29211	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67375	1.0
53.03938	1.8
55.05518	1.9
55.18641	1.0
57.03461	1.1
57.99553	1.3
58.33136	1.1
64.34557	1.1
67.05495	3.2
69.03418	4.5
69.07070	1.6
70.06587	4.7
71.04999	2.5
72.08143	1.6
79.01834	2.9
79.05492	5.2
81.03439	6.1
81.07062	3.6
84.04485	1.5
85.02905	5.5
85.34329	1.0
86.09708	2.6
91.05471	8.7
92.01675	1.2
93.07043	28.1
95.04994	2.2
95.08620	3.7
97.02910	4.6
97.06555	1.3
98.21532	1.8
99.04435	1.3
99.05562	1.2
105.07025	4.6
107.01325	2.0
107.08598	33.8
109.02890	5.2
109.06610	1.0
109.10188	2.0
119.04943	1.1
119.08607	1.5
120.08120	1.5
125.02380	3.2
127.03932	6.8
130.05029	2.5
134.74817	1.2
135.11703	23.0
137.05994	2.8
143.03378	5.2
147.04398	2.4
153.01826	100.0
154.02226	1.1
163.03970	1.3
171.02879	13.7
177.03326	4.2
182.11894	1.2
201.37469	1.1
287.05621	1.6
297.06000	8.7
315.07138	14.4
353.55899	1.3
356.17767	3.0
373.63129	1.1
377.01645	1.4
379.84579	1.2
388.95889	1.9
392.99292	1.2
502.11276	6.4
502.23431	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96293	5.9
56.96564	100.0
58.06600	4.5
69.03405	3.6
70.98128	3.2
71.58797	4.0
71.95244	3.8
72.08144	10.3
74.97608	12.1
84.96031	12.0
85.02893	9.1
86.97557	2.9
88.99144	6.7
89.07151	4.8
89.10790	4.6
89.18226	2.4
97.02909	6.2
98.97578	46.0
110.97559	3.2
114.97043	4.5
116.98612	35.2
119.01930	4.7
124.95482	5.5
128.98602	8.4
130.45230	2.8
130.94109	2.8
132.98058	12.3
134.99651	16.6
142.96510	14.1
146.99661	7.0
147.01266	2.6
150.99147	41.1
153.01793	2.7
158.99611	4.5
160.97588	16.8
165.00714	9.4
169.00206	25.5
170.96062	2.9
172.97589	5.1
174.99127	8.3
177.00777	7.7
177.04326	4.3
178.98578	3.5
181.01668	3.3
183.01669	2.8
183.03311	5.6
186.99089	6.9
188.97060	25.5
189.00710	3.0
190.98683	18.0
193.00163	25.4
193.01756	28.4
197.03011	2.8
200.97165	5.8
201.04321	6.7
202.98575	6.3
203.02220	5.5
205.00156	22.5
206.98123	22.1
208.99670	5.7
211.01196	3.6
211.02803	49.9
214.98622	5.6
218.98044	12.7
220.99690	11.6
223.01143	6.9
223.02924	5.0
223.90291	2.8
228.96608	6.4
232.97701	3.0
232.99507	14.2
237.00769	3.9
237.02742	3.2
241.03792	6.6
245.03348	7.6
246.97636	27.6
248.99307	9.0
251.00266	4.0
251.02472	6.0
254.99388	4.2
255.01773	41.4
260.99072	4.2
263.00653	15.2
264.98489	5.6
267.00204	6.0
269.03290	13.1
273.02805	13.1
278.99918	14.4
281.01889	9.8
295.01273	8.0
297.02795	11.9
306.99945	2.9
313.02328	14.4
315.03806	3.8
323.00867	3.3
327.03687	4.8
331.03247	6.3
332.99200	4.0
337.02359	14.0
339.02499	4.4
347.00555	4.3
349.02090	3.5
351.00162	13.0
355.03265	18.6
365.01895	15.7
367.03482	5.1
369.01190	6.3
383.02744	20.2
413.03802	3.7
425.03888	3.1
441.03201	5.0
443.05075	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	501.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	100.0
69.03432	4.8
70.34626	1.5
70.98127	7.3
71.58644	3.3
71.95277	2.5
72.08143	4.3
73.02946	1.8
74.97602	12.7
77.88353	1.7
84.96029	14.9
85.02898	3.1
86.97565	2.4
88.99171	3.9
89.10793	3.5
92.98640	2.0
97.02917	3.6
98.97581	45.7
101.00895	2.1
101.49048	1.9
107.04938	4.5
110.97581	3.5
116.98621	34.4
119.01941	4.9
124.95520	6.3
128.98616	6.0
132.98067	12.1
134.99648	14.5
142.96519	17.2
143.00177	2.9
146.99658	6.3
150.99149	38.4
153.01852	5.8
156.98102	1.9
158.99663	4.4
160.97606	11.2
161.01205	2.4
162.99106	2.5
165.00755	6.1
169.00227	16.4
169.01648	3.5
170.96046	3.9
170.99660	2.4
172.97516	3.6
174.99168	14.9
175.00578	2.8
177.00743	5.2
178.98679	3.6
181.01743	4.5
181.03302	1.9
183.03329	5.1
184.34315	1.9
186.99182	4.0
188.97063	23.6
189.00690	2.5
190.98582	14.0
193.00203	24.2
193.01781	26.1
200.97049	9.7
201.00797	2.7
201.04346	8.4
202.98676	6.4
203.02315	3.2
204.38113	1.9
205.00140	17.9
206.98105	19.9
208.99564	2.5
211.02824	52.7
214.98604	3.4
218.98032	11.5
219.01787	4.0
219.05417	2.7
220.99721	8.3
222.99254	4.1
223.01222	8.7
223.02901	7.3
227.02316	4.4
228.96571	3.7
229.03763	4.4
232.99593	10.7
235.01038	2.6
235.03015	2.1
241.03813	7.4
245.03290	7.3
246.97627	23.4
248.99239	2.5
249.06389	1.9
251.02563	3.1
253.13124	2.1
255.01743	42.2
255.04222	3.4
260.99243	6.4
263.00797	11.8
264.98572	3.4
265.03613	2.5
269.03268	8.8
273.02771	14.3
278.99927	13.3
281.01910	7.8
283.01175	2.2
283.04877	2.9
287.04279	2.9
291.57086	6.6
295.01199	5.8
297.03040	9.3
302.05148	1.9
309.02579	3.2
313.02090	12.9
315.03952	2.2
323.00729	6.1
327.04001	3.6
331.03415	4.8
336.73740	2.0
337.02261	11.0
341.01846	4.0
347.00806	2.4
351.00159	10.4
351.03992	2.1
355.03424	18.6
365.01758	15.3
367.03351	4.6
369.01480	5.6
373.04181	2.7
383.02942	21.4
413.03909	5.4
425.04242	3.3
441.03384	5.7
443.05075	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2147
Annotation	Val Glu His Asp
Peak:m/z	Relative Intensity
53.31260	0.2
69.07068	0.4
71.04980	0.6
71.38673	0.3
71.60114	0.3
71.60522	0.3
80.08866	0.3
81.07023	0.8
85.02863	0.8
97.94083	0.2
132.38458	0.3
169.04701	0.4
169.09990	0.3
185.04248	1.5
191.10393	0.6
243.08357	0.8
326.34967	0.3
331.09973	44.5
332.10031	0.5
349.11017	0.6
419.95798	0.3
499.21466	100.0
500.21912	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.2
57.03445	0.5
58.06599	0.8
69.03430	1.0
69.61973	2.5
73.02914	0.6
79.05769	0.3
85.02901	1.4
97.02888	1.2
98.97587	0.9
104.05003	0.4
110.40703	0.3
112.73113	0.3
116.98650	0.4
119.01965	0.3
119.04903	0.4
127.03896	0.7
128.98657	0.3
133.04913	0.4
134.99657	0.7
150.05507	1.0
150.99075	0.4
153.01839	2.1
154.02176	0.4
158.99626	0.5
165.00713	0.4
177.00658	0.3
178.04988	70.5
179.05275	0.6
188.03410	0.4
206.04477	100.0
207.04814	0.8
214.54602	1.2
219.01833	0.5
223.55243	1.0
224.05507	0.5
228.08546	0.4
237.02818	0.7
251.10320	0.4
368.09753	26.0
422.21756	0.4
501.02560	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1441
Annotation	Sodium methotrexate
Peak:m/z	Relative Intensity
51.02357	0.8
53.03941	1.1
55.01862	0.7
55.05486	0.6
57.03418	0.9
64.48209	0.5
67.05485	0.5
69.03421	2.4
71.04983	1.4
71.51241	1.0
72.71375	0.5
79.01856	3.6
79.05486	0.7
81.03418	8.3
85.02905	5.3
95.04975	0.7
97.02886	6.2
103.03933	1.1
105.07033	2.1
107.01299	2.1
109.02877	5.1
110.03703	0.8
114.09177	0.6
116.98642	0.5
125.02349	4.1
125.05968	4.1
126.03059	0.6
127.03925	7.5
133.06537	0.6
134.09665	2.0
137.02333	1.8
137.05968	1.3
139.03908	0.7
141.05478	2.8
142.05858	0.8
143.03372	6.6
145.04970	1.0
147.04439	0.7
148.11194	2.7
153.01825	100.0
153.05391	5.9
154.02162	1.3
154.06186	1.6
161.05862	2.9
167.07076	0.7
169.04953	7.1
170.05319	4.8
171.02890	12.2
174.49448	0.5
184.07288	6.8
185.07959	11.1
195.03011	0.7
197.08113	1.0
209.08192	0.7
213.03905	0.6
215.05461	0.8
227.09146	1.0
255.04959	1.2
275.09122	3.5
293.10135	1.0
297.06119	6.9
314.66846	0.5
315.07141	3.6
435.76135	0.6
439.89108	0.5
499.15500	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09433	1.0
56.96537	1.4
58.99854	1.1
69.56449	8.1
80.28244	0.9
81.03398	1.2
82.99405	1.0
82.99865	2.5
85.92918	0.9
90.10295	0.8
97.02887	1.2
98.20816	2.2
98.97575	1.4
101.00879	9.0
103.02439	3.5
109.02859	1.4
113.00890	2.4
118.44073	0.9
119.01913	31.8
121.03491	1.7
127.02414	5.0
128.98663	1.2
131.01909	14.6
133.03517	0.9
137.02953	4.4
139.02460	1.0
143.01888	17.6
145.03450	46.0
147.01390	2.8
149.02971	3.8
155.01875	21.0
157.03444	15.2
159.05087	1.4
161.01556	1.3
161.02946	26.5
163.04535	7.1
167.01868	7.1
169.03500	2.8
170.67676	1.0
171.01385	7.3
171.05043	2.8
173.02951	46.5
175.04556	3.5
177.81503	1.0
179.01912	2.0
181.03502	1.7
183.01434	1.2
185.01318	2.3
185.02946	43.8
187.04532	4.7
189.02428	10.7
191.02194	1.1
191.04065	2.3
197.02916	15.6
199.00932	2.9
199.04471	4.7
201.02446	2.5
203.04007	16.1
209.02982	2.7
215.03989	11.6
217.01932	57.4
217.05283	2.2
218.01974	1.8
221.03053	1.2
221.05023	5.0
227.04051	8.6
227.74301	1.2
229.01939	10.6
229.05542	1.6
235.02966	29.9
239.04082	1.4
245.05058	100.0
246.05257	3.0
247.02975	15.0
247.06686	2.3
253.04027	3.6
257.05038	14.9
258.04694	1.4
263.06107	13.8
265.04065	3.7
269.05429	1.4
275.06079	15.7
277.04053	21.0
293.07321	6.1
295.04922	1.5
301.04062	14.1
305.07193	10.8
311.06494	2.0
319.05066	30.9
335.08368	5.7
337.06122	34.3
343.73541	1.0
365.09274	10.5
383.10336	1.5
480.18820	1.1
481.10696	1.1
499.13608	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	498.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
53.48410	2.0
55.01866	2.8
55.05513	13.5
57.03426	7.6
61.02925	3.7
67.05496	48.7
69.03408	2.8
69.07070	15.5
69.35962	22.1
71.04971	4.9
73.02894	1.9
79.05486	28.1
81.03404	3.6
81.07050	60.6
83.04967	4.0
83.08620	16.0
85.02896	6.3
85.06526	4.5
91.03954	4.1
91.05475	22.0
93.07043	44.7
95.04970	5.9
95.08595	21.9
97.06524	7.2
97.10171	3.1
99.08024	2.5
99.10621	2.2
105.07012	11.6
107.08586	22.0
109.06497	2.4
109.10139	6.2
111.08062	4.0
117.07001	8.3
119.08539	7.5
121.10155	10.7
123.08056	2.4
123.11716	4.4
126.37997	1.6
127.03903	2.6
131.08554	11.0
133.10123	14.0
135.11681	8.7
139.67778	1.9
143.08525	5.2
145.10080	3.3
147.11617	3.1
149.13278	16.7
157.10139	2.8
159.11720	11.2
177.12688	3.2
185.13199	2.2
195.11906	2.4
195.13763	12.0
195.75127	1.7
197.13155	2.1
213.14755	2.6
246.77632	2.0
269.17465	69.8
337.27475	3.6
343.26120	2.5
353.24762	3.1
371.25748	3.5
445.29465	15.3
453.58685	2.1
463.30530	100.0
464.30670	4.3
495.27026	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	499.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.3
53.03936	1.0
55.01880	0.6
56.96571	0.3
57.03432	0.5
61.02905	0.5
69.03425	3.0
69.39893	2.0
69.40302	0.8
71.04988	0.5
79.01855	2.6
81.03416	6.3
85.02899	3.4
93.03379	0.5
95.04961	0.3
97.02888	5.9
99.04430	0.8
103.03947	1.2
107.01316	1.3
109.02878	5.0
125.02348	4.1
127.03920	6.4
135.04401	0.5
139.03900	7.9
143.03391	5.9
145.04939	1.2
151.03859	0.6
153.01823	100.0
153.02774	3.6
154.02162	0.5
163.03893	2.4
166.05022	0.4
167.03362	2.5
171.02882	11.4
176.59813	0.3
177.05424	0.5
181.04945	2.0
185.04436	1.7
187.04005	0.4
189.60405	0.3
191.03430	1.3
195.02902	0.5
201.05450	0.7
205.04926	1.5
209.04483	1.9
213.03937	0.7
219.02847	0.4
227.05499	0.8
229.04897	1.6
233.04424	0.7
247.06023	2.1
255.04982	2.0
257.04449	1.1
272.02039	0.4
275.05310	1.6
293.08582	0.4
297.06042	7.7
311.07513	0.4
315.07117	6.0
337.07260	0.4
379.08484	1.2
391.08591	0.4
421.98697	0.4
499.14047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.3
57.03430	0.1
59.11026	0.1
67.05472	0.2
70.06583	0.3
71.04981	0.2
71.60479	0.1
77.73133	0.1
79.05489	0.3
81.03423	0.5
81.07050	0.2
85.02885	0.3
85.47424	0.1
86.09673	0.2
90.37614	0.1
91.05461	1.3
93.07043	0.2
95.04961	0.2
97.02863	0.2
99.52418	0.1
103.05488	0.2
104.06226	0.3
105.07024	3.3
107.08572	0.2
116.06259	0.2
117.07021	0.2
123.04437	0.2
132.08070	1.2
133.08862	10.8
137.05949	0.3
144.08054	0.2
146.09613	0.5
147.04384	0.2
147.10489	0.2
148.11198	100.0
149.11563	1.7
153.01831	0.3
154.12956	0.2
157.07542	0.2
162.05460	0.1
173.81685	0.1
188.03694	0.1
188.32144	0.2
189.04062	0.1
193.12239	0.2
194.12555	0.2
208.23264	0.2
211.07748	0.1
223.97328	0.1
234.98801	0.1
268.16205	0.2
286.17270	0.2
307.20065	0.3
319.01080	0.2
325.00244	0.4
343.01117	0.4
361.02292	4.2
379.03381	1.9
384.03793	0.3
391.22351	0.8
395.10004	0.1
425.22787	3.2
453.22293	1.4
475.05649	1.1
493.06342	0.2
497.21350	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	498.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.3
52.60841	0.3
53.03934	1.0
57.03438	0.5
61.02914	0.3
68.49930	0.3
69.03429	3.6
70.06583	0.4
71.04987	0.8
71.17406	0.8
73.92254	0.3
79.01850	2.4
81.03418	8.4
81.07055	0.6
85.02905	3.7
91.05492	0.3
93.07056	0.3
97.02274	0.5
97.02890	6.7
99.04441	1.2
105.07046	0.4
107.01308	1.3
107.08582	0.3
109.02882	5.7
115.03979	0.3
120.49506	0.3
121.06396	0.3
123.04346	0.4
125.02338	2.9
127.02955	0.4
127.03908	7.3
137.06013	0.3
143.03406	4.7
145.04958	1.7
147.04416	0.4
153.01823	100.0
154.02139	1.2
169.12271	0.8
171.02887	13.6
183.10434	0.3
209.11807	0.4
220.27876	0.3
279.04834	0.4
297.06027	10.7
315.07092	14.3
484.57883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.0
57.03436	5.8
61.02913	5.1
61.87318	1.8
67.05503	33.4
69.03423	3.1
69.07065	7.4
69.96224	3.4
69.96638	8.3
71.04984	12.4
78.29436	1.9
79.05494	11.7
81.06573	3.2
81.07053	57.9
83.04990	2.5
83.08604	4.6
85.02888	6.7
85.06541	6.0
91.03931	3.0
91.05480	12.4
93.07043	23.1
95.08592	9.3
97.02856	3.2
97.06524	4.7
98.20815	2.9
99.08076	2.8
103.03960	2.3
105.07030	3.7
107.08585	9.9
109.06522	2.0
109.10133	3.5
111.08094	2.6
117.06994	3.1
119.05000	2.3
119.08588	2.0
121.10150	5.2
123.04435	12.7
123.11700	6.9
127.03886	2.3
127.07502	2.5
131.08560	6.9
133.10126	12.6
135.11716	5.8
139.03906	13.3
147.04436	6.3
149.13260	11.1
151.11185	3.5
153.01735	2.1
159.11679	24.5
163.07623	2.2
177.00591	2.3
177.12750	32.8
179.14317	7.7
187.13284	8.3
195.13808	4.5
243.15903	34.5
251.16513	10.1
261.76114	2.3
269.17462	100.0
273.57715	1.9
301.20096	17.7
313.11737	7.0
373.13937	18.3
445.24283	7.9
487.75998	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81870	2.2
53.03937	4.1
55.05501	9.5
57.03439	14.6
57.07065	4.0
58.06592	5.5
67.05169	3.3
67.05503	52.3
69.07060	17.5
71.04975	4.2
71.60014	3.5
77.35925	2.1
79.05486	32.2
81.07051	64.7
83.04965	5.5
83.08599	12.6
85.06540	4.5
85.60754	2.4
91.05471	14.0
93.07037	51.7
95.04939	5.7
95.08595	18.6
97.06510	12.4
99.08057	2.4
105.07020	7.7
105.52055	2.0
107.08588	27.2
111.08075	8.2
117.07018	4.6
119.08550	3.7
121.10120	17.1
131.08572	9.9
133.10115	8.4
135.11702	5.8
140.67734	2.6
149.13252	34.8
159.11716	16.1
162.79045	2.2
177.12703	5.6
186.13873	2.0
195.13783	16.5
199.44865	2.2
202.45218	2.1
211.75897	2.3
213.14743	2.8
228.23289	3.9
232.64325	2.1
236.14890	18.5
269.17462	96.4
310.14996	2.3
313.27164	4.1
463.30502	100.0
480.37024	4.5
498.25418	3.9
498.37704	22.3
520.73621	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	497.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04217	0.1
69.07046	0.1
71.59582	0.1
73.02927	0.1
79.05475	0.3
85.02900	0.3
86.09717	0.1
91.05467	0.9
93.07021	0.2
103.05430	0.3
104.06235	0.2
105.07028	3.2
109.02869	0.1
115.19961	0.1
117.06999	0.2
118.06538	0.3
131.04886	0.4
132.08067	0.9
133.08864	9.9
144.08121	0.1
146.09605	0.2
147.10349	0.1
148.11200	100.0
149.11562	0.9
153.01848	0.7
154.02151	0.2
230.42845	0.1
240.99016	0.1
242.09813	0.1
287.05508	0.1
307.20135	0.2
343.01038	0.2
361.02267	2.0
379.03326	1.0
379.22275	0.5
391.22235	0.2
407.21707	0.2
425.22824	2.2
442.88882	0.1
444.48541	0.1
453.22345	1.6
475.05695	0.3
497.21277	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	497.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00474	0.8
54.97131	0.9
55.05493	1.1
61.02901	1.1
65.03928	1.2
67.05485	2.5
69.03418	4.1
69.07065	48.5
71.04988	1.0
71.33423	1.4
72.06413	1.1
73.02896	1.8
78.38480	0.8
80.14413	0.9
81.03415	1.7
81.07046	4.0
85.02899	7.5
92.04988	1.6
92.49512	0.9
94.06564	2.4
97.02869	2.5
97.06525	7.9
109.02854	1.2
111.04415	1.7
122.06009	5.2
124.07541	1.2
127.03902	1.1
128.07042	1.1
133.08818	1.2
135.11626	1.1
137.05940	2.2
138.05470	3.1
140.07077	4.5
145.04984	1.0
145.08884	1.8
146.09641	1.9
148.11205	4.1
148.74576	0.9
150.05495	58.4
157.08881	1.0
158.06007	1.3
160.07593	1.7
161.08345	3.5
162.09096	3.5
166.03688	1.7
166.04991	19.0
167.07323	1.0
168.06592	1.1
172.11209	3.1
173.08365	1.7
174.09077	1.1
174.12772	5.2
176.03430	5.3
178.04999	1.3
180.64296	1.1
185.08415	1.9
186.07538	1.4
188.10706	1.5
190.12312	6.2
194.04533	1.8
195.46988	0.9
200.10823	5.0
202.12222	5.3
204.10135	0.9
210.14943	1.1
216.10153	3.1
218.08066	1.1
218.11758	20.4
228.10190	10.1
234.11194	1.5
244.09744	1.6
245.12717	1.5
246.11247	19.3
256.09644	1.3
257.09103	2.2
271.10773	3.9
272.09180	2.7
273.12277	2.2
274.10602	3.1
279.82184	0.9
287.05307	1.0
287.10239	6.7
289.11716	8.7
299.10303	4.2
303.04703	1.0
317.11285	28.4
318.09604	1.9
335.12350	100.0
337.20990	1.1
351.56003	1.1
361.02136	1.4
495.84595	1.1
497.16602	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	496.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.8
57.03418	3.3
59.04995	2.4
61.02914	0.9
67.05488	1.6
69.03457	1.3
69.07068	1.5
69.76436	4.4
69.76850	1.7
71.04990	28.9
72.14127	0.9
73.02901	1.6
73.06542	2.7
75.04485	1.2
79.05471	3.4
81.03395	1.6
81.07050	18.1
83.04977	5.2
85.02897	32.4
90.30779	0.8
91.05472	2.3
93.07038	10.8
95.08593	3.1
97.02903	1.3
97.06515	1.7
107.08595	8.2
109.10177	2.1
111.04431	4.0
127.03901	2.8
129.05463	12.5
135.11693	20.0
147.04364	2.4
147.06505	6.3
153.01799	2.5
153.12740	100.0
154.13120	1.4
194.46437	0.9
255.08771	1.2
273.09851	1.3
282.02710	1.1
283.40976	1.1
291.10675	1.1
303.05051	1.0
309.11655	1.1
335.12283	1.2
345.04565	1.2
382.20721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	1.4
57.03426	0.4
57.05811	1.1
57.07072	3.9
65.39601	0.3
67.05498	1.2
69.07070	0.7
70.06584	2.6
70.27461	0.6
70.27850	0.8
71.08626	2.8
72.08153	100.0
79.05520	0.3
79.11987	0.3
80.13170	0.3
81.07056	1.1
83.08629	0.4
85.10184	1.6
90.09181	3.4
93.07053	0.4
95.08618	1.9
97.10159	0.5
108.74806	0.3
109.10184	0.5
112.42070	0.3
128.51642	0.4
170.05782	5.4
244.09584	0.6
327.28912	21.8
328.29370	0.7
396.96060	0.4
478.32971	1.9
496.34137	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.9
61.02921	1.6
68.04976	1.1
69.03419	6.4
69.78929	1.9
69.79340	4.3
79.01852	3.7
79.86578	1.0
81.03392	5.2
85.02890	8.3
97.02881	3.9
98.97536	1.7
99.04428	1.8
102.25508	1.0
107.01290	1.9
109.02882	4.7
116.98616	1.2
121.44987	1.1
123.04396	1.3
125.02338	3.3
127.03915	7.8
127.09959	1.3
137.06007	1.2
143.03392	3.9
145.05011	1.8
147.04327	1.4
147.06512	1.4
153.01819	100.0
153.02769	3.6
155.14713	1.0
171.02863	9.0
196.76353	1.1
237.03003	1.4
246.65324	1.3
253.47519	1.1
297.06009	2.3
315.07013	11.2
317.11325	1.7
497.08508	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	496.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16039	0.6
53.03930	1.5
55.30325	0.5
69.03427	3.0
69.28921	5.0
69.29331	1.2
71.04956	0.6
75.25832	0.5
79.01858	2.5
81.03417	6.9
85.02908	2.6
97.02885	5.3
99.04431	0.7
107.01299	1.5
109.02866	4.8
112.65836	0.5
119.04964	1.0
125.02367	3.2
127.03907	7.6
143.03378	6.0
145.04959	1.7
147.04405	3.1
153.01816	100.0
154.02136	1.0
171.02876	14.3
279.05051	0.6
297.06055	12.5
315.07071	15.7
459.33359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03943	0.8
55.01852	0.3
65.03938	0.7
69.03427	2.5
71.04986	0.7
71.48246	0.5
79.01846	4.8
81.03410	9.0
85.02895	2.3
91.05479	4.5
93.03380	0.7
95.04961	3.2
97.02891	4.9
99.04425	1.1
107.01313	1.8
107.04951	4.5
109.02872	3.8
119.04935	7.5
120.04468	3.4
121.06477	0.8
123.04420	13.9
123.05322	0.8
125.02341	5.6
125.04711	1.4
127.03909	6.0
135.06789	0.6
136.07570	23.7
143.03380	9.1
145.04970	0.7
147.04396	5.0
148.03908	0.7
153.01819	100.0
153.02791	3.9
154.02162	1.2
160.07590	0.8
165.05469	18.4
166.04971	6.9
171.02882	9.0
178.08644	1.2
182.08116	29.2
224.09149	2.5
226.55354	0.3
244.09615	0.7
272.09271	0.9
280.08505	0.4
290.10165	1.0
297.06012	6.6
308.11209	0.6
315.07013	3.4
316.66257	0.4
334.09320	0.4
360.02292	0.3
432.13028	0.4
460.12128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03934	1.1
55.01898	0.5
56.96557	0.5
57.03410	0.7
57.78045	0.4
58.06582	1.4
65.03919	0.6
69.03422	3.4
69.92632	1.9
71.04961	0.4
74.90935	0.4
79.01843	3.5
81.03411	7.2
84.04436	0.4
85.02908	3.4
87.04422	0.5
91.05479	4.1
93.03401	0.4
95.04961	2.2
96.35728	0.5
97.02890	5.8
97.22416	0.3
98.49528	0.4
99.04449	0.7
103.05438	0.6
104.63360	0.4
107.01286	1.4
107.04946	5.2
109.02863	4.3
119.04945	8.5
120.04450	4.2
121.06487	0.8
123.04424	11.1
125.02352	3.4
125.04727	1.5
127.03920	5.7
135.06769	0.4
136.07565	23.1
137.05943	0.9
138.12408	0.4
143.03392	7.1
145.04947	1.0
146.06020	0.6
147.04398	5.0
148.03958	1.1
148.07553	0.5
153.01820	100.0
154.02138	0.8
154.08632	0.5
158.99635	0.5
165.04391	0.3
165.05460	17.2
166.04980	7.3
171.02882	9.6
178.08636	1.6
182.08116	33.5
183.08437	0.5
184.10466	0.4
217.61197	0.4
224.09200	2.2
232.92157	0.4
238.61029	0.4
244.09775	0.6
245.05002	0.3
272.09171	1.2
281.06995	0.6
290.10260	1.7
297.06042	7.5
308.11316	0.8
315.07080	3.0
460.12186	0.8
468.11264	0.6
478.13373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.1
55.01860	4.8
55.05265	1.4
55.05509	25.9
57.03433	16.6
59.04988	1.5
64.52224	1.2
65.03942	3.0
67.05502	43.8
69.03439	5.4
69.07061	11.8
69.76665	6.6
70.06589	1.9
71.04992	9.4
79.05491	44.2
79.05952	2.3
79.57416	1.4
80.47447	1.2
81.03414	86.5
81.07054	47.2
83.04977	23.7
83.08611	33.6
85.02901	50.7
85.03664	1.6
85.06548	3.1
87.04422	1.4
91.05477	57.3
93.07037	31.3
94.98277	1.1
95.04961	40.7
95.08605	19.7
97.02882	4.8
97.06540	6.2
97.10175	7.7
98.20662	1.4
99.08106	1.3
100.11215	2.8
103.05414	1.5
105.07028	35.3
107.04955	12.0
107.08591	14.1
109.06515	11.2
109.10140	5.9
111.04434	5.0
111.08079	16.7
113.06010	4.9
115.05463	3.4
117.06225	1.1
117.07015	5.0
119.08578	30.7
121.06522	3.9
121.10139	13.7
123.08077	4.6
123.11721	4.0
125.05972	2.0
125.09616	4.4
129.07002	17.1
131.08551	19.5
133.06499	6.5
133.10143	14.0
135.08092	2.1
135.11703	1.9
137.09602	3.1
142.07779	5.0
143.08598	1.1
145.10129	3.5
147.08054	5.8
147.11687	23.7
149.09633	8.9
151.11259	1.4
157.10118	21.4
163.11169	2.3
165.12787	4.3
175.11174	21.9
193.05003	2.3
193.12231	84.7
205.04980	6.2
211.13280	100.0
212.13660	2.5
227.12801	1.7
233.15395	1.5
252.79575	1.3
267.15915	7.6
285.17004	3.7
343.08105	2.2
367.22668	2.2
385.23621	1.6
403.24594	2.2
449.28479	1.5
459.27637	2.4
477.28473	4.8
495.29547	71.2
496.29761	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	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02114	0.6
53.03943	3.0
55.05507	24.6
57.03435	14.9
57.07069	0.8
59.04994	1.3
65.03928	3.2
67.05501	40.1
69.03439	6.1
69.07062	10.2
71.01341	0.9
71.04987	7.1
73.02921	0.7
77.03904	0.7
77.12695	0.6
79.05003	0.6
79.05487	41.1
81.03413	92.6
81.07051	45.6
81.07434	0.7
82.03736	0.7
83.04974	20.0
83.08611	33.4
85.02899	47.8
85.06537	4.0
85.69942	0.6
91.05473	50.7
93.07039	28.6
93.07513	0.4
95.04964	41.6
95.08598	15.8
96.88663	0.6
97.02888	5.3
97.06533	6.9
97.10159	5.9
99.04480	0.8
99.08122	1.6
101.93791	0.6
103.05499	1.0
105.07022	35.7
107.04949	9.9
107.08588	12.2
109.06511	7.6
109.10129	5.3
111.04442	5.4
111.07349	1.3
111.08076	14.2
111.08849	0.8
113.06002	4.6
115.05457	3.0
117.07022	4.3
118.07263	0.7
119.04897	0.8
119.08573	29.0
121.06488	2.8
121.10139	14.2
123.04432	0.9
123.08065	4.8
123.11706	3.8
125.05973	0.8
125.09599	4.0
127.07543	0.8
128.06216	1.5
129.06998	18.0
131.07578	0.8
131.08566	17.1
133.06499	3.9
133.10118	14.2
133.54457	0.7
135.08054	1.4
135.11700	1.2
137.05963	1.1
137.09601	3.1
139.03894	1.5
141.07013	1.1
142.07758	4.1
145.06480	0.7
145.10126	3.1
147.08044	4.2
147.11673	21.8
149.09607	8.1
151.11128	1.1
155.08565	0.7
157.10127	19.1
161.09564	0.6
163.11195	1.8
165.12738	5.5
175.11168	25.4
183.13637	0.8
189.11278	1.3
193.12230	87.9
194.12553	1.5
198.63684	0.6
209.11765	1.0
211.13278	100.0
212.13588	1.5
227.12807	1.3
229.14241	0.8
247.91223	0.6
267.15863	8.8
283.15378	1.2
285.17026	3.7
359.22131	1.2
367.22897	1.1
385.23810	1.9
403.24796	1.8
431.28177	1.2
459.27380	3.6
464.17545	0.9
477.28467	5.9
495.29535	82.4
496.29828	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	495.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.8
55.05508	5.5
55.55925	0.5
56.96550	0.7
57.03429	2.3
61.02909	1.2
61.38912	0.4
65.03934	0.5
67.05499	14.2
69.03397	2.0
69.07054	3.1
71.04964	1.6
71.87742	0.5
73.02898	1.1
79.05055	0.8
79.05482	10.6
81.03413	5.5
81.07053	13.4
83.04968	2.7
83.08610	3.5
85.02894	2.6
85.06506	0.7
91.03922	0.6
91.04961	0.7
91.05476	9.4
93.07047	7.6
95.04964	5.8
95.08588	4.7
97.02850	1.7
97.06520	2.4
97.10137	2.1
103.05435	1.6
105.07024	6.5
107.04966	2.4
107.08586	5.5
109.02888	0.7
109.06484	2.2
109.10153	2.6
111.04411	2.0
111.08049	2.1
117.06985	2.2
119.08577	4.6
121.06496	2.3
121.10134	4.1
123.04466	0.9
123.08026	0.8
123.11705	1.0
125.06045	0.5
125.09599	0.9
129.06982	2.0
131.04886	0.6
131.08577	3.4
131.09460	0.8
133.02794	0.5
133.06433	0.9
133.10132	3.7
135.04376	0.9
135.08060	0.6
135.11639	2.3
137.05916	0.8
137.09575	0.7
140.04620	1.3
141.06944	0.7
143.08548	0.8
145.06494	0.5
145.10088	1.9
147.04349	0.9
147.08015	0.6
147.11682	2.6
149.09583	1.6
149.13232	2.4
153.01820	3.3
153.05479	2.9
155.08482	0.7
157.10078	1.6
159.11716	1.2
161.02254	0.5
161.05905	0.7
161.09512	1.0
163.11183	2.2
165.05507	0.8
165.12691	0.8
166.06310	0.6
168.07864	2.3
169.10164	0.6
171.11623	0.9
173.09621	0.8
173.11649	0.6
175.11159	1.3
177.05507	0.8
178.06177	0.6
180.07713	0.6
181.04921	1.2
181.12318	0.6
186.50206	0.6
189.11143	1.1
191.07045	0.7
191.10562	1.4
193.12270	3.1
195.13860	1.1
196.07376	0.8
203.03386	8.9
203.10703	0.8
209.11685	4.3
211.13264	3.0
219.28935	0.5
227.12747	2.4
229.04936	7.0
241.05081	0.7
242.05695	2.7
257.04437	92.2
258.05133	4.1
267.15906	2.2
269.04407	0.8
269.17252	0.9
270.05411	0.8
271.05856	0.6
283.15381	1.5
285.03989	4.6
285.10089	1.1
285.16977	0.6
286.04651	9.2
287.05472	9.1
297.03900	7.1
324.11545	0.8
329.21246	1.2
357.24249	0.7
367.22852	0.6
385.23553	1.3
387.08383	0.7
403.24957	2.0
419.07718	0.8
421.09201	0.6
421.25919	1.0
431.27963	0.5
433.09357	0.8
449.28833	0.8
459.27921	1.2
465.12076	2.5
477.11731	1.9
477.28491	3.8
480.10977	0.6
494.30057	0.5
495.12839	100.0
495.29047	10.8
496.13339	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	495.1284
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
51.02366	0.5
53.03938	0.9
55.05506	3.7
56.96556	1.6
57.03440	2.1
57.07085	0.5
61.02918	1.1
65.03926	1.2
67.05497	7.5
68.99799	1.1
69.03420	1.1
69.07063	4.6
71.04983	1.8
71.33705	0.6
72.11916	0.4
73.02898	1.0
74.02885	0.4
79.05487	6.6
81.03407	4.4
81.07052	10.6
83.04977	2.5
83.08596	2.5
85.02892	2.5
85.06526	0.8
91.03949	0.7
91.05469	10.3
93.07037	6.1
95.04964	3.1
95.08592	4.0
97.02895	1.2
97.06535	1.5
97.10162	0.8
99.08088	0.6
102.04671	4.5
103.05466	1.3
105.07026	5.7
107.04941	2.5
107.08579	3.4
109.02887	0.9
109.06493	1.0
109.10135	1.3
110.03697	0.6
111.04439	0.8
111.08071	1.0
115.05417	0.6
117.07010	1.7
119.04962	4.1
119.08560	3.2
121.06521	0.7
121.10136	2.3
123.04414	0.5
123.08068	0.8
123.11718	1.4
124.05200	2.7
125.05985	0.7
125.09639	1.1
129.07007	1.2
130.04146	7.7
131.04892	3.0
131.08560	1.9
132.05711	0.4
133.02873	0.6
133.06519	0.7
133.10098	2.3
135.04359	2.2
135.08058	1.0
135.11684	2.0
136.05240	0.8
137.02330	0.5
137.05957	5.2
145.06493	1.0
145.10143	1.0
146.03583	2.3
147.03221	0.6
147.04404	12.6
147.11653	3.7
148.05177	3.0
149.06001	0.8
149.09618	1.0
149.13248	1.4
150.06770	3.3
151.07515	1.3
151.11160	1.6
153.01808	4.3
157.06624	0.5
157.10153	0.9
159.04385	0.9
159.11679	0.8
161.05951	2.9
162.06741	18.6
163.11209	1.1
165.01884	0.5
165.12764	2.3
175.11191	0.9
177.05505	0.5
181.12347	0.4
183.11685	0.5
183.13777	0.7
185.06015	0.5
187.03947	2.0
189.11292	0.4
193.12201	2.7
195.03004	0.4
195.13832	1.0
197.06003	0.5
209.11682	1.1
211.13309	2.0
213.05482	1.7
216.04251	1.7
217.03061	0.4
217.04788	1.9
227.12776	1.8
228.04224	1.7
229.04999	2.6
231.02907	0.5
231.06535	0.9
241.04950	3.2
243.02890	1.2
243.06537	1.2
243.08957	0.8
244.03661	4.8
245.04347	2.7
247.02458	0.5
250.06158	0.5
253.05095	0.6
255.09015	0.7
256.03558	0.6
257.04477	5.2
258.05261	0.8
259.05972	4.7
267.09171	0.7
267.15967	1.9
269.04364	2.1
270.05429	0.5
271.05966	2.2
272.03146	1.4
273.03922	3.4
283.06064	1.1
285.03912	2.7
285.10129	1.7
285.16989	0.5
286.04779	1.0
287.05490	17.1
298.04501	0.5
299.05460	1.2
301.03394	7.4
301.06769	0.9
302.04184	3.9
311.05264	0.5
313.03412	6.9
314.03732	0.6
315.04947	5.0
316.05783	3.3
317.06543	2.3
320.06839	0.7
327.04974	4.1
331.15656	0.7
343.04465	4.2
347.15338	0.5
349.16864	1.5
353.06421	4.3
357.06339	1.0
364.14908	0.6
365.15967	0.8
371.07693	1.7
385.07108	0.7
385.23575	0.5
403.25046	0.5
414.07248	1.1
430.06662	0.8
445.09192	3.5
447.07074	1.2
461.08945	0.9
462.09567	1.3
465.11774	2.9
477.11871	8.0
477.28589	1.7
495.12830	100.0
496.13208	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	494.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44461	0.7
53.03928	0.7
54.39104	0.5
55.05511	10.6
57.03445	5.6
57.07070	6.2
58.06599	21.2
67.05176	0.7
67.05500	9.1
69.06728	1.2
69.07068	18.1
71.08630	3.0
71.60252	0.9
72.08150	5.6
73.76727	0.7
76.17321	0.7
79.05492	5.0
81.07054	12.3
83.04954	1.0
83.08143	0.8
83.08614	12.7
85.10210	1.3
91.05483	3.1
91.56815	0.6
93.07038	7.7
95.04941	0.9
95.08046	0.8
95.08602	10.3
97.02888	0.6
97.06519	2.6
97.10165	6.2
104.20372	0.6
105.07014	1.7
107.08613	4.0
109.10165	5.5
111.08055	1.6
111.11701	1.5
121.10145	6.3
123.11701	1.4
124.00392	0.6
125.09641	0.7
135.08073	1.0
135.11700	4.9
149.13255	1.0
156.04182	4.8
198.12770	0.6
265.25229	1.4
297.17285	0.7
339.28931	100.0
340.29196	2.3
349.18784	0.7
395.12991	0.7
474.87250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1283
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
52.06598	0.2
53.03933	0.5
55.05509	1.2
56.96555	0.3
57.03418	0.6
61.02904	0.2
67.01852	0.3
67.05498	2.4
68.30758	0.2
68.99761	0.4
69.03403	0.3
69.07044	0.7
70.65872	0.9
71.04952	0.4
79.00803	0.3
79.05489	2.4
81.03377	1.1
81.06659	0.3
81.07047	2.8
83.04954	0.7
83.08603	1.0
85.02876	0.9
86.10154	0.3
90.59986	0.3
91.05479	2.7
93.07033	2.2
95.04974	1.8
95.08587	1.3
97.02823	0.4
97.06504	0.4
97.10166	0.3
102.04637	0.5
103.05453	3.6
104.06238	0.4
105.04527	0.2
105.07032	1.8
106.07290	0.2
107.04916	1.0
107.08553	1.1
109.06536	0.3
109.10107	0.8
111.04423	0.6
115.05463	0.5
117.03323	0.3
117.07019	0.5
118.04164	1.9
119.04885	0.5
119.08562	0.9
121.02871	0.3
121.06462	1.1
121.10115	0.6
123.04389	0.7
125.09590	0.3
129.07005	0.6
130.04135	1.4
131.04927	4.1
131.08562	0.6
132.05704	2.2
133.02812	1.0
133.06430	0.5
133.10059	0.7
134.03653	0.5
135.04358	0.7
135.11690	0.3
137.05891	0.4
140.04663	2.1
145.06467	0.4
145.10049	0.4
146.03586	2.6
147.04414	0.6
147.11649	0.5
148.05168	0.7
149.05948	0.9
149.09590	0.3
149.13213	0.3
151.03893	0.4
151.11122	0.3
153.01817	6.1
153.05362	0.6
159.04430	0.3
160.05217	1.2
161.05954	1.2
162.03070	1.1
163.03903	0.5
163.07555	0.4
163.11122	0.4
164.60547	0.2
165.05421	0.4
166.06204	0.5
167.07076	1.5
171.02879	0.6
173.05983	0.5
174.74236	0.3
176.04636	2.1
177.05444	2.3
178.06238	3.0
179.03377	0.3
179.06966	0.2
182.09358	0.3
191.07031	3.2
192.07826	1.7
193.04916	0.4
193.12193	0.9
195.13765	0.3
197.05936	0.4
203.03398	6.4
209.11639	0.4
210.08905	0.2
211.13248	0.7
213.05447	1.1
227.12791	0.4
229.04941	5.9
241.04979	1.1
242.05717	10.8
243.06219	0.4
253.04932	1.9
255.06509	0.4
257.04434	50.2
258.05209	16.3
259.05832	0.4
263.95325	0.3
269.04486	1.8
270.05109	1.9
271.05939	2.4
277.06897	0.2
283.05933	0.6
285.03925	7.2
285.09967	0.3
286.04691	28.0
287.05472	18.2
295.06079	0.5
297.03894	4.8
299.05469	1.5
300.06342	1.0
301.06946	0.3
323.05618	0.4
324.11801	0.3
327.04883	1.9
341.06525	1.9
359.09225	0.3
373.07248	0.4
374.07690	0.3
387.08618	0.4
388.09189	0.3
391.08395	0.4
402.07626	0.5
413.34973	0.3
416.08896	0.9
417.09601	0.3
419.07739	0.9
421.08899	0.5
431.07538	0.3
433.09244	0.7
444.08057	0.3
445.09656	0.4
447.07266	1.2
449.08344	0.5
461.08746	0.6
462.09268	0.8
465.11801	3.8
477.11792	15.2
477.28442	0.5
478.12097	0.6
495.12833	100.0
496.13144	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	494.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.7
56.05034	2.0
57.03440	1.0
57.07067	1.4
58.06598	100.0
67.05515	2.6
69.07066	4.0
71.59795	1.2
72.35199	0.5
76.07632	5.5
77.82828	0.6
79.05486	0.9
81.07063	2.3
83.08627	2.5
93.07054	1.3
95.08623	1.6
97.10194	1.4
107.08630	1.5
109.10226	1.0
121.10140	0.9
135.11670	0.8
211.26369	0.6
230.07829	1.1
264.73407	0.6
278.47382	0.7
322.31339	0.9
339.28943	27.5
340.29288	1.1
406.94092	0.8
476.31531	1.4
492.92249	0.8
494.32523	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.5
57.03439	9.4
57.07074	46.1
67.05505	50.4
69.03408	3.7
69.07063	16.0
71.01362	4.3
71.04984	5.7
71.08627	30.7
79.05482	31.4
81.03413	7.4
81.07057	36.2
83.04971	9.2
83.08624	16.6
85.10188	18.9
91.05481	16.8
93.07046	43.6
94.11809	3.8
95.04959	5.2
95.08601	34.2
97.06514	7.3
97.10165	19.5
107.04958	3.5
107.08598	25.6
109.10135	22.5
111.11723	4.4
121.10160	5.3
123.11666	4.9
135.11688	43.5
145.10123	7.4
163.11230	4.5
181.12273	10.0
199.18996	3.4
229.67213	4.5
239.23729	8.8
356.65939	3.5
493.30630	10.1
493.38824	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	494.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75120	0.6
55.01870	0.7
55.05501	2.4
57.03172	1.1
57.03433	9.7
59.04985	1.1
61.02917	1.0
61.88615	0.6
67.05490	1.7
69.03423	2.5
69.06716	1.0
69.07065	12.1
69.44379	1.7
69.44796	3.4
71.01359	0.8
71.04990	69.7
73.02914	2.7
75.04475	4.1
78.13100	0.6
79.05487	1.3
81.03400	1.2
81.07053	4.2
83.04980	13.5
85.02901	100.0
87.04456	2.8
91.05500	0.8
93.07055	1.0
95.04966	0.6
95.08595	1.3
96.13607	0.5
97.02878	4.3
98.20779	1.2
99.04455	1.8
101.06010	0.7
103.03984	1.5
107.08568	0.5
109.02869	0.8
109.06525	1.0
109.10185	2.1
111.04429	6.2
121.10133	0.9
123.04411	1.6
123.11708	10.2
124.03956	1.9
127.03885	3.1
129.05476	43.3
141.61163	0.7
144.06552	0.7
145.04956	1.6
146.08134	1.4
147.06520	20.3
151.11177	19.2
151.12335	1.2
159.68382	0.6
162.07707	0.8
164.07976	0.7
164.09242	2.7
165.07564	0.6
169.12204	0.7
233.15527	0.6
244.50148	0.6
255.08699	1.2
260.13605	0.6
273.09863	1.0
297.16956	12.2
300.12857	0.6
311.05511	1.2
369.47595	0.7
495.12967	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	493.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01857	5.0
55.05509	25.0
57.03434	15.1
63.19840	2.8
65.03923	5.3
67.05501	92.1
69.03426	3.1
69.07063	24.5
69.25954	5.2
69.26358	30.3
71.04971	2.8
72.08159	5.0
73.06555	3.0
79.05490	96.8
79.88751	2.7
81.03427	15.2
81.07056	92.6
83.04971	21.2
83.08621	15.0
85.06544	5.9
91.05475	65.5
93.07043	100.0
95.04955	26.9
95.08600	32.3
97.06528	13.0
97.10198	6.3
105.07024	47.7
107.04963	5.9
107.08595	34.6
109.06503	7.1
109.10137	5.6
111.08072	8.5
117.07018	17.0
119.08567	19.4
120.08106	11.0
121.06491	3.6
121.10152	16.5
123.08075	5.6
123.11716	3.3
125.09690	3.1
129.06970	15.3
131.08566	8.9
133.10126	14.0
135.11658	5.5
140.94333	2.8
143.08539	8.9
145.10114	9.0
147.11682	36.9
149.09532	3.4
149.13257	33.6
159.11656	13.8
161.09758	3.4
161.13255	9.6
171.11688	31.3
175.28445	2.7
177.12804	5.7
189.12744	9.8
193.12155	3.7
195.13766	12.0
207.13844	30.9
211.13217	6.4
225.14790	6.4
252.47078	2.8
269.17468	47.7
276.62662	3.3
281.17471	47.3
289.14368	2.9
289.98596	3.2
296.04800	2.9
366.54434	3.4
475.30646	98.8
476.30771	4.7
493.27853	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	493.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.6
55.01857	5.0
55.05509	25.0
57.03434	15.1
63.19840	2.8
65.03923	5.3
67.05501	92.1
69.03426	3.1
69.07063	24.5
69.25954	5.2
69.26358	30.3
71.04971	2.8
72.08159	5.0
73.06555	3.0
79.05490	96.8
79.88751	2.7
81.03427	15.2
81.07056	92.6
83.04971	21.2
83.08621	15.0
85.06544	5.9
91.05475	65.5
93.07043	100.0
95.04955	26.9
95.08600	32.3
97.06528	13.0
97.10198	6.3
105.07024	47.7
107.04963	5.9
107.08595	34.6
109.06503	7.1
109.10137	5.6
111.08072	8.5
117.07018	17.0
119.08567	19.4
120.08106	11.0
121.06491	3.6
121.10152	16.5
123.08075	5.6
123.11716	3.3
125.09690	3.1
129.06970	15.3
131.08566	8.9
133.10126	14.0
135.11658	5.5
140.94333	2.8
143.08539	8.9
145.10114	9.0
147.11682	36.9
149.09532	3.4
149.13257	33.6
159.11656	13.8
161.09758	3.4
161.13255	9.6
171.11688	31.3
175.28445	2.7
177.12804	5.7
189.12744	9.8
193.12155	3.7
195.13766	12.0
207.13844	30.9
211.13217	6.4
225.14790	6.4
252.47078	2.8
269.17468	47.7
276.62662	3.3
281.17471	47.3
289.14368	2.9
289.98596	3.2
296.04800	2.9
366.54434	3.4
475.30646	98.8
476.30771	4.7
493.27853	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	493.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.0
53.98444	2.1
55.01863	15.6
55.05260	3.9
55.05511	47.3
57.03436	16.7
64.12891	2.3
65.03934	4.2
67.05502	81.7
69.03429	7.1
69.07062	19.4
70.16296	8.4
71.04995	9.5
73.02922	5.8
77.54082	2.0
79.05054	5.2
79.05493	68.8
81.03416	88.7
81.06581	3.4
81.07060	69.3
83.04979	27.9
83.08617	41.4
85.02913	18.4
85.06536	6.6
91.05479	58.5
91.06009	4.7
93.03368	3.3
93.07044	68.6
93.32024	2.4
95.04968	51.2
95.08601	43.3
97.02886	7.3
97.06543	11.2
97.10161	19.6
99.04505	2.4
105.03354	3.2
105.07023	41.0
107.04948	32.0
107.08601	40.9
109.06523	10.8
109.10157	30.0
111.04448	16.8
111.08082	13.7
113.05980	2.9
116.84021	2.5
117.07002	21.9
117.07621	2.2
119.04926	2.9
119.08582	31.7
121.02868	13.3
121.06494	19.4
121.10155	24.3
123.04416	5.4
123.08058	6.7
123.11707	3.0
125.05996	4.2
125.09604	14.9
129.07019	17.4
131.04880	4.3
131.08582	21.8
133.06470	6.8
133.10129	17.2
135.04414	6.1
135.08066	9.2
135.11693	41.6
139.03889	3.0
140.21001	2.2
141.07019	3.2
142.07878	2.4
143.08578	3.5
145.06490	4.5
145.10138	30.7
147.04390	4.0
147.08047	10.4
147.11684	14.4
149.06075	2.8
149.09621	10.9
150.28468	2.5
151.11270	3.4
153.09106	4.4
153.12793	11.5
153.84862	2.3
155.08545	3.1
157.10130	13.7
159.08058	3.3
159.11685	4.0
161.06084	2.5
161.09528	2.7
163.11192	52.7
165.12778	4.8
173.09598	7.6
173.11809	4.3
173.13228	3.3
175.11186	13.4
181.12225	15.7
183.11723	4.1
189.11214	12.9
189.12732	2.6
191.10680	8.9
193.12244	48.1
201.12805	3.3
209.11691	12.5
211.13269	53.8
211.15211	3.0
219.13829	8.2
227.12782	100.0
229.12259	2.8
229.14262	5.6
231.13855	6.5
247.13321	26.2
249.14937	10.2
259.13278	5.2
265.14395	3.1
267.15866	18.7
283.15518	14.4
321.16891	7.7
355.22690	4.2
365.20816	4.4
373.23566	4.2
383.22293	10.6
401.23151	14.1
447.27582	3.2
457.25931	3.6
475.26898	42.4
493.27933	99.9
493.35150	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	493.2792
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.96092	1.9
53.03936	7.5
55.01866	17.7
55.05260	3.0
55.05506	42.6
57.03422	14.6
57.07067	2.6
59.05000	3.0
62.14855	2.1
65.03931	4.3
67.05495	58.8
69.03420	6.4
69.07053	15.9
69.60011	3.8
69.60420	12.8
71.04974	8.4
79.05489	54.6
81.03408	70.3
81.07052	42.3
83.01318	3.8
83.04971	27.0
83.08611	36.8
85.02905	26.5
85.06519	3.7
91.05473	49.1
93.07037	47.4
95.04964	41.6
95.08588	24.1
97.02885	9.0
97.06522	10.8
97.10168	15.0
99.04422	4.5
100.81681	2.3
103.05523	2.6
105.07019	34.5
107.04951	20.1
107.08585	29.9
109.02831	3.2
109.06493	10.4
109.10153	15.0
111.04456	14.8
111.08056	15.8
115.05415	3.0
116.27077	1.9
117.07000	10.9
119.04952	3.4
119.08562	23.8
121.02869	5.1
121.06516	10.5
121.10129	18.8
123.08049	8.2
123.11740	4.5
125.09630	12.3
129.07022	15.0
131.08580	18.8
133.06471	5.3
133.10106	10.1
135.08020	4.4
135.11697	17.0
137.09576	3.5
143.08575	2.9
145.06435	4.2
145.10104	23.2
147.04419	3.3
147.08078	6.4
147.11668	15.3
149.09613	9.6
152.07780	2.1
153.12737	12.9
155.08546	4.0
157.10120	13.5
163.11176	28.4
165.12794	2.3
167.08289	2.6
171.10165	2.4
173.09630	3.4
173.11723	2.3
175.11124	13.0
178.03194	2.3
181.12193	11.6
183.11610	2.6
189.09117	2.2
189.11229	6.6
191.10648	10.1
192.99144	2.2
193.12224	49.4
201.12790	2.6
209.11681	21.1
211.13268	48.8
227.12773	22.2
229.14348	3.9
231.13962	2.9
247.13194	15.4
249.14885	5.7
265.14255	3.2
267.15793	14.4
274.22705	2.2
283.15561	10.9
310.17923	2.7
355.22830	3.1
365.21185	6.2
383.22290	8.2
401.23175	9.0
419.24512	2.6
430.26917	2.1
457.25714	3.6
475.26965	24.0
493.27911	100.0
494.28302	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
53.03918	6.2
54.33750	1.8
55.01865	17.4
55.05507	46.5
56.96532	3.2
57.03436	16.0
57.07046	3.5
59.04976	3.5
61.02904	3.1
65.03909	4.7
67.05500	67.0
67.47891	1.8
68.11100	2.0
68.15518	1.9
69.03392	9.4
69.07053	20.2
71.04988	16.5
71.35955	4.8
73.02876	4.5
76.36241	1.9
79.05485	71.4
81.03411	84.3
81.07050	77.7
83.01312	7.9
83.04974	33.3
83.08612	36.3
85.02434	2.1
85.02893	37.9
85.06518	5.3
91.03918	3.0
91.05473	81.1
93.06486	4.3
93.07035	67.8
95.04372	2.4
95.04958	46.6
95.08067	2.2
95.08601	26.7
96.53225	1.8
97.02833	8.0
97.06525	14.6
97.10174	11.4
99.04403	3.2
99.08051	2.8
103.05415	3.7
104.42824	2.2
105.06405	3.5
105.07027	53.4
107.04945	19.5
107.08579	33.5
109.06499	21.6
109.10148	16.4
111.04435	12.9
111.07500	1.7
111.08064	19.7
115.05437	4.4
117.06998	22.4
119.04897	3.5
119.07808	2.5
119.08573	36.5
121.06514	12.4
121.10140	25.2
123.04379	4.6
123.08078	15.8
123.11639	4.2
125.05944	4.7
125.09596	8.0
127.03923	3.1
128.06149	3.4
129.06982	14.1
130.07722	2.9
131.04884	2.4
131.08569	24.5
133.06453	7.2
133.10115	16.3
135.07996	5.0
135.11699	22.3
137.05927	3.5
137.09610	3.2
142.07721	2.7
143.08472	4.8
145.06429	4.1
145.10095	21.7
147.04323	3.1
147.07968	9.2
147.11655	20.8
149.05846	3.2
149.09593	11.0
151.11121	2.4
153.12695	6.3
155.08423	4.3
157.10139	16.0
159.11659	3.7
159.56041	2.4
161.13185	3.1
163.09879	3.7
163.11153	39.1
165.12656	5.8
169.10072	3.3
171.11559	3.6
173.09573	6.4
173.13216	2.9
175.11179	17.3
175.14706	3.1
181.12276	11.3
183.11612	3.2
189.11118	4.5
191.10564	6.6
192.11200	1.9
193.10370	2.9
193.12227	58.6
195.06377	2.6
209.11588	12.1
211.11349	3.6
211.13272	66.2
217.15735	3.0
227.12794	15.8
231.13638	2.2
233.15282	3.3
267.15762	6.7
269.10568	3.6
283.15240	6.1
331.11600	4.7
341.24741	2.3
351.22974	4.9
355.22406	2.5
369.24182	4.0
383.21747	4.0
387.24841	5.3
401.23218	5.0
437.28711	3.6
443.27924	3.8
461.29001	11.8
475.26376	8.0
493.10834	4.9
493.27567	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	492.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92693	0.2
55.01865	0.2
55.05505	1.8
56.05031	2.3
57.03428	0.8
57.05813	0.2
58.06597	100.0
59.06926	0.5
64.77664	0.2
67.05502	4.8
69.07065	1.8
69.72729	1.3
71.04985	0.2
76.07638	5.3
76.54186	0.2
79.05483	1.2
81.07054	4.3
83.08622	0.9
85.06546	0.2
86.61147	0.2
90.96709	0.2
91.05500	0.6
93.07018	1.2
94.29048	0.2
95.08602	3.4
97.10172	0.5
105.07037	0.7
107.08629	0.6
109.10143	1.3
119.08583	0.4
121.10150	0.4
122.62331	0.2
123.11759	0.4
133.10175	0.5
133.77036	0.2
135.11729	0.2
156.04280	0.7
175.14775	0.2
212.06944	0.3
230.07867	1.0
261.85806	0.2
311.30847	0.2
320.29593	0.3
332.07666	0.2
337.27350	19.7
338.27921	0.7
386.84546	0.2
474.29810	0.9
492.30771	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1713
Annotation	Myrciacitrin II
Peak:m/z	Relative Intensity
53.03942	0.4
55.01880	0.5
57.03432	0.6
59.30895	0.4
59.62597	0.4
61.02913	1.5
67.05484	1.0
69.03426	2.7
69.07030	0.5
71.60361	0.6
73.02924	0.6
79.05473	0.9
81.03407	1.8
81.07043	1.6
83.01337	1.3
83.04960	0.9
85.02907	4.4
91.03963	0.5
91.05462	1.5
93.07037	1.0
95.04950	0.9
95.08589	0.7
97.02871	1.8
103.05505	0.6
105.06997	0.9
106.55921	0.4
107.04928	0.8
107.08536	0.7
107.98895	0.4
109.02876	0.9
109.06496	0.9
110.68498	0.4
111.04414	1.2
121.10119	0.5
123.04417	1.4
123.08066	0.4
124.05203	1.7
127.03901	0.9
131.04903	0.9
135.04398	1.9
136.91438	0.4
137.05972	5.7
139.03877	1.9
139.07544	0.9
145.02844	1.1
147.04395	0.9
149.05943	0.6
151.03934	0.5
151.07539	1.0
152.04674	0.6
153.01837	1.7
163.03885	6.2
163.07506	0.9
165.05530	0.9
167.03397	10.7
167.07001	1.7
167.08313	0.4
177.05476	0.5
179.03349	0.5
180.04143	4.2
195.06523	100.0
196.06953	1.2
198.05222	4.2
199.07265	0.4
287.05502	4.2
287.12650	0.7
288.06131	1.6
289.06024	1.7
299.05444	0.5
316.05801	3.7
331.08063	16.4
331.11755	51.3
332.08408	0.8
332.12000	1.4
358.87024	0.4
493.13983	0.6
496.33035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13356	0.4
53.03923	0.6
55.05268	0.8
55.05512	11.0
56.05014	0.4
57.03184	0.6
57.03437	7.0
57.07060	1.4
58.06599	21.8
61.20689	0.4
65.03946	0.9
67.05502	24.3
69.07066	13.5
69.32752	1.1
69.33159	3.1
71.04987	0.6
71.08620	0.9
77.67780	0.4
79.05060	0.4
79.05491	6.4
81.07053	24.3
83.04966	1.0
83.08618	6.9
85.06520	0.6
91.05478	4.6
93.07042	7.0
95.04947	0.7
95.08603	18.2
97.06512	1.2
97.10160	3.5
105.07014	3.5
107.08587	4.0
109.10152	6.6
111.08083	0.7
111.11732	0.8
119.08576	2.8
120.69875	0.4
120.78284	0.4
121.10126	3.2
123.11674	2.8
132.61963	0.5
133.10133	2.9
135.11687	1.4
137.09724	0.5
137.13254	1.1
147.11649	2.0
149.13225	0.6
151.14832	0.5
156.04237	4.0
160.08527	0.4
161.13290	1.1
163.14763	0.5
175.14868	0.6
186.88278	0.4
191.34381	0.4
225.69733	0.5
230.07927	0.5
245.22632	0.5
260.25980	0.4
263.23703	1.0
280.06522	0.4
293.34393	0.4
337.27350	100.0
338.27701	4.0
412.47534	0.4
492.18860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39716	2.1
57.03435	7.7
68.44654	2.6
69.85991	6.1
69.86402	10.9
71.04990	48.4
85.02904	48.1
86.09702	2.6
101.46786	2.2
103.05506	5.1
107.04926	2.5
109.02837	2.3
111.53684	2.2
119.04960	2.7
121.06508	4.9
122.63683	2.8
123.04442	4.2
129.05479	8.8
134.43555	2.3
135.04411	5.8
137.02345	40.1
137.05949	2.4
141.33093	2.4
146.06029	3.7
147.04385	3.8
147.06451	3.7
149.05969	4.5
153.01817	20.3
163.03929	18.1
164.07083	21.3
166.08630	10.5
192.06551	33.2
194.08180	6.6
210.07779	3.4
237.05449	7.6
255.06548	6.6
262.07028	2.8
265.04895	7.5
272.06818	8.4
273.07556	16.9
281.13748	3.7
283.06000	36.1
284.06363	3.2
303.04974	24.2
311.05493	83.9
312.06165	3.0
328.08292	19.7
329.02948	9.5
329.06509	89.5
345.08167	2.9
346.09268	100.0
401.27026	2.5
406.76114	2.4
409.96136	2.5
449.20389	2.4
492.35788	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	492.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	1.8
57.03433	6.2
65.03917	3.0
70.85889	2.3
71.04987	35.0
72.08159	1.6
72.11423	1.2
75.04450	3.2
76.90632	1.2
79.05469	1.7
81.03394	1.4
82.28265	1.2
83.04967	1.5
84.04520	2.8
85.02898	40.5
91.05466	1.7
95.69319	1.3
99.04422	3.3
100.03967	1.4
105.03371	2.2
107.04948	2.0
109.02871	2.3
111.04417	2.8
115.05453	1.2
119.04912	1.5
120.08121	1.3
121.02855	93.7
121.06473	1.3
129.05461	8.3
133.02846	1.7
133.05220	2.1
137.02341	2.2
138.05479	2.6
146.08112	8.3
147.04338	1.1
148.07538	7.8
149.08366	1.9
151.03928	2.5
153.01819	12.5
157.06471	1.7
161.05937	2.2
163.03925	2.4
164.09180	2.7
165.01839	4.5
171.04396	1.6
176.06985	1.2
177.01794	1.9
179.03340	1.3
181.06427	3.4
183.02872	2.2
185.06061	1.8
190.10680	4.2
191.03360	1.1
194.04512	3.3
195.06506	3.6
208.06088	3.4
209.04408	3.8
209.06082	2.0
211.54732	1.2
213.05414	3.7
227.06984	1.5
229.04927	2.4
237.05429	2.9
241.04893	3.4
255.06558	6.1
257.04446	9.4
258.05045	1.4
258.07642	1.6
259.06003	6.2
269.04410	3.0
272.09039	2.1
273.04123	1.9
282.07642	2.4
283.05991	15.2
284.09213	1.3
285.03864	6.4
285.07101	2.7
286.07050	4.8
287.05478	61.9
288.05728	2.1
300.08600	14.6
301.06992	3.6
302.06519	1.6
303.04910	16.3
310.06808	3.7
311.05466	85.2
328.08118	100.0
329.06464	31.3
340.08511	1.5
346.05032	2.3
346.09161	32.7
473.30966	1.3
474.13657	2.5
492.14761	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	491.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.01887	1.2
55.05510	4.0
61.02905	1.0
67.05503	8.0
69.03416	1.7
69.07058	3.4
71.04976	0.9
71.60450	1.5
76.78743	0.9
79.05507	5.0
81.03420	4.1
81.07054	7.8
82.25293	0.8
83.01331	0.9
83.04951	1.4
83.08608	3.4
85.02904	4.0
91.05475	5.6
93.07056	6.2
95.04974	4.1
95.08608	7.3
97.02882	2.0
97.06511	1.8
97.10147	2.0
103.05481	2.2
105.07047	4.3
106.83099	0.8
107.04957	3.9
107.08598	3.8
109.06525	2.1
109.10136	3.6
111.11639	0.8
115.05434	1.5
117.07008	1.7
117.92186	0.8
119.04934	2.1
119.08602	2.4
121.02836	2.1
121.06500	3.9
121.10136	2.0
123.04414	6.2
123.08058	2.0
123.11702	1.9
125.05997	1.2
125.09531	1.1
129.06924	1.3
131.04916	3.4
131.08566	2.9
133.10130	2.1
133.13568	0.7
135.08058	1.6
135.11652	1.2
137.02431	1.0
137.05991	2.9
145.10117	1.3
147.04420	14.2
147.08029	1.1
149.01271	0.9
151.07532	2.3
153.05467	6.8
157.10089	1.4
160.69159	0.8
161.06013	2.0
161.09616	1.0
162.09679	0.9
163.03850	0.9
163.11128	1.4
166.06253	2.2
167.06998	1.2
175.11237	0.9
177.05493	2.0
179.06998	2.4
181.04926	2.5
181.08615	3.9
183.10170	1.8
189.09193	1.0
193.12233	1.2
194.05707	2.7
195.06441	1.0
209.08087	100.0
210.08383	5.2
212.06848	1.4
213.17636	1.0
219.13828	1.2
227.12813	1.5
247.13232	1.0
293.28262	1.0
297.11200	1.7
313.07123	2.1
314.07800	5.9
329.10144	19.8
329.13837	55.3
330.10663	1.7
330.14191	5.3
373.23615	1.3
385.23935	1.2
439.19208	0.8
459.27319	3.1
491.18796	4.2
491.26196	5.0
491.31143	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	491.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
51.67422	0.4
53.00294	0.4
53.03944	0.7
55.01864	1.5
55.05507	3.2
57.03418	1.5
61.02914	1.6
65.03924	0.9
67.05508	4.2
69.03424	4.9
69.07064	1.6
71.04975	1.0
71.40162	0.9
73.02909	0.8
77.03942	0.8
79.05479	4.5
81.03407	2.9
81.07044	4.5
82.12239	0.4
83.01318	0.7
83.04990	0.7
83.08610	2.4
84.65487	0.4
85.02898	7.9
85.06538	0.5
87.04466	0.9
91.03977	0.5
91.05475	6.3
93.07024	2.5
95.04964	2.7
95.08613	3.1
97.02887	3.5
97.06515	0.8
97.10160	3.3
99.04455	0.6
103.05459	6.3
105.07018	2.8
105.89384	0.4
107.04948	3.9
107.08595	2.0
109.02872	1.4
109.06512	2.1
109.10149	1.9
111.08117	0.4
115.05444	1.9
117.07005	1.3
119.04939	3.6
119.08584	1.2
121.02879	1.0
121.06493	2.4
121.10138	1.1
123.04419	25.0
123.08031	2.5
123.11750	0.7
124.04775	1.0
125.09598	2.3
127.03899	1.4
129.03400	0.6
129.05444	0.5
129.07054	0.5
129.47127	0.5
131.04916	6.8
131.08568	1.2
133.06485	1.7
133.10158	0.9
135.04428	1.7
135.08055	1.4
136.05115	0.4
137.02315	0.6
137.05962	6.7
137.09579	0.8
137.13242	0.7
138.06749	0.6
139.03911	0.6
139.07489	0.7
143.04919	3.3
145.04945	1.1
145.06464	1.1
145.10106	1.0
147.04398	74.7
147.11659	0.4
148.04704	2.1
149.05951	2.8
151.03908	0.7
151.07501	3.0
153.09097	2.7
154.06239	0.4
155.08594	0.8
157.10124	0.7
159.11760	0.4
161.05969	10.9
161.07230	0.7
161.09590	1.0
162.06384	0.6
163.03941	0.8
163.07515	0.5
165.09056	2.1
166.09889	0.9
167.07024	1.9
168.07773	2.2
169.08582	1.5
173.06003	0.9
175.07556	0.9
177.05524	0.9
181.08582	19.7
181.10149	1.2
182.09195	1.4
183.10138	11.4
183.11726	0.6
185.05919	0.6
189.05435	1.3
189.09157	0.8
189.11226	1.8
191.06993	0.6
191.08542	1.2
191.14302	0.5
193.08582	0.7
193.12257	1.1
195.08292	0.6
195.10182	1.8
205.08615	0.8
207.10100	0.8
209.09595	1.2
209.11462	0.5
211.07576	1.0
219.08075	2.0
219.10179	0.9
219.13849	2.9
221.09468	0.6
222.06863	0.5
223.07582	1.0
223.11206	1.0
225.09105	1.0
226.09779	1.0
227.06950	0.7
227.10751	0.6
227.12823	1.5
236.08205	1.1
237.09091	3.6
238.09779	1.5
239.06915	1.4
239.10710	0.7
240.07892	0.7
241.12491	0.5
247.07552	0.8
247.13327	1.0
251.10677	1.9
253.08594	1.9
254.09373	3.8
255.10106	1.8
264.07751	0.8
265.08661	2.8
266.09225	1.4
267.06775	0.6
267.09915	0.8
268.11212	0.4
269.11688	2.6
270.12289	0.8
271.09735	1.0
273.11060	0.4
273.15134	0.5
275.16574	0.7
279.10220	0.7
281.08112	1.1
282.08820	2.8
283.09595	2.3
286.11935	0.5
296.10361	0.6
297.11176	7.8
298.11734	2.6
299.09097	4.2
301.14200	0.6
311.12808	1.5
313.10641	0.6
314.11404	2.8
315.11905	0.6
329.13803	100.0
330.14136	9.9
345.09683	0.8
367.22488	1.3
385.23740	2.0
445.25970	0.7
459.27313	3.7
473.24780	0.9
491.25867	1.4
491.30005	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	491.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03937	0.7
55.01859	0.6
55.05258	0.5
55.05508	6.9
57.03233	0.2
57.03441	2.8
57.07067	0.8
65.03929	1.1
67.05500	10.7
69.07065	8.5
70.07681	1.1
71.04962	0.8
73.02905	0.3
79.05487	4.7
80.62086	0.3
81.03414	0.8
81.07053	11.8
83.04976	1.1
83.08616	4.9
85.02876	0.3
85.06534	0.7
86.07127	0.3
91.05476	12.3
93.07034	5.3
95.04968	2.0
95.08598	10.1
95.25838	0.3
97.06515	1.1
97.10165	3.9
99.08062	0.5
105.07022	2.9
107.04956	0.4
107.08584	3.0
109.06487	0.4
109.10146	3.8
111.08076	1.0
111.11722	1.6
113.09657	0.4
117.06995	0.7
119.04938	20.0
119.08587	2.3
121.10129	3.5
123.04429	0.4
123.08071	0.5
123.11745	1.7
125.09628	0.5
127.07565	0.3
129.06992	1.0
131.08592	0.7
133.10126	2.4
135.11676	2.8
137.09631	0.5
137.13254	0.8
139.11172	0.9
145.10133	0.5
147.04399	100.0
147.11679	2.4
148.04703	0.7
149.13254	0.7
151.11200	0.5
151.14847	0.5
153.12738	0.7
157.10153	0.4
161.13184	1.3
165.05467	13.9
165.12746	0.4
168.29289	0.3
171.11620	0.6
175.11269	0.3
175.14793	0.5
179.14316	0.3
193.12257	1.1
207.13763	0.8
211.13235	0.5
217.19479	2.6
221.08105	0.9
235.20583	2.6
253.21602	0.9
267.15912	0.7
303.41318	0.3
309.24301	2.3
327.25259	15.1
344.29910	0.3
465.14609	0.3
473.29037	1.8
491.29962	3.1
493.76291	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03933	5.3
55.01860	5.6
55.05508	26.7
55.57937	3.5
57.03416	7.4
57.98750	3.3
58.06586	14.1
67.05499	50.3
69.07062	9.5
71.04986	7.3
77.73528	3.9
79.05497	49.5
80.72691	3.7
81.03413	38.9
81.07049	51.7
83.04956	10.8
83.08624	23.4
91.05476	81.9
93.07036	38.3
95.04953	23.1
95.08590	15.7
97.10143	15.6
99.49307	3.6
105.07020	45.2
107.04967	5.1
107.08576	17.3
109.06486	5.8
109.10151	9.8
110.92677	3.5
111.08049	4.9
115.05440	4.9
115.26922	3.2
117.07021	22.6
119.04977	4.9
119.08576	21.4
121.10125	5.6
123.08086	4.3
123.11676	24.1
125.09624	13.4
125.33022	3.4
129.06953	18.2
131.08548	18.4
133.06465	5.1
133.10124	15.3
141.07002	5.4
143.08553	15.5
145.10110	12.8
147.11687	19.0
155.08534	5.2
157.10159	6.6
166.90614	3.8
171.11671	10.3
175.11224	4.2
185.13370	4.6
187.13329	13.8
189.11166	4.9
189.12787	4.2
193.12257	12.1
207.13786	15.8
227.12720	11.6
231.13847	7.7
243.15897	13.0
249.14868	18.7
267.16025	26.3
281.17490	22.6
305.17355	10.4
326.57916	3.8
332.26816	4.0
352.05414	3.7
353.24667	4.5
363.23279	9.6
381.24222	10.6
399.25293	16.5
455.27771	7.3
473.29022	100.0
491.29968	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	491.3
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
50.77987	3.0
53.03928	8.9
55.01868	6.4
55.05513	29.9
55.42583	3.1
57.03432	16.1
57.85343	3.2
62.74479	2.8
67.05499	80.0
68.96439	2.9
69.03421	3.6
69.07062	17.8
71.04965	4.8
79.05488	95.5
79.85839	2.7
81.03411	58.9
81.07050	84.6
83.04980	20.3
83.08611	26.8
85.02890	13.5
91.05477	100.0
93.07040	65.8
95.04966	42.7
95.08585	33.0
97.06528	10.4
97.10149	10.9
98.06483	2.9
98.21603	7.4
105.04482	3.7
105.07018	66.9
107.04933	15.3
107.08584	23.3
107.59305	3.2
109.06497	12.2
109.10130	8.5
111.08070	10.5
117.07001	19.9
119.04970	2.8
119.08574	44.3
121.06481	5.5
121.10140	12.1
123.08035	8.4
123.11678	16.4
125.09644	9.0
127.07526	3.3
128.06197	5.4
129.06998	30.0
131.08551	21.4
133.06534	5.0
133.10094	18.6
142.07787	6.1
143.08516	15.6
145.06474	4.6
145.10115	11.9
147.07993	7.0
147.11688	45.3
149.09624	6.7
155.08574	7.2
157.10127	14.7
161.09543	4.1
161.13220	8.5
165.12726	5.9
169.10097	3.4
171.11652	25.6
175.11153	8.7
187.13264	5.5
189.12743	15.7
193.12250	37.5
207.13768	24.2
211.13298	30.6
225.14861	5.6
227.12753	4.7
240.44128	3.3
243.15919	4.9
249.14822	10.9
267.15863	23.8
281.17435	28.1
305.17426	3.7
363.22961	7.3
381.24088	7.2
399.24966	9.0
417.25751	5.1
473.28973	55.7
491.30060	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3001
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
51.31290	2.6
53.03931	9.3
55.01865	5.6
55.05514	27.2
57.03432	9.3
59.04991	3.1
59.62162	2.7
65.03924	4.6
67.05164	4.4
67.05503	56.8
69.03414	4.1
69.07066	14.2
71.04984	5.9
79.05057	5.2
79.05490	79.1
81.03408	51.0
81.07053	67.1
83.04986	14.4
83.08613	25.7
85.02908	8.9
85.06541	3.9
90.61677	2.3
91.05479	100.0
93.07038	58.9
95.04961	35.9
95.08601	32.3
97.06524	3.8
97.10169	17.5
98.20723	5.6
105.04494	4.0
105.07021	51.9
107.04972	14.4
107.08595	18.1
109.06511	11.3
109.10133	8.7
111.08054	7.2
115.05439	4.2
117.07018	22.9
119.04928	2.7
119.08568	36.0
121.06528	3.9
121.10119	5.6
123.08045	6.9
123.11703	15.2
123.70832	2.5
125.09628	7.8
128.06252	3.9
129.07007	29.8
131.08568	16.0
133.06502	3.7
133.10118	18.7
135.08109	3.4
135.11780	3.3
143.08554	10.9
145.06586	3.5
145.10101	17.0
147.04285	3.6
147.08009	6.1
147.11684	36.8
149.09586	5.0
155.08624	4.1
157.10152	13.6
161.09584	3.5
161.13295	7.5
163.11176	3.2
168.79601	2.8
169.10101	3.0
171.11642	24.1
175.11171	9.4
181.10265	2.7
185.13254	4.1
187.13292	9.3
189.11258	6.2
189.12740	9.6
193.12231	35.2
207.13835	16.5
207.15469	3.0
211.13261	21.8
227.12770	9.6
243.15904	10.6
249.14848	10.9
267.15881	27.4
281.17484	21.6
295.54630	2.8
305.17505	8.8
363.23087	4.8
381.24261	7.8
399.25214	10.5
417.26178	4.3
455.27902	4.1
473.28970	59.0
491.30011	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01871	0.8
55.05512	3.0
55.55449	0.3
56.96561	0.3
57.03441	0.6
61.02910	0.3
65.03942	0.4
67.05506	4.6
69.03423	0.6
69.07054	1.1
69.22749	0.2
69.33693	3.1
71.04976	0.8
79.05494	6.2
81.03423	1.6
81.07050	5.2
83.04975	1.1
83.08605	1.7
85.02885	0.6
91.04565	0.3
91.05481	5.4
93.07037	4.8
95.04962	3.0
95.08599	2.2
97.02969	0.3
97.06531	0.8
97.10178	2.2
98.20674	0.6
103.68140	0.2
105.07030	3.6
107.04945	2.6
107.08594	2.6
109.06525	1.3
109.10146	1.0
115.05427	0.3
117.06982	1.5
119.08582	2.2
121.06517	1.5
121.10110	1.4
123.04388	0.4
123.08045	0.4
123.11745	0.5
125.09627	1.1
128.06277	0.4
129.06998	1.6
131.04849	0.4
131.08557	1.5
133.06476	0.8
133.10164	1.5
135.08080	0.7
135.11713	0.4
141.06958	0.3
143.08533	0.6
145.06500	0.7
145.10107	1.2
147.04379	0.4
147.08128	0.5
147.11700	2.5
149.09569	0.7
155.08545	0.4
157.10136	0.7
159.08138	0.4
161.13260	0.5
163.11259	0.6
169.10083	0.4
171.11699	1.1
173.13272	0.4
175.11188	0.5
178.63240	0.3
186.06442	0.3
187.11124	0.3
189.11186	1.2
189.12759	0.6
193.12227	0.9
207.13815	0.9
211.13225	0.5
212.43028	0.3
219.13831	1.3
227.12776	0.8
267.15897	0.6
273.14651	0.3
275.16086	0.4
281.10800	0.4
281.17496	1.1
299.11652	0.4
329.22961	8.7
349.21304	0.3
367.22757	1.1
385.23593	1.6
399.25403	0.5
419.13882	0.4
441.26224	0.4
459.27472	2.6
468.43369	0.3
473.28781	0.5
491.28259	100.0
492.28616	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	491.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.7
54.62424	2.6
55.01868	17.4
55.05511	92.0
57.03430	7.8
57.07053	3.8
59.04992	6.5
65.03951	6.7
67.05503	77.6
69.03420	9.2
69.07065	33.9
71.04989	18.8
71.60352	5.4
79.05489	84.4
79.05956	4.1
81.03405	25.4
81.07053	89.9
82.96329	3.0
83.05005	12.2
83.08617	51.5
85.02917	6.4
85.06550	11.4
87.04463	2.9
91.04955	4.5
91.05477	50.8
93.07037	71.8
95.04971	36.7
95.08604	44.2
97.02866	5.5
97.06528	10.3
97.10168	100.0
99.29256	2.7
103.05453	3.9
105.07027	34.0
107.04949	58.2
107.08594	58.1
109.02885	7.4
109.06508	33.3
109.10141	24.5
111.04415	5.1
111.08092	11.0
115.05473	6.3
117.06998	23.3
119.04926	2.7
119.08593	21.9
121.02853	7.8
121.06506	51.4
121.10133	30.4
123.04433	7.8
123.08083	8.2
123.11734	12.9
125.09624	81.0
125.10540	4.0
129.07028	14.1
131.04932	9.8
131.08574	33.8
133.06485	9.8
133.10147	18.0
135.04402	3.1
135.08057	21.8
135.11739	7.0
137.06003	8.0
137.09634	4.6
137.13297	3.5
139.11208	4.3
141.06976	5.8
143.08562	11.6
143.10660	4.9
145.06474	17.3
145.10126	21.4
147.04384	13.0
147.08034	10.4
147.11682	9.2
149.02322	4.0
149.09621	7.9
149.13257	4.4
153.07108	3.2
153.09091	6.2
155.08554	8.1
157.06480	3.0
157.10129	8.9
159.08099	6.4
159.11664	5.5
161.06007	4.7
161.09621	10.8
163.11169	7.9
167.07111	3.3
167.08418	4.0
167.10655	5.0
169.10110	3.6
171.08061	6.0
171.10181	6.0
171.11638	5.3
173.09654	4.7
173.13234	13.2
175.07489	4.7
175.11180	8.3
177.05521	3.4
181.10135	5.9
183.10257	2.9
183.11731	4.5
185.09554	5.4
185.13335	4.5
187.11165	4.7
189.09323	5.1
189.11206	64.1
189.12738	3.9
191.14281	19.0
193.04950	4.5
193.12289	11.7
197.13292	3.4
199.13371	8.5
205.12344	4.9
215.14368	5.9
219.13782	90.2
223.13226	4.4
225.11162	4.3
227.12675	29.5
233.15372	7.9
237.07573	4.4
247.16930	2.7
249.14967	7.1
255.13812	4.3
257.15454	4.7
263.12799	11.5
271.17023	3.7
273.14920	9.0
275.16534	14.7
293.17435	2.9
293.28366	4.7
329.13837	14.5
349.21484	13.1
357.24152	4.6
367.22723	29.7
371.22220	8.8
381.20578	4.0
385.23685	38.6
389.23022	15.8
399.21503	9.1
403.24667	7.5
407.24344	7.9
414.46832	2.8
417.22311	3.6
441.26334	9.1
445.25629	16.5
447.27390	4.5
459.27444	77.2
463.26901	24.1
473.14651	6.2
473.25522	13.6
491.26306	65.6
491.30270	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01870	6.4
55.05507	32.0
57.03423	4.2
59.05006	1.3
65.03915	2.4
67.05502	26.6
69.03410	6.1
69.07070	9.2
71.04990	3.9
71.60174	1.6
71.60619	1.9
72.08141	1.3
72.36539	1.2
73.61105	1.2
79.05488	27.9
81.03417	11.0
81.07056	24.5
83.04967	4.8
83.08613	15.5
85.02892	8.1
85.06536	2.2
91.05479	21.1
93.07035	23.9
95.04971	16.8
95.08599	12.0
97.02883	4.5
97.06525	2.3
97.10166	33.7
99.00800	1.6
99.04475	1.7
103.05477	7.0
105.03387	1.3
105.07022	13.1
107.04948	24.2
107.06047	1.4
107.08588	14.4
109.02897	2.4
109.06509	11.4
109.10159	9.2
111.08076	3.5
115.05466	3.1
117.07023	8.8
119.04941	4.6
119.08566	10.2
121.02871	8.6
121.06493	13.8
121.10118	7.7
123.04428	38.6
123.08059	4.4
123.11745	2.6
125.05977	1.3
125.09624	23.6
127.03896	1.9
128.06203	1.3
129.06996	5.0
131.04890	10.9
131.08556	10.5
133.06499	3.1
133.10115	5.8
135.04422	4.1
135.08044	9.0
135.11703	2.9
137.05978	9.3
137.09596	2.3
138.06697	1.3
139.03911	4.9
141.06996	2.3
143.04942	3.8
143.08578	3.5
143.10675	1.7
145.06514	6.8
145.10114	6.9
147.04399	73.5
147.08011	3.4
148.04774	1.9
149.05960	3.4
149.09613	2.9
151.03891	2.5
151.07527	4.0
153.09074	6.7
155.08542	2.5
157.06540	1.5
157.10144	3.7
159.08049	4.1
159.11679	1.5
161.05963	14.0
161.09648	5.1
163.03833	1.3
163.11203	3.0
165.09087	3.1
167.07059	5.9
168.07782	2.5
169.08635	2.1
169.10028	1.9
171.08015	2.9
173.05916	2.1
173.09645	2.1
173.11873	1.5
173.13318	4.8
175.03790	1.4
175.07510	1.8
175.11176	3.8
177.05566	2.1
181.08630	22.0
181.10139	2.9
183.10210	11.0
183.11646	2.1
187.07635	2.0
187.11092	2.0
189.05487	1.6
189.09261	2.6
189.11192	21.3
189.12718	2.2
191.14360	5.7
193.12212	9.7
195.10025	1.7
199.13280	1.5
201.12788	3.2
203.10623	2.9
209.07996	2.2
209.09775	1.9
211.11200	1.8
219.10274	2.6
219.13773	29.4
225.11150	2.0
227.10742	2.4
227.12735	17.2
227.14618	1.9
233.94104	1.2
235.13130	1.9
237.09094	3.9
238.09962	1.5
239.06985	1.6
247.13249	11.4
251.10667	1.4
254.09361	3.5
255.10246	1.5
263.12823	6.3
265.08560	2.9
267.10077	1.2
269.11789	3.6
273.07562	4.4
273.14761	2.0
275.16458	2.8
278.73425	1.3
281.08325	2.0
282.08810	2.6
283.10001	1.5
285.07495	1.5
293.17624	1.4
297.11166	10.5
298.11804	2.7
299.09113	3.8
314.07977	2.9
314.11447	2.7
329.10214	10.1
329.13785	100.0
330.14142	8.2
339.22955	2.4
349.21790	2.0
353.21017	2.5
367.22760	4.5
371.22043	3.6
381.20566	3.3
385.23978	6.9
389.23242	3.9
399.21628	3.9
403.25070	1.8
407.24255	1.4
417.22220	1.6
445.25693	7.2
447.27383	2.1
459.27402	13.9
463.26926	5.9
473.24796	6.5
491.25504	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.191
Annotation	5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside
Peak:m/z	Relative Intensity
55.01851	0.2
55.05490	0.1
57.03404	0.2
64.58658	0.1
66.39517	0.1
66.67464	0.1
66.75764	0.1
67.05473	0.6
69.03400	0.4
70.32652	0.1
79.05470	0.6
81.03392	0.3
81.07049	0.7
83.01341	0.7
85.02888	0.6
91.05495	1.3
93.07040	0.7
95.04937	0.7
95.08598	0.7
97.02853	0.3
97.06529	0.1
98.20786	0.3
105.06992	0.6
107.04953	0.9
109.06513	0.3
109.10151	0.2
110.07304	0.2
111.08080	0.1
119.04962	0.9
120.05704	0.2
121.02850	0.2
121.06493	0.8
123.04424	1.7
123.08075	0.8
125.05968	1.4
125.09544	0.2
133.06430	0.2
135.04340	0.3
136.05153	0.3
137.05933	0.9
138.06767	1.1
139.03864	0.2
139.07513	0.5
147.04396	2.2
148.05205	0.3
149.05936	0.3
151.03879	0.6
151.07524	0.9
153.05453	6.0
153.09073	0.5
164.04634	0.4
165.05479	0.9
166.06256	2.9
167.55772	0.1
176.04659	0.5
177.05423	0.8
179.03413	0.5
179.07014	2.4
181.04947	2.1
181.08510	0.8
193.04901	0.3
194.05727	4.0
195.06487	0.8
209.08070	100.0
210.08386	1.4
212.06787	1.6
227.09119	0.6
287.12958	0.2
315.12241	0.2
329.13797	42.2
330.14142	0.9
455.35211	0.1
482.51413	0.2
491.19098	4.6
510.23575	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	491.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59995	0.3
51.02373	0.6
52.82545	0.4
53.03935	1.2
55.01853	1.2
55.91427	0.4
57.03430	1.0
57.94217	0.4
61.02914	1.6
65.03924	0.7
66.56992	0.4
67.05493	1.6
69.03067	0.5
69.03423	4.9
69.07059	0.7
71.04990	1.1
71.09785	0.8
73.02905	0.8
79.05487	1.3
80.93339	0.5
81.03398	1.2
81.07050	3.6
82.07378	0.6
83.01328	1.0
85.02416	0.6
85.02899	8.4
87.04472	0.9
91.03926	0.6
91.05475	4.8
93.07024	1.1
95.04962	1.9
95.08585	0.9
97.02892	3.1
97.06522	0.4
99.04432	1.2
103.05459	7.4
104.25352	0.4
105.03377	0.5
105.07030	1.7
105.70232	0.4
107.04944	0.9
107.08607	0.4
109.02886	1.2
109.06527	1.2
109.10149	0.7
112.03684	0.4
115.05442	1.8
119.04937	3.6
119.08545	0.5
120.38580	0.4
121.06498	1.2
121.65065	0.4
123.04420	23.6
123.08035	2.1
127.03891	1.8
127.44050	0.4
129.03389	0.7
129.05435	1.1
129.07004	0.6
131.04907	7.2
131.05815	0.6
133.06496	1.2
135.04413	1.5
135.08064	1.0
136.05199	0.6
137.05968	6.8
137.09598	0.9
138.06766	1.0
139.07504	0.6
143.04919	3.4
145.04926	0.5
147.04398	76.8
148.04802	1.1
149.04854	0.6
149.05954	3.0
151.07544	3.7
152.08331	0.6
153.09103	2.2
154.06258	0.8
161.05978	10.4
165.09099	2.2
166.06122	0.5
166.07693	0.4
166.09850	0.7
167.07025	1.0
168.07797	2.8
169.08560	2.2
173.05974	0.7
175.07526	0.7
177.05508	0.6
181.08588	20.1
182.09317	0.8
183.10150	11.9
189.05441	1.0
190.07805	0.6
191.07001	0.5
191.08554	1.2
193.08578	0.5
193.10207	0.6
195.10161	1.3
197.06035	0.5
200.90314	0.5
203.07066	0.9
205.08560	0.7
207.08278	0.5
207.10124	0.7
207.49507	0.5
208.08911	0.6
209.09608	1.4
211.07526	1.0
219.08035	2.4
219.10081	0.9
222.06752	0.4
223.07474	0.4
223.11098	1.0
224.08452	0.6
225.09122	1.1
226.09892	0.8
227.07010	0.8
227.10660	0.7
236.08342	1.3
237.09131	4.1
238.09851	1.5
239.07043	1.4
239.10764	0.9
241.08499	0.5
241.12273	0.6
244.82323	0.4
247.07617	0.6
249.09160	0.6
251.10744	2.0
253.08574	1.3
254.09399	4.4
255.10207	1.9
264.07898	1.2
265.08591	3.6
266.09232	1.2
267.06512	0.7
267.09982	0.8
268.10837	0.8
269.11792	3.6
270.12234	0.9
271.09534	0.7
279.10190	1.3
281.08078	1.9
282.08899	2.7
283.09677	1.9
286.11838	0.7
297.11209	9.0
298.11966	2.0
299.09103	3.7
301.14194	1.0
311.12714	1.7
313.10754	1.0
314.11401	3.1
329.13797	100.0
330.14117	2.6
379.80908	0.4
400.34991	0.5
471.81708	0.5
491.30313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03944	1.3
55.01862	1.0
55.05525	2.6
57.03429	1.3
61.02911	1.4
65.03943	0.8
67.05489	3.8
67.76753	0.5
69.03426	4.9
69.07049	0.6
69.42926	4.8
71.04977	1.2
72.83708	0.6
73.02908	0.9
79.05128	0.4
79.05489	3.6
81.03403	2.6
81.07062	3.8
83.01273	0.7
83.04936	0.6
83.08614	1.6
85.02901	7.9
87.04493	0.6
91.03950	0.7
91.05467	5.6
93.07040	3.3
95.04965	3.3
95.08607	2.2
97.02872	3.4
97.06551	0.6
97.10157	1.9
99.04429	1.0
103.05455	6.0
105.07029	2.9
107.04968	3.3
107.05589	0.5
107.08602	1.3
109.02874	1.3
109.06516	1.7
109.10111	1.2
115.05450	2.2
117.07066	0.7
119.04951	3.9
119.08582	1.0
121.06519	3.1
121.10161	1.3
123.04424	25.2
123.08043	2.1
125.09623	1.5
127.03888	2.4
129.07040	0.9
131.04919	6.6
131.08574	1.3
133.06494	1.6
133.10176	0.7
135.04424	1.8
135.08055	1.9
137.05962	6.8
137.09616	0.8
138.06757	1.5
143.04889	2.7
145.04958	0.6
145.06511	0.9
147.04401	71.0
148.05099	0.9
149.05963	2.1
151.07524	3.7
153.05489	0.6
153.09076	2.6
154.06252	0.6
157.06541	0.7
159.08043	0.6
161.05965	12.7
163.03917	0.6
163.07512	0.7
165.09093	1.9
166.06337	0.7
166.09853	0.7
167.07043	1.5
167.10756	0.6
168.07803	2.4
169.08606	1.8
175.07596	0.7
177.05490	0.9
181.08585	18.9
181.10167	1.2
182.09393	1.0
183.10165	11.5
189.05511	1.0
189.11221	1.0
191.06967	1.0
191.08568	1.2
193.08644	0.7
195.10152	1.4
201.12920	0.6
203.07109	0.6
208.08820	1.1
209.09613	1.4
211.07533	0.8
219.08041	1.5
219.10135	0.9
219.13754	1.4
221.09576	0.6
223.11194	1.1
225.09073	1.2
226.09920	0.7
227.07002	0.8
227.12732	1.2
236.08205	1.3
237.09093	4.1
238.09848	1.0
239.07068	1.8
239.10590	0.6
241.08707	0.9
251.10680	1.8
253.08517	1.1
254.09421	4.2
255.10167	1.4
265.08661	3.4
266.09366	1.2
267.06549	0.9
267.10175	1.0
268.11127	1.0
269.11630	2.5
270.12369	0.7
271.09586	0.9
273.14685	0.6
275.16327	0.6
279.10165	1.2
280.10712	0.5
281.08029	1.7
282.08847	3.2
283.09534	2.4
286.11987	1.0
296.10532	0.6
297.11191	6.8
298.11981	1.9
299.09256	5.1
301.14252	1.3
311.12701	1.7
313.10550	1.2
314.11575	2.8
329.13809	100.0
330.14203	2.2
349.21619	0.7
367.22656	1.2
385.23581	1.3
459.27335	2.9
491.30875	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	491.1913
Annotation	5-Hydroxy-7,4'-dimethoxy-6,8-di-C-prenylflavanone 5-O-galactoside
Peak:m/z	Relative Intensity
51.02378	0.3
53.03938	0.6
55.01872	0.4
57.03437	0.3
61.02934	0.4
61.85930	0.2
65.03936	0.4
66.32394	0.2
67.05498	1.1
69.03429	1.5
69.07528	0.2
69.50440	2.3
71.04977	0.3
73.02930	0.3
77.03920	0.5
79.05482	0.8
81.03393	0.6
81.07056	0.6
83.01360	0.5
84.72592	0.3
85.02908	2.7
91.05477	4.2
93.07034	0.4
95.04954	1.8
95.08583	0.4
97.02902	1.3
97.06503	0.5
99.04451	0.4
103.05469	6.0
105.03381	0.7
105.07037	1.3
107.04954	1.3
107.08575	0.6
109.02870	0.4
109.06506	1.2
109.10117	0.4
111.04385	0.3
115.05441	2.0
119.04939	3.6
121.02868	1.0
121.06481	1.1
123.04426	25.4
123.08067	1.8
123.27875	0.3
124.04801	0.3
125.06003	0.3
125.09676	0.3
127.03893	0.6
129.03374	0.4
129.05502	0.3
129.06955	0.5
131.04929	7.7
133.06465	0.8
133.10170	0.5
135.04366	1.4
135.08026	1.2
137.02319	0.5
137.05974	5.9
137.09605	0.8
138.06752	1.0
139.07602	0.6
143.04907	3.6
145.04959	0.4
145.06479	0.5
147.04405	69.8
148.04930	1.2
149.05974	2.3
150.06757	0.3
151.07538	3.4
152.08400	0.3
153.05501	0.4
153.09068	1.9
154.06287	0.4
159.07962	0.3
161.04643	0.5
161.05984	9.4
163.03856	0.6
163.07585	0.3
165.06976	0.5
165.09090	2.1
166.06242	0.6
166.07675	0.3
166.09882	0.9
167.07053	1.4
168.07825	2.2
169.08614	1.7
173.06036	0.5
173.54468	0.3
175.07544	0.9
177.05583	0.3
178.06192	0.4
180.09221	0.4
181.08585	20.1
182.09410	1.3
183.10146	11.6
186.06737	0.3
189.05476	0.8
190.07762	0.5
191.07021	0.5
191.08549	1.6
193.08551	0.9
193.10161	0.5
194.07355	0.4
195.08311	0.3
195.10123	1.3
195.11707	0.3
197.05977	0.3
199.07632	0.3
200.08374	0.3
203.07025	0.8
204.07755	0.3
205.08604	0.9
207.10037	0.4
208.08792	0.6
209.09628	1.3
211.07498	1.3
218.07367	0.3
219.08040	1.8
219.10162	1.7
220.08698	0.4
222.06711	0.3
223.07603	0.8
223.11171	1.0
224.08342	0.4
225.09067	0.9
226.09869	0.8
227.07027	0.8
227.10652	0.5
235.07573	0.5
236.08354	0.7
237.09134	3.4
238.09810	1.6
239.07016	1.1
239.10576	0.6
240.07657	0.5
241.08495	0.6
247.07582	0.5
249.09090	0.5
250.09836	0.3
251.10738	1.9
252.11415	0.4
253.08569	1.3
254.09380	3.7
255.10149	1.8
264.07901	0.9
265.08603	3.8
266.09335	1.4
267.06549	0.6
267.10074	0.8
268.10992	0.5
269.08762	0.4
269.11658	3.6
270.12473	0.9
271.09637	0.8
279.10062	1.2
280.10837	0.3
281.08255	1.4
281.11319	0.3
282.08856	3.0
283.09628	2.3
283.12878	0.4
286.12039	0.5
296.10385	0.5
297.07706	0.4
297.11197	7.3
298.08804	0.3
298.12000	1.9
299.09143	3.9
301.14349	0.8
311.12863	1.3
313.10681	1.1
314.11426	2.8
329.13812	100.0
330.14117	3.3
351.63861	0.4
491.18918	0.6
491.25949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39658	0.6
54.94809	0.7
56.05032	4.7
60.04518	1.1
70.93179	1.9
79.01852	0.9
83.06100	100.0
84.04516	0.7
84.09472	0.8
97.02880	0.8
101.07114	1.2
107.04951	1.0
112.55321	0.7
138.08203	0.9
139.03912	2.8
143.03386	3.2
147.04362	1.8
149.05971	1.0
153.01823	52.6
185.04283	1.1
187.66542	0.8
194.04573	1.1
194.18546	0.8
211.00908	5.8
229.01965	1.7
235.36841	0.7
243.35248	0.7
247.06009	8.2
259.06094	2.1
267.08554	0.9
285.09497	2.0
287.07373	1.5
301.12573	1.3
311.03983	1.1
319.08194	12.7
329.04831	1.1
329.08435	6.4
341.05240	1.2
342.74127	0.7
347.09467	7.4
359.05905	3.6
363.07193	2.7
383.16907	2.1
385.14725	1.9
387.05505	4.2
391.04633	0.9
409.07657	1.3
423.07562	1.4
429.17331	10.0
445.16888	8.7
449.05750	4.5
473.16589	4.2
491.17368	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1546
Annotation	5-Methoxyafrormosin 7-O-glucoside
Peak:m/z	Relative Intensity
51.26698	0.2
53.03936	0.5
55.01857	0.8
55.05499	2.2
57.03416	1.0
57.66263	0.2
61.02914	0.8
65.03905	0.4
67.05502	3.2
69.03102	0.3
69.03423	2.4
69.07053	1.3
71.04984	1.7
71.60445	0.5
78.35796	0.2
79.05483	3.6
81.03414	1.9
81.07050	2.9
83.04958	0.4
83.08601	1.0
85.02897	4.6
85.06496	0.3
87.04473	0.4
91.03960	0.3
91.05465	3.1
93.07034	4.0
95.04960	2.2
95.08603	2.1
97.02880	1.7
97.06503	0.3
97.10176	1.4
99.04450	0.5
103.05469	0.9
105.07015	2.0
107.04935	4.0
107.08575	1.7
109.02876	0.4
109.06523	1.4
109.10126	1.3
111.04377	0.3
115.05460	0.5
117.07011	1.2
119.04873	0.3
119.08557	1.2
121.02834	2.5
121.06493	2.4
121.10107	1.4
123.04420	3.2
123.08022	0.7
125.09628	1.2
127.03902	0.6
128.06210	0.4
129.06998	1.3
131.04971	1.2
131.08556	1.5
133.06473	0.6
133.10123	0.9
135.04411	0.7
135.08063	0.6
135.11697	0.3
137.05977	0.9
137.09575	0.4
139.14526	0.2
141.06973	0.4
143.04924	0.3
143.08551	0.6
145.04958	0.5
145.06499	0.8
145.10126	1.2
147.04407	8.2
147.08087	0.8
147.11641	0.3
149.05946	0.5
149.09630	0.7
151.03922	0.6
151.07570	0.7
153.01793	0.4
153.09148	0.3
155.08513	0.7
159.07996	0.5
161.05966	1.4
161.09573	0.5
163.03868	0.4
163.07520	0.3
163.11127	0.6
165.09129	0.4
167.10728	0.3
168.07857	0.3
171.08067	0.2
173.09702	0.3
173.13274	0.6
175.07437	0.4
175.11237	0.2
177.12755	0.4
181.08597	1.5
183.10133	1.6
189.09175	0.4
189.11177	0.8
191.14287	0.5
193.12273	0.6
199.11264	0.3
199.13254	0.6
201.12685	0.3
203.03290	0.3
209.09618	0.3
210.49991	0.3
211.07703	0.3
217.12119	0.3
219.13812	1.0
225.05417	0.3
227.12701	0.6
233.15302	0.5
247.13200	0.5
249.14737	0.6
265.08365	0.4
267.06509	0.5
268.07199	0.8
271.06223	0.6
273.14819	0.7
275.16370	0.5
283.06097	2.0
284.06662	1.2
285.07565	12.7
288.50818	0.3
295.05963	0.5
296.06757	11.2
297.07693	0.3
297.11288	0.7
299.05569	3.3
299.08801	0.5
313.04117	0.2
313.07025	15.3
314.07809	30.4
315.08231	0.5
316.05740	2.0
329.10181	100.0
329.13754	10.0
330.10532	1.1
339.23270	0.5
349.21661	0.7
367.22754	2.1
381.20953	0.3
385.23560	1.8
399.21567	0.4
403.24628	0.8
441.26575	0.3
459.27386	4.6
473.24774	0.4
491.30734	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	490.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.3
56.05032	2.4
57.03434	0.5
57.07063	0.2
58.06597	100.0
63.30598	0.2
65.03949	0.2
67.05501	4.4
69.07071	1.4
70.65234	0.6
70.65563	0.2
76.07642	5.1
79.05482	2.6
81.07054	3.6
81.07531	0.4
83.04947	0.2
83.08623	0.5
91.05476	1.5
93.07024	2.8
95.08601	2.7
105.07014	1.2
107.08595	1.2
109.09493	0.3
109.10140	1.2
118.01856	0.2
119.08624	0.9
121.10149	1.1
131.08589	0.4
133.10129	1.0
135.11731	0.6
143.94119	0.2
145.10187	0.4
147.11746	0.3
156.04251	0.6
175.14954	0.3
187.36386	0.2
230.07988	0.7
317.24664	0.2
318.27890	0.4
335.25790	17.6
371.52502	0.2
410.98624	0.3
472.28482	0.7
490.28909	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1182
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
50.63944	0.1
53.03701	0.1
53.03943	2.4
55.01865	0.6
57.03429	0.7
59.64602	0.1
60.14897	0.1
61.02919	0.6
67.01839	0.1
68.99786	0.6
69.03425	8.3
69.79611	0.1
70.85647	0.1
71.01346	0.3
71.04992	0.8
71.59497	0.3
73.02908	1.0
79.05464	0.2
81.03413	11.8
85.02898	4.8
95.80778	0.1
97.02884	4.7
99.04445	2.1
103.03979	0.2
103.05449	0.2
105.03394	0.4
105.07012	0.2
107.04943	0.4
109.02873	8.0
111.00771	0.8
121.02867	2.6
123.04411	0.3
127.03905	6.5
129.06970	0.1
131.04942	0.2
133.02789	0.3
133.04941	0.2
135.04379	0.1
137.02362	0.9
137.05969	0.5
137.70168	0.1
139.03888	0.2
141.06906	0.1
145.04961	1.0
145.06438	0.3
147.04366	1.0
151.07501	0.2
153.01816	4.2
157.06456	0.5
161.05940	0.3
165.01833	1.9
171.04390	0.3
181.08688	0.1
183.02858	1.0
185.05980	0.6
187.06004	5.8
197.05896	0.1
213.05434	1.6
217.04999	0.2
229.05022	0.2
231.06519	0.8
239.27260	0.1
241.04936	0.8
257.04477	0.1
258.05270	1.1
259.05945	0.5
269.04477	0.2
286.04529	0.2
287.05475	100.0
288.05820	2.3
303.04935	0.4
314.07773	0.4
329.06497	0.3
329.10178	0.8
329.13757	0.4
405.59067	0.1
475.11761	0.2
491.30179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
54.50093	0.5
55.05268	0.5
55.05508	7.3
56.05022	0.5
57.03185	0.5
57.03436	7.2
57.07057	0.6
58.06598	22.4
62.80872	0.5
65.03931	1.5
67.05500	28.4
68.05851	0.7
69.06723	0.5
69.07066	7.3
69.29202	5.1
79.05488	14.8
80.05816	0.8
81.03407	0.7
81.07050	24.4
83.04977	0.9
83.08602	2.1
91.05472	7.3
93.07037	15.3
94.07330	0.7
95.04953	2.3
95.08595	19.5
97.06501	0.8
97.10156	0.7
98.20762	0.9
105.07022	4.4
107.08587	7.2
109.06544	1.0
109.10141	6.5
111.08041	0.7
117.06994	1.5
119.08586	2.5
121.10137	5.6
123.08051	0.5
123.11705	1.1
129.06969	0.6
131.08556	1.5
133.10124	2.0
135.11682	3.1
145.10094	1.6
147.11687	1.2
149.13258	1.1
156.04222	4.2
159.11725	1.1
161.13275	0.8
173.13274	0.9
230.07816	0.6
261.22034	0.5
335.25766	100.0
336.26297	2.1
490.30963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29796	0.2
52.64000	0.2
53.03932	0.5
54.67379	0.2
55.03519	0.2
57.03407	0.2
57.20652	0.2
65.03941	1.2
69.03416	0.6
70.06583	0.6
70.88932	0.6
71.04983	0.3
72.08154	0.2
81.02975	0.3
81.03414	3.3
85.02908	1.5
88.53941	0.2
91.05473	10.2
93.03384	0.3
95.04968	0.9
97.02879	0.9
99.04423	0.5
107.04955	2.1
109.02876	1.3
119.04934	23.8
120.04453	2.0
123.04425	3.6
125.04728	0.3
127.03899	0.5
133.06454	0.3
136.06491	0.4
136.07562	8.1
137.05966	0.3
147.04399	100.0
148.04768	0.9
148.07544	0.2
149.45190	0.2
152.32613	0.2
153.01799	1.5
165.05467	8.4
166.04994	3.8
178.08685	0.4
182.08113	8.5
224.09213	0.8
272.09174	0.5
280.84265	0.3
290.10193	0.4
291.08597	4.4
309.09735	2.1
326.12244	0.4
328.08398	0.2
328.12253	0.2
332.71924	0.2
378.20450	0.2
472.15262	0.2
490.13654	2.0
511.84161	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03947	1.8
55.01849	1.6
55.05507	18.8
55.05754	2.1
57.03428	4.6
57.07074	3.0
59.05001	2.2
65.03925	2.5
67.05503	84.2
69.07066	15.8
71.04984	3.2
71.51439	2.0
71.60933	1.2
79.05491	33.5
81.03417	1.7
81.07055	39.4
83.04966	3.1
83.08617	10.6
85.06580	2.5
91.05476	26.5
93.07043	36.7
95.04986	6.1
95.08038	2.5
95.08604	27.9
97.06535	2.6
97.10160	5.4
102.73610	1.2
105.07026	25.1
107.08588	19.1
109.10149	48.1
111.08090	3.8
117.07004	9.9
119.08583	28.0
121.06477	1.3
121.10144	14.9
122.69855	1.4
123.08077	1.5
123.11714	3.4
125.09657	1.7
129.07005	4.5
131.08563	15.7
133.06454	1.5
133.10129	18.1
135.08099	1.3
135.11659	8.3
137.09639	3.8
143.08548	6.1
145.10109	15.3
147.11659	11.9
149.13284	4.2
155.08580	3.6
155.10677	3.1
157.10167	5.0
159.11682	10.2
161.13307	7.2
163.14844	1.7
167.33417	1.2
169.10069	1.9
171.11703	4.8
173.11758	11.9
173.13295	7.5
175.14822	3.5
183.11682	2.3
185.13269	3.7
187.14856	4.5
195.11923	1.2
197.13283	3.5
199.14806	1.7
201.16238	1.4
211.14819	1.6
213.14735	1.9
225.16566	1.1
231.17487	1.3
231.21210	1.3
241.19650	2.0
245.19035	1.6
259.20740	1.8
261.22159	4.8
271.20593	1.5
277.21814	1.4
285.22369	1.6
297.22296	1.5
299.23816	1.8
374.75668	1.1
377.26755	2.6
379.30048	6.8
397.31033	12.5
415.32080	4.0
467.83243	1.3
471.34781	11.5
489.35803	100.0
490.35867	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	490.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20990	0.8
54.87578	1.1
55.01844	1.6
56.05029	2.0
60.04517	1.4
65.24023	0.9
68.05030	1.2
68.99783	1.0
69.03416	2.7
70.06585	1.7
71.04992	4.4
71.60487	1.6
79.05501	0.9
81.03405	2.0
81.07048	3.9
82.06606	0.9
83.04971	1.5
83.08669	1.0
84.04501	13.7
85.02906	6.3
88.64951	0.9
93.07024	1.7
95.08606	2.8
96.04485	15.9
97.02906	4.6
97.34677	0.9
98.06049	8.7
99.04449	2.1
107.08632	1.9
109.02865	6.9
109.10161	1.9
110.06073	1.2
114.05520	1.5
116.07043	1.1
119.04952	1.0
120.08086	1.1
121.02858	3.9
121.10149	1.3
123.04472	0.9
123.11708	1.5
126.05500	25.0
127.03902	2.5
129.05481	1.3
133.02792	1.2
135.11696	1.0
137.02364	3.4
137.05949	2.0
138.05495	100.0
144.05505	1.7
144.06555	20.2
144.21225	0.8
149.13255	1.3
153.01843	4.1
165.01961	1.2
168.06555	25.4
174.36320	1.1
186.07599	22.0
188.09183	3.8
204.08656	22.3
250.17352	1.0
266.58591	1.2
271.06076	1.3
273.03842	1.6
285.04135	1.4
286.04807	1.9
287.05499	21.6
299.05652	1.9
301.03311	0.9
302.06656	2.3
303.04996	10.6
309.03937	1.4
311.05557	3.8
326.06653	2.4
327.04953	8.8
328.08286	2.2
344.07648	27.9
346.06027	1.0
472.33240	1.1
490.23254	3.7
513.97162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3573
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03942	2.7
55.01868	1.5
55.05508	18.2
57.03426	4.8
57.07066	2.0
59.04999	3.3
62.59812	0.9
65.03924	1.9
65.63700	0.9
67.05500	73.6
68.05820	0.9
69.07062	12.4
70.02851	1.0
71.04990	2.5
78.86327	0.9
79.05489	30.6
81.03408	1.1
81.07053	40.9
83.04978	2.8
83.08625	9.4
85.06548	2.5
91.05475	25.0
91.06004	1.6
93.07039	34.5
93.07620	1.8
95.04977	4.5
95.08603	25.4
97.06547	3.0
97.10172	3.8
98.20788	2.6
105.07025	21.2
107.08592	18.9
109.06490	1.7
109.10147	42.5
111.08104	2.9
115.05505	1.3
117.06998	9.3
118.20934	1.0
119.08571	24.4
121.10133	14.5
123.08109	2.0
123.11724	2.7
129.07013	3.9
131.08562	15.4
133.10112	15.2
135.11685	9.8
136.46413	0.9
137.09639	3.3
139.11186	2.6
141.07031	1.0
143.08578	3.9
145.10112	16.0
147.11681	14.0
149.13242	4.5
155.08554	2.3
155.10660	1.6
157.10155	4.9
159.11699	11.6
161.13237	7.8
163.11148	1.0
163.14894	1.8
169.10095	2.0
171.11760	5.7
173.11755	11.2
173.13301	8.9
175.14862	2.6
183.11758	2.7
185.11850	1.0
185.13306	4.2
187.14818	4.6
188.54443	0.9
189.16409	1.0
195.11665	1.5
197.13329	2.7
199.14905	2.6
201.16502	1.3
211.14862	1.7
211.68358	0.8
213.14719	1.4
213.16531	2.0
225.16391	1.7
227.17831	1.1
229.47220	1.0
241.19565	1.8
243.21091	1.0
259.20633	2.6
261.22165	3.8
271.20554	1.4
273.22025	1.2
285.22223	1.7
299.23840	1.7
377.27103	1.7
379.29871	8.5
391.28424	2.0
397.31030	10.6
415.32150	4.0
471.34738	11.0
489.35779	100.0
490.36182	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	489.3572
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03947	2.6
55.01875	1.4
55.05505	15.2
57.03421	5.1
57.07076	2.0
59.04986	1.8
64.00098	0.8
65.03938	2.4
67.05500	57.7
69.03430	1.2
69.07064	12.9
71.04975	1.7
72.08150	6.0
73.02948	0.8
77.03907	1.0
79.05489	23.6
81.06575	1.9
81.07054	35.6
82.00758	0.9
83.04987	1.5
83.08607	7.3
85.02902	1.4
85.06542	2.2
91.05470	20.7
93.07038	29.7
95.04965	4.4
95.08601	25.4
97.06528	3.0
97.10167	4.1
99.08115	1.2
103.05483	0.9
105.04520	0.8
105.07022	24.1
107.08582	17.3
109.06549	1.9
109.10146	29.1
111.08089	2.4
117.06986	9.7
118.04043	0.9
119.08572	24.3
121.10133	14.4
123.08108	1.7
123.11723	2.5
125.09622	1.7
129.06961	4.8
130.95045	0.8
131.08562	14.6
133.10124	19.1
133.11076	1.5
135.08035	1.2
135.11671	7.9
137.09613	1.6
139.11195	2.8
141.06998	2.1
143.08560	7.3
145.10106	16.9
147.11676	13.5
149.13286	3.0
155.08577	2.2
155.10582	1.3
157.10109	6.7
159.11687	12.9
161.13249	7.3
163.14919	1.1
169.10144	2.7
171.11659	5.1
173.11749	6.3
173.13280	8.7
175.14842	2.4
183.11700	4.3
185.11891	1.1
185.13211	5.5
187.14790	4.4
197.13312	3.3
199.14847	4.0
201.16321	1.8
211.14857	3.9
213.14868	2.6
213.16563	1.5
215.95012	0.9
223.14801	1.3
225.16428	1.8
229.14256	1.0
239.17932	1.1
241.19525	1.6
245.50168	0.9
259.20587	2.4
261.22226	3.6
271.20456	1.5
273.22025	1.6
285.22067	3.3
287.23721	1.0
289.21545	1.2
291.23352	1.0
297.22058	1.6
299.23816	2.5
312.21555	0.9
315.23047	0.9
317.24750	1.1
361.28793	1.0
377.26752	3.1
379.30042	10.8
391.28424	2.1
397.31058	15.5
415.32147	5.5
433.32974	2.3
435.32367	1.0
453.33755	1.2
459.20059	1.0
471.34738	13.9
489.35776	100.0
490.35944	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	489.3572
Annotation	Cimigenol
Peak:m/z	Relative Intensity
50.33789	1.4
53.03947	4.0
55.01868	2.3
55.05507	20.2
56.69986	1.3
57.03434	5.7
57.07090	1.9
59.04990	1.5
60.05219	1.2
60.76134	1.3
64.84129	1.5
65.03928	4.3
66.17969	1.3
67.05502	91.0
69.03433	1.4
69.07065	16.5
71.04987	4.3
71.60000	1.6
71.60690	2.1
79.05052	3.2
79.05489	35.5
81.07055	42.4
81.07517	2.7
83.04977	2.8
83.08608	12.2
85.06555	2.1
91.05478	29.1
91.06008	2.4
93.07038	36.7
95.04983	5.4
95.08038	3.1
95.08600	30.6
95.09156	2.4
97.06511	3.6
97.10159	3.7
102.05997	1.4
105.07030	22.5
107.08593	21.3
109.06532	2.5
109.10153	50.6
109.10909	2.4
111.08094	2.0
117.07035	7.8
119.08569	26.8
121.10126	16.3
123.08086	2.2
125.09589	2.1
129.07011	4.0
131.08571	14.7
133.10127	20.2
135.11670	14.8
137.09636	2.9
139.11221	1.8
143.08572	5.7
145.10121	18.0
147.11668	11.9
149.13293	5.1
151.11183	1.7
155.10695	1.7
157.10136	7.0
159.11636	10.6
161.13275	5.4
169.10190	4.0
171.11713	5.5
173.11752	14.2
173.13280	9.4
175.14879	3.6
183.11649	2.6
185.13309	5.5
187.14862	4.9
197.13269	2.3
199.14836	3.2
201.16466	2.0
211.14911	2.0
223.51947	1.6
243.21219	1.9
261.22260	3.3
265.34067	1.6
271.20590	1.7
285.22159	2.7
296.69275	1.5
305.22525	1.7
311.76312	1.4
317.24951	2.5
369.31195	1.8
377.26730	2.8
379.29861	9.1
397.31079	13.1
398.31387	1.6
415.32123	3.2
453.33655	2.3
471.34885	9.9
489.35806	100.0
490.36255	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	489.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
54.39844	1.8
55.05508	21.5
56.00289	1.4
57.03429	5.7
57.07084	2.9
59.05006	2.3
59.96174	1.3
65.03940	2.2
67.05502	79.8
68.05822	2.6
69.07066	16.3
71.04989	1.8
75.92477	1.6
79.05488	43.2
80.05836	3.2
81.03439	1.7
81.07053	43.6
81.07521	2.8
82.07379	1.7
83.04977	4.6
83.08615	8.2
85.06541	2.9
91.04980	1.2
91.05479	33.3
92.05823	4.1
93.07041	44.2
94.07373	3.4
95.04990	7.1
95.08601	33.2
96.08942	1.6
97.06523	3.5
97.10182	3.5
101.86054	1.6
105.07025	28.6
106.07397	2.0
107.04993	1.8
107.08588	20.9
108.08865	1.9
109.06514	3.3
109.10153	37.0
109.10918	2.0
111.08121	1.8
111.94856	1.6
117.07026	10.3
119.08575	30.5
119.09344	2.4
121.10144	16.7
123.11716	1.9
125.09680	2.1
129.07071	3.7
131.08562	18.8
133.10117	17.9
133.10922	1.7
135.11682	10.5
137.09653	2.6
139.11217	2.2
143.08597	6.5
145.10100	17.6
147.11694	17.9
147.92769	2.2
148.12039	2.6
149.13327	3.5
155.08572	3.7
155.10747	3.1
157.10184	4.4
159.11717	10.1
161.13225	7.7
163.11250	1.9
163.14815	2.2
169.10222	1.9
171.11633	8.0
172.12039	2.3
173.11789	10.3
173.13318	10.5
175.14893	3.1
183.11591	2.6
185.13318	5.7
187.14915	6.2
189.12759	3.2
199.14868	4.3
207.13763	2.2
208.14268	2.3
211.14964	3.1
241.19701	1.9
259.20587	3.0
308.99521	1.8
317.24780	2.5
359.25613	2.3
377.27155	3.9
379.29871	10.7
397.31100	12.3
415.32303	3.4
433.33286	1.9
449.19650	1.9
471.34891	12.0
489.35968	100.0
490.36139	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01866	1.2
55.05496	3.2
56.96564	1.1
57.07048	2.5
61.02929	0.7
67.05496	5.5
69.03409	2.5
69.07064	10.8
70.06582	2.3
71.04979	2.7
71.60238	1.0
79.01836	1.2
79.05484	4.0
81.03387	1.8
81.07056	19.1
82.99228	0.7
83.04973	1.0
83.08599	4.2
85.02893	4.7
85.06532	2.0
89.77860	0.7
91.05477	2.9
93.07044	7.0
95.04913	1.5
95.08602	16.6
97.02885	2.3
97.06508	2.6
97.10155	2.1
98.97582	1.3
99.08106	1.4
105.07025	4.8
107.08575	6.9
109.02869	2.7
109.10148	9.8
111.08073	3.6
111.11691	1.5
115.05455	0.7
116.98598	0.8
119.05071	0.7
119.08577	3.3
121.02811	0.9
121.10101	3.9
123.04401	0.8
123.11703	7.9
123.56637	0.7
125.02309	0.9
131.04919	2.6
133.10149	1.4
135.11662	5.2
137.05949	4.5
137.09586	1.2
137.13252	4.7
143.03413	2.0
145.10097	1.1
145.86536	0.6
147.04398	3.2
147.11673	1.9
149.13234	3.5
151.07404	0.8
151.14833	0.7
153.01819	30.2
153.12721	2.0
161.13277	1.2
163.14862	2.8
165.12756	2.3
167.07054	1.7
167.14355	0.7
177.05492	1.4
177.16418	1.0
181.05075	0.9
187.07422	0.9
193.15857	2.0
204.47322	0.7
213.50079	0.7
217.19633	0.8
220.24147	0.8
233.04370	1.3
242.01994	0.8
251.02257	1.0
255.03931	0.8
264.14822	0.8
269.03204	0.8
273.25827	2.0
279.26834	1.8
281.15167	1.3
282.16028	1.6
287.04349	1.1
291.26822	2.6
301.07254	1.8
309.27893	2.5
313.14270	1.4
357.18808	3.0
375.18445	0.9
389.05295	1.2
489.23053	100.0
490.23526	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	489.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47488	11.0
55.05506	31.3
57.07069	12.1
67.05510	57.6
69.07050	52.8
71.60113	17.6
75.56257	10.7
79.05487	42.2
81.03414	17.1
81.07050	100.0
83.08611	31.3
85.02873	36.6
91.05476	44.8
93.07038	57.6
94.36671	11.3
95.04942	21.4
95.08598	93.6
96.94268	11.3
97.02898	18.9
105.07012	21.3
107.04964	24.5
107.08585	50.7
109.10130	63.6
111.11695	11.3
119.04948	16.5
119.08561	20.1
121.06470	13.4
121.10154	46.2
123.11721	23.0
131.04958	12.0
131.08612	15.2
131.59904	10.2
135.11693	30.3
137.05989	33.7
137.13249	15.1
145.06548	14.9
145.10042	11.7
147.04428	42.7
147.11719	12.9
149.13257	26.5
150.14722	12.1
163.14806	17.1
167.07037	43.1
175.48669	14.8
181.04892	25.3
187.07556	11.9
209.91570	12.8
211.10910	12.2
229.52780	12.3
327.12277	20.6
405.65976	11.3
471.27026	13.0
489.11429	21.2
489.17728	29.7
489.29712	16.4
500.23419	12.7
503.61365	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	489.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.01866	1.2
55.05496	3.2
56.96564	1.1
57.07048	2.5
61.02929	0.7
67.05496	5.5
69.03409	2.5
69.07064	10.8
70.06582	2.3
71.04979	2.7
71.60238	1.0
79.01836	1.2
79.05484	4.0
81.03387	1.8
81.07056	19.1
82.99228	0.7
83.04973	1.0
83.08599	4.2
85.02893	4.7
85.06532	2.0
89.77860	0.7
91.05477	2.9
93.07044	7.0
95.04913	1.5
95.08602	16.6
97.02885	2.3
97.06508	2.6
97.10155	2.1
98.97582	1.3
99.08106	1.4
105.07025	4.8
107.08575	6.9
109.02869	2.7
109.10148	9.8
111.08073	3.6
111.11691	1.5
115.05455	0.7
116.98598	0.8
119.05071	0.7
119.08577	3.3
121.02811	0.9
121.10101	3.9
123.04401	0.8
123.11703	7.9
123.56637	0.7
125.02309	0.9
131.04919	2.6
133.10149	1.4
135.11662	5.2
137.05949	4.5
137.09586	1.2
137.13252	4.7
143.03413	2.0
145.10097	1.1
145.86536	0.6
147.04398	3.2
147.11673	1.9
149.13234	3.5
151.07404	0.8
151.14833	0.7
153.01819	30.2
153.12721	2.0
161.13277	1.2
163.14862	2.8
165.12756	2.3
167.07054	1.7
167.14355	0.7
177.05492	1.4
177.16418	1.0
181.05075	0.9
187.07422	0.9
193.15857	2.0
204.47322	0.7
213.50079	0.7
217.19633	0.8
220.24147	0.8
233.04370	1.3
242.01994	0.8
251.02257	1.0
255.03931	0.8
264.14822	0.8
269.03204	0.8
273.25827	2.0
279.26834	1.8
281.15167	1.3
282.16028	1.6
287.04349	1.1
291.26822	2.6
301.07254	1.8
309.27893	2.5
313.14270	1.4
357.18808	3.0
375.18445	0.9
389.05295	1.2
489.23053	100.0
490.23526	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	489.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01847	0.7
55.05503	5.0
57.03426	2.1
57.07075	0.7
59.38187	0.5
65.03931	1.3
67.05500	18.0
68.05806	0.5
69.03440	0.5
69.07058	4.8
71.04998	0.6
79.05488	8.5
81.03423	0.7
81.07051	18.2
83.04985	0.9
83.08620	3.4
85.06545	0.7
91.05472	15.9
93.07036	10.1
95.04948	1.7
95.08601	15.6
95.09041	0.3
97.06530	2.6
97.10149	1.4
105.07034	4.2
107.04977	0.6
107.08589	6.7
109.06533	0.7
109.10146	7.5
111.08076	2.0
117.07001	1.6
119.04934	24.4
119.08582	3.2
119.44913	0.5
121.06464	0.6
121.10141	7.3
123.04397	0.5
123.11721	2.9
125.09563	0.6
129.05482	0.5
129.07002	0.9
131.08556	2.0
133.10133	6.4
135.11707	5.5
137.09607	1.0
139.11311	0.4
142.74413	0.4
145.10101	1.8
147.04401	100.0
147.11676	1.9
148.04721	1.2
149.13261	1.9
151.11172	1.7
151.35335	0.5
159.11632	1.2
159.90652	0.5
161.13211	0.6
163.11172	0.5
165.05467	13.4
173.13264	1.0
181.12364	0.6
215.17964	3.9
216.96432	0.5
221.08061	1.0
229.46935	0.5
233.19020	3.4
234.68454	0.6
235.20561	0.6
243.74892	0.5
251.20055	5.4
325.23700	19.2
471.26797	0.6
489.28641	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	489.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92982	12.9
55.05497	29.8
65.12856	11.9
67.05473	36.2
67.76626	11.4
69.07070	62.1
69.45055	21.7
69.45456	87.2
73.14255	12.3
79.05486	46.9
79.90096	11.4
81.03391	13.6
81.07039	100.0
83.08572	18.8
85.02880	40.7
91.05469	35.3
93.07011	44.2
95.08600	83.3
98.97580	19.2
105.06993	27.0
107.08572	37.1
109.10143	43.2
119.04913	12.5
119.08485	11.8
121.10107	35.5
123.04427	16.5
123.11667	32.8
131.08545	22.4
135.11647	31.7
137.05960	33.6
137.13272	17.1
147.04420	41.2
149.13269	28.9
159.47629	11.8
163.14952	12.3
164.67316	13.0
167.07007	27.5
181.04987	16.2
191.17912	17.5
245.95505	12.4
248.54904	12.7
273.25720	18.0
291.26797	12.6
327.12195	17.7
345.17542	19.8
353.04779	14.4
489.11401	24.8
489.17792	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.0
69.03429	5.6
69.85337	0.7
71.04987	1.2
71.41826	0.9
71.42132	0.9
72.08135	1.7
73.02921	1.1
81.03413	1.0
83.51894	0.7
84.06445	0.6
84.58854	0.7
85.02900	6.4
86.09703	1.4
87.04473	1.1
97.02878	2.8
98.97588	0.8
99.04462	0.9
109.02814	1.1
123.04408	1.0
126.03967	0.6
127.03921	2.2
135.36186	0.8
139.03900	5.0
147.04341	1.3
153.01817	2.1
163.03908	0.7
185.04219	6.1
213.49976	0.6
271.06088	0.9
304.71686	0.7
309.03815	0.9
327.04706	55.0
328.04980	0.8
390.63202	0.7
453.07922	0.8
471.08960	1.9
489.09991	100.0
490.10776	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01875	0.7
55.05509	3.5
57.03431	2.3
57.07068	0.4
65.03926	1.3
67.05500	11.8
69.07060	2.8
70.97617	0.3
71.04979	0.4
79.05485	6.3
80.34161	0.3
81.07049	10.7
83.04993	0.4
83.08617	2.8
83.47522	0.3
85.06558	0.3
85.59140	0.3
91.05473	10.6
91.46618	0.3
93.07037	6.1
95.04958	0.7
95.08600	10.1
96.44492	0.3
97.06521	1.7
97.10178	1.0
98.67537	0.3
105.07029	2.3
107.08569	3.0
109.10147	4.7
111.08045	1.3
117.07040	0.9
119.04934	20.6
119.08527	1.8
119.85269	0.3
121.10139	4.9
123.11700	2.3
125.09653	0.4
131.08548	1.4
133.10106	3.5
135.11678	3.1
137.09619	0.8
137.13159	0.5
145.10062	0.5
147.04396	100.0
147.11679	0.8
148.04735	0.9
149.13246	1.2
151.11192	1.3
159.11665	1.1
165.05461	14.6
173.13321	0.4
192.08510	0.3
215.17990	1.5
221.08075	0.9
233.19038	1.9
251.19972	2.6
259.17136	0.3
325.23703	13.1
489.28455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	1.0
69.03429	5.6
69.85337	0.7
71.04987	1.2
71.41826	0.9
71.42132	0.9
72.08135	1.7
73.02921	1.1
81.03413	1.0
83.51894	0.7
84.06445	0.6
84.58854	0.7
85.02900	6.4
86.09703	1.4
87.04473	1.1
97.02878	2.8
98.97588	0.8
99.04462	0.9
109.02814	1.1
123.04408	1.0
126.03967	0.6
127.03921	2.2
135.36186	0.8
139.03900	5.0
147.04341	1.3
153.01817	2.1
163.03908	0.7
185.04219	6.1
213.49976	0.6
271.06088	0.9
304.71686	0.7
309.03815	0.9
327.04706	55.0
328.04980	0.8
390.63202	0.7
453.07922	0.8
471.08960	1.9
489.09991	100.0
490.10776	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	2.2
53.03943	9.2
53.72003	1.3
55.01859	2.9
55.05503	24.4
57.03427	2.8
57.07059	1.7
65.03922	4.8
67.05499	63.8
69.03424	3.0
69.07053	13.3
70.85371	4.4
71.04978	2.0
73.06556	2.5
77.35730	1.4
79.05484	100.0
81.03406	9.6
81.07049	62.1
82.12666	1.2
83.04967	15.6
83.08604	7.8
85.06557	2.7
91.05475	81.0
93.07034	76.6
95.04963	32.9
95.08591	36.9
97.06502	11.0
97.10165	2.8
97.80099	1.4
103.05483	2.1
105.04536	1.7
105.06301	2.9
105.07018	55.6
107.04962	11.7
107.08584	21.4
109.06506	9.9
109.10158	5.8
111.08131	1.9
115.05479	1.9
117.06996	12.0
119.08563	30.9
121.06497	4.9
121.10144	6.5
123.08044	8.6
127.07523	1.9
128.06215	4.1
129.06976	22.8
131.08556	5.7
133.06429	1.9
133.10104	14.7
135.11641	2.2
135.63997	1.4
141.07037	1.8
141.09053	2.0
143.08559	12.8
145.10101	14.8
147.08031	2.7
147.11667	41.6
161.09592	5.8
161.13223	22.0
163.11163	2.2
171.11671	36.5
179.14331	5.2
189.12718	15.8
207.13771	42.0
225.14874	8.7
232.95929	1.4
281.17230	1.9
419.46820	1.5
459.31512	1.5
469.29346	2.1
487.30478	46.8
488.30579	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	489.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66816	0.7
52.97793	0.7
56.96291	1.5
56.96565	24.3
57.03435	0.9
58.06592	1.0
58.27617	0.6
69.03422	0.8
69.52168	6.4
70.98082	0.9
71.04988	0.8
74.97613	3.4
75.80492	0.8
76.07636	4.5
77.07940	0.9
84.96033	17.7
85.02901	2.6
88.98631	0.8
88.99136	1.2
97.02892	0.9
97.96795	4.4
98.97582	17.8
101.00845	1.5
102.97044	1.7
107.04982	1.1
110.97539	3.5
112.99166	0.9
115.97846	1.9
116.98623	11.6
119.01928	7.6
124.99124	2.0
127.03876	0.7
128.98584	7.3
131.00168	7.1
131.01831	1.8
131.21222	0.8
132.98125	1.0
133.28168	0.7
133.98891	1.2
134.99716	4.3
137.02945	1.5
140.98604	1.3
141.99400	1.6
142.01112	1.0
143.00174	16.6
143.01915	2.3
145.01753	1.2
146.99643	4.5
147.01285	1.0
149.01225	7.1
150.99146	3.3
152.98563	1.1
155.00156	2.9
155.01865	1.5
156.03612	1.5
157.01755	4.2
157.03488	1.9
158.99651	6.2
160.00470	2.3
160.02196	1.5
161.01225	17.4
161.02940	4.1
162.99164	1.4
165.00813	1.2
167.02034	1.3
169.00201	1.8
170.99643	2.6
173.01244	8.0
173.02982	3.3
174.99182	1.0
175.02788	4.9
175.04512	1.6
177.00757	7.6
177.02266	1.2
179.02263	2.1
181.03506	1.4
182.99680	1.3
183.03302	0.9
184.45798	0.7
184.47493	0.9
184.92654	0.7
185.01300	1.0
185.02975	1.1
189.00714	2.6
191.02319	8.0
191.03856	1.6
193.01768	3.0
195.05107	2.1
196.67598	0.8
200.04489	0.9
201.00665	5.1
203.02307	1.1
203.04042	1.5
207.04964	1.4
209.03249	1.8
211.02733	4.1
215.02284	1.2
219.01732	6.5
219.05135	1.2
223.02702	1.2
223.04539	2.0
225.06079	1.4
228.05728	1.0
233.03285	5.6
235.06680	1.7
237.02797	9.3
237.06158	2.5
249.06148	2.5
251.01801	1.8
251.04384	34.9
253.05496	0.9
253.07761	4.2
267.07169	2.9
269.05453	100.0
270.05917	0.9
271.06345	1.4
272.38345	0.8
274.06183	1.0
277.05566	1.5
279.03793	2.3
281.04654	1.1
281.07156	2.5
287.06522	31.2
292.07056	2.4
295.06586	3.8
297.04803	3.0
309.04904	7.1
311.08426	1.3
315.05939	1.2
327.05945	31.4
337.06903	1.0
339.09320	1.8
345.07025	4.9
357.06790	1.0
369.08594	6.6
385.08395	0.9
387.09683	3.0
395.08041	1.0
399.09647	1.2
413.07584	27.7
415.08951	1.0
425.09811	0.9
427.10699	4.0
431.08664	31.4
445.11234	3.4
449.09705	3.4
453.08429	2.0
454.10077	1.5
471.09424	5.3
489.09668	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	487.2146
Annotation	Artelastochromene
Peak:m/z	Relative Intensity
62.82333	0.4
69.03443	0.5
70.06611	2.5
71.00153	1.0
71.04979	0.6
75.41761	0.4
81.07047	0.5
85.02889	0.7
86.09706	4.4
91.05468	0.5
95.08594	1.0
105.06997	0.8
105.64061	0.4
109.10119	0.6
119.08622	0.6
131.04851	0.5
137.05942	0.8
146.09273	0.5
149.13312	0.6
150.35216	0.4
153.01849	1.0
199.17990	0.8
229.15628	1.0
325.16354	0.9
326.06610	0.7
335.09543	4.6
341.02692	1.7
342.06073	4.7
355.17316	0.9
359.01212	0.8
361.02545	1.4
377.01788	7.3
378.02399	0.7
379.03064	0.5
395.02911	3.2
487.06949	3.9
487.21475	100.0
488.22144	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2145
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
60.43467	0.4
69.60418	0.9
69.60822	2.7
70.06595	0.5
81.03462	0.5
81.07067	0.4
84.54044	0.4
85.02873	0.4
86.09692	1.1
98.21565	0.8
106.76181	0.3
137.06004	0.6
143.16115	0.4
147.29372	0.4
203.05305	0.8
227.69547	0.4
232.35068	0.4
245.50093	0.4
259.08002	0.9
325.16342	0.8
331.39865	0.4
377.01981	1.0
395.03082	0.7
487.21478	100.0
488.21771	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	487.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17793	1.3
51.02355	1.8
51.28883	1.2
53.03944	8.4
55.01866	5.3
55.05507	21.1
57.03418	2.5
59.72210	1.2
65.03924	3.9
67.05501	74.4
69.07066	13.7
69.36140	7.7
69.36565	4.6
71.04987	2.6
73.06535	3.7
77.03913	2.0
79.05489	100.0
81.03410	10.4
81.06572	2.8
81.07051	55.0
83.04980	17.5
83.08617	8.3
85.06538	3.0
91.05476	81.1
91.17747	1.4
93.07036	77.7
95.04964	31.8
95.08598	35.2
97.02850	1.8
97.06511	6.4
97.10160	5.3
98.20699	1.4
99.08105	1.4
103.05442	1.7
105.07024	58.0
107.04941	8.9
107.08591	24.7
109.06500	9.3
109.10157	5.4
113.38673	1.7
115.05387	2.9
117.06998	10.0
119.08577	36.3
119.09441	1.8
121.06525	3.2
121.10132	7.2
123.08051	8.7
127.07536	2.1
128.06203	7.3
129.07002	24.9
130.07813	1.3
131.08551	5.0
133.10114	15.8
135.11661	3.4
143.08540	11.7
145.10133	11.8
147.08043	4.3
147.11679	40.1
156.09305	2.2
161.09598	3.5
161.13260	21.8
163.11195	1.7
169.10106	1.8
171.11687	39.0
179.14294	4.2
182.87959	1.6
184.30833	1.3
189.12740	18.2
207.13777	43.6
225.14784	7.5
281.17426	4.9
308.28888	1.5
338.91037	1.4
487.30447	48.2
488.31058	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.2
56.67449	1.0
56.96564	1.9
57.03429	1.9
61.59482	1.0
67.05497	1.3
69.03425	7.4
69.50457	9.7
70.06580	1.8
70.74046	1.2
71.04985	2.0
79.05483	2.2
81.03426	6.3
81.07085	1.8
84.78275	1.4
85.02892	5.5
86.09753	1.6
87.04457	2.5
89.02330	1.1
91.05475	11.9
93.07004	2.3
94.04195	3.4
95.04965	3.0
95.08581	1.1
96.67836	1.1
97.02905	4.6
99.04436	1.3
103.05457	10.0
104.07096	4.9
105.07011	4.1
107.04944	4.1
107.08573	1.2
109.02896	2.2
109.06493	1.7
109.10197	1.3
111.04433	3.6
115.05450	4.9
116.98604	2.1
117.06994	6.4
119.04942	19.6
119.08559	1.7
121.06494	1.8
122.03642	7.5
123.04394	1.7
127.03951	2.3
128.06241	1.8
129.06996	7.3
131.04921	14.2
131.08531	4.2
133.02858	1.7
133.06493	4.4
134.99570	1.4
135.59483	1.1
137.05972	100.0
141.06982	3.9
143.04941	2.5
143.08531	3.1
144.05629	2.1
145.05067	1.5
145.05289	1.8
145.06465	14.1
147.04401	54.1
149.05927	6.8
151.03871	2.9
151.07552	35.5
152.06244	1.3
153.01804	2.6
153.07018	1.6
153.32817	1.3
154.07703	1.3
155.08557	1.9
157.06480	4.8
159.08052	5.8
160.05157	2.7
161.05956	7.2
161.09622	1.3
162.06728	1.6
163.07535	22.0
164.08246	1.5
165.05522	1.7
165.06947	1.5
165.09111	2.5
167.07045	2.4
167.08470	2.2
169.06485	5.1
171.08051	5.0
173.06004	2.3
173.09798	1.5
174.06779	3.6
175.07556	16.7
177.05470	8.3
177.09099	13.2
179.07040	32.8
179.10513	1.4
181.04985	2.8
181.06389	2.3
183.08011	1.9
184.05173	1.6
185.06010	2.4
185.09674	2.3
186.06665	2.2
187.07480	8.8
189.09082	9.0
190.06271	1.4
191.06989	8.6
191.10699	3.6
192.07753	1.5
193.08664	5.5
195.08096	3.9
195.10152	1.6
197.06036	3.5
197.09554	1.3
199.07587	4.2
201.05397	2.7
201.09111	11.5
203.07002	3.5
203.10709	5.8
205.08598	4.5
206.05768	1.6
207.10034	2.5
209.08086	2.2
211.07695	1.8
213.05553	1.9
213.09148	3.7
215.07018	3.4
215.10678	1.8
216.67419	1.1
217.08562	7.5
219.10185	5.3
221.08107	2.3
223.09639	1.5
225.09137	2.0
227.07043	2.6
227.10684	3.1
229.08670	7.1
231.10211	4.2
237.02859	1.5
241.08578	3.1
243.10150	2.6
245.08089	3.4
245.11761	3.6
247.09717	5.7
249.11258	1.6
255.10185	2.5
257.11853	2.2
261.11227	3.1
273.11288	10.0
275.12881	2.1
291.12305	16.1
308.12238	1.9
311.12564	1.4
315.11984	1.4
333.13495	2.1
344.10300	1.3
349.14270	1.4
354.12704	1.6
361.41321	1.4
361.46384	1.3
427.16617	2.0
451.17474	2.5
469.18445	4.1
487.21130	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	487.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41417	1.1
53.03941	2.0
55.01872	2.4
61.02955	1.0
67.05510	1.6
69.03411	7.1
69.50500	4.2
69.50926	5.3
70.06579	1.3
70.21545	1.0
73.95443	1.0
79.05489	3.5
81.03411	6.7
83.04946	1.4
85.02908	4.3
86.09685	2.0
87.04446	2.6
91.05468	13.2
93.07057	2.4
94.04175	2.9
94.70541	1.2
95.04967	3.8
97.02880	3.4
98.97568	2.0
103.05457	9.4
104.07107	3.5
105.07011	3.8
107.04299	1.2
107.04964	4.6
108.05666	1.2
109.02921	1.4
111.04424	3.5
115.05429	3.2
116.98641	1.5
117.07005	7.3
119.04927	17.7
121.06505	3.0
122.03648	6.5
123.04417	1.6
123.94209	1.2
127.03916	1.8
128.06209	1.8
129.07021	4.0
131.04912	17.1
131.08571	4.8
133.02832	2.1
133.06454	5.3
135.04405	1.6
136.05150	2.3
137.05969	100.0
141.06998	4.5
143.04907	2.1
143.08543	3.2
144.05711	1.9
145.06467	12.8
147.04387	49.3
147.08041	1.4
148.05077	1.2
149.05986	4.8
151.07536	34.2
152.06210	1.4
153.01854	2.1
155.08498	1.7
157.06482	4.9
158.07257	1.6
159.08006	5.3
160.05212	2.5
161.05962	6.3
162.06776	2.0
163.03899	1.4
163.07523	22.4
164.08340	1.9
165.05489	2.9
165.06937	1.9
167.07103	1.7
167.08545	1.6
169.05072	1.4
169.06468	4.2
171.04529	1.5
171.08063	5.5
173.05942	1.5
174.06747	3.4
175.07533	19.9
176.08354	1.4
177.00807	1.3
177.05489	7.7
177.09088	14.3
179.07024	38.9
179.10577	1.1
181.04973	1.9
181.06496	1.5
183.08076	2.7
184.08852	1.4
185.05914	1.4
185.09528	2.1
187.07524	11.1
188.08272	2.0
189.05507	2.4
189.09100	9.7
190.06212	1.5
191.07016	8.2
191.10614	2.6
193.08629	6.2
195.08075	3.7
196.08720	1.3
197.05974	3.1
197.09485	1.2
199.07619	3.9
201.05342	2.7
201.09073	10.3
203.07016	5.0
203.10693	4.4
204.07669	1.3
205.08574	6.2
206.05818	1.4
207.10112	2.7
209.08078	1.8
211.07600	2.7
212.08208	1.8
213.09000	2.5
215.07066	2.7
217.08618	7.4
219.10167	3.6
221.08104	2.6
223.07588	1.8
227.07072	2.7
227.10661	4.3
229.08563	8.4
231.10254	4.8
233.08069	1.5
241.08626	3.0
243.10298	1.5
245.08089	4.8
245.11841	4.1
247.09636	6.1
249.11211	1.9
251.10468	1.5
255.10193	4.5
257.11673	2.5
261.11163	2.9
266.08112	1.6
272.09927	1.2
273.11133	10.4
275.12732	1.8
289.10577	1.5
291.12286	17.5
303.09860	1.5
308.12094	1.3
333.13428	1.8
335.12637	2.7
354.13226	1.4
355.16104	1.3
358.62659	1.2
427.16464	1.6
439.17990	1.3
453.72791	1.4
469.18460	3.6
487.20633	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	487.162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.1
56.96562	3.2
61.02933	4.3
62.83716	2.5
65.53025	2.6
67.05495	9.7
69.03414	8.1
69.07074	3.5
70.72212	6.2
71.04992	4.2
79.05489	6.9
80.55038	2.0
81.03423	20.0
81.07057	17.6
83.04987	5.0
84.04503	5.8
85.02903	11.4
91.05477	8.7
93.07040	7.5
94.04191	3.9
95.01347	2.8
95.04976	8.0
95.08610	11.8
97.02909	5.9
103.05494	4.6
105.07043	11.2
107.04952	7.5
107.08607	5.5
109.02829	13.7
109.06508	5.8
109.10167	7.8
111.00317	2.5
115.05492	3.4
119.04961	3.1
119.08595	2.8
121.06466	3.3
121.10136	4.2
122.03671	6.9
123.04414	16.0
123.11668	2.7
127.03896	13.4
128.06195	3.3
129.07007	3.3
131.04961	4.6
133.06525	5.0
133.10126	2.8
135.04370	2.5
135.11729	4.2
137.05969	100.0
139.03923	9.1
144.05705	3.8
147.04411	13.9
149.06035	4.7
149.13133	2.7
151.03935	6.8
151.07552	5.8
153.05482	25.5
155.04950	7.0
159.08046	6.2
161.05994	18.7
161.13321	2.5
163.02690	2.2
163.07536	4.7
167.07024	3.0
169.04955	30.3
172.05214	5.8
173.06000	3.4
175.07515	4.9
175.14839	3.0
181.04933	3.1
181.96825	2.3
185.04301	3.0
187.07552	49.0
188.08282	5.7
189.07022	2.8
189.09093	2.8
189.16478	2.7
190.07793	6.6
191.06982	7.1
191.08571	20.1
197.04512	6.5
205.06544	3.0
208.08723	3.3
215.05449	31.5
218.07260	10.1
219.08051	35.6
221.06102	3.0
233.05937	3.7
235.07628	4.8
236.08412	5.4
237.02731	3.0
237.09148	3.4
237.22389	2.5
241.49628	2.5
247.07573	12.2
251.10715	39.9
257.08194	2.9
264.07846	8.1
265.08713	6.8
273.07819	3.3
273.11258	3.0
277.08307	2.8
279.10159	40.2
280.11099	3.7
283.09692	2.8
289.25070	3.2
296.10361	5.3
297.11148	9.5
307.26349	4.8
311.12756	59.9
325.03207	4.6
361.02307	9.7
361.16125	2.7
363.10977	6.9
379.03601	3.3
414.54272	2.4
487.10635	8.7
487.16299	11.6
487.21252	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01867	0.8
55.05494	0.8
56.96548	1.7
57.03413	1.9
57.07074	10.5
61.02912	2.0
61.80865	0.7
67.05502	1.6
67.05843	0.7
69.03427	3.5
69.07048	1.5
70.27463	2.4
71.04990	0.8
71.08625	14.9
73.02914	1.8
79.05486	2.0
81.03403	2.7
81.07042	1.5
85.02906	8.1
87.04462	1.0
89.06026	80.7
91.03938	1.3
93.07031	0.8
97.02879	5.5
99.04436	0.8
107.07063	6.8
113.13246	0.9
119.08559	0.8
124.01977	0.8
125.34857	0.7
127.03911	2.1
133.08592	33.7
145.04926	0.8
151.09633	5.3
177.11247	7.8
195.12270	100.0
196.12596	1.1
269.10501	0.8
287.11496	1.1
307.24753	46.7
349.17572	0.8
367.17807	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0843
Annotation	Tjipanazole E
Peak:m/z	Relative Intensity
51.15479	0.3
55.11755	0.2
56.96548	0.3
59.00808	0.2
60.69050	0.3
61.02927	0.5
62.14352	0.2
69.35076	0.9
69.35498	1.7
70.06582	0.3
73.02921	0.3
74.23302	0.3
85.02881	0.5
93.07025	0.3
96.64375	0.2
97.02879	0.4
107.08575	0.3
137.06010	0.3
137.72897	0.3
146.05156	0.3
152.12788	0.2
153.01830	0.5
185.04208	14.4
253.68570	0.2
324.02359	7.3
325.03165	7.7
361.02246	2.2
369.08328	0.3
379.03357	1.1
381.00891	0.4
458.33536	0.3
487.08456	100.0
487.20618	3.0
488.08774	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	486.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.6
53.32134	0.9
53.35274	0.8
54.24122	0.7
55.01867	1.1
55.05307	0.6
55.05510	7.6
56.05029	1.6
56.96558	1.1
57.03432	1.4
57.07053	1.5
57.98779	1.1
58.99584	15.2
61.01128	0.9
61.06875	0.7
61.73726	0.7
62.03074	0.7
65.03927	1.0
67.05504	35.4
69.03416	2.2
69.07068	5.1
70.89265	1.5
70.89666	1.7
71.04987	2.2
72.08135	2.2
76.02225	63.6
76.03972	2.4
79.05489	10.5
80.05009	0.8
81.03426	1.5
81.06576	1.5
81.07053	28.1
83.04980	1.9
83.06112	4.7
83.08606	3.1
84.04034	1.6
84.04501	20.9
85.01109	1.3
85.02937	0.8
86.99049	3.3
87.02708	1.2
88.02188	0.8
91.05475	6.5
93.07038	11.3
95.04958	4.4
95.08601	45.7
97.06533	1.6
99.05557	1.2
105.07025	8.6
107.04925	0.9
107.08585	5.9
107.88342	0.8
108.08108	1.2
109.06510	4.3
109.10154	32.5
113.04218	2.5
116.01673	26.0
117.07032	1.3
119.08591	11.6
121.10120	3.1
123.08083	4.1
129.06577	4.9
129.64395	0.9
130.05011	6.4
130.06853	3.1
130.08643	1.2
131.14436	0.9
133.10120	3.9
134.09621	2.1
135.11694	1.6
137.09625	4.4
137.13211	0.8
139.05757	1.4
141.07339	1.2
142.03203	4.8
144.00127	0.9
144.01157	13.1
145.06062	1.4
147.04430	1.0
147.08038	1.1
151.14809	19.8
161.13251	9.7
162.02196	44.1
167.05261	0.9
170.02699	2.7
176.14360	0.9
177.15189	1.4
178.15877	2.2
179.04846	100.0
179.14301	38.4
187.05386	4.1
199.07074	0.8
203.14343	1.6
216.06833	1.9
233.05917	18.7
233.09479	1.6
236.14665	3.1
237.12997	2.0
245.05936	3.6
290.07932	1.4
291.06369	1.3
308.09094	13.2
339.17438	12.0
348.09973	0.9
393.18607	0.9
411.19485	17.6
468.21677	4.3
486.23041	5.7
487.16214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01852	1.1
55.05511	8.7
57.03422	1.4
57.07068	1.4
58.99587	16.4
65.03942	1.5
67.05501	33.4
69.03418	1.7
69.07063	4.2
70.72609	1.7
70.72946	2.2
72.08160	2.4
75.89198	1.0
76.02225	70.1
76.03994	2.6
79.05494	10.1
81.07053	26.6
83.05006	1.5
83.06104	3.3
83.08646	3.1
84.04499	20.1
85.01136	1.8
86.99062	5.2
87.02647	1.4
88.02229	2.3
91.05476	8.5
93.07037	13.7
95.04966	5.1
95.08601	45.1
95.90308	1.1
97.06546	1.3
99.05571	1.7
99.57765	1.0
105.07018	11.6
107.08555	6.6
108.08086	1.4
109.06532	4.5
109.10152	29.3
113.04165	1.1
114.03776	1.1
116.01672	22.4
117.07042	1.4
119.08578	12.8
121.10139	3.4
123.08057	3.9
129.06619	3.3
130.04987	8.5
130.06856	2.7
133.10129	5.3
134.09645	3.0
135.08118	1.6
137.09593	3.8
139.05757	2.8
141.07245	1.4
142.03217	7.0
144.01137	12.9
145.06126	2.3
147.08022	1.5
151.14821	20.6
156.08429	1.2
161.09659	1.9
161.13257	13.1
162.02206	42.2
167.05310	1.6
170.02672	2.6
178.16003	1.3
179.04842	100.0
179.14301	35.0
179.15802	2.0
187.05354	3.6
203.14252	1.2
215.04877	1.3
227.76794	1.0
233.05907	17.6
233.09482	1.5
236.14690	4.9
237.13074	3.7
245.05908	3.2
254.15742	2.7
272.42590	1.1
291.06433	1.9
308.09082	13.9
312.40067	1.0
339.17334	13.2
357.18137	1.4
376.62738	1.1
393.18329	1.6
411.19464	17.2
468.21136	5.8
486.22748	3.2
487.19376	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	485.1993
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
61.02901	0.3
69.03440	0.7
69.07043	0.5
71.59590	0.7
79.05441	0.4
81.07043	0.8
85.02909	1.0
91.05466	0.5
93.07050	0.6
97.02905	0.5
105.07000	0.5
127.03727	0.4
139.03838	0.3
145.03459	0.6
145.10089	0.4
147.04420	0.7
155.03146	0.5
174.10548	0.4
185.04228	0.6
229.06952	0.8
256.60211	0.4
267.08951	0.5
285.12933	0.4
298.25305	0.4
317.08408	38.4
335.09540	0.6
485.19839	100.0
486.19940	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2356
Annotation	LG-629
Peak:m/z	Relative Intensity
56.52410	0.4
67.05517	0.8
69.03437	0.4
69.07086	1.0
71.04998	0.7
71.59490	0.6
74.21291	0.4
79.05477	0.5
81.03388	0.4
81.07047	2.4
82.07396	0.6
83.04913	0.4
85.02930	1.1
86.69463	0.4
91.05495	0.5
93.07069	0.8
93.10184	0.3
95.08620	1.0
97.02879	0.4
105.07072	0.5
107.08613	0.4
109.10177	0.5
121.74612	0.4
123.04488	0.5
135.11670	0.4
137.06015	0.5
142.03397	0.4
145.55865	0.3
147.04446	1.2
147.11491	0.4
163.04239	0.3
174.02986	0.3
177.05521	0.4
185.83351	0.4
203.05324	0.5
221.04955	0.4
271.24591	0.4
317.08386	3.0
339.17676	2.8
343.15512	0.4
347.09543	1.7
349.11023	3.5
375.50867	0.4
379.27213	0.4
485.23770	100.0
486.24277	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	485.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43830	2.0
56.96555	2.2
58.99858	9.3
60.30186	2.0
69.03421	3.1
69.37091	10.6
69.37519	11.9
70.99860	3.4
73.02898	2.5
73.85467	2.0
77.00903	23.1
77.95557	1.9
85.02900	7.9
87.05530	2.2
89.00880	5.2
95.01954	12.1
97.02885	4.1
98.97600	5.0
101.00878	24.6
107.04941	13.5
107.65018	1.9
113.00885	3.2
115.02420	5.8
116.98599	3.6
118.01181	2.7
119.01916	100.0
121.32072	2.3
121.72286	2.5
128.98581	2.3
131.01898	14.9
133.03461	23.0
135.01387	16.0
137.02962	21.3
142.01086	2.5
143.01880	14.2
143.61780	2.2
144.99809	23.1
145.03465	4.1
147.01390	10.9
149.02945	11.9
151.04530	4.2
153.02524	12.6
157.03415	2.7
159.01424	9.6
160.02147	6.0
161.02951	20.4
163.00919	3.6
165.02539	3.1
165.03986	7.6
168.99872	6.9
171.01392	8.1
172.99284	11.5
173.03000	6.6
175.00948	4.8
177.00902	4.4
177.02461	34.7
177.03946	3.8
179.04079	2.1
181.03445	3.5
183.05049	9.4
184.99333	12.5
185.02943	3.0
185.06624	9.3
187.00876	25.3
189.02425	23.9
191.00374	15.8
191.04028	4.1
193.01895	4.7
193.03482	4.6
195.03506	5.5
195.05025	59.1
195.06677	4.0
197.06529	3.5
199.00945	6.4
199.04497	3.7
199.48837	2.5
203.00381	23.3
205.01924	18.2
205.03540	2.9
207.03450	9.7
207.05132	12.4
209.06593	5.3
212.98843	8.3
213.02454	2.8
213.06088	17.8
215.00410	15.3
217.01863	21.7
217.03508	2.2
219.05022	7.0
219.69612	2.2
223.02924	6.9
223.04759	4.8
225.06097	20.8
229.02046	7.0
229.05574	3.7
230.99841	39.6
233.01427	3.7
235.02539	3.6
235.04779	13.1
237.02660	2.6
237.06125	17.1
243.07121	10.7
245.01276	12.0
247.02905	22.3
249.06061	16.2
251.04283	3.0
253.05582	21.9
254.01506	2.7
257.05051	2.5
261.02744	3.0
262.90967	2.3
263.02368	42.4
263.04623	2.6
265.03897	3.3
266.56601	2.3
267.07123	25.4
269.04944	4.2
271.06656	22.0
273.02640	3.7
277.05527	5.2
279.60590	2.5
281.05087	17.7
283.06738	2.5
291.03519	3.0
293.05075	8.1
295.06583	29.2
297.04559	9.1
305.03381	3.4
307.02948	4.7
307.06384	2.8
308.54086	2.4
310.76559	2.6
311.06033	6.6
321.04620	11.0
323.05264	6.5
325.07648	5.4
335.02344	5.9
335.06015	3.0
337.04120	3.5
337.07773	7.8
339.05612	6.0
349.04135	3.9
351.05551	9.5
353.07123	9.1
357.06555	2.8
363.05707	4.5
365.07394	3.2
367.05045	28.9
379.05261	2.9
381.06631	17.8
385.06146	3.0
397.06335	2.7
409.06244	6.4
423.07648	7.9
425.05679	14.0
427.07233	15.9
441.08792	7.9
443.06818	5.9
485.13745	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	485.0328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52789	1.2
53.38376	1.4
54.31245	1.1
56.96569	3.6
62.18950	1.3
71.58243	1.6
79.60661	1.3
81.06083	1.1
88.44958	1.3
89.53214	1.3
91.49201	1.4
92.90136	1.2
98.97585	5.9
112.46126	1.5
116.52065	1.5
116.98614	10.0
132.96552	1.7
134.99660	7.9
157.27782	1.3
174.97656	2.8
177.00931	1.8
192.98763	5.3
194.98532	3.2
216.95554	1.8
216.98810	2.4
219.01984	3.2
226.75092	1.3
232.96707	3.9
233.96788	3.1
234.96396	7.6
234.99873	6.9
235.99918	1.8
236.99608	5.4
250.97618	9.4
251.97890	2.8
252.97562	14.4
253.01273	1.7
255.00763	1.9
256.96664	4.4
257.96951	2.0
258.96478	6.9
258.99890	11.7
260.00150	4.0
261.00073	6.5
261.02832	7.3
262.03503	1.7
274.97745	23.5
275.92249	1.4
275.97809	9.1
276.97562	36.4
277.00934	17.6
277.97949	2.6
278.01102	6.3
279.00827	14.5
280.00967	1.8
282.96912	2.5
282.99979	17.8
284.00082	5.1
284.99719	16.4
285.99960	1.8
292.98749	7.5
293.98840	4.5
294.98666	12.8
298.97745	18.4
299.97836	5.2
300.97552	31.4
301.01035	33.1
302.01163	15.3
303.00848	39.4
304.01019	4.3
305.00867	2.2
314.95996	1.7
316.45969	1.5
316.95331	3.3
316.98801	41.6
317.98901	18.4
318.98605	80.7
319.98886	4.4
321.01978	1.7
334.99832	2.5
336.00284	1.8
336.99622	4.4
340.00787	1.6
342.00674	1.6
356.96872	2.2
359.00174	3.5
360.00702	2.6
360.99792	11.1
376.97772	3.0
384.99741	1.9
400.97552	2.1
402.01331	3.9
403.00891	7.8
404.01337	4.0
418.98746	12.1
420.97879	2.1
424.97693	4.6
426.01401	2.2
427.01273	5.4
441.99704	2.9
442.97894	41.9
444.02921	2.9
445.02206	23.0
446.02051	2.8
447.01773	2.9
460.00342	5.0
460.99808	100.0
462.00064	7.2
479.01102	2.1
481.98056	1.6
484.01233	4.0
485.01166	17.3
486.01270	2.4
503.02625	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.7
56.96564	1.8
57.03436	7.8
59.04980	2.9
60.69131	1.2
63.85477	1.4
65.00008	1.2
67.05487	1.6
69.03428	21.0
69.07060	3.9
69.97746	1.3
71.08629	49.7
71.59964	1.9
71.60339	2.1
73.02906	3.0
75.04507	2.1
75.26794	1.5
76.40719	1.4
81.03436	1.9
81.07050	2.3
83.04961	1.4
85.02897	16.2
86.09686	2.2
87.04464	15.5
91.05470	2.2
95.08611	1.6
97.02882	19.2
99.08087	100.0
100.08407	2.0
105.05638	1.5
105.07000	1.8
115.03937	23.2
123.04424	1.9
127.03911	3.2
129.12750	13.3
133.04956	20.6
145.04962	2.1
147.04385	4.3
148.66994	1.6
161.61848	1.6
173.15370	89.2
177.05550	2.8
197.01434	1.4
202.60242	1.4
277.09183	1.8
317.84641	1.6
375.03909	6.6
393.04901	2.3
409.09595	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	30.3
57.03431	9.4
57.07074	8.8
59.07767	5.7
67.05496	13.1
68.84170	5.5
69.07065	31.1
71.59582	10.2
81.07064	14.1
83.08617	18.8
91.05473	6.8
93.07014	9.0
95.08618	8.7
97.10172	14.9
98.98457	12.2
99.53246	5.7
104.16978	5.7
113.58374	6.9
155.01105	7.8
157.10188	5.7
160.42107	5.7
169.10234	6.5
258.89151	6.7
285.10263	5.6
311.25806	100.0
465.33478	6.1
483.34744	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
65.03928	3.9
67.05505	1.6
69.03419	3.4
71.34502	2.4
79.01855	2.8
79.05495	8.0
80.05016	2.1
81.03419	9.3
81.05803	3.2
85.02904	2.2
92.05005	8.8
93.34785	1.0
94.06588	1.3
95.04989	2.6
96.08129	8.4
97.02928	1.6
106.06552	61.3
107.01336	1.1
107.04962	1.3
108.08114	34.0
109.02888	3.9
109.05247	2.5
109.18955	1.0
122.06050	3.5
123.06808	8.8
124.07590	44.0
125.02348	2.5
127.03922	3.8
134.06015	36.3
136.07599	7.7
137.08371	2.2
143.03400	7.1
152.07060	99.7
153.01826	100.0
154.08617	1.2
170.08124	77.4
171.02895	3.7
222.32552	1.1
230.08139	2.2
258.07632	8.1
259.08356	13.7
260.09152	3.3
273.06366	1.4
274.07043	5.1
285.77979	1.2
286.06976	6.6
297.06076	5.3
304.08133	7.8
314.12375	3.4
315.06989	1.4
322.14883	1.7
332.13379	2.6
448.12726	1.5
466.08032	0.7
466.13409	55.5
484.14514	90.0
485.14719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18079	0.2
54.58588	0.3
55.05507	0.4
56.96562	0.4
61.02902	0.2
67.05493	0.7
68.71041	0.2
69.46344	1.2
69.46774	1.0
71.04971	0.2
79.05485	0.6
80.79777	0.3
81.03405	0.4
81.07034	0.7
83.22649	0.2
84.86371	0.3
85.02900	0.3
91.05457	0.3
92.76645	0.3
93.07056	0.6
97.06525	0.5
119.08636	0.3
137.06029	0.4
238.80370	0.3
285.09940	0.4
321.16757	1.9
364.16068	0.3
448.08557	0.3
483.21973	100.0
484.22141	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1474
Annotation	Leucocyanidin 4'-methylether 3-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
50.97681	0.9
53.62476	1.0
56.96564	0.9
63.15068	1.0
69.35061	4.1
69.35484	5.7
73.44722	1.1
97.02814	1.1
98.97573	1.0
119.01937	1.8
129.40245	0.9
147.04419	2.1
153.01801	2.4
157.03406	1.7
185.02888	1.1
243.39189	1.1
245.05106	3.2
272.89590	1.0
277.07864	1.1
285.12585	1.0
295.08838	1.8
321.10599	1.3
335.18164	1.3
337.09976	1.2
423.95895	1.0
483.14761	100.0
484.15085	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	483.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70058	1.3
56.96558	1.9
57.03410	1.6
61.02908	3.2
69.03410	10.6
69.48805	11.7
70.06607	1.4
73.02921	2.3
79.77264	1.4
81.03413	3.4
85.02895	16.6
87.04462	1.9
87.29300	1.2
91.05457	1.7
94.06492	1.3
95.04959	1.7
97.02310	1.6
97.02896	8.8
98.97565	3.1
104.04966	1.7
107.04900	1.3
109.02899	2.5
116.98624	2.8
120.08128	2.3
122.06023	1.5
123.04412	1.9
127.03915	3.9
128.98549	1.5
134.99698	2.2
145.04955	2.0
147.04420	3.5
153.01810	9.9
158.09610	1.6
169.08878	1.2
173.07167	1.3
177.00662	2.2
182.79466	1.4
185.07040	1.4
188.07152	1.2
195.09117	1.6
196.09920	10.1
197.10670	2.1
206.04445	1.4
206.08371	23.1
209.07097	3.3
210.07701	1.5
210.11545	1.5
211.08757	1.4
211.12308	13.8
214.54666	1.5
219.01682	1.7
220.09900	2.6
221.10744	14.1
223.08659	6.2
224.09358	9.7
226.10995	1.8
227.08189	4.5
228.08795	1.3
237.02859	2.9
237.10237	3.7
238.11002	8.0
239.08109	2.1
239.11761	32.1
240.12247	1.5
241.09583	2.3
252.08997	2.7
254.10411	1.7
257.12781	6.3
267.11255	66.2
272.11591	5.8
285.12311	77.1
303.13354	100.0
304.56671	2.2
321.14404	5.7
329.34259	1.5
362.60883	1.9
405.09714	1.7
478.44522	1.7
483.14304	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	482.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09641	1.9
55.01860	2.8
55.05499	3.1
57.03436	15.0
57.07059	2.9
59.04991	4.9
60.19728	2.0
61.02924	4.9
67.05506	3.7
69.03431	48.4
69.07066	14.2
69.36617	2.0
69.72207	14.2
70.06626	1.7
71.04988	13.8
73.02908	3.5
79.05493	3.6
81.03412	7.4
81.07059	15.9
83.08593	6.0
84.77306	2.4
85.02903	40.1
87.04467	28.2
91.05471	5.7
93.07033	18.4
94.80318	1.9
95.04941	3.9
95.08591	7.5
97.02888	43.0
99.04388	2.9
103.03950	2.7
105.07007	6.2
107.08580	16.8
109.02869	4.3
109.06496	5.0
109.10165	6.7
111.04457	3.8
111.08066	2.4
115.03156	4.1
115.03930	43.7
117.07010	2.0
119.08583	8.7
121.10135	2.5
123.04424	13.8
123.08038	2.9
125.13274	6.7
127.03902	9.3
133.04958	44.5
133.10107	2.1
135.11697	30.8
137.02322	5.4
139.03883	7.1
145.04939	6.9
145.10104	2.7
147.04393	2.5
151.03870	5.4
153.01840	10.9
153.12749	100.0
159.11600	2.3
163.05923	2.6
165.12735	6.5
169.01395	2.3
177.12756	6.1
178.04971	4.7
181.05020	5.1
195.13815	3.4
212.79195	2.0
231.13799	4.1
246.14777	2.7
249.14833	2.9
249.24278	2.5
259.08112	2.5
267.15942	5.7
274.04239	4.0
285.16962	8.0
295.10257	5.2
297.16910	3.0
302.03757	3.5
303.04980	5.3
315.17963	7.6
319.04501	15.3
320.04828	30.8
321.05365	2.3
333.18964	2.9
377.01743	5.4
395.03070	2.9
451.44934	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.7
57.03425	3.4
59.04981	2.2
65.23497	0.8
67.05524	1.2
69.03079	1.0
69.03428	15.1
69.07060	1.0
71.04990	11.7
71.60177	1.1
73.02914	1.0
73.06548	2.8
75.04459	0.8
79.05474	2.3
81.03407	1.3
81.07053	16.2
85.02902	11.9
87.04470	12.7
91.05492	1.6
93.07039	9.4
95.08597	2.3
97.02882	15.8
97.06532	1.4
105.07073	0.8
107.08585	7.3
109.10155	1.5
115.03932	25.5
115.04738	1.4
127.03897	1.7
133.04962	26.2
135.11690	19.5
145.04939	2.1
148.11154	0.9
153.12740	100.0
154.13049	1.1
163.06047	0.8
167.99324	1.1
171.13873	1.0
190.57140	0.7
223.06204	0.8
241.07100	1.1
255.11198	0.9
259.08160	1.4
277.09088	1.4
285.16925	2.0
295.10190	1.9
304.05292	1.4
363.88626	0.9
405.37119	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91848	0.1
55.05508	0.4
55.22012	0.1
56.05024	1.0
57.03446	0.7
57.05820	0.9
57.07073	3.6
64.07097	0.1
67.05507	0.7
69.07071	0.6
70.06587	3.6
71.08632	2.2
72.08150	100.0
73.08486	0.3
79.05502	0.1
81.07056	0.9
82.96154	0.1
83.08613	0.7
85.10175	1.7
89.06055	0.2
89.92798	0.1
90.09186	3.6
95.08598	1.4
97.10179	0.3
98.20767	0.4
103.07655	0.2
109.10159	0.6
123.11704	0.2
147.73598	0.1
151.20486	0.1
170.05768	5.0
244.09459	0.9
313.27341	22.5
314.27695	0.5
323.28970	0.1
351.23581	0.1
369.99384	0.1
450.13693	0.1
464.31384	1.8
482.32425	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.7
57.03186	0.6
57.03436	8.8
57.07074	29.0
67.05501	7.2
68.05776	0.5
69.07069	5.2
70.06569	1.7
70.18022	0.6
71.08630	20.3
71.33849	1.2
72.08151	52.1
74.31486	0.7
81.07045	8.4
83.08611	5.7
85.10181	12.2
86.61474	0.5
89.06006	1.5
93.07059	0.5
95.08605	11.9
97.10169	3.0
103.07559	1.0
108.75916	0.5
109.10143	4.8
110.55370	0.7
123.11696	2.1
137.13214	0.6
170.05772	51.1
189.75003	0.6
239.23680	2.0
257.24805	1.8
313.27347	100.0
314.27740	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	482.9993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52122	0.7
53.62421	0.7
54.90115	0.8
55.76141	0.7
56.96554	1.0
62.79464	0.7
70.07249	3.5
71.13235	0.7
83.57980	0.7
98.21398	1.2
98.97605	3.6
101.16788	0.8
112.85690	0.7
116.98609	4.6
132.96565	0.7
134.99620	5.1
139.47278	0.7
153.00706	0.9
158.01140	0.7
174.97676	2.4
177.00945	1.2
178.04497	0.8
179.19431	0.8
184.91829	0.8
192.98724	4.4
214.95662	0.8
216.98746	1.8
232.96669	10.4
234.99831	9.2
236.00143	0.9
240.99019	1.3
248.57957	0.7
250.74045	0.8
250.97728	15.0
253.00951	0.8
255.00914	1.2
256.96646	9.8
258.99957	9.0
260.00159	2.2
260.99789	1.7
261.03027	1.2
264.98889	1.3
273.59097	0.7
274.97736	55.5
275.97891	2.8
277.00986	14.4
278.01111	3.8
279.00662	3.4
280.00870	0.8
280.96872	2.1
282.99957	18.2
284.00162	2.7
284.99911	2.1
286.99646	1.0
292.98779	15.5
298.97714	38.9
299.97800	1.7
301.01019	39.5
302.01089	7.2
303.00900	5.2
308.58414	0.9
316.98792	100.0
317.98898	3.2
318.98740	2.2
319.02118	3.3
335.00006	5.1
340.00375	3.6
340.98544	1.1
356.97083	1.8
359.00003	8.0
361.00034	1.5
374.97876	3.1
377.21634	0.8
380.97104	0.8
385.00079	1.3
398.97797	2.0
401.01080	6.4
402.01270	3.8
407.00641	1.2
416.98776	9.3
422.97461	4.9
425.00961	3.9
426.01202	1.2
440.98782	45.5
441.99042	3.1
443.02295	21.4
444.02332	3.2
445.02374	4.0
446.01791	0.8
458.99890	89.5
460.00015	5.1
460.99969	1.6
477.00876	1.7
482.01489	5.1
483.01471	12.0
501.03128	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	482.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.7
54.92749	1.4
55.01860	1.7
55.05511	3.7
57.03432	5.2
61.02927	2.3
67.05489	7.3
69.03432	3.4
69.07065	2.3
71.05008	2.3
71.05530	1.5
72.61128	1.3
75.52970	1.3
79.05482	8.9
81.03417	29.5
81.07062	7.5
83.04980	3.9
83.08609	10.2
85.02893	13.8
88.53748	1.5
91.05484	10.2
93.07053	4.8
95.04971	8.1
95.08594	2.8
97.02900	2.7
97.06532	1.7
100.00336	1.3
101.69827	1.3
102.73409	1.3
105.07073	8.2
107.04943	3.0
107.08617	3.4
109.06555	2.1
109.10105	1.4
111.08049	6.3
115.03904	2.1
119.08561	7.9
120.08076	1.5
121.10154	3.9
129.07008	3.4
131.08592	3.7
133.06494	1.8
133.10143	4.7
137.02361	1.8
137.05948	1.7
147.08025	2.5
147.11697	6.3
149.09605	1.8
153.01848	4.1
153.12752	3.0
157.10115	8.1
163.03824	1.5
165.12770	1.5
175.11197	6.1
180.97165	1.5
193.12242	26.9
211.13277	21.8
230.05293	1.4
267.15878	7.7
272.11145	1.3
285.16949	100.0
303.04944	14.9
304.05338	27.1
319.04449	3.3
320.04874	6.9
320.13242	2.0
429.20477	1.4
447.22278	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	481.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	13.1
57.07071	34.3
59.04968	2.2
66.67575	1.3
67.05500	53.3
69.07070	7.6
71.04985	7.2
71.08624	17.4
79.05489	9.3
81.07050	100.0
83.08620	12.3
85.06545	11.4
85.09775	1.4
85.10188	13.1
90.62334	1.2
91.05460	7.9
92.83933	1.2
95.08037	2.3
95.08598	24.8
97.10184	7.9
105.07039	3.7
107.08578	3.5
109.10154	11.4
123.11702	14.0
125.13287	1.4
133.10117	9.3
137.13261	1.9
151.11194	5.6
151.14792	1.6
169.12311	2.4
171.51964	1.5
187.13268	11.9
221.75511	1.3
239.23727	5.1
273.98154	1.4
278.59607	1.3
310.55484	1.3
335.43500	1.2
357.95728	1.5
481.38861	77.8
482.39124	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	481.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17774	0.8
57.03447	0.9
69.03413	2.4
69.81516	1.5
69.81931	4.3
79.01852	2.7
81.03413	4.2
85.02898	4.7
95.04940	0.7
95.72340	0.7
97.02888	3.8
107.01298	1.6
109.02848	5.4
113.05991	1.2
124.62276	0.8
125.02346	3.2
127.03904	5.7
131.07036	1.4
131.14648	0.9
131.48062	0.8
143.03369	6.2
145.05009	1.0
147.04404	1.0
148.04120	0.8
153.01814	100.0
171.02870	11.6
230.47182	0.9
284.63681	0.8
297.05927	2.3
315.07034	14.1
373.95746	0.9
428.10187	0.8
481.13760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40799	1.5
52.82473	1.1
56.05023	2.9
56.64180	1.2
56.96565	1.4
60.05631	2.1
60.58028	1.1
65.74587	1.1
69.03409	3.3
69.60863	8.7
70.06590	1.9
73.02890	1.2
79.01830	2.6
81.03431	2.5
83.06078	2.4
85.02881	5.6
95.06079	1.6
97.02881	2.7
105.87811	1.2
111.05546	4.6
113.07101	2.0
120.04457	2.2
122.05992	1.2
125.02303	2.2
126.06674	1.6
127.03918	2.2
127.07352	1.3
132.04448	9.8
134.05980	1.9
137.05908	1.3
140.08173	2.1
143.03368	4.6
147.04405	1.6
150.05513	11.3
151.06139	5.1
153.01817	53.8
153.02869	1.9
154.02312	1.4
163.03886	1.1
168.06551	3.5
171.02933	1.8
187.08665	3.2
202.09735	4.3
203.08272	1.6
230.09277	2.4
231.07677	20.4
233.13914	6.2
234.12276	1.5
237.02739	2.0
242.09186	2.8
246.05675	1.8
256.28415	1.1
257.10333	4.1
259.11871	22.5
277.12946	83.5
284.11441	2.8
287.05392	1.3
302.12445	44.1
317.08505	1.3
319.04541	2.9
319.15131	100.0
320.15332	2.6
436.52625	1.4
439.18192	1.4
454.23987	1.1
481.13043	23.9
481.20264	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05502	1.2
56.96550	1.8
57.03413	0.7
61.02924	0.7
69.03411	1.6
70.06545	0.7
71.04963	0.6
71.59226	0.6
73.02883	0.6
76.15528	0.4
79.01846	0.7
79.05458	0.5
81.03399	2.1
81.07059	0.5
85.02893	3.8
88.03979	0.6
91.05476	0.8
97.02863	1.7
98.97563	2.0
106.73866	0.5
107.01292	0.6
109.02862	1.7
116.98610	1.9
119.01887	0.7
119.04961	0.6
120.08082	0.7
123.04421	0.9
125.02341	0.6
127.03918	1.7
128.98555	0.7
134.99678	0.8
135.04449	0.9
137.05963	1.0
139.03841	0.6
143.00171	0.5
143.03430	0.7
143.99973	0.5
147.04387	2.6
151.03912	0.6
153.01825	12.2
153.02985	1.0
165.05453	0.6
166.05014	0.6
167.07066	1.9
171.02982	1.1
177.00661	0.5
177.05652	0.7
179.03394	0.7
187.03691	0.6
189.05531	1.0
190.30690	0.5
191.05858	0.5
201.00682	0.6
219.01753	1.0
226.98582	1.1
232.07887	0.6
237.02724	1.0
244.52939	0.6
247.04512	1.2
254.07364	2.2
263.00867	1.1
265.05576	1.1
272.11493	0.6
301.11780	2.1
313.24088	0.7
317.08429	6.5
319.04355	1.2
319.12921	1.5
349.08719	1.1
360.07898	0.6
377.01648	0.9
391.08682	1.0
409.09537	0.8
481.13141	100.0
482.13388	2.2
499.13153	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0976
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
52.23667	0.3
53.03948	0.5
55.01858	0.7
55.73303	0.3
56.96562	0.4
57.03424	0.6
61.02909	1.4
67.05503	0.6
68.99791	1.1
69.03429	3.8
71.04977	1.1
71.14165	0.5
71.14499	0.4
71.37865	0.3
73.02907	0.5
79.01856	0.4
79.05486	0.6
81.03402	1.7
81.07024	0.5
85.02900	9.2
86.09735	0.7
87.04443	0.9
89.16467	0.3
91.03958	0.6
91.05486	0.7
95.04962	0.5
95.08597	0.5
97.02900	2.7
97.06511	0.4
98.97594	1.0
99.04449	0.8
103.05399	0.4
107.04939	0.6
109.02863	2.1
111.00813	2.5
111.04465	0.6
116.98657	0.8
122.03626	0.4
123.04447	0.3
123.78542	0.3
125.02351	0.7
127.03896	3.3
128.98576	0.4
131.04900	0.7
133.06497	0.4
134.99608	0.6
135.04337	0.4
137.02330	3.0
137.05000	0.6
137.05968	7.6
137.06932	0.7
145.04948	1.1
146.99617	0.4
147.04398	0.7
149.05919	0.4
151.03818	0.4
153.01819	13.7
153.05440	0.5
154.02194	0.6
161.01247	0.4
161.05952	1.0
165.01823	3.6
166.02670	0.5
167.07076	0.8
172.53233	0.5
177.05446	0.5
179.03406	1.9
181.04871	0.8
183.02890	1.1
189.05475	1.2
194.05920	0.5
195.02931	0.9
203.03326	0.8
203.06470	0.7
207.02946	0.7
208.45378	0.3
215.06480	0.3
217.04959	3.3
221.06122	0.4
227.03520	0.4
229.05028	0.5
231.02884	0.8
232.03661	0.6
237.02682	0.5
237.09210	0.5
244.09430	0.6
245.04483	6.1
255.02972	0.5
263.05603	0.8
265.08588	0.7
266.08047	3.2
272.03491	0.5
273.03885	5.2
285.11102	0.5
287.13272	0.4
290.04187	1.0
297.11200	1.0
301.03522	1.6
301.06653	0.5
301.11896	0.7
303.04819	1.1
315.12265	0.8
318.10837	0.5
319.04468	100.0
320.04770	2.0
326.34198	0.4
400.16718	0.4
421.05588	0.9
421.13736	0.7
481.08160	1.2
481.16272	2.2
481.22748	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	0.6
55.43139	0.4
56.66167	0.5
61.02920	5.0
61.81448	0.5
66.93050	0.5
67.05502	0.7
68.99764	1.2
69.03412	1.5
69.05255	0.6
71.59846	0.7
73.02924	1.3
73.34708	0.5
81.03381	0.6
85.02892	4.8
89.61262	0.5
91.03936	2.6
91.05455	0.6
97.02900	3.0
105.06981	0.5
109.02852	1.1
111.00786	1.4
112.01611	0.5
121.02867	0.6
123.00775	0.8
123.04440	1.6
125.02294	0.6
127.03889	1.5
137.01338	0.9
137.02338	12.0
137.03378	1.1
137.05975	1.1
147.04396	0.9
149.02150	0.5
152.88000	0.6
153.01817	5.3
156.27048	0.5
162.93840	0.5
165.01822	1.3
169.01309	3.6
175.69151	0.5
179.03360	0.9
181.01279	1.2
183.02890	0.5
189.05495	1.3
199.03897	1.2
201.95049	0.6
203.03378	0.8
217.04965	3.2
222.62697	0.6
227.03427	1.1
229.04933	0.7
239.64119	0.8
245.04466	5.1
248.14601	1.2
248.64728	2.1
255.02893	1.1
273.03946	10.3
273.06671	0.4
290.04089	1.2
301.03415	8.8
303.05002	1.3
304.05548	0.6
305.05441	0.6
319.04462	100.0
320.04733	2.3
468.51016	0.6
481.09631	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0975
Annotation	6-Hydroxytricetin 5-glucoside
Peak:m/z	Relative Intensity
53.38643	0.1
55.01866	0.1
57.79662	0.1
60.04508	0.3
62.82222	0.1
65.03925	0.2
67.05484	0.2
68.99785	0.6
69.03417	0.2
71.60159	0.2
76.10599	0.1
81.03406	0.2
84.75318	0.1
85.02894	0.3
86.09705	0.5
87.05563	0.1
93.03403	0.2
95.04952	0.3
97.02867	0.4
100.15491	0.1
100.16145	0.1
109.02863	0.4
111.00792	1.1
115.03931	0.8
117.07039	0.1
119.04958	0.1
120.08099	2.7
121.02848	1.1
123.04427	0.3
127.03905	0.2
131.04863	0.2
135.04398	0.3
137.02336	3.8
137.03391	0.2
137.05969	0.3
145.06442	0.2
149.02306	0.3
153.01822	4.5
155.04883	0.2
161.05978	0.3
163.03905	0.6
165.01845	2.1
166.02658	0.2
173.06001	0.5
173.12868	0.7
177.05505	0.1
181.01146	0.1
183.02884	0.9
183.04417	0.3
187.03929	0.4
191.03476	0.1
195.02898	0.3
201.05452	2.0
201.12366	0.4
205.04991	0.2
211.03905	0.1
213.05547	0.2
215.03319	0.2
219.02940	0.2
219.06473	0.2
228.04187	0.3
229.04955	4.5
239.03537	0.2
245.04495	0.2
246.05362	0.1
247.06073	0.9
257.04453	3.2
258.05023	0.1
273.03903	0.2
274.04791	0.9
275.05374	0.3
281.11246	0.8
285.03918	1.4
287.05371	0.5
301.03455	0.2
303.04971	100.0
304.05298	2.1
319.04474	2.5
351.71414	0.1
449.09760	0.1
463.07745	0.1
481.09808	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	480.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.05508	1.9
55.78843	0.7
57.03435	6.8
57.07065	3.2
61.02924	1.3
67.05503	4.2
69.03428	1.7
69.07063	5.0
69.45969	3.5
69.46385	2.1
71.01354	0.9
71.04990	46.0
73.02918	3.1
75.04482	2.5
79.05489	8.8
81.07054	100.0
82.07380	1.4
83.04977	6.3
85.02901	67.2
87.04465	0.8
91.05489	0.8
93.07030	1.2
95.04962	1.0
95.08602	21.0
97.02886	4.4
99.04465	1.3
103.03922	0.9
109.02880	1.3
109.10168	1.5
111.04443	4.5
111.08176	0.7
115.03926	1.0
123.11724	1.4
127.00732	0.7
127.03954	3.1
129.05475	30.3
137.05965	2.2
137.13252	23.5
145.04959	2.1
146.08183	0.9
147.04532	0.9
147.06506	18.5
151.11115	0.9
153.01892	1.2
162.06778	0.9
163.06081	1.6
164.09161	5.3
165.07538	0.9
184.65378	0.8
212.18724	0.7
229.52759	0.7
255.08710	1.7
273.04083	1.0
273.09793	1.3
309.11777	1.4
339.04956	0.9
471.36481	0.9
481.11246	7.2
482.51917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.4
55.01869	2.5
55.05269	1.5
55.05513	23.1
56.96556	1.5
57.03428	10.2
57.07055	2.4
57.66967	1.2
65.03923	3.3
67.05500	63.5
69.03431	2.5
69.07058	27.1
69.26714	14.3
71.04985	5.9
78.27370	1.1
79.05488	44.9
81.03410	21.3
81.07049	100.0
83.04980	10.6
83.08614	16.0
85.02898	12.4
85.06548	6.0
91.04895	1.7
91.05473	41.5
93.07038	48.4
95.04964	18.4
95.08598	25.1
97.02862	2.3
97.06513	11.6
97.10160	2.8
99.08037	2.8
105.07023	31.5
107.04960	2.6
107.07869	1.6
107.08588	26.8
109.06511	7.0
109.10146	2.7
111.08065	7.3
113.06020	1.9
113.09628	2.4
115.05426	1.5
117.07010	9.7
119.07771	2.2
119.08569	22.2
121.06518	2.4
121.10126	23.3
123.08041	2.8
123.11697	14.6
125.09584	2.3
127.07519	1.5
129.07013	5.8
131.08563	11.3
133.06415	2.0
133.10112	11.5
135.11644	6.1
142.07768	1.6
145.10133	2.2
147.11673	36.5
149.09595	2.8
149.13239	21.8
157.10104	6.6
159.11652	8.6
165.12744	16.0
175.11206	6.1
177.12729	5.0
183.13797	3.1
193.12222	21.5
193.13852	1.9
195.13763	7.5
211.13283	22.6
229.14362	4.5
230.41092	1.2
232.69336	1.2
267.15881	20.1
269.09882	1.5
269.17496	3.1
285.10117	1.8
298.33664	1.4
369.24081	2.4
387.25293	2.1
413.48529	1.5
461.28885	5.4
479.30014	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96889	3.9
55.01868	4.2
57.03445	26.4
57.07090	4.1
59.04980	6.3
67.05495	12.0
69.03424	81.9
69.07068	46.2
70.28291	17.3
71.04991	25.9
72.34496	4.3
75.04482	9.8
78.99452	3.8
79.05511	7.6
81.03416	10.9
81.07059	27.4
85.02903	79.5
87.04461	57.4
91.05464	12.1
95.08607	8.4
97.02882	78.2
105.07039	7.9
109.10146	10.7
115.03921	98.6
123.11694	46.3
127.03934	7.9
129.05502	16.9
130.86679	3.8
133.04961	100.0
137.05971	33.8
138.06247	7.7
145.04967	8.4
147.06477	7.0
150.07658	5.3
151.07574	12.7
151.11160	48.9
152.07846	5.7
169.12178	5.6
195.10109	9.7
196.10637	5.4
247.13266	3.9
283.15359	6.4
297.11053	4.8
298.11539	7.6
309.34268	4.3
327.76227	4.0
462.28329	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	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.4
55.01857	6.1
55.05509	32.0
56.96556	3.6
57.03431	14.7
57.07074	1.6
61.02925	2.1
65.03931	3.6
67.05502	75.4
69.03413	4.6
69.07066	24.9
70.00566	7.8
71.04980	7.0
73.02893	1.8
74.17899	1.5
79.05491	62.7
81.03413	41.3
81.07053	100.0
83.04980	15.7
83.08619	27.7
85.02902	23.3
85.06528	4.7
91.05479	41.9
93.07039	62.4
95.04963	35.8
95.08602	27.4
96.56774	1.5
97.02886	3.6
97.06522	13.4
97.10164	7.0
99.08083	3.1
105.07024	30.8
107.04962	7.5
107.08598	30.7
109.06514	9.3
109.10147	6.0
111.04443	2.8
111.08076	12.5
113.05972	2.5
115.05473	2.2
117.07011	11.8
119.08564	22.1
121.06502	4.3
121.09315	1.8
121.10150	21.7
123.08016	5.2
123.11690	4.7
125.09615	3.8
128.06152	1.6
129.07027	9.3
131.08562	16.0
133.06482	1.8
133.10139	14.2
135.08049	2.6
135.11699	7.0
137.09619	2.3
139.11177	1.8
142.07748	2.8
145.10120	4.3
147.08029	2.8
147.11688	16.8
149.09599	6.0
149.13252	27.2
151.11111	1.7
155.08548	2.4
157.10060	9.5
159.11696	11.0
164.72952	1.5
165.12790	6.3
173.13403	1.9
175.11166	12.9
177.12773	4.6
189.11122	2.7
193.12231	37.0
193.13837	2.6
195.13814	10.0
211.13286	47.6
211.15273	3.1
219.13791	1.9
222.48572	1.5
229.14378	1.8
243.08893	1.8
267.09042	2.3
267.15939	10.1
269.10559	2.6
269.17511	5.5
285.10126	7.9
288.48785	1.8
316.11423	1.7
324.11569	2.3
343.22833	2.6
349.16943	2.4
351.23264	2.4
361.23679	2.0
367.18149	1.8
369.24289	2.9
387.25275	7.1
405.26270	1.9
454.99316	1.8
461.28912	8.6
479.30014	77.5
480.30615	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	479.1549
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
52.76546	0.3
53.03935	0.9
55.01863	0.6
57.03434	2.1
57.03660	0.3
58.04978	0.3
61.02933	2.2
66.77731	0.3
67.05508	2.7
68.64280	0.3
69.03426	5.6
69.07055	0.8
69.73190	1.5
69.73625	1.2
71.04976	1.4
73.02921	1.0
73.33999	0.3
73.43700	0.4
79.05488	2.0
81.03410	1.8
81.07045	1.0
83.01338	3.1
85.02907	14.4
87.04473	0.8
89.03913	2.3
91.03937	1.0
91.05459	0.9
93.07026	0.5
93.30679	0.4
95.04971	1.9
97.02880	4.9
97.06523	1.1
98.20754	0.4
99.04446	1.1
105.07040	0.6
107.04932	1.6
107.08559	0.8
109.02876	1.9
111.04448	1.3
117.03375	3.2
118.09338	0.4
119.08485	0.4
121.10172	0.5
123.04415	3.1
125.05980	0.5
127.03917	4.3
130.13329	0.4
135.04417	10.6
137.02322	0.4
137.05980	0.7
139.03864	1.0
145.02853	6.0
145.04912	2.3
147.04391	0.8
147.11691	0.4
151.07529	1.0
153.05411	1.1
159.04425	0.6
163.03902	48.8
164.04189	0.7
168.70500	0.4
177.05421	0.6
179.07010	1.5
181.04950	72.5
182.05315	0.7
187.03909	1.0
199.06003	10.8
205.04921	0.8
207.06511	4.3
281.07895	0.5
296.91003	0.4
299.09109	1.7
307.08057	0.4
317.06815	5.5
317.10162	100.0
318.10703	1.8
354.61008	0.4
359.11157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1552
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
53.03942	0.4
55.01862	0.6
57.03447	0.3
65.03944	0.5
67.05494	1.5
69.03413	1.2
69.07035	0.4
70.06605	0.5
71.04994	1.7
71.59416	0.6
72.45066	0.3
79.05474	1.4
80.37867	0.3
81.03410	0.9
81.07056	1.6
83.01324	1.8
83.04990	0.5
83.08576	0.3
85.02916	1.6
85.06527	0.5
85.88779	0.3
86.09689	0.7
89.03915	0.4
91.05467	1.9
93.07053	1.7
95.04983	0.8
95.08621	1.6
97.02890	0.9
97.06503	0.6
98.97514	0.4
99.04465	0.3
101.02336	0.3
105.07021	1.2
107.04943	4.5
107.08586	1.0
109.02878	0.4
109.06483	0.6
109.10140	0.5
111.04421	0.8
117.03370	0.9
117.06984	0.4
119.04972	0.4
119.08556	0.8
121.10130	1.0
123.04408	1.4
125.09620	0.4
127.03939	0.6
129.06984	0.5
131.08565	0.7
133.06490	0.4
133.10159	0.5
134.08748	0.3
134.99605	0.4
135.04411	2.8
135.11658	0.7
137.05981	3.3
138.03125	1.1
139.03966	0.3
143.08575	0.4
144.62695	0.3
145.02834	1.9
145.10155	0.7
147.04378	0.7
147.11687	0.5
149.13228	0.4
151.03896	1.2
151.07529	0.5
153.01822	7.6
153.02986	0.6
153.05449	0.8
156.85538	0.4
161.05966	0.7
161.13184	0.4
163.03900	14.0
165.06590	1.3
166.02614	1.5
167.06984	0.5
171.02859	0.5
171.07887	0.8
172.05096	0.6
172.08754	0.8
173.09486	0.5
181.04951	100.0
182.05266	2.0
184.03670	4.2
187.07399	2.4
189.09088	0.4
199.07497	1.6
216.07713	0.5
216.10081	0.8
229.05147	0.3
237.02789	0.4
243.08707	6.1
244.09555	22.8
245.10150	0.6
257.10318	0.5
271.09656	1.5
297.06070	0.5
299.09113	1.6
302.04239	0.5
303.05045	0.5
315.07220	0.4
317.06775	4.4
317.10159	74.1
318.10489	1.4
319.04272	0.4
361.27161	0.4
362.13223	0.4
378.15286	2.1
379.16113	8.8
389.26791	1.0
407.27872	0.4
425.28915	0.7
461.16150	0.4
463.04703	0.4
479.17203	1.0
479.32062	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1547
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
67.05492	0.9
69.03429	1.1
71.59087	0.5
71.59473	0.8
77.03938	0.6
79.05482	2.0
81.03410	1.1
81.07051	1.7
83.01327	0.6
85.02893	1.5
85.06539	0.5
89.03791	0.5
89.87066	0.4
91.05479	1.3
95.04962	2.1
97.02867	0.9
103.58842	0.5
107.04948	93.7
108.05280	0.8
109.02881	0.8
109.06501	1.3
119.04938	1.3
121.02876	1.4
123.04455	2.5
125.02342	1.0
127.03947	0.7
135.04401	2.9
137.02359	1.6
137.05968	53.3
138.03140	0.6
138.06337	0.6
143.03409	0.7
147.04402	2.9
148.04755	0.7
149.02338	0.6
149.05957	0.8
151.12683	0.5
153.01823	9.3
155.07007	2.6
163.03932	1.4
165.05637	0.9
166.02666	0.5
167.03384	2.4
167.07104	0.8
171.02925	1.2
177.05402	0.6
179.03415	1.3
181.04947	21.6
184.03639	1.6
195.06538	0.8
211.07616	0.7
215.07077	0.6
225.28218	0.5
227.07077	0.6
228.04216	1.0
239.07022	0.8
240.07835	1.9
243.06461	1.9
243.10159	44.1
244.10555	0.6
245.04329	0.8
255.06499	2.5
256.07291	10.6
261.07773	0.6
270.08929	3.6
271.06439	1.6
271.09622	49.0
272.09753	0.7
274.04697	2.4
283.06216	0.7
285.03937	0.6
297.05975	1.0
299.05853	0.8
299.09088	19.7
300.09586	0.7
301.03357	4.2
302.04187	15.5
317.06567	100.0
317.10248	61.7
318.06906	2.9
318.10617	1.3
421.97159	0.5
425.29358	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1548
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
53.26254	0.3
55.01868	0.5
57.03414	0.5
58.74012	0.4
65.03940	0.4
67.05497	1.9
68.31089	0.3
69.03412	0.7
69.54236	0.3
70.06589	0.4
70.95691	1.0
71.04984	1.2
79.05492	1.9
80.97009	0.4
81.03410	0.7
81.07050	1.7
83.01340	1.2
83.04976	0.7
85.02898	0.9
85.06528	0.7
86.09716	0.3
89.03911	0.8
91.05464	1.5
93.07059	1.5
95.04948	0.9
95.08603	1.4
97.02898	0.7
97.06545	0.6
105.07034	1.7
107.04961	4.2
107.08586	1.0
109.06491	0.5
111.04443	0.6
117.03382	0.8
117.06982	0.7
119.04905	0.4
119.08571	0.6
121.06532	0.4
121.10138	1.6
123.04446	1.1
123.08015	0.4
123.11643	0.4
125.05999	0.4
128.35930	0.4
131.08582	0.7
133.10100	0.7
134.21043	0.3
135.04431	2.9
135.09102	0.4
135.11664	0.7
137.05962	3.4
138.03123	1.4
141.05388	0.4
145.02872	2.0
145.10124	0.8
147.04413	0.6
147.11636	0.6
151.03889	0.8
153.01801	2.9
153.05479	0.8
160.66574	0.4
161.06035	0.5
163.03902	12.9
165.06671	0.5
165.09206	0.5
166.02632	1.5
170.07133	0.4
171.07997	0.7
171.11679	0.4
172.08664	0.7
173.09366	0.4
173.13211	0.4
175.14760	0.4
181.04947	100.0
182.05290	1.8
184.03670	3.5
187.07381	3.4
188.08064	0.4
189.09122	0.4
199.05814	0.5
199.07468	1.6
216.07668	0.8
216.10098	0.6
221.04593	0.4
243.08630	5.6
244.09541	21.5
256.07516	0.5
271.09650	1.6
297.06018	0.4
299.09225	1.6
317.06863	3.2
317.10159	74.5
318.10474	1.3
362.13287	0.5
378.15363	2.4
379.16092	8.2
389.26660	0.6
407.27713	0.5
425.28940	1.4
461.16324	0.4
479.17380	0.7
479.32016	1.4
487.93311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90564	0.6
53.03940	1.3
53.89896	0.7
55.01854	0.6
56.96547	1.7
58.13477	0.7
69.03426	3.8
69.65023	0.6
69.66742	4.7
71.04984	0.6
79.01865	3.2
81.03410	8.2
84.96039	0.8
85.02907	5.9
91.05454	1.1
95.04959	11.7
97.02884	5.2
98.20650	0.7
98.97604	3.1
99.04436	1.2
103.05438	0.9
107.04970	1.1
109.02872	4.6
115.03899	1.0
116.98611	3.1
119.04932	1.9
121.02888	1.0
121.06524	1.5
123.04421	72.3
125.02315	3.8
127.03897	5.4
131.00114	1.7
134.99640	2.6
137.05983	1.0
139.03905	0.9
141.05577	0.7
143.03413	5.7
145.04919	1.9
147.04407	8.2
149.01234	1.4
153.01822	100.0
154.02155	2.6
161.01213	1.2
163.02785	1.6
165.05469	32.4
171.02870	6.4
172.32182	0.7
173.01247	0.8
177.00699	2.1
179.03368	1.2
181.01309	1.9
191.02173	1.1
201.00661	1.1
207.06540	0.8
211.44304	0.7
219.01717	2.6
226.98613	1.0
237.02802	4.2
241.09831	1.2
244.99619	0.9
257.04459	7.8
287.00296	0.7
289.05963	1.4
297.06064	9.0
299.05472	1.0
307.06934	4.0
315.07019	3.2
317.06482	5.7
317.78262	0.6
331.07016	2.6
349.08218	3.1
353.07629	3.9
371.08563	1.2
377.07590	2.5
395.08569	4.2
419.08994	1.1
433.61533	0.7
461.15424	0.9
479.11615	8.1
479.17975	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	479.1546
Annotation	Myrciacitrin III
Peak:m/z	Relative Intensity
53.03928	0.7
55.01852	0.8
59.55263	0.3
67.05467	0.9
69.03413	0.8
70.85307	0.9
70.85683	0.5
71.04960	0.6
73.02899	0.4
79.05501	0.5
81.03398	1.1
81.07041	0.4
83.01318	1.7
83.04951	0.5
85.02917	2.3
86.09724	0.4
89.03876	0.7
95.04910	0.5
96.54507	0.4
97.02864	1.4
101.25325	0.3
107.04945	4.3
109.02895	0.6
111.04409	0.4
115.74025	0.4
117.03367	1.1
121.01973	0.3
121.02872	0.5
123.04395	1.1
125.05961	0.7
127.03922	0.6
131.86180	0.4
135.04401	2.1
137.02339	0.5
137.05948	0.7
138.03084	1.8
145.02867	2.0
147.04366	0.7
151.03876	0.6
153.01831	8.7
153.02937	0.4
153.05409	1.0
163.02525	0.9
163.03899	15.2
166.02589	2.0
171.02831	1.0
175.03981	0.4
175.15073	0.5
181.04951	100.0
182.05330	1.5
184.03699	4.0
195.10393	0.5
199.05995	0.8
216.93088	0.4
235.06091	0.5
261.07727	0.4
297.06183	0.7
299.05719	0.6
299.09119	1.1
302.04294	1.3
303.04996	0.9
317.06625	4.8
317.10147	59.8
318.10516	1.6
479.15518	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	479.1184
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.54042	0.3
53.03940	0.3
58.41989	0.2
61.02930	0.3
65.93137	0.2
69.03436	0.5
71.04974	0.5
71.59733	0.4
79.01867	0.3
79.05492	0.6
81.03416	0.5
81.07049	0.6
85.02909	1.6
85.06512	0.2
86.09728	0.2
91.05485	0.5
92.02618	0.2
93.07055	0.5
95.04967	0.7
95.08585	0.3
97.02901	0.4
97.12686	0.2
105.07032	0.3
107.04949	9.4
109.02869	0.4
110.03673	0.6
117.07024	0.2
119.04942	0.3
120.08091	0.4
121.02859	0.2
121.10201	0.3
123.04443	2.5
127.03908	0.5
131.08533	0.2
133.06480	0.3
135.04457	0.4
137.02388	1.0
137.05981	4.7
141.18633	0.2
147.04390	0.9
151.03856	0.3
153.01822	6.4
154.18301	0.2
155.07004	0.9
159.11702	0.3
161.13306	0.2
163.03909	0.5
163.07388	0.3
163.62012	0.2
165.05504	1.5
167.03526	0.2
181.04967	2.7
199.05994	0.4
200.04662	0.3
204.04153	0.3
221.10126	0.2
228.04121	1.5
229.04968	0.6
240.07774	0.2
243.06522	0.3
243.10170	3.3
245.04463	0.9
256.03720	0.5
256.07346	0.5
257.04471	1.0
257.07086	0.2
271.09634	4.5
273.03854	0.5
274.04694	3.0
285.03995	1.0
297.06015	0.8
299.09131	2.4
301.03433	7.1
302.04211	25.0
303.04715	0.9
306.60593	0.2
317.06561	100.0
318.07016	1.8
479.11722	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	479.1183
Annotation	6-Methoxykaempferol 3-galactoside
Peak:m/z	Relative Intensity
57.03432	0.9
61.02913	0.6
64.57472	0.5
69.03424	2.1
69.32349	5.0
69.32774	1.5
71.04955	0.9
77.11298	0.6
81.03410	1.3
83.01333	0.7
85.02904	5.3
97.02887	2.2
106.57994	0.6
109.02867	0.6
121.02836	0.7
123.04388	0.8
127.03932	1.2
137.02313	3.0
137.05975	0.8
153.01907	0.7
162.94446	0.5
163.03867	0.9
167.03369	3.4
179.03377	2.5
180.51720	0.6
181.04933	0.8
197.06075	0.8
215.07013	1.1
243.06480	3.3
265.15137	0.6
271.05975	2.0
299.05496	1.6
301.03540	0.8
302.04028	2.8
303.04993	2.1
309.41556	0.6
317.06555	100.0
318.06848	1.8
373.78873	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03957	0.2
55.01888	0.2
55.05489	0.2
56.96545	0.4
64.95915	0.2
65.03927	0.4
67.05496	0.2
68.76669	0.2
69.03415	0.4
71.60028	0.2
72.08154	0.2
73.02926	0.9
79.05481	0.2
81.03390	0.4
81.07016	0.2
83.01334	0.8
85.02887	0.8
86.09669	0.3
89.47363	0.2
91.05460	0.8
93.03428	0.3
93.07057	0.2
95.04954	0.7
95.08620	0.2
103.05476	0.2
105.07024	0.2
107.04934	1.0
109.02853	0.4
117.03216	0.2
119.04951	0.8
120.08066	0.2
121.02859	1.3
121.06503	0.3
122.52822	0.2
123.04410	0.6
125.02360	0.5
126.34666	0.2
127.03870	0.3
129.06998	0.2
131.04919	0.2
137.02341	3.0
137.03380	0.2
137.05957	1.3
140.04546	0.2
145.02853	0.2
145.06531	0.2
147.04416	2.0
148.04774	0.2
149.02347	0.4
149.05966	0.3
151.03888	0.8
151.07556	0.6
153.01811	0.6
153.07011	0.2
161.05975	1.0
161.09657	0.2
163.03922	0.7
163.07515	0.3
167.03394	4.9
169.06488	0.3
171.08047	0.2
173.05989	0.2
175.07570	0.3
177.05490	0.4
179.03395	3.0
180.04141	0.3
183.02850	0.2
187.07483	0.5
189.09062	0.4
195.10162	0.4
197.04445	0.6
197.05992	0.5
200.04655	0.5
201.05508	0.2
205.04950	0.2
207.08076	0.2
207.10078	0.2
208.03691	0.3
209.04366	0.3
215.07014	1.7
221.04500	0.2
229.05000	0.3
233.08144	0.3
234.33449	0.2
242.05922	0.2
243.06531	4.1
253.05057	0.2
260.06866	0.2
261.07666	0.7
265.08398	0.2
271.06030	2.5
273.03937	0.3
274.04758	0.3
283.06009	0.2
288.06329	1.1
289.07251	0.2
297.11234	0.3
299.05518	1.3
301.03427	0.9
301.07068	1.6
302.04218	3.7
303.04855	0.6
304.05341	0.5
305.05435	0.9
315.05133	0.3
316.05655	0.2
317.06549	100.0
318.06879	1.4
479.11923	4.9
479.18423	0.2
498.24472	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48516	5.6
57.18600	5.7
61.31451	6.7
71.58643	7.4
79.80907	6.4
94.93016	12.4
99.73109	7.9
136.93120	10.6
136.94020	87.4
148.94026	18.2
154.94194	16.7
160.34241	6.4
166.95099	39.4
172.95242	38.1
190.96234	20.8
196.95009	43.9
212.71931	6.6
214.96329	59.9
215.00165	9.0
226.96249	22.6
244.97366	8.6
248.89752	7.5
256.45157	6.4
256.97510	33.1
274.98450	13.4
298.98450	9.1
316.99438	44.4
335.00589	9.6
381.07889	100.0
419.03442	72.2
479.04669	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	479.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.2
55.01871	0.3
61.02911	0.2
61.16498	0.2
65.03930	0.3
68.99780	0.7
69.03417	0.4
70.02215	0.7
71.04977	0.2
73.02914	1.3
73.66941	0.1
74.79864	0.1
81.03387	0.5
81.07127	0.1
85.02904	1.8
93.03394	0.5
95.04944	0.6
97.02889	0.4
98.20850	0.2
99.04446	0.2
104.99220	0.1
109.02859	0.7
111.00780	1.1
111.04430	0.2
113.26881	0.1
121.02869	1.0
123.04391	0.3
127.03931	0.4
128.06218	0.2
131.04968	0.1
131.77617	0.2
135.04327	0.2
136.88235	0.2
137.02336	4.3
137.03381	0.3
137.05980	0.1
145.04936	0.2
145.06523	0.3
145.82072	0.2
149.02327	0.5
149.05994	0.2
153.01814	6.0
155.04866	0.2
159.04385	0.2
161.05962	0.6
163.03918	0.7
164.90564	0.2
165.01823	2.7
166.02605	0.3
167.07047	0.8
173.05984	0.7
177.05522	0.2
179.03412	0.3
183.02901	1.1
183.04410	0.4
183.08014	0.2
187.03934	0.3
191.03325	0.2
191.07103	0.2
195.02776	0.2
201.05479	2.3
205.04878	0.3
215.03403	0.3
219.06468	0.2
221.08180	0.2
228.04117	0.4
229.04961	5.7
233.07986	0.2
239.03435	0.2
245.04373	0.2
247.06038	0.9
256.22614	0.2
257.04425	3.3
274.04718	1.2
275.05484	0.2
283.09680	0.2
285.03979	1.6
300.09854	0.3
302.04184	1.5
303.04971	100.0
304.05307	1.7
317.06549	9.7
318.06885	0.2
364.62988	0.2
375.14618	0.3
418.28174	0.2
479.11316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.58238	0.8
55.05507	11.1
56.82199	0.9
57.03452	5.3
57.07069	1.0
60.44827	0.9
60.69807	0.8
62.06087	36.9
65.03954	1.5
65.93999	1.0
67.05502	31.4
69.07069	13.9
71.08637	1.2
79.05493	9.1
81.03390	1.0
81.07054	28.8
82.07374	1.0
83.08597	5.5
91.05463	6.6
93.07042	8.5
95.04980	1.4
95.08606	18.9
97.06560	1.6
97.10173	3.8
98.20721	2.2
98.98462	9.0
105.07028	5.1
107.08592	6.1
107.83990	1.0
109.10158	9.2
111.08092	1.1
113.57941	1.1
119.08591	3.8
121.09385	1.0
121.10152	5.5
123.11691	4.0
124.01646	2.0
125.09624	1.1
133.10133	3.5
135.11703	2.3
142.02675	1.0
147.11670	3.0
149.13254	2.1
151.14859	1.1
155.01007	5.1
163.14795	1.2
173.02153	1.0
186.63998	1.0
198.05217	1.5
216.06317	5.4
233.47229	0.9
245.22626	2.2
263.23657	5.6
306.27884	8.9
319.26691	1.4
337.27353	100.0
338.27692	3.3
350.22217	1.2
423.09232	1.0
460.27701	1.3
478.29205	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
53.03929	0.8
55.05510	11.5
57.03435	5.9
57.07056	1.7
59.77224	0.5
65.03933	0.9
67.05502	26.2
69.06721	0.8
69.07068	13.4
69.93134	2.5
71.04984	1.0
71.08614	0.6
79.05488	7.7
80.05804	1.1
81.07053	27.2
83.04967	0.8
83.08614	7.7
85.06544	0.9
91.05473	5.8
93.07047	7.8
94.07375	0.5
95.04976	0.7
95.08603	17.6
96.08931	0.9
97.06507	1.9
97.10159	3.4
98.06053	1.1
98.20800	0.9
98.98461	0.9
99.08066	0.7
105.07036	3.3
107.08589	4.5
109.10155	6.7
111.08063	0.8
119.08574	3.4
121.10126	3.0
123.11703	1.8
133.10097	3.2
135.11665	1.6
137.13263	0.6
147.11691	1.9
149.13251	0.8
149.68048	0.5
150.68466	0.5
161.13232	1.0
192.30927	0.5
197.48416	0.5
216.06189	0.5
263.23639	1.3
306.27869	4.0
327.30740	0.5
337.27344	100.0
338.27859	2.7
478.31354	0.8
479.29898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08001	4.6
53.03927	8.1
54.04280	4.1
55.01859	17.9
55.05506	49.9
56.05837	9.8
56.96554	4.4
57.03432	9.5
59.79675	4.8
60.12757	3.9
67.05165	6.1
67.05502	83.2
68.05824	10.7
69.03408	6.4
69.07050	16.8
70.07378	5.0
70.10023	22.4
71.04990	8.4
73.06570	3.8
78.41438	3.9
79.05489	74.6
80.05817	15.1
81.03411	45.8
81.07055	66.6
82.03754	7.6
82.07385	12.1
83.04989	19.6
83.08629	25.1
84.08952	7.2
85.02888	11.2
85.06541	6.9
91.05482	78.2
92.05825	19.2
93.07040	59.9
94.07377	16.4
95.04959	49.8
95.08591	35.7
96.05291	9.2
96.08925	6.5
96.12118	4.5
97.02866	4.8
97.06518	10.5
97.10174	27.4
98.10527	6.7
103.05446	5.2
105.04457	4.3
105.07030	56.0
106.07359	19.6
107.04941	33.6
107.08592	36.3
108.05295	12.4
108.08919	7.5
109.06505	13.5
109.10152	14.2
111.04404	5.7
111.08064	6.0
117.07001	13.4
118.07317	6.8
118.60493	4.6
119.08572	34.4
120.08893	15.5
121.06508	23.4
121.10110	26.6
122.06879	5.5
122.10448	9.3
123.04405	7.7
123.08096	7.3
123.11674	5.4
124.08379	5.7
125.09617	23.9
126.09965	7.7
127.03902	5.3
129.07033	21.2
130.07324	9.4
131.04916	11.0
131.08557	28.8
132.05339	5.8
132.08900	15.4
133.06450	15.1
133.10120	25.5
134.06853	6.3
134.10455	11.1
135.08096	9.5
137.09608	5.1
141.07063	7.5
142.07515	4.1
143.08516	11.1
144.08913	7.6
145.06480	15.6
145.10100	15.7
146.06798	8.6
146.10519	5.0
147.08055	10.2
147.11694	25.0
148.08286	6.4
148.11984	8.5
149.09616	18.2
150.09920	12.0
153.09113	7.7
155.08577	5.7
156.08897	4.4
157.10071	12.0
158.10481	12.5
159.08022	5.3
159.11736	7.1
160.12065	5.1
163.11148	11.8
169.10051	4.9
170.10545	4.8
171.11668	15.1
172.12054	6.5
173.09555	9.0
174.09874	4.5
174.35980	4.4
175.11221	9.2
176.11531	11.2
178.13190	4.5
181.08604	5.2
182.09055	6.5
182.10550	6.8
185.09557	4.4
185.13203	5.7
189.11180	13.5
193.12247	18.6
194.12611	19.5
195.11559	5.0
197.13217	9.5
199.11209	6.8
207.13808	13.3
211.13301	9.6
213.12718	4.6
214.13106	4.9
233.15276	5.7
234.15660	10.5
267.15869	13.5
268.16232	16.9
274.15070	10.7
281.17435	60.3
300.82382	5.0
313.14398	6.7
314.14590	20.4
315.14859	23.3
316.15219	23.4
340.23538	9.5
350.21951	24.2
358.24561	8.6
367.22598	9.1
368.22977	59.3
385.23514	7.8
386.24054	64.3
404.25055	18.3
432.28543	6.2
442.26559	23.4
460.27774	99.2
461.29254	4.6
478.28915	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	478.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43819	3.0
53.03931	9.7
55.01858	13.6
55.05506	32.7
56.96325	4.5
56.96563	51.2
57.03435	17.1
58.09990	3.5
61.02921	39.6
65.03953	4.6
65.09120	3.2
67.05169	5.4
67.05505	77.1
68.05826	11.7
69.03416	21.6
69.07076	29.6
69.82180	12.0
69.82590	8.0
71.04971	9.8
73.02917	17.6
79.05491	65.6
80.05817	15.4
81.03417	56.9
81.07052	69.1
82.03758	4.9
82.07368	14.1
83.04964	17.6
83.08618	21.2
84.08935	4.3
85.02905	36.8
85.06534	7.9
86.06848	3.4
91.03956	25.2
91.05472	61.5
92.05819	18.7
93.07041	54.3
94.07363	13.0
94.17352	3.5
95.04962	36.4
95.08613	22.0
96.05305	5.8
96.08923	4.1
97.02889	34.9
97.06512	10.2
97.10143	10.2
97.26942	3.3
98.21448	3.6
98.97571	6.3
99.04462	8.5
101.02353	4.5
103.91778	3.5
105.07025	49.4
106.07343	15.8
107.04934	9.5
107.08584	26.0
108.08917	11.5
109.02882	8.4
109.06532	9.1
109.10155	17.9
110.10451	6.9
111.04433	5.7
111.08059	9.6
116.98620	7.8
117.07000	8.6
119.08585	27.3
120.08920	7.2
121.06487	8.2
121.10146	14.0
123.07978	6.5
123.11704	6.9
125.09609	11.8
127.03894	10.4
128.98573	11.7
129.06992	11.5
131.08563	10.8
132.08897	3.2
133.10121	28.7
134.10445	10.5
135.11676	6.6
135.62325	3.0
136.01595	4.3
142.07742	3.8
143.08551	5.8
145.04941	6.1
145.10127	9.9
146.99606	10.1
147.03130	3.5
147.08000	4.3
147.11681	26.0
148.12039	10.9
149.01195	7.4
149.09549	3.8
149.13242	6.0
150.13593	4.9
151.11174	11.1
152.11507	6.1
157.10170	6.9
159.11676	4.6
161.01192	7.3
163.11153	5.7
164.11612	4.2
165.00702	4.3
165.52875	3.4
170.99692	5.2
171.03329	4.3
171.11703	6.1
172.11993	6.5
175.02817	5.0
175.11143	9.4
177.00717	4.6
181.12274	3.6
183.03210	3.8
185.04843	5.0
189.00714	9.9
189.04366	16.1
189.11162	5.6
190.13037	3.4
193.12195	21.9
194.12506	4.9
203.05911	9.5
208.14142	6.1
209.11806	5.8
211.13266	27.8
215.07646	7.5
217.07449	6.2
219.05127	4.4
223.06219	3.8
223.13321	4.3
227.12785	8.5
229.07498	4.9
239.09612	4.7
241.07635	4.2
243.08829	20.6
243.58994	3.9
249.07974	7.5
253.14355	15.4
254.14609	8.2
255.08968	8.5
267.09045	38.6
267.15799	6.8
268.16104	5.3
273.10107	7.5
278.08160	3.6
280.09116	4.9
283.08752	4.9
283.11887	10.7
283.14932	5.1
283.62018	5.9
285.10068	100.0
285.16879	18.6
286.10413	10.3
287.11554	4.1
291.19662	18.3
297.09955	4.8
301.09824	5.5
303.11063	5.1
308.11728	9.6
315.10977	4.8
321.04684	4.2
323.10672	7.2
324.11435	46.5
324.61475	11.1
329.14331	7.4
347.15289	37.1
348.15875	4.9
349.16541	8.5
364.14548	47.9
364.64661	7.0
365.16333	51.9
367.18057	8.2
368.23047	4.2
383.17264	4.4
386.24136	10.7
388.17905	6.3
397.18713	13.7
404.25101	5.4
460.27628	11.4
478.29080	50.7
478.70901	4.6
479.29962	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	478.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17334	0.3
55.05511	2.8
56.05851	0.4
56.96544	0.5
61.02916	2.4
63.71618	0.4
69.03422	0.5
71.04975	0.5
71.11961	0.5
71.12317	0.7
73.02890	0.8
83.08582	0.5
84.56564	0.2
85.02901	1.6
91.03947	1.4
95.73855	0.3
96.23279	0.3
97.02873	0.7
100.11203	0.3
119.08470	0.3
123.04331	0.4
127.03892	0.3
155.61865	0.3
163.78372	0.3
167.09802	0.3
174.10429	0.9
177.58836	0.6
183.10890	1.1
184.02794	0.7
184.11447	0.3
187.09874	0.7
192.11368	0.5
201.05412	0.4
201.12697	1.6
202.03912	0.6
205.62849	1.4
210.13097	1.1
210.50238	0.3
214.63278	3.8
215.13457	0.5
216.14139	0.4
219.13313	2.6
223.63818	4.1
224.13846	0.5
228.13837	12.0
228.63945	2.5
237.14343	30.0
237.64511	5.0
244.86229	0.4
245.14157	0.4
246.14883	100.0
246.65039	20.0
247.15181	0.7
248.65161	0.6
257.65616	0.7
264.13913	0.8
265.12305	0.7
266.66235	0.9
282.14932	0.9
283.13266	1.0
303.04892	0.5
309.10950	0.5
317.06537	0.3
355.17926	1.4
356.18164	0.3
373.19183	1.1
407.23337	0.6
420.11847	0.3
425.24271	0.5
477.33124	6.7
478.33398	13.2
491.29102	3.4
492.29233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03202	3.2
53.03932	9.2
55.01867	15.0
55.04746	3.5
55.05510	65.8
55.87000	3.3
57.03419	10.2
65.03938	4.8
67.05164	5.8
67.05502	77.2
69.03427	10.9
69.07073	16.1
70.84845	11.8
71.04975	10.1
79.05489	72.5
79.05947	3.3
79.20590	3.1
79.43184	3.5
80.85680	3.3
81.03411	42.2
81.07051	64.9
83.04977	16.4
83.08626	32.9
85.02918	3.4
85.06546	5.4
89.93464	3.7
91.05476	56.9
93.07034	41.8
95.04970	40.8
95.08593	33.4
97.06545	6.3
97.10168	50.1
97.77548	3.1
103.05492	5.7
105.07027	38.3
107.04942	43.4
107.08579	39.8
107.52505	3.4
109.06510	11.7
109.10170	14.2
111.08089	5.6
115.05492	5.1
117.07015	21.1
119.04946	4.3
119.08579	28.0
121.06519	45.3
121.10149	13.3
123.04449	5.0
123.08076	9.4
123.11779	4.7
125.09621	42.7
128.06219	4.5
129.07022	27.2
131.04865	7.6
131.08574	25.7
133.06499	13.9
133.10129	13.6
135.08057	13.9
135.11653	6.4
137.09636	5.0
141.06987	7.0
143.08551	11.0
145.06468	21.8
145.10117	14.6
147.04349	6.4
147.08008	16.4
147.11670	16.0
149.09599	13.6
151.07547	4.4
153.09090	9.6
155.08528	9.6
157.10172	15.9
159.08038	9.3
159.11685	9.4
161.05943	4.1
161.09586	7.8
161.13283	3.1
163.11118	6.5
165.12721	3.6
167.08681	3.3
169.10092	8.9
171.08105	6.8
171.11691	8.2
173.09660	8.4
175.11214	10.5
181.10095	6.1
185.09612	4.0
187.11154	7.6
187.14857	6.3
189.11214	23.8
189.12712	6.9
193.12228	33.0
195.11760	4.8
195.13742	3.8
197.09602	4.8
197.13326	6.6
199.11165	4.9
205.12227	4.4
211.11276	3.5
211.13274	8.4
213.12773	4.1
215.14352	10.6
217.12253	5.1
227.12691	27.4
233.15308	23.1
237.12817	5.1
241.14279	4.7
245.15451	7.2
249.14960	5.4
255.13727	4.4
267.15869	24.8
273.14807	14.8
275.16669	4.6
287.16437	6.1
339.23154	9.6
341.21030	6.8
349.21552	20.9
357.24323	22.8
367.22568	48.5
368.22830	4.4
375.25137	6.5
385.18787	5.3
385.23718	92.8
386.24179	6.6
403.24765	40.3
415.24713	4.2
433.25806	10.4
441.26422	9.7
459.27396	100.0
477.28598	67.8
478.28906	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	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	14.7
55.05261	5.4
55.05510	69.8
55.89917	3.6
57.03424	11.6
65.03915	6.8
67.05502	67.3
69.03425	10.5
69.07064	21.9
71.04986	7.0
79.05490	83.5
81.03418	50.9
81.07055	72.3
83.04960	15.2
83.08624	35.2
88.15130	3.6
88.83104	3.7
91.05479	54.0
93.07044	53.0
94.17241	3.5
95.04964	33.4
95.08586	30.2
97.06532	10.3
97.10172	50.8
105.07018	40.0
107.04942	46.6
107.08594	42.0
108.24368	3.8
109.06505	13.3
109.10165	18.2
111.04409	6.0
111.08077	7.9
115.05446	5.7
117.07043	25.4
119.08550	27.1
121.06516	46.4
121.10104	14.1
123.08076	10.1
125.09614	44.8
129.06998	26.5
131.04924	5.3
131.08562	31.8
133.06468	16.8
133.10104	13.2
134.28391	3.5
135.08032	15.1
135.11703	5.5
140.01343	3.5
141.06976	6.5
143.08598	12.6
143.10583	4.1
145.06500	20.2
145.10085	19.0
146.62529	4.2
147.08006	11.6
147.11679	13.1
148.10118	3.6
149.05983	4.4
149.09605	7.0
153.09087	7.6
155.08574	8.9
157.06445	5.5
157.10117	16.4
159.08026	6.1
159.11708	7.3
161.06001	5.2
163.11137	11.5
165.12677	4.6
166.58101	3.7
169.10088	4.0
171.07997	6.7
171.11708	9.6
173.09618	5.3
175.11137	12.1
177.12790	4.3
178.85201	3.8
181.09981	6.8
185.13225	4.4
187.11185	4.9
189.11209	34.4
189.12752	8.2
193.12260	32.0
195.11713	5.3
203.14224	4.0
211.13228	7.9
215.14331	11.0
225.12762	3.8
227.12628	29.8
231.13786	8.4
233.15349	24.2
235.13438	5.9
237.12709	5.4
242.12921	3.7
245.15315	5.5
249.14876	8.3
255.13814	5.7
267.15970	25.0
273.14825	13.9
287.16547	6.2
291.15842	4.3
339.23080	14.2
341.21036	10.3
349.21497	21.7
357.24237	16.7
367.22702	63.0
375.25146	5.1
385.23730	92.7
392.61792	3.8
399.99304	4.0
403.24802	37.9
403.59036	4.6
433.25858	15.3
441.26190	14.2
459.27414	100.0
477.28470	86.2
478.28592	5.4
481.65939	4.1
482.65997	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	477.1752
Annotation	Matteucinol 7-O-glucoside
Peak:m/z	Relative Intensity
56.29074	0.7
60.10290	0.7
70.26039	3.4
81.22078	0.8
83.01342	1.4
109.06525	1.3
119.51034	0.8
124.05196	1.7
128.18756	0.9
132.29001	0.9
139.03932	1.4
147.04349	2.5
152.04639	2.8
165.05449	1.1
167.03374	6.8
180.04144	5.4
195.06517	100.0
196.06808	1.3
198.05237	2.3
214.32559	0.8
238.74518	0.9
315.12228	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1755
Annotation	Matteucinol 7-O-glucoside
Peak:m/z	Relative Intensity
52.02887	0.1
55.01860	0.3
57.03400	0.2
63.14266	0.1
67.05450	0.1
69.03407	0.4
71.60218	0.1
71.60648	0.1
73.45982	0.1
79.05479	0.2
81.03413	0.2
81.07044	0.3
83.01348	0.9
83.04970	0.2
85.02897	0.7
91.05457	0.5
95.04942	0.2
95.08601	0.2
97.02881	0.2
107.04948	0.5
109.02877	0.2
109.06536	0.8
111.04427	0.2
119.04942	0.9
121.06510	0.4
123.04424	0.6
124.05194	1.3
125.05970	0.3
137.02298	0.2
137.05940	0.5
139.03894	1.4
139.07515	0.5
147.04404	3.1
149.06013	0.3
152.04660	1.4
155.07027	0.1
163.03877	0.2
165.05467	0.8
167.03400	8.4
167.07019	1.0
167.65179	0.1
179.03387	0.2
180.04160	6.0
195.06522	100.0
196.06830	1.1
198.05215	3.0
213.07558	0.5
213.23029	0.1
221.07904	0.1
273.11234	0.2
278.28821	0.2
287.05569	0.2
303.04947	0.8
315.12238	47.5
316.12552	0.8
382.97702	0.2
391.03052	0.2
430.81067	0.1
477.17560	7.7
478.17880	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1389
Annotation	5,7-Dihydroxy-4',6-dimethoxyisoflavone 7-O-beta-D-galactopyranoside
Peak:m/z	Relative Intensity
52.79024	0.2
57.03425	0.3
61.02642	0.4
61.02925	4.9
69.03416	0.8
69.56113	1.2
69.56544	0.4
73.02911	1.3
75.81616	0.2
79.03861	0.2
81.03403	0.5
83.01326	0.6
85.02900	3.6
91.03948	2.5
97.02882	1.8
102.94563	0.2
105.03414	0.2
107.04925	0.5
109.06453	0.3
121.02853	3.1
127.03896	0.7
127.66261	0.2
133.02869	0.3
133.75711	0.2
137.02254	0.3
137.05956	0.7
145.04907	0.7
147.04424	0.3
181.04938	3.8
182.07304	0.2
185.09607	0.4
193.04930	2.0
213.09085	0.6
241.08612	1.0
259.09476	0.3
269.08008	0.6
286.08453	1.1
287.09061	0.5
313.06967	0.7
315.08591	100.0
316.09024	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	477.1392
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
50.39618	1.6
53.03922	3.3
55.01855	5.6
55.05507	14.9
55.76041	1.5
57.03430	7.5
59.89102	1.4
65.03934	2.3
67.05182	1.4
67.05503	22.7
69.03409	3.7
69.07052	5.9
70.62993	2.7
70.63328	2.5
71.04984	23.5
72.08138	2.8
79.05488	22.7
81.03410	12.1
81.07056	20.2
83.04977	5.0
83.08612	13.1
85.02898	27.2
85.06560	2.0
89.60566	1.4
91.05487	23.9
93.07043	16.7
95.04958	12.5
95.08585	10.6
97.02916	2.3
97.06509	2.7
97.10165	12.2
103.05447	2.2
103.76069	1.5
105.07037	15.2
107.04962	11.4
107.08575	11.7
109.02832	2.7
109.06516	5.3
109.10143	6.4
111.04406	2.6
111.08043	1.6
117.07001	5.8
119.04913	7.5
119.08585	11.0
120.08104	1.7
121.02842	1.5
121.06490	7.1
121.10126	6.8
123.04429	6.4
123.08026	2.8
123.11689	2.0
125.09652	7.3
129.05460	4.1
129.06981	5.8
131.04938	4.0
131.08588	10.6
133.06445	5.2
133.10100	5.1
134.32965	1.8
135.08018	2.8
135.11594	1.8
137.05984	3.0
138.77052	1.7
143.08537	4.7
145.06454	4.3
145.10081	5.3
147.04396	28.9
147.08009	3.6
147.11688	7.4
149.05946	2.1
149.09593	6.1
151.03918	2.0
151.07558	2.2
151.11166	2.0
153.01784	2.1
153.09065	2.9
157.06436	2.2
157.10069	7.3
159.07962	2.2
161.05954	3.9
163.10971	1.4
165.05411	2.8
167.03423	9.9
167.07019	5.2
167.08472	2.6
169.08609	3.0
169.10121	2.4
171.11626	3.5
175.11206	5.8
177.05431	2.1
181.04967	8.8
183.11736	1.9
189.09070	1.9
189.11211	4.1
189.12784	2.7
193.12231	7.0
195.06493	3.8
195.11707	2.6
197.13266	2.6
199.11156	2.4
199.31371	1.9
201.12910	1.6
211.13240	4.1
215.06828	1.7
218.05336	1.5
227.12747	2.8
233.15341	5.5
243.06445	4.0
259.05981	2.1
260.06918	2.0
267.15985	4.5
271.05737	2.0
273.14905	3.3
273.17773	1.8
288.06171	3.3
299.05420	2.6
315.08530	8.5
315.12250	15.5
315.14990	1.7
316.05679	10.1
325.07339	1.8
327.43582	1.6
331.08102	100.0
339.23099	3.0
349.21521	4.4
357.24213	3.6
365.13889	1.9
367.22723	13.9
385.23703	23.7
403.24899	7.2
441.26578	3.6
459.27380	20.9
477.28592	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.70950	0.8
57.03466	0.7
62.02890	0.7
62.70570	0.6
65.03931	0.9
65.32500	0.7
69.03424	1.9
71.59241	0.9
71.59605	0.9
79.01868	0.9
81.03402	1.2
84.04493	1.3
85.02899	2.7
86.09698	0.9
87.33188	0.9
91.05461	3.5
97.02888	2.4
99.04425	0.8
107.04929	1.2
109.02875	1.5
119.04906	5.0
123.04403	1.2
125.02326	1.4
127.03905	1.9
131.04987	0.8
147.04410	19.5
147.07707	0.8
148.04689	1.2
153.01811	9.8
153.02960	0.8
162.48946	0.8
163.03931	2.0
165.05511	1.2
171.02863	1.1
171.06363	1.9
178.33157	0.7
185.04253	1.4
203.07552	1.4
207.07938	1.4
215.14052	0.8
215.18816	0.9
230.03757	0.8
235.07446	1.0
252.10309	2.0
261.03998	1.2
267.08459	1.4
273.04117	0.8
285.09357	1.9
287.07431	1.4
287.10696	1.4
329.08334	8.9
329.11523	0.9
330.14719	1.2
347.09326	8.7
353.15689	1.7
368.11243	0.9
369.15076	5.2
371.13251	1.2
415.15695	12.1
417.13925	1.4
431.15225	14.1
459.14801	7.0
477.15787	100.0
478.16077	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1393
Annotation	Kaempferol 7,4'-dimethyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03938	0.3
55.01865	0.5
55.05507	1.2
57.03422	0.8
61.02920	1.0
67.05492	1.1
69.03425	2.7
69.07043	0.4
70.66415	0.9
71.04999	0.3
73.02919	0.4
74.36696	0.2
77.45304	0.2
79.05494	1.5
81.03416	1.9
81.07038	0.9
81.56546	0.2
83.01334	0.7
83.04989	0.4
85.02902	7.5
91.03940	0.3
91.05464	1.0
93.07030	0.7
95.04966	0.6
95.08599	0.7
97.02887	2.5
97.10152	0.5
99.04413	0.4
103.05517	0.3
105.03387	0.3
105.07009	0.8
107.04927	1.1
107.08633	0.3
109.02878	0.4
109.06523	0.6
109.10139	0.5
110.17282	0.2
111.04482	0.3
117.07022	0.2
119.08530	0.3
121.02863	2.9
121.06484	0.7
121.10128	0.3
125.09639	0.6
127.03905	1.1
129.07037	0.5
131.04926	0.8
131.08524	0.5
137.02415	0.2
137.05962	0.7
142.94800	0.2
145.04974	1.1
145.10075	0.3
147.04401	0.6
147.07962	0.3
157.10117	0.6
181.04951	4.2
189.09291	0.2
189.11095	0.3
191.79636	0.2
193.04956	2.1
193.12122	0.4
213.09076	0.5
220.87697	0.3
227.12756	0.4
233.15297	0.5
241.08531	1.2
259.09601	0.3
267.15860	0.3
269.08063	0.7
273.14734	0.5
286.08310	1.4
287.09262	0.4
300.06183	0.5
301.06998	0.3
313.07068	1.2
315.08603	100.0
316.08856	1.2
357.66861	0.3
366.53363	0.3
367.22714	0.8
385.23840	1.7
403.24731	0.4
416.03433	0.2
459.27405	1.8
460.95056	0.2
477.28699	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01871	4.5
55.51744	1.2
56.96553	1.8
57.03426	5.7
65.03928	3.8
67.05492	4.9
68.99798	3.3
69.03434	3.1
69.23072	1.3
70.06592	7.2
70.06902	3.7
70.60925	1.2
71.04967	1.4
73.02917	1.8
75.05596	4.1
79.05487	4.1
81.03420	6.9
83.01347	2.1
83.04976	2.6
84.08132	3.3
85.02420	1.9
85.02905	27.6
86.09698	2.1
89.07153	3.1
91.05463	7.7
93.03410	13.1
95.01334	1.5
95.04967	12.3
97.02898	6.0
98.97578	1.6
103.03909	3.2
103.05441	2.4
105.03388	5.6
105.07043	2.9
107.01303	2.2
107.04957	5.3
109.02869	8.4
109.06493	1.5
111.00771	3.3
111.03703	1.7
111.04443	5.4
119.04937	8.9
121.02861	10.7
121.06508	3.3
123.04417	8.4
123.05197	1.4
125.02350	2.5
127.03908	2.6
131.04919	3.7
133.06442	2.4
135.00810	2.1
135.04402	5.3
137.05972	6.1
139.03909	3.9
141.01834	1.7
145.02818	2.4
147.04381	15.4
149.02321	2.5
149.05997	2.2
151.03900	4.2
151.07457	1.4
153.01823	9.3
155.04823	1.6
159.04411	3.6
161.05957	3.9
163.03894	10.7
165.01834	2.9
165.05516	2.3
169.04936	1.8
171.02876	2.0
173.02306	7.2
175.00287	4.7
175.03940	2.5
177.01857	4.7
177.05470	4.6
179.03378	2.2
187.03914	6.9
189.01805	11.1
189.05392	2.2
191.03392	22.7
193.01384	2.9
195.02896	18.8
199.03868	2.1
201.05409	2.8
203.03647	1.5
205.04964	3.3
207.02895	26.6
209.04460	4.9
215.03391	3.8
217.04944	2.1
219.02887	81.6
221.04434	1.8
223.02309	5.9
225.01953	2.0
225.03963	26.7
229.04919	5.4
233.04449	14.9
237.03941	100.0
243.02776	3.1
245.04477	5.2
247.06027	4.1
249.03920	5.9
251.05450	1.8
257.04498	2.7
261.03940	80.5
273.03925	19.7
275.05371	1.8
285.03955	9.4
287.05405	1.8
291.04971	20.9
303.04984	27.1
309.07568	6.1
315.08383	2.7
321.06042	20.8
325.07205	1.6
327.08731	13.1
339.08026	41.0
357.09821	7.6
363.08557	3.5
381.09732	8.7
393.09741	13.6
405.09259	1.8
423.10568	3.9
441.11435	2.2
443.22845	1.7
477.12088	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1028
Annotation	Quercetin 3-(3''-acetyl-alpha-L-arabinofuranoside)
Peak:m/z	Relative Intensity
55.01853	0.5
55.05517	0.9
57.03401	0.2
65.03934	0.4
67.01838	0.2
67.05475	0.7
68.99786	1.1
69.03391	0.5
69.07048	0.3
70.06541	0.2
71.00631	0.3
71.00992	0.3
71.04964	0.5
79.05451	0.6
81.03393	0.6
81.07053	0.5
83.04940	0.2
83.08586	0.6
84.08112	0.2
85.02893	0.5
87.08074	0.2
91.05447	0.5
93.03377	0.4
93.07043	0.3
95.04942	0.8
95.08593	0.3
96.65117	0.1
97.02859	0.6
97.06564	0.2
97.10122	0.2
100.11224	0.7
101.02335	0.2
103.05434	0.2
105.06996	0.5
107.04931	0.6
107.08585	0.4
109.02860	0.7
111.00817	1.3
111.04412	0.4
115.03913	0.7
115.05443	0.2
116.98592	0.2
119.04906	0.2
119.08578	0.2
120.95876	0.2
121.02846	2.0
121.06477	0.3
123.04394	0.6
125.09632	0.2
127.03880	0.4
129.05452	0.3
129.06947	0.2
131.04877	0.3
133.02818	0.2
133.06476	0.2
135.04398	0.4
135.08029	0.2
137.02338	5.6
137.03397	0.4
137.05937	0.6
139.03889	0.3
145.02747	0.2
145.06493	0.4
145.10048	0.2
147.04391	0.4
149.02292	0.7
151.03946	0.2
151.07536	0.2
153.01816	6.3
155.04901	0.4
159.04382	0.2
161.05981	0.7
163.03940	1.3
165.01822	2.9
166.02579	0.3
167.03294	0.2
173.05956	0.8
177.05379	0.2
179.03392	0.2
182.15321	0.4
183.02867	1.1
183.04428	0.4
187.03903	0.8
191.03369	0.4
195.02872	0.5
195.06516	1.1
201.05460	2.6
205.04935	0.5
207.02913	0.3
210.14859	0.3
211.04005	0.3
219.06413	0.5
228.04274	0.4
229.04953	7.0
229.07259	0.4
246.05272	0.2
247.05899	1.1
257.04431	4.2
274.04721	1.0
275.05368	0.5
285.03976	2.1
299.05667	0.2
303.04977	100.0
304.05328	2.2
315.08551	0.5
315.12207	0.5
317.06561	0.8
367.22748	0.4
385.23608	0.3
403.24820	0.3
459.27386	0.3
476.82013	0.4
477.10248	8.4
477.22311	0.8
477.28860	0.3
478.10883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.4
55.05514	14.3
57.03436	4.5
57.07063	1.8
62.06090	37.2
62.64357	1.3
65.03940	2.0
67.05166	2.7
67.05505	40.6
68.05829	1.7
69.03432	2.4
69.07067	12.4
69.52350	3.5
69.52773	8.2
71.05002	2.2
79.05496	29.5
80.05846	2.1
81.03416	4.8
81.07057	31.6
82.07405	1.8
83.04971	3.5
83.08624	6.3
85.06548	2.0
89.37833	1.3
91.05483	17.6
93.07042	30.0
94.07381	2.2
95.04954	6.6
95.08601	26.6
96.08936	1.5
97.06541	2.8
97.10158	1.7
98.98480	12.5
105.07016	13.5
107.08607	13.8
109.06512	2.2
109.10148	8.3
111.08084	2.1
117.07017	4.4
119.08591	10.2
121.06512	2.8
121.10119	8.9
123.11728	2.6
124.01592	1.6
129.07069	1.9
131.08559	4.6
133.06490	1.9
133.10132	6.1
135.11676	5.6
145.10139	3.3
147.11703	4.6
149.13263	4.0
153.12697	1.4
155.01038	5.0
159.11679	2.8
160.51584	1.4
161.13287	3.5
163.11188	1.8
163.14897	1.5
173.02151	2.0
173.13312	2.3
182.41957	1.5
195.78969	1.5
198.05222	1.5
216.06345	5.4
232.14626	3.4
261.22134	6.5
304.26276	10.1
317.24945	2.1
335.25790	100.0
382.69785	1.5
402.23901	1.7
415.22400	1.8
458.26691	8.0
476.27466	5.8
476.32135	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28988	0.5
56.96565	0.8
57.03434	1.3
59.06124	0.9
69.03419	2.2
70.06559	0.6
71.59029	0.6
71.59420	0.9
72.08126	0.7
73.02898	1.7
75.05590	1.9
85.02908	2.6
86.03228	0.7
86.09694	0.7
91.05462	1.1
91.55984	0.6
97.02870	1.7
98.03247	0.6
98.97565	0.6
109.02881	1.0
111.90203	0.6
115.03915	1.7
117.07163	0.5
119.04942	2.5
127.03935	1.0
136.26320	0.6
137.05994	2.2
143.03448	0.8
147.04405	6.1
148.04759	2.3
153.01828	7.3
162.02888	1.8
163.03894	1.3
165.05453	2.3
166.05849	1.4
204.40643	0.5
233.04524	0.7
237.03087	0.7
261.04074	0.7
337.05286	1.5
339.25281	0.5
477.10019	100.0
478.10284	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	476.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07325	0.5
57.03430	9.0
61.02909	2.4
65.60001	0.6
69.03075	1.1
69.03429	19.6
70.61097	2.3
72.08186	0.8
73.02917	14.6
75.04494	0.7
77.33997	0.6
81.03409	1.6
85.02903	17.8
86.09735	0.8
87.04465	10.7
91.05458	4.9
91.31452	0.6
94.13977	0.6
95.04992	0.7
97.02277	1.2
97.02886	19.7
98.97557	0.7
109.02834	1.0
115.03927	24.4
115.04740	1.2
119.04938	15.0
123.04426	2.0
127.03938	3.8
132.06569	0.7
133.04955	18.8
133.06482	0.8
136.71545	0.6
141.29147	0.7
143.03389	0.8
143.04947	0.8
145.04977	3.9
147.04404	100.0
148.04701	1.1
150.07587	4.5
153.01819	4.0
161.05984	0.8
163.03902	0.6
163.06055	1.2
165.05466	49.8
166.05740	0.6
171.04442	2.0
189.05493	4.2
193.04961	0.7
207.06544	4.9
211.06149	0.9
223.06001	1.3
228.55949	0.7
241.07065	1.0
243.06584	1.8
247.60829	0.6
259.08075	1.1
279.08582	4.7
295.10303	0.9
477.10068	3.9
492.18323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76489	1.3
55.05500	1.8
57.03420	4.5
68.99784	1.6
70.25302	7.1
71.04991	31.1
83.04978	1.7
85.02893	35.2
97.34208	1.5
105.07024	4.0
107.04937	2.5
111.04398	2.0
119.04913	1.8
121.02867	29.7
121.06493	1.6
129.05464	6.8
133.06500	5.6
146.08171	1.8
148.07565	13.5
150.09138	7.0
153.01816	10.4
163.03882	10.0
165.01811	1.8
168.53114	1.4
170.51160	1.4
176.07060	17.6
178.08624	3.5
184.30086	1.5
191.03279	2.0
193.05014	2.0
195.06569	3.3
205.04976	1.9
211.07530	2.6
219.02902	2.8
229.08702	1.7
239.07005	2.6
256.07486	2.9
257.08044	11.5
267.06470	17.3
271.06006	2.1
285.07526	2.4
287.05438	16.1
295.06009	40.7
295.09360	2.2
296.06891	2.5
298.04846	3.3
312.08618	16.6
313.03436	11.6
313.06976	100.0
314.07303	2.9
315.08728	3.4
330.06628	3.9
330.09726	73.4
331.10086	2.6
431.45197	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	1.3
51.02359	2.1
52.21768	1.1
53.03941	7.7
55.01851	3.9
55.05508	22.7
55.67894	1.4
56.49830	1.2
57.03435	7.3
57.07056	3.5
59.04996	1.4
61.02896	1.2
64.26660	1.2
65.03915	3.4
67.05500	93.1
69.03407	2.9
69.06722	2.0
69.07065	26.7
71.04965	4.8
73.02884	1.9
73.06561	1.7
79.05486	97.2
81.03413	11.6
81.07048	100.0
83.04971	19.3
83.08611	18.2
85.06532	6.1
86.73709	1.2
91.05472	73.2
93.07037	95.8
95.04959	28.7
95.08597	38.6
97.02876	1.4
97.06527	12.3
97.10135	4.5
99.08075	3.0
103.05479	2.6
103.83106	1.4
105.04517	3.2
105.07018	44.5
107.04948	7.3
107.08585	43.2
109.06521	9.1
109.10120	7.2
111.08055	4.6
115.05405	2.4
117.06998	15.4
119.08569	23.9
121.06484	5.6
121.10110	18.0
121.89890	1.3
123.08047	5.8
123.11705	2.0
125.05991	1.6
127.07507	2.3
128.06187	4.1
129.06982	17.1
131.08539	8.5
133.10121	17.4
135.08040	2.8
135.11694	9.7
139.11188	1.3
143.08577	7.5
145.10109	9.1
147.07999	3.9
147.11671	33.1
149.09628	2.5
149.13245	23.5
157.10103	1.8
159.11668	12.6
159.69412	1.3
161.09644	3.3
161.13263	11.4
163.11177	1.9
169.10118	1.3
171.11691	32.2
177.12686	4.8
179.14288	2.2
189.12737	15.0
195.13802	6.1
200.17500	1.2
207.13791	31.9
207.15710	2.1
213.14903	1.3
225.14839	5.7
266.50919	1.3
269.17361	1.5
271.13519	1.2
281.17505	2.2
348.40134	1.4
364.14545	2.1
365.16437	2.2
365.24869	1.6
457.28986	2.0
475.30914	66.3
476.31607	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	475.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.0
55.01861	4.9
55.05503	31.0
55.87895	2.7
57.03425	21.9
57.07075	7.1
60.12000	2.8
65.03944	3.1
67.05502	77.9
68.90572	2.6
69.07064	31.5
71.04991	6.6
71.59705	5.4
79.05490	84.7
81.03419	13.1
81.07053	88.7
81.62496	3.4
83.02512	2.9
83.04978	15.6
83.08627	19.2
83.43648	2.8
90.69852	3.0
91.05477	56.8
91.06010	5.1
93.07038	84.7
95.04961	22.8
95.08601	44.8
97.02880	4.4
97.06534	11.3
97.10178	5.9
98.98449	24.6
105.07030	32.6
107.04948	7.0
107.08590	35.5
109.06512	4.4
109.10149	10.3
111.08070	6.8
117.07014	15.3
119.08560	16.4
121.06491	4.2
121.10117	19.5
123.08015	5.7
129.06998	15.2
131.08542	11.8
133.10143	18.9
135.11710	10.3
136.99976	21.8
143.08577	8.0
145.10126	8.2
147.11670	28.7
149.13237	24.0
155.01036	22.5
159.11664	8.2
161.09737	3.7
161.13268	12.6
171.11694	21.4
177.12723	5.3
189.12769	6.8
193.02679	3.8
195.13800	8.0
207.13792	27.2
209.32414	3.1
211.03740	7.3
211.23439	3.0
225.14954	3.0
251.43959	2.7
287.82443	2.8
339.14514	3.0
339.28867	15.5
352.14066	3.1
415.40082	3.3
475.31760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.7
51.24042	1.2
53.03951	9.6
55.01862	4.0
55.05511	26.2
57.03441	5.3
57.07070	2.9
59.19221	1.0
60.29436	1.1
63.30812	1.3
65.03951	5.4
67.05502	93.8
68.05856	1.3
69.06713	2.0
69.07065	25.9
71.04988	5.8
72.42345	1.3
73.06540	1.7
73.39236	1.1
77.03938	1.8
79.05490	100.0
80.90705	1.1
81.03412	14.2
81.07055	98.1
83.04989	15.4
83.08616	18.9
85.06553	5.3
88.88245	1.1
91.05477	69.1
93.07038	88.4
95.04969	30.2
95.08603	36.0
97.06516	10.7
97.10159	3.3
98.21498	2.5
99.08089	2.5
101.06001	1.6
103.05489	1.5
105.04504	2.8
105.07026	37.8
107.04946	8.2
107.08590	41.6
109.06505	7.9
109.10158	5.8
111.08104	5.6
111.08884	1.0
115.05445	2.7
117.07011	13.0
119.08575	21.8
121.06522	3.3
121.10150	16.5
123.08082	5.5
123.11730	2.5
127.07587	2.2
128.06200	2.3
129.07008	15.8
131.08545	12.8
133.10133	17.3
135.08076	1.3
135.11702	10.0
139.11168	1.2
141.07072	1.4
143.08568	8.5
145.10106	9.4
145.33513	1.2
147.08014	3.4
147.11682	31.6
149.09595	1.7
149.13257	24.0
149.14352	1.7
151.11145	2.2
151.79019	1.1
159.11665	9.2
161.09662	3.8
161.13231	12.9
165.09058	1.4
171.11690	27.6
177.12740	5.2
189.12759	12.7
193.12415	1.3
195.13802	9.8
202.50632	1.2
207.13799	33.4
213.14745	1.3
217.80945	1.0
225.14899	4.5
269.17709	1.7
281.17609	2.5
460.75183	1.1
475.30582	79.4
476.31091	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.8
53.03935	7.8
54.20481	1.0
55.01867	3.9
55.05258	1.7
55.05507	26.5
57.03437	8.6
57.07063	3.5
59.18696	1.0
59.87031	1.0
65.03918	4.9
66.20689	0.9
67.05499	91.5
69.03413	2.3
69.06719	1.5
69.07065	24.8
69.38848	7.9
69.39256	2.3
71.01329	1.1
71.04969	4.9
73.02888	1.6
77.03892	2.1
79.05486	97.7
80.05801	1.6
81.03423	10.6
81.07051	98.2
83.04982	15.1
83.08617	17.1
85.06531	4.8
91.05473	67.5
93.07036	100.0
95.04963	29.8
95.08598	39.1
97.06525	10.8
97.10163	4.4
99.08077	3.1
103.05458	1.2
105.04494	1.8
105.07022	39.8
107.04945	7.7
107.08582	42.0
109.06516	9.7
109.10132	6.4
111.08069	6.9
115.05392	1.1
117.07001	15.8
119.08569	23.2
121.06478	4.6
121.10136	18.5
123.08083	6.2
123.11638	1.5
127.07554	1.3
128.06169	3.6
129.06995	16.4
131.08565	10.7
133.06502	2.1
133.10107	15.4
135.08139	1.5
135.11667	7.7
143.08539	7.0
145.10112	9.1
147.08067	2.8
147.11684	31.6
149.09743	1.0
149.13240	26.6
151.11101	1.5
156.09309	1.1
157.10060	1.3
159.11655	11.0
161.09573	3.0
161.13243	10.0
163.11124	1.2
171.11697	28.8
177.12733	4.7
179.14325	1.3
183.57231	1.1
189.12715	12.9
195.12212	1.2
195.13737	7.1
207.13789	32.5
225.14853	6.3
244.15321	1.1
263.16226	1.2
269.17429	1.5
442.05154	1.2
457.29236	2.0
475.30518	74.2
476.30869	2.5
501.76654	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	1.7
53.03943	8.5
54.26685	1.4
55.01862	3.0
55.05259	2.0
55.05508	28.8
56.40426	1.2
57.03438	7.2
57.07056	5.2
59.04981	1.3
59.18399	1.1
65.03916	4.2
67.05502	90.1
67.09693	1.1
69.07064	22.5
70.15813	1.2
70.29640	1.4
71.04980	5.0
73.06531	2.9
79.05490	88.4
81.03403	9.6
81.07053	88.0
83.04981	16.0
83.08616	11.8
85.06554	3.0
90.05186	1.5
91.05477	65.1
93.07038	100.0
95.04965	25.9
95.08604	42.2
97.06526	12.3
97.10148	2.8
98.20717	3.8
99.08078	3.3
103.05452	1.5
105.04482	1.5
105.07025	41.2
107.04951	6.3
107.07854	2.6
107.08583	39.9
109.06512	9.4
109.10171	7.7
111.08064	6.1
111.82307	1.3
113.06016	1.4
113.41782	1.4
117.06999	12.0
119.08578	22.2
121.06485	3.1
121.10146	16.8
123.08082	4.5
123.11678	2.3
127.07578	1.6
128.06201	2.8
129.06987	14.1
131.08568	10.5
133.10120	14.8
135.08044	2.6
135.11687	7.7
140.62064	1.2
143.08580	8.1
144.35562	1.7
145.10115	8.7
147.08018	2.4
147.11670	32.6
149.13251	26.7
159.11710	10.2
161.09637	3.1
161.13229	12.9
163.11217	1.8
171.11679	26.3
177.12738	4.5
179.14211	2.5
189.12715	11.3
195.13759	8.1
207.13792	32.1
213.14865	2.0
214.84111	1.4
225.14882	2.7
229.61415	1.7
233.30498	1.5
251.16333	2.6
269.17480	2.4
443.30386	1.7
457.29132	3.0
475.30545	76.3
476.30734	3.0
504.00851	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.7
53.03944	12.2
55.01864	5.0
55.05260	1.6
55.05513	30.2
56.89589	1.6
57.03437	7.3
57.07066	2.1
65.03949	7.4
67.05505	93.4
67.61787	1.1
69.03433	1.8
69.06719	1.6
69.07071	23.7
70.73262	1.1
70.83838	1.1
71.04992	3.5
72.86392	1.1
77.29071	1.0
79.05495	97.5
81.03421	10.7
81.07056	97.5
83.04985	17.5
83.08622	15.8
85.06549	4.9
91.05481	66.2
93.07045	100.0
95.04968	25.6
95.08604	35.2
97.02892	1.2
97.06519	12.1
97.10165	3.1
98.69973	1.1
99.04446	1.2
99.08104	2.7
105.04524	2.3
105.07030	42.0
107.04942	6.4
107.08595	32.2
109.06503	6.9
109.10144	5.5
111.08095	8.1
115.05479	2.8
117.07013	13.2
119.08586	24.0
121.06491	5.2
121.10129	16.5
123.08073	7.0
123.11728	2.4
125.06030	1.3
127.07523	1.8
128.06209	2.5
129.07010	14.1
131.08574	9.1
133.10127	14.9
135.08047	2.0
135.11696	7.8
141.06981	1.3
143.08562	8.1
145.10101	11.5
147.08023	2.6
147.11687	30.4
149.13264	25.5
151.11205	2.0
156.09418	1.5
159.11671	10.2
161.09618	3.3
161.13263	11.7
163.11131	1.2
171.11687	22.9
177.12744	7.4
179.14340	1.3
182.50327	1.3
189.12721	10.7
195.13792	8.5
207.13808	30.9
225.14928	3.7
266.65744	1.2
281.17468	1.9
355.26227	1.3
460.03073	1.3
475.30560	76.7
476.31259	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.7
53.21200	1.0
55.01871	3.9
55.05506	22.7
57.03421	4.9
57.07074	2.1
62.73194	1.1
64.99220	1.0
65.03939	5.2
65.08799	1.1
67.05499	91.5
69.03450	1.0
69.07063	23.9
69.32272	11.4
71.04989	4.9
73.06548	2.1
77.03921	2.5
79.05489	95.5
81.03410	10.0
81.07051	100.0
83.04977	16.1
83.08610	14.7
85.06526	3.7
91.05476	64.5
92.05784	1.0
93.07037	92.1
95.04961	29.8
95.08598	33.8
97.02857	1.5
97.06525	11.1
97.10174	4.1
99.08080	2.7
101.06063	1.4
101.38286	1.3
103.05498	2.0
105.04515	2.7
105.07021	40.9
107.04918	5.2
107.08588	37.3
109.06500	8.5
109.10149	5.3
111.08078	7.5
113.06003	1.2
115.05470	1.2
117.07013	13.2
119.08566	21.8
121.06519	2.9
121.10136	16.5
123.08091	4.9
127.07516	1.3
127.80232	1.2
128.06247	3.5
129.06996	12.6
130.07825	1.9
131.08557	10.4
133.10126	14.2
135.08046	1.6
135.11658	6.4
141.09085	1.2
143.08537	8.2
145.10094	8.9
147.08038	2.2
147.11673	32.4
147.12779	2.1
149.13251	26.7
156.09323	1.5
157.68849	1.1
159.11690	8.9
161.09648	3.8
161.13260	11.5
163.11185	2.1
171.11676	28.0
177.12743	5.7
177.42929	1.1
189.12723	11.2
195.13805	7.6
207.13792	31.7
213.14943	1.4
225.14830	4.2
247.93416	1.2
442.51773	1.1
457.29599	1.5
475.30545	68.0
476.31052	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	475.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.2
53.03948	9.6
55.01860	3.9
55.05508	23.4
57.03421	5.7
57.07069	2.1
65.03928	4.8
67.05498	99.5
69.03421	2.1
69.07064	29.8
69.87775	10.7
71.04985	2.6
73.02914	2.0
79.05486	100.0
81.03412	6.7
81.07046	92.9
83.04980	14.4
83.08614	17.0
85.06543	5.8
91.04888	2.2
91.05470	68.1
93.07036	95.6
93.75615	1.7
95.04965	30.6
95.08596	31.6
97.06525	12.5
97.10162	4.1
98.20778	2.2
99.08077	3.6
101.34217	1.6
105.04496	2.3
105.07025	46.6
107.00134	1.8
107.04923	12.0
107.08588	40.1
109.06509	9.0
109.10140	4.8
111.08067	6.7
115.05437	2.1
117.06996	16.6
119.08570	25.0
121.06460	3.8
121.10146	15.2
123.08082	4.6
128.06227	2.5
129.06973	16.8
131.08554	12.0
133.10133	12.1
135.11670	5.8
143.08553	7.4
145.10091	9.4
147.08008	2.8
147.11659	36.1
149.13237	28.4
149.50699	1.8
159.11670	12.0
161.09595	3.6
161.13260	11.1
166.53680	1.6
171.11676	25.0
177.12752	5.5
189.12689	12.2
195.13788	4.7
207.13773	34.4
225.14867	2.6
313.00018	2.2
356.14749	1.7
404.69345	1.8
461.54816	1.9
475.30478	83.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.9
53.35830	1.5
55.01857	4.6
55.05264	2.1
55.05508	30.0
57.03436	6.3
57.07066	2.5
61.09186	1.4
65.03924	3.6
67.05499	94.0
69.03416	1.5
69.07063	25.7
69.59462	9.3
71.04976	5.3
73.06560	2.2
77.03905	1.5
79.05488	99.4
81.03411	11.5
81.07049	96.7
81.89979	1.3
83.04979	17.9
83.08610	16.9
85.06516	4.0
91.04897	2.6
91.05473	71.2
93.07037	100.0
95.04963	26.8
95.08598	39.0
97.06520	15.6
97.10139	3.2
98.20618	1.4
99.08086	3.8
103.05439	1.9
105.04529	3.2
105.07022	41.4
105.76564	1.2
107.04946	7.9
107.08591	37.5
109.06518	6.7
109.10168	4.9
111.08063	6.1
113.09602	1.6
115.05413	2.1
117.07019	12.9
119.08575	20.7
120.84302	1.2
121.06496	4.0
121.10133	17.7
123.08059	5.8
123.11727	2.4
127.07565	3.7
128.06226	2.8
129.06993	16.8
131.08585	10.3
133.06512	2.5
133.10126	13.5
135.08014	2.1
135.11726	7.4
137.96393	1.2
143.08505	8.7
145.10149	7.7
147.08022	2.0
147.11681	35.4
149.13240	23.6
159.11671	13.7
161.09613	5.4
161.13257	13.7
163.11211	1.7
171.11681	28.3
177.12750	5.6
179.14230	2.5
189.12726	10.7
195.13753	7.7
198.96542	1.7
207.13805	32.3
225.14923	4.9
251.16403	1.8
269.17453	1.8
280.72989	1.6
281.17526	1.7
385.52328	1.4
475.30566	75.1
476.30707	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	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.9
51.02362	1.8
53.03941	8.4
55.01860	4.8
55.05508	25.4
57.03435	5.4
57.07064	2.5
65.03947	5.3
67.05501	93.4
69.03415	1.9
69.06718	1.5
69.07065	25.5
69.34802	10.6
71.04990	6.3
73.06540	1.5
77.03922	1.6
79.05489	97.9
81.03420	10.6
81.07052	100.0
83.04533	1.6
83.04976	16.1
83.08617	16.0
85.06542	5.9
88.05280	0.9
91.05475	66.9
93.07040	94.7
95.04358	1.3
95.04967	28.9
95.08604	37.7
97.02892	1.0
97.06523	13.1
97.10160	3.2
98.20683	1.7
99.08062	3.5
105.04520	1.9
105.07025	43.6
107.04960	8.0
107.07857	2.1
107.08588	40.3
109.06503	9.4
109.10155	7.7
111.04461	1.0
111.08068	6.6
113.09618	2.0
115.05466	3.0
117.07003	15.0
119.07783	1.8
119.08578	22.4
121.06488	3.6
121.10141	17.6
123.08063	7.4
123.11697	1.7
125.09676	1.2
127.07502	1.1
128.06197	3.1
129.06995	16.1
131.08539	10.2
133.06544	1.3
133.10115	17.0
135.08066	2.1
135.11707	8.5
143.08513	8.5
145.10124	8.9
147.08028	3.0
147.11678	33.8
149.13243	25.8
149.14362	2.0
159.11691	11.5
161.09613	3.8
161.13234	9.9
163.11125	2.2
171.11681	25.2
177.12727	7.0
179.14305	1.3
189.12766	10.7
195.13773	8.5
195.81808	1.3
207.13783	30.3
213.14905	3.1
225.14955	3.5
273.39697	0.9
281.17303	1.5
310.69025	1.1
435.66885	0.9
475.30542	64.7
476.30872	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.05504	1.0
56.96564	0.5
67.05489	1.1
69.07050	1.1
70.04783	3.2
72.28528	0.5
74.29765	0.5
79.05494	3.7
81.03416	0.6
81.07056	8.5
83.01334	1.3
85.02908	1.1
89.74000	0.5
91.05460	1.2
93.07036	1.3
95.04957	1.3
95.08593	2.3
98.20853	0.9
98.97578	1.6
103.05455	1.6
105.07022	7.6
107.04948	25.0
109.06486	0.8
112.49005	0.5
113.05783	0.5
116.98620	0.7
117.07001	1.2
121.02907	0.8
121.06509	8.7
123.08043	1.7
128.43091	0.5
129.06990	0.7
131.04910	16.8
132.05669	0.7
133.06479	14.1
133.10165	0.7
135.08023	1.0
139.07533	0.7
145.06485	7.9
147.46771	0.6
151.07521	1.5
153.09085	1.6
154.06316	0.7
157.06488	1.1
159.08055	0.8
161.05962	1.3
165.09077	1.1
167.07048	1.2
169.08664	0.9
173.06058	0.9
175.07439	0.6
177.00728	0.9
179.06920	0.6
181.08588	20.4
181.10219	1.1
182.09320	0.9
183.10143	1.7
186.06741	0.6
190.35622	0.6
191.07011	1.0
193.08598	1.6
195.08034	1.1
195.10036	1.1
205.08623	1.5
206.07283	0.8
209.09697	0.8
210.10440	1.0
211.07437	0.8
219.01715	0.8
219.10254	0.9
221.09671	3.8
222.10411	1.3
223.07521	1.0
227.10632	0.8
235.10971	0.9
237.09056	0.8
238.09828	4.5
239.10680	1.8
240.43336	0.7
249.09073	3.5
250.10002	0.9
251.07072	0.7
253.12273	4.6
255.10272	1.1
263.10919	0.6
265.08551	0.9
266.09433	2.8
267.10175	2.9
267.12863	0.5
270.12396	0.9
281.11722	8.9
282.12512	1.6
283.09573	4.9
285.14941	1.0
297.11230	1.9
298.11908	3.6
313.14310	100.0
314.14606	2.5
355.14246	0.8
383.21869	0.7
475.26871	2.0
487.18280	1.5
501.20038	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.05501	0.7
56.96559	1.0
57.03436	0.7
62.80898	0.5
67.05489	1.4
69.03419	1.1
70.05074	2.9
77.03906	0.6
79.05479	3.9
79.49073	0.7
81.03392	1.8
81.07045	2.5
82.01831	0.6
83.01307	1.1
85.02888	1.8
91.05479	2.4
93.07019	1.6
95.04958	2.8
95.08593	1.9
97.02898	1.1
98.97578	0.9
103.05458	1.6
105.07026	9.1
107.04951	54.0
107.08597	0.6
109.06526	0.7
115.05461	1.4
116.98521	0.6
117.06997	1.4
119.08552	1.3
121.02866	1.3
121.06499	9.1
121.10134	0.6
123.04425	1.2
123.08057	1.7
129.05479	0.9
129.07030	0.8
131.04926	17.6
131.08542	1.3
132.05626	0.7
133.06488	10.8
134.99602	0.7
135.04414	0.7
135.08038	1.2
137.05936	1.0
138.06746	0.9
145.06464	7.0
147.04434	1.4
151.07515	1.8
153.01926	0.7
153.09100	2.0
156.05669	0.9
157.06604	0.8
159.08040	1.5
159.86958	0.6
165.09081	1.5
167.07057	3.9
173.05922	1.1
175.07585	0.7
177.00745	0.7
177.05508	0.6
181.05066	3.0
181.08574	18.8
182.09409	0.7
183.10161	1.7
187.07544	1.8
191.07027	1.4
192.07780	2.8
193.08580	1.1
195.08119	1.0
195.10207	1.0
205.08612	2.5
207.08392	0.9
207.10153	24.6
208.08817	0.8
211.11147	0.6
217.08669	1.0
219.08226	0.9
219.10126	1.1
221.09604	3.4
222.10431	1.4
223.07492	1.5
223.11111	1.0
224.08363	0.8
237.09042	0.9
238.09900	5.2
239.10703	1.8
247.07410	0.6
247.09673	1.3
248.08420	0.7
249.09134	2.6
250.09718	0.7
251.10757	0.9
253.12218	4.8
254.13058	1.0
263.10751	0.7
265.08548	1.3
266.09390	3.6
267.10144	2.4
279.10510	0.7
281.11713	8.6
282.09076	0.9
282.12424	2.2
283.09634	5.0
297.11224	1.7
298.12067	3.5
313.14316	100.0
314.14679	1.9
315.08447	1.6
323.12708	0.9
330.11020	1.0
351.12189	1.0
354.90283	0.6
361.26987	0.8
383.14789	2.5
383.22223	1.3
404.14380	1.7
457.18750	0.8
457.26089	0.8
475.20526	1.1
475.27155	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	474.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05013	0.3
69.58246	0.6
69.58657	1.6
75.22017	0.3
79.05471	0.4
83.06093	0.5
85.02869	0.3
86.03487	0.3
95.04931	0.5
95.06100	0.4
96.04475	0.6
104.04945	0.5
105.03366	0.6
105.05767	0.5
106.06540	0.7
111.05550	3.8
120.04450	3.7
123.05547	1.3
125.05830	0.5
126.06651	2.6
127.03912	0.4
127.04939	0.3
131.05003	0.3
132.04445	25.4
133.05121	0.4
134.06004	5.9
137.04655	1.9
138.28680	0.3
140.08076	0.5
146.02371	0.4
151.06133	10.6
152.72304	0.3
158.05997	0.5
159.05507	0.3
160.07529	0.3
166.07185	0.4
174.06670	0.3
177.04074	0.6
194.06726	5.6
195.07491	1.0
202.09743	2.2
206.06905	0.3
208.08299	0.5
214.07535	0.3
214.09755	0.5
216.11258	1.0
227.09210	0.4
230.09175	2.0
232.10741	0.9
242.09209	5.2
255.08769	0.5
257.10345	5.2
258.08734	0.6
259.11874	11.0
260.12064	0.4
274.12906	0.4
284.11362	3.6
301.14227	0.3
302.12445	17.5
303.12802	0.7
327.11902	3.4
345.13034	100.0
346.13391	3.6
370.73132	0.3
375.96631	0.3
440.38959	0.4
456.16147	1.1
474.17288	11.4
487.98538	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.2
54.12061	0.3
55.01855	0.5
55.05503	0.5
57.03417	0.6
60.47234	0.3
63.23744	0.3
67.05493	1.0
69.03413	0.4
69.47499	2.2
69.47921	0.9
74.05929	0.3
77.03928	0.5
79.05499	3.1
79.30917	0.3
81.03410	1.5
81.07053	1.4
83.01316	0.7
83.04988	0.5
83.08620	0.5
85.02909	0.7
86.28648	0.4
91.05489	2.1
93.07014	1.6
95.04970	2.2
95.08602	1.1
97.06496	0.4
103.05450	1.8
105.07027	9.5
107.04949	31.7
107.08582	0.5
109.06499	1.0
115.05442	0.7
117.06993	1.4
119.04926	0.4
119.08575	0.7
121.02871	0.7
121.06499	10.5
121.10081	0.4
123.08065	1.4
129.05457	1.0
129.06987	0.4
131.04921	22.5
131.08534	0.4
132.05745	0.8
133.06483	15.4
135.08018	1.3
135.11798	0.4
136.05174	0.5
137.06001	0.4
137.09578	0.6
138.06761	1.1
139.07523	0.6
145.06480	10.5
147.04367	0.6
147.08011	0.9
147.48575	0.3
151.07533	1.9
153.09087	2.2
154.06265	0.7
157.06490	0.5
159.08089	0.8
161.05965	1.4
161.09462	0.5
163.11153	0.4
165.09103	2.2
166.06303	0.7
166.09906	0.6
167.07008	0.9
168.07791	0.4
169.08662	1.9
173.05946	1.2
175.07567	0.6
178.07724	0.4
179.07021	0.8
179.08519	0.4
181.06812	0.8
181.08588	24.1
182.09250	1.0
183.10120	2.3
187.07674	0.5
189.11702	0.4
190.07832	0.4
191.06998	0.7
193.08549	0.8
193.10143	0.8
195.08035	1.6
195.10161	1.1
202.07861	0.4
203.08607	0.5
205.08626	1.0
206.07228	1.0
206.09241	0.6
207.08163	0.6
207.10040	0.5
208.08716	0.7
209.09535	1.1
210.10408	1.3
211.07565	0.8
211.11110	0.8
212.08157	0.4
219.10179	1.3
221.09604	4.2
222.10478	2.0
223.07504	1.4
223.11133	1.0
224.08345	0.8
225.09036	0.6
227.10681	0.5
227.12717	0.6
235.11067	0.5
237.09088	1.3
238.09856	6.1
239.10612	2.5
249.09155	3.6
250.09825	1.3
251.06918	0.9
251.10634	0.8
252.11395	0.6
253.12247	5.8
254.12927	0.6
255.10146	1.4
265.08621	1.5
266.09363	3.5
267.10141	2.9
270.12476	0.8
280.10947	0.5
281.11716	10.0
282.12503	2.1
283.09647	6.5
285.14908	1.2
295.13144	0.6
297.11319	2.5
298.11990	5.2
313.14313	100.0
314.14679	3.2
383.22064	0.8
401.22992	0.5
457.26065	0.7
475.26953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97846	6.0
55.01858	8.2
55.05507	28.6
55.87702	5.6
56.96558	9.9
57.07065	11.8
61.02948	6.6
65.01414	6.8
67.05501	39.5
69.03426	9.3
69.07064	48.7
70.06606	7.4
71.05006	8.7
79.05486	31.0
81.03394	21.7
81.07061	100.0
83.04971	9.7
83.08615	28.3
85.02904	37.5
85.06534	11.4
91.05483	26.5
93.07052	24.5
95.04954	17.3
95.08604	72.2
97.02873	9.1
97.10137	15.7
98.97565	9.2
99.08096	10.3
105.07039	23.8
107.04926	14.0
107.08595	27.9
109.10168	43.6
111.08121	14.3
116.98597	11.8
119.08620	8.3
121.10159	16.6
123.08022	10.0
123.11684	19.1
131.08585	7.4
133.10068	7.5
135.11687	14.6
137.05968	9.9
137.13248	7.7
143.05826	7.1
145.10118	10.7
146.51247	6.5
147.04353	11.2
147.08009	7.6
149.06116	7.2
149.13274	16.6
169.61371	6.8
173.09535	6.5
177.00719	8.6
177.26338	7.9
265.15768	8.7
274.16205	11.7
314.91751	7.1
394.49637	7.2
473.23514	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	473.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	34.9
57.07065	9.6
67.05501	49.8
69.03397	9.1
69.07067	51.6
71.34051	16.4
79.05482	23.0
80.89924	7.0
81.03412	19.9
81.07065	96.9
83.04944	9.3
83.08614	27.6
85.02885	26.6
85.06522	11.4
86.09706	8.2
91.05471	17.5
93.07041	31.8
95.04943	17.7
95.08597	100.0
97.02890	15.8
97.06536	10.1
97.10175	22.0
98.97586	12.6
105.07043	16.5
107.04969	9.7
107.08582	18.0
109.06483	9.7
109.10167	48.7
111.08086	13.2
111.11723	18.9
113.43398	7.4
116.98664	8.2
117.07013	13.6
119.08559	15.6
121.06521	13.3
121.10155	16.0
123.11701	26.4
131.08519	10.3
133.10121	7.9
134.99574	7.9
135.11621	8.5
137.05940	11.5
137.13264	17.1
143.08618	7.8
145.10115	9.1
147.04399	12.1
147.11742	10.1
149.13287	23.6
157.10088	11.5
177.00694	9.0
189.60957	8.1
197.57932	6.9
198.11136	8.4
216.92502	6.7
237.22165	7.3
265.15567	21.7
273.52652	8.1
274.16031	12.2
381.20465	9.3
455.16870	9.0
473.23416	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.1
51.21921	1.0
53.03946	8.5
55.01867	5.5
55.05510	18.2
57.03432	4.5
65.03936	3.1
67.05502	50.8
69.03420	3.4
69.07069	10.2
69.48419	9.7
71.04997	3.1
72.46928	1.0
79.05489	69.8
81.03413	100.0
81.07051	42.6
83.04977	12.7
83.08618	22.1
85.02905	1.2
85.06537	2.5
91.05476	60.9
93.07041	50.6
95.04964	40.4
95.08602	23.4
97.02901	4.4
97.06526	4.9
97.10177	5.5
99.08123	1.6
103.05492	1.7
105.04498	2.7
105.07023	41.4
107.04939	9.8
107.08584	15.4
109.06521	7.1
109.10159	6.9
111.04420	2.4
111.08058	6.5
115.05480	4.2
116.06261	1.5
117.07015	11.1
119.04948	1.2
119.08575	29.5
121.06503	4.2
121.10127	7.5
123.04446	1.1
123.08065	4.9
125.09602	2.6
127.07527	1.2
128.06223	2.8
128.68503	0.9
129.06998	23.9
131.08559	13.3
133.06506	4.7
133.10139	11.1
135.08022	1.3
135.11671	1.7
137.09589	3.1
141.07021	2.4
142.07799	3.7
143.08575	7.0
145.06506	3.3
145.10103	9.7
147.08044	5.4
147.11678	30.0
149.09619	3.7
151.07640	1.1
155.08575	2.4
157.06520	1.7
157.10092	9.7
159.11682	2.2
161.09680	4.1
161.13263	9.6
165.12828	1.4
167.08554	1.4
169.10204	1.3
171.07990	1.8
171.11678	20.3
175.11148	8.5
179.14275	1.3
181.10138	1.8
189.11296	1.9
189.12794	8.5
193.12234	28.2
207.13786	23.7
217.05602	1.2
225.14899	3.7
229.15848	2.1
231.13737	1.6
244.36836	1.2
249.14848	4.0
267.16101	1.8
281.17645	2.5
301.18039	1.4
363.23111	2.4
381.24265	4.4
389.04776	1.1
399.25296	3.0
417.26706	1.2
455.27991	3.9
456.27725	1.4
473.29004	85.1
474.29236	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69490	1.0
52.86269	1.2
53.03946	7.5
55.01873	5.1
55.05505	20.6
57.03171	1.1
57.03429	4.3
57.07056	1.1
65.03929	3.3
67.05501	47.7
69.03413	2.3
69.07058	10.2
71.04987	2.4
77.03926	1.6
78.12677	1.0
79.05486	67.1
81.03411	100.0
81.07048	41.0
83.04977	11.4
83.08609	21.3
85.02901	1.4
85.06541	2.3
85.70162	1.0
86.29408	1.3
91.05472	60.6
93.07033	47.9
95.04962	38.2
95.08601	23.4
97.02893	3.2
97.06524	4.4
97.10166	4.7
98.21436	2.8
99.08051	1.4
103.05467	2.2
105.04514	1.2
105.07024	42.7
106.92390	1.1
107.04947	10.7
107.08592	12.1
109.06505	6.3
109.10163	4.3
111.04415	1.5
111.08081	8.4
115.05464	2.0
117.07003	10.9
119.04928	1.3
119.08571	29.4
121.06497	5.6
121.10149	6.5
123.08050	5.8
125.09628	1.6
128.06195	2.6
129.06985	24.4
130.26244	1.1
131.08542	11.8
133.06477	3.6
133.10150	10.6
135.11644	2.0
137.09554	2.2
141.06973	1.7
142.07739	2.4
143.08540	7.4
145.06508	2.5
145.10141	7.7
147.08055	4.4
147.11676	29.3
149.09593	3.3
153.09030	1.1
157.06509	1.2
157.10115	10.7
159.08075	1.2
159.11720	1.2
161.09607	2.9
161.13254	9.7
163.11220	1.7
165.12679	1.6
167.08551	1.3
167.49846	1.1
169.10112	1.5
171.07944	1.7
171.11678	20.7
172.11981	1.8
174.78944	1.2
175.11169	7.3
181.10184	1.3
189.12729	9.6
193.12234	27.0
207.13785	20.5
211.13292	1.1
213.12735	1.8
225.14841	2.3
229.15887	1.7
249.14949	3.6
267.16034	1.3
281.17593	1.4
363.23181	2.6
381.24240	4.2
399.25067	2.7
417.26266	1.3
425.18735	1.3
455.27960	2.7
464.12106	1.1
473.28955	74.3
474.29071	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	473.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	1.4
53.03943	10.2
55.01873	5.3
55.05507	22.6
57.03432	3.3
65.03942	6.1
67.05500	51.3
69.03410	3.1
69.07061	10.9
70.99657	3.0
71.04980	2.4
73.06535	1.4
79.05489	71.1
81.03412	100.0
81.07051	41.8
83.04982	13.1
83.08614	21.2
85.02892	1.5
85.06538	3.0
91.05474	64.8
93.07036	48.2
95.04963	43.9
95.08597	21.9
97.02891	3.2
97.06517	4.6
97.10172	5.4
99.08044	1.5
103.05486	2.3
105.04513	2.0
105.07022	45.7
107.04947	11.7
107.08582	14.7
109.06499	7.3
109.10136	4.6
111.04444	1.1
111.08075	8.6
115.05431	4.4
117.06998	10.5
119.04926	1.9
119.07784	2.2
119.08575	28.9
121.06493	3.9
121.10175	7.1
123.08064	6.1
125.09605	2.3
127.07581	1.8
128.06184	5.6
129.06990	27.6
131.08556	13.1
133.06488	4.5
133.10130	10.1
135.08011	3.1
135.11662	1.5
137.09636	2.6
141.06982	2.2
141.09149	1.2
142.03168	1.2
142.07794	3.5
143.08554	9.8
145.06520	2.2
145.10130	10.9
147.08011	5.3
147.11668	29.7
148.11819	1.1
149.09613	5.0
155.08548	1.5
157.10135	9.6
159.08084	1.2
159.11656	1.6
161.09572	4.0
161.13275	8.4
163.11241	1.5
165.12703	1.8
167.83624	1.2
169.10254	2.0
171.11671	20.3
173.09682	1.2
175.11113	8.2
179.14183	1.3
185.09537	1.5
185.13309	1.3
189.11183	2.1
189.12671	8.0
193.12222	27.8
199.04369	1.0
207.13805	22.2
213.12706	1.7
222.46725	1.0
225.14803	2.1
229.15898	2.5
249.14894	5.1
269.74500	1.5
319.58551	1.0
363.23187	2.4
381.24289	3.8
399.25208	3.2
455.27692	4.0
473.28952	76.3
474.29431	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	473.115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	1.5
58.99847	1.9
69.03420	1.5
70.99854	0.9
71.59096	1.6
71.70341	0.9
72.74624	0.9
77.00912	6.0
78.10739	0.9
81.03409	4.7
84.08160	2.1
85.02902	1.9
86.09735	1.0
89.00879	2.2
91.02452	1.1
91.05446	0.9
95.01940	2.9
98.97588	1.7
100.00094	1.4
101.00871	9.6
105.00370	2.2
107.04975	3.6
109.02847	5.2
109.03503	1.0
113.00880	1.3
115.02444	3.7
116.98665	1.1
118.01118	5.1
119.01916	36.8
120.02024	1.2
127.02463	1.8
127.03983	1.1
131.01909	12.7
132.04491	1.4
133.03458	8.1
135.01404	1.4
137.02945	4.9
139.02452	3.2
141.03886	1.4
142.01068	1.7
143.01906	5.1
144.02644	1.6
145.03458	15.1
147.01396	4.4
147.05060	1.2
149.02954	2.9
153.02507	1.9
155.01904	3.1
155.32635	0.9
156.02705	11.6
157.03482	23.0
158.00575	1.0
159.01418	3.5
159.05034	7.0
160.02182	4.4
161.02940	9.9
163.04510	3.0
167.01932	4.5
168.02649	1.4
169.03476	2.8
171.01370	1.4
171.05009	2.7
173.02983	4.3
174.03764	2.8
175.04506	10.8
177.02354	2.2
181.03479	1.3
183.01335	1.0
183.05116	1.1
184.02199	8.9
185.02953	17.3
186.03673	1.3
187.04552	1.4
189.00705	1.1
189.02356	1.6
195.05092	3.4
199.04515	8.4
202.03233	1.8
203.03990	9.9
203.05795	1.6
207.05048	3.8
208.05951	1.3
213.06075	1.8
217.03543	1.5
217.05536	13.7
219.05060	2.3
221.04980	6.0
223.04550	4.1
225.06160	4.7
231.03381	1.4
233.06621	1.4
235.04485	3.1
235.06584	43.9
237.06023	1.9
243.07188	1.5
245.06761	1.4
248.05385	1.2
249.06123	2.6
251.04044	1.1
251.07761	1.4
253.05547	5.2
253.07693	100.0
254.07913	4.2
261.06149	1.7
263.05789	4.9
265.05582	1.5
267.07141	3.4
269.52142	0.9
271.06509	3.9
271.09012	10.7
275.07761	1.9
276.06802	10.7
276.09341	1.4
277.07632	3.1
279.07361	1.4
281.07150	8.3
291.07156	2.6
293.07150	14.8
294.07904	5.6
297.08640	2.8
302.12585	1.4
308.68787	1.2
309.08063	2.1
311.08270	26.7
321.08630	1.2
334.09863	1.4
343.12369	1.7
345.13086	6.6
361.13531	2.8
365.10794	3.2
369.10355	4.0
371.11713	5.9
381.10294	2.9
383.11960	8.7
387.11298	4.0
389.13065	4.9
397.09793	20.1
399.11395	2.3
401.12875	5.0
409.09766	1.4
411.11377	25.9
412.11740	1.2
415.10837	61.8
416.11148	3.7
429.12424	27.1
430.12631	1.4
437.09253	10.1
438.12402	1.9
455.10336	33.3
456.10590	2.8
473.11032	14.4
474.17386	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	472.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	1.3
56.53305	0.9
56.96540	1.6
57.03417	1.2
64.06805	0.8
66.03355	0.9
67.16451	1.0
69.03414	4.8
69.68999	4.5
69.69409	1.9
70.06583	1.4
79.01848	1.0
81.03416	9.6
85.02898	5.6
86.79826	1.0
97.02884	8.5
98.97518	1.1
99.04435	1.5
103.03934	1.3
107.01305	1.3
109.02862	6.2
125.02331	3.5
125.26919	1.0
127.03906	7.2
131.04915	1.9
137.85048	0.9
143.03375	6.1
145.04915	2.5
147.04401	2.0
153.01820	100.0
171.02859	13.0
179.03372	3.9
185.08012	1.1
231.06415	1.5
279.48941	1.1
297.06030	12.5
315.07095	8.7
373.77838	1.1
411.25668	1.0
458.14182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.6
57.03421	1.5
61.02914	1.4
67.66003	0.6
69.03419	3.4
70.06592	2.2
71.04814	1.6
81.03389	0.9
82.06567	0.7
83.08607	1.5
84.08989	0.6
85.02888	3.5
86.09684	0.9
91.14761	0.6
93.19994	0.6
97.02891	1.9
100.11247	8.5
100.53047	0.6
101.11591	3.6
106.43502	0.6
109.02865	0.7
111.04461	0.7
120.20820	0.7
123.04434	1.3
127.03905	1.5
136.07626	1.0
137.05983	0.7
143.03398	0.6
163.37697	0.6
177.71651	0.6
182.15396	1.9
183.15785	1.1
185.04214	7.7
185.27402	0.7
198.05853	1.4
203.05161	0.9
209.16393	0.8
210.14925	2.0
210.16759	1.0
211.15213	1.9
221.11543	0.8
265.04770	1.3
293.04202	1.6
303.10574	1.3
311.05231	49.7
329.05737	0.7
355.10480	0.7
455.08759	1.9
472.35760	14.2
473.10547	100.0
473.24008	10.6
473.36038	4.5
474.10989	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	471.2203
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
67.05487	0.4
69.51566	1.6
72.08153	0.2
81.07054	0.4
85.02916	0.2
91.05477	0.3
95.04937	0.2
97.02888	0.2
119.04916	0.3
123.04560	0.2
127.09881	0.2
128.05330	0.2
147.04445	1.1
185.04239	0.3
203.05305	0.7
257.21915	0.2
259.07993	1.0
269.08044	0.2
271.13916	0.5
285.09915	0.2
295.13748	0.3
309.16736	1.4
389.88791	0.2
471.22000	100.0
472.22299	4.3
472.28320	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.18052	1.2
55.93523	100.0
56.05027	1.3
56.94283	1.3
56.96558	3.7
60.04524	2.5
60.42022	1.8
65.03919	1.4
65.94213	1.4
69.03423	2.9
70.06573	2.7
70.95866	2.5
71.59558	1.8
71.92997	3.7
72.08145	2.4
72.93786	11.2
81.03416	4.1
84.04497	2.1
84.08105	1.2
85.02467	1.3
85.02917	4.3
90.94836	6.9
91.05474	71.7
93.91007	1.5
97.02337	1.5
97.02917	3.0
99.04432	1.4
101.07142	3.1
101.73275	1.3
102.40396	1.2
104.06246	6.7
105.03368	3.7
105.07034	4.7
107.04960	2.0
108.95863	2.4
115.05440	7.5
116.98601	1.3
117.07018	2.1
118.04174	3.7
119.04941	3.7
122.53307	1.4
123.94520	3.2
125.96143	2.1
127.03938	3.5
131.04922	4.0
133.06523	3.8
137.97667	2.2
138.98334	2.1
139.03914	2.0
143.03510	1.5
147.04384	3.1
148.04713	1.7
153.01817	19.0
155.98662	6.2
158.99004	1.3
161.05945	17.3
163.03891	2.0
163.99184	17.3
164.99939	2.7
165.97101	8.1
166.97792	1.5
167.06993	1.9
167.98642	1.6
169.84727	1.6
171.02815	2.0
178.97932	5.2
179.98656	11.3
181.96701	3.8
182.00237	44.3
183.98206	18.9
190.97896	2.1
191.98656	14.2
192.99466	4.0
193.14340	1.4
193.96600	1.4
194.00188	2.3
194.97379	6.3
195.03261	3.7
195.98161	3.2
196.98978	5.2
197.99765	6.0
199.97694	5.2
201.99208	9.1
203.98753	3.1
205.01866	2.9
205.96663	3.6
206.00243	9.0
207.01024	15.8
207.98224	3.0
208.01868	3.6
209.99838	3.0
210.07710	2.1
211.97736	2.6
212.98444	8.2
219.98065	1.4
220.98882	1.3
221.99719	4.3
223.00540	1.5
223.97668	6.4
224.98427	1.5
232.98958	30.3
233.01289	2.3
233.99692	8.3
235.97655	1.5
236.98514	6.3
237.02892	1.7
237.99284	1.4
240.00777	2.9
246.96875	3.2
247.97534	3.1
248.98524	3.5
249.99185	2.2
251.00101	6.5
252.05920	8.1
265.98761	2.3
268.00397	1.9
280.05392	19.5
281.06241	2.0
289.98679	19.8
293.98212	2.8
305.98245	2.2
321.97675	12.7
322.01178	1.6
322.02933	2.0
323.99295	4.8
324.04382	6.0
338.05927	3.5
339.98657	6.1
352.06375	2.3
353.04758	2.0
357.99731	1.7
364.03867	20.9
379.02802	1.9
384.02765	3.7
412.02200	2.1
430.03540	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	471.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23450	0.3
59.86780	0.3
62.27554	0.3
69.03431	0.6
71.04987	0.4
71.59624	0.4
72.08134	0.4
72.21489	0.3
77.40945	0.3
81.03391	0.3
81.51162	0.3
83.01095	0.9
85.02891	1.1
86.09715	0.3
89.99992	0.3
95.01114	1.7
96.01858	0.9
96.59001	0.3
97.02887	0.5
98.97540	0.3
108.69654	0.3
109.02827	0.4
112.01331	0.9
113.02119	2.3
126.09158	0.4
127.03891	0.5
139.03792	0.4
147.04373	1.9
153.01819	1.3
153.06377	0.3
157.04689	0.6
165.09184	0.4
167.03246	0.4
169.04785	0.3
183.54022	0.3
185.04221	4.0
189.05263	1.4
201.03726	0.8
203.05327	0.9
205.12227	0.4
219.06288	2.7
223.13220	0.6
234.08618	16.5
235.09312	0.6
247.09535	0.3
259.07880	2.2
265.09906	0.3
277.10446	1.7
309.12973	0.3
440.16446	0.9
441.17041	2.0
471.18359	100.0
472.18521	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	Unknow
Peak:m/z	Relative Intensity
70.06572	1.0
70.43705	2.5
71.04966	0.6
74.92387	0.6
85.02865	1.2
85.06504	0.6
95.08598	0.8
132.17253	0.6
136.19116	0.6
137.05911	0.7
141.05219	20.0
147.04381	2.7
153.01822	0.7
191.10408	1.7
197.29965	0.6
283.64651	0.7
309.16708	100.0
310.17111	1.6
353.15546	1.2
396.06845	0.8
471.22028	94.9
472.22412	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	471.22
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
55.05498	0.5
67.05505	0.9
69.07061	1.3
69.17841	0.4
70.97930	1.1
78.60896	0.4
79.45654	0.4
81.03427	0.6
81.07037	1.7
81.99892	0.4
85.02901	1.3
91.05431	0.6
95.08598	1.0
98.21421	0.4
107.08591	0.6
107.87918	0.5
109.10140	0.7
123.04422	1.0
139.03900	1.2
147.04373	2.3
185.02887	0.6
198.16989	0.5
198.75496	0.5
203.03992	0.6
273.07629	0.4
275.06241	0.6
291.26901	0.5
298.60101	0.4
333.07880	2.2
335.09448	6.4
376.59317	0.4
471.21982	100.0
472.22214	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	471.156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38667	0.4
53.83476	0.4
53.91647	0.4
60.28183	0.5
67.70928	0.4
69.03407	0.9
70.20626	1.6
81.03408	1.4
82.99886	0.9
85.02898	1.3
97.13885	0.5
99.04443	0.9
101.00868	3.1
109.02868	2.7
115.02396	0.6
118.01112	0.7
119.01916	21.1
122.57247	0.5
127.03920	0.6
131.01874	1.6
133.03464	4.4
137.02936	7.2
139.02426	0.6
143.01895	4.8
144.01042	0.5
145.03442	3.7
147.05040	0.5
149.02982	0.7
151.04486	1.1
155.01921	0.9
156.02721	1.3
157.03464	13.2
159.01408	1.8
159.05034	0.9
160.02151	1.2
161.02953	19.5
163.04509	1.5
167.01875	1.4
169.03436	1.4
171.05016	1.4
173.02979	1.8
175.04527	15.3
177.02470	1.2
179.04042	1.4
183.05002	1.8
185.02959	8.5
187.04495	4.6
189.06107	2.0
191.03969	0.6
197.02864	1.7
199.04558	3.4
201.06090	3.9
203.04013	9.0
204.04018	0.6
207.03459	0.8
209.03003	0.6
215.04044	0.5
217.05551	4.0
221.05089	1.5
225.04500	0.6
227.03990	1.9
235.06689	0.8
245.05057	7.8
246.05347	0.6
247.06717	0.8
253.07860	0.7
259.06717	4.0
263.06235	1.2
275.05933	0.5
277.07669	40.2
278.07904	1.1
295.08731	100.0
296.08865	3.7
318.10300	2.8
337.09811	2.4
411.13217	1.1
429.14459	2.5
471.15631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17869	0.1
52.86801	0.1
53.03937	0.1
55.05488	0.1
58.97030	0.1
68.54438	0.1
69.78598	0.2
69.79008	0.5
71.07366	0.1
79.05493	0.2
91.05455	0.9
95.04965	0.1
95.08590	0.1
97.02885	0.1
98.09613	0.1
98.21446	0.2
100.11225	0.3
103.05433	0.2
103.53355	0.1
104.06207	0.2
104.70500	0.1
105.07022	3.1
117.07002	0.2
118.06535	0.1
119.08552	0.1
127.03917	0.1
131.07202	0.1
132.08066	0.9
133.08859	9.8
134.09656	1.4
144.08025	0.2
146.09637	0.7
147.10406	0.2
148.11195	100.0
149.11546	1.0
153.01805	0.2
210.70540	0.1
261.19711	0.2
273.64197	0.1
289.19147	0.3
305.18555	0.2
307.20096	1.1
410.10422	0.1
415.22269	1.1
433.23364	0.7
451.24353	3.7
451.31985	0.2
451.33102	0.2
469.25461	8.1
469.33350	0.3
470.25885	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	471.1286
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
51.02382	1.0
52.46916	0.7
53.03947	0.6
55.01858	1.3
55.05500	1.6
56.96576	1.0
57.03421	0.6
60.56154	0.6
65.03943	5.1
66.10588	0.6
67.05503	3.8
68.99783	1.4
69.03409	1.7
69.07072	1.0
70.06587	0.9
71.04985	1.7
71.29569	1.1
72.08151	4.8
73.08477	0.7
79.05500	1.2
81.03408	1.1
81.07035	2.1
82.04199	0.9
83.04994	1.7
84.96027	0.6
85.02901	4.0
91.05473	2.1
93.03408	1.5
95.04958	3.1
97.02888	1.2
97.06521	1.2
100.11246	2.0
105.03414	1.5
107.04977	0.7
110.03706	1.4
111.00806	1.1
111.04448	5.1
115.05491	0.8
119.04926	2.2
119.91525	0.5
121.06535	0.8
121.54549	0.6
123.04424	68.9
124.04766	1.1
125.06010	1.5
128.17183	0.5
134.42137	0.6
137.06004	1.4
138.03082	1.2
139.03894	100.0
140.04276	1.7
140.07030	0.6
142.02544	1.0
147.04399	12.6
151.03882	9.9
153.01837	3.2
161.05933	1.0
163.03917	2.0
170.05777	0.7
171.06505	3.9
181.04955	57.0
182.15414	0.7
187.07550	0.7
189.05391	1.3
189.09142	0.8
210.14894	0.8
215.10643	0.6
219.10217	2.7
231.06508	1.2
245.81201	0.6
255.06490	0.9
273.07562	4.7
287.05319	0.7
291.08487	0.8
303.04971	1.8
309.16461	0.7
319.04568	1.0
361.02307	4.0
363.02713	1.1
375.03918	2.2
379.03436	1.7
471.08380	1.7
471.26318	6.1
471.35336	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	469.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62446	0.7
53.03934	3.0
55.05491	1.0
57.03422	1.0
61.02918	1.6
61.24162	0.9
69.03424	4.1
69.24818	0.8
69.30824	2.0
69.31233	7.5
70.30212	1.0
71.04965	2.4
73.02894	1.1
77.89260	0.9
81.03422	7.7
81.07066	1.6
83.01121	0.8
85.02901	31.6
86.14877	0.8
91.05471	1.5
95.01067	1.8
95.04972	0.9
96.01859	1.2
97.02890	12.1
99.04447	18.2
99.08100	1.2
103.03934	36.7
109.02869	7.3
112.01376	1.3
113.02106	3.3
117.09142	2.7
123.04407	1.9
127.03909	41.5
127.07610	1.1
137.06013	1.2
140.37546	0.9
145.04947	22.2
147.04411	1.4
153.01849	1.3
157.04704	1.2
163.03914	2.1
163.05995	14.6
173.08093	3.4
185.04121	4.6
187.06082	1.1
201.03725	1.5
203.05165	0.9
205.06984	2.0
217.04753	1.5
224.31023	0.9
232.07031	16.0
259.07938	2.6
259.75858	0.9
261.13376	1.1
271.08185	2.7
275.08862	1.7
307.10126	0.9
331.13928	2.1
438.15359	1.9
439.15549	1.9
469.16809	100.0
470.17169	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	469.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
53.36259	1.1
55.01852	4.1
55.05502	1.7
55.21672	1.2
56.96560	2.1
57.03427	2.4
58.06586	2.6
65.03924	1.4
67.05490	3.1
68.30442	1.1
69.03428	6.1
69.07058	2.2
71.01347	1.3
71.04978	2.4
79.01838	2.0
79.05478	3.4
81.03408	5.9
81.07040	5.9
83.04990	1.7
85.02911	10.3
91.05472	11.4
93.07016	2.7
94.04173	3.5
95.04965	3.2
95.08589	3.5
97.02888	6.7
98.97590	2.4
99.04440	3.6
101.02383	2.7
103.03943	2.2
103.05466	9.4
105.07028	2.7
107.04927	3.5
107.08567	2.1
108.05721	1.6
109.02853	3.0
109.06538	2.2
109.10101	1.5
111.04427	3.6
115.03976	1.7
115.05412	6.5
116.98633	2.9
117.07000	9.9
119.04937	9.8
119.08546	1.3
121.06497	2.5
121.10093	2.7
122.03647	7.0
123.04427	3.4
125.02327	2.6
127.03911	5.5
128.06198	2.8
129.06964	5.3
131.04919	20.2
131.08551	3.7
133.06473	3.5
133.07474	1.3
137.05971	100.0
138.06349	1.9
139.02908	1.4
141.06985	4.2
142.07883	1.4
143.03348	3.4
143.04907	4.3
143.08578	3.3
145.04909	1.8
145.05284	1.7
145.06476	18.2
145.10115	1.5
146.03622	3.8
147.04391	18.8
148.11214	4.3
149.05971	10.7
151.03938	3.0
151.07538	29.3
152.06158	2.7
153.01814	34.7
153.07004	2.1
154.02127	4.4
155.02319	2.5
155.08475	2.3
157.06503	7.6
159.04414	2.5
159.08040	4.3
159.11617	1.5
160.05185	4.8
161.05992	9.5
162.06688	3.1
163.03967	1.6
163.06119	1.8
163.07541	22.9
165.05475	3.9
165.07010	2.9
167.07164	1.5
167.08549	4.1
169.06482	5.6
171.02911	3.9
171.04306	1.9
171.08070	5.1
173.06044	1.4
174.06731	5.4
175.03824	1.4
175.07541	24.0
177.05490	13.6
177.09088	14.6
179.07037	11.1
181.06496	2.6
183.07988	2.8
185.05956	2.8
186.06812	2.6
187.07497	9.4
188.08318	2.2
189.05542	3.7
189.09070	12.4
191.07018	6.5
191.10655	2.4
193.08611	5.5
194.14883	1.3
195.08058	6.1
195.10020	1.6
197.04404	1.7
197.06015	4.3
197.09610	2.4
197.11703	1.2
199.07486	7.0
200.08302	1.6
201.05400	1.8
201.09126	8.1
203.07045	7.1
203.10649	5.1
205.08592	4.1
211.07549	3.5
213.05420	1.3
213.09123	6.1
214.06306	1.7
215.06976	4.5
215.10649	3.0
217.08578	8.6
217.12131	1.8
219.10164	7.4
221.08028	1.8
223.07538	3.1
225.09126	1.5
227.06998	4.2
227.10652	5.8
229.08559	8.5
230.09338	1.3
231.06528	2.5
231.10172	5.1
240.07788	2.0
241.08362	2.6
243.10176	1.7
245.08051	3.1
245.11758	5.5
247.09659	5.0
253.08812	1.4
255.10229	3.7
257.11856	2.4
259.09686	2.2
261.11163	1.8
263.09210	1.9
266.08069	2.4
269.08017	2.3
271.09601	1.8
273.11224	16.1
289.10776	2.9
291.12582	6.0
297.06030	1.9
297.11484	1.6
305.11636	1.5
307.06107	1.5
307.09506	2.0
317.08304	3.1
335.12753	2.3
337.14526	1.8
359.12616	1.8
365.13855	2.4
377.13904	1.9
379.15277	3.0
391.15140	1.9
409.16403	3.8
433.16364	3.5
451.17453	5.2
469.12930	29.5
469.19299	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1679
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
53.03942	0.7
61.82471	0.4
64.61861	0.3
66.71382	0.4
69.03415	1.2
70.27254	1.3
81.03437	0.9
81.07038	0.4
83.01098	1.4
83.04964	0.4
84.01872	0.4
85.02905	3.9
91.05482	0.6
95.01102	2.6
95.04942	0.5
96.01852	1.5
97.02872	1.4
99.04463	1.9
99.08074	0.4
100.66080	0.4
103.03931	4.4
109.02831	1.8
112.01326	1.1
113.02135	4.8
116.17736	0.4
117.09174	0.7
123.04405	0.7
126.02915	0.7
127.03907	4.7
137.05965	0.6
139.03839	0.5
145.04950	2.9
147.04405	0.8
153.01804	0.4
153.23480	0.4
157.04720	1.1
163.06047	1.9
167.03230	0.5
173.08134	0.4
185.04222	5.8
187.06018	0.5
201.03679	2.0
203.05208	0.9
217.04640	2.3
232.07063	19.2
233.07472	0.6
243.08408	0.8
250.08307	0.4
259.07867	3.2
275.08878	2.3
296.86841	0.4
331.14053	0.5
438.14929	2.9
439.15799	2.7
469.16803	100.0
470.17029	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	468.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
56.05033	2.5
57.03445	0.5
57.05839	0.2
57.06787	0.2
57.07074	4.3
58.06596	100.0
58.49536	0.2
59.06936	0.5
67.05499	0.8
69.07057	0.7
70.84763	0.4
70.85114	0.2
71.08624	3.1
76.07641	5.2
81.07044	1.3
81.09109	0.2
83.08622	0.8
85.10181	1.9
89.06020	0.2
95.08601	1.8
97.10191	0.6
109.10154	1.0
109.10863	0.2
118.23799	0.2
123.11741	0.2
156.04193	0.6
225.80055	0.2
230.07899	0.8
239.23714	0.2
296.29462	0.5
312.14426	0.2
313.27347	25.9
314.27673	0.9
350.67389	0.2
423.13040	0.2
450.29745	0.9
468.30554	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	11.2
57.03436	1.4
57.07075	31.2
59.04996	3.5
65.03934	2.4
67.05503	100.0
68.49040	0.7
69.07067	7.6
71.04990	3.8
71.08632	25.6
71.51448	1.3
79.05478	2.8
81.07056	28.3
83.08621	15.0
85.06543	3.6
85.10181	13.9
85.10664	1.4
91.05469	6.0
93.07031	3.8
95.08605	24.6
97.10167	4.4
99.11752	1.1
107.08588	1.9
109.10156	76.0
110.10496	1.0
111.08062	2.9
111.11703	1.7
119.08568	6.5
120.86379	0.9
123.11721	4.5
125.13346	1.1
137.09625	3.1
137.13277	2.8
147.09869	0.8
151.14816	1.3
152.38025	0.8
155.10710	4.1
165.16406	0.9
167.67256	1.0
173.11742	26.4
239.23665	9.0
255.75284	0.9
332.13336	0.9
369.31036	0.9
467.37344	94.6
468.37668	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	468.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89166	1.1
60.04522	25.9
65.03944	1.0
70.06570	1.1
71.59620	1.8
74.26474	1.0
79.01852	3.5
85.02888	1.1
97.02869	2.1
103.79993	1.0
107.04937	2.3
110.06044	2.1
119.04964	1.0
121.02807	1.4
123.04436	1.8
125.02319	5.1
126.05480	1.3
128.56354	0.9
137.39491	1.2
138.05466	4.8
142.04980	3.4
143.03400	6.6
147.04391	4.2
149.02246	1.1
149.06006	1.6
149.08296	1.7
151.03737	1.0
153.01819	100.0
153.02826	3.6
154.02182	3.9
166.04941	7.2
167.03392	4.0
184.06068	2.0
191.03362	3.0
194.04514	8.4
195.02911	1.4
195.93286	1.0
208.09848	1.3
212.05621	7.6
236.82831	1.2
247.06020	8.3
259.05911	1.8
270.12939	1.2
298.09128	4.7
316.10382	1.5
319.08084	9.4
363.06955	3.5
409.07608	1.9
468.10861	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60412	0.9
55.05511	12.8
57.03428	2.3
57.07073	36.6
57.25042	0.9
59.04993	4.2
65.03923	2.0
67.05502	100.0
69.07057	7.1
69.07670	1.0
71.04979	3.0
71.08628	24.7
79.05471	2.7
81.07053	29.5
83.08617	13.6
83.50519	0.8
85.06537	2.2
85.10178	13.5
91.05479	5.1
93.07050	3.9
95.08603	24.3
97.10147	4.9
105.06994	0.9
106.92191	0.8
107.08595	2.1
109.10152	77.1
110.10511	1.0
111.08073	2.3
111.11710	1.1
119.08576	5.8
123.11707	3.1
137.09602	3.0
137.13225	2.8
151.00060	0.8
155.10657	2.3
173.11736	27.1
215.42366	0.9
221.22737	1.3
237.48827	0.9
239.23714	9.9
315.10785	1.0
358.72995	0.9
467.37320	73.9
468.37659	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	467.1888
Annotation	Trp Asp Phe
Peak:m/z	Relative Intensity
56.96561	0.4
57.69384	0.4
60.04520	0.4
64.11623	0.4
67.05508	0.4
69.03384	0.5
70.05920	1.3
72.26798	0.4
85.02888	1.7
91.05500	0.6
95.04913	0.5
97.02891	1.0
109.02837	0.4
115.15076	0.3
120.08066	0.5
121.02865	0.6
123.04433	3.6
124.04804	0.5
127.03928	0.6
130.05003	0.9
133.02841	1.1
137.02333	0.7
137.05911	0.5
139.03889	1.2
143.03438	0.5
146.99512	0.4
147.04442	0.5
149.02296	2.2
151.03957	0.6
153.01823	9.7
153.02849	0.4
153.05394	0.7
163.03877	0.5
167.03304	0.5
171.05138	0.6
195.02910	1.4
203.05272	0.4
231.06540	1.4
237.02795	0.4
239.26796	0.4
255.06726	0.4
259.05978	2.5
279.14334	2.9
287.05536	1.8
287.12442	2.1
297.06216	0.4
297.15448	1.6
303.05051	0.5
305.06467	2.9
305.12244	0.5
315.49457	0.4
323.10260	0.4
323.13419	2.2
347.13361	2.5
365.14529	2.2
391.30911	0.4
449.17520	2.2
467.18866	100.0
468.11487	0.4
468.19150	2.2
482.18835	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.6
51.02371	0.6
53.03950	0.9
55.05498	1.5
56.96560	1.9
57.03426	1.8
58.99591	3.4
61.02922	1.1
65.03935	0.7
67.05493	2.0
67.72979	0.6
68.99783	1.0
69.03421	6.4
69.07063	2.8
70.06585	19.8
71.01340	0.6
71.04981	1.7
71.60236	0.8
71.60648	0.8
72.08133	1.0
73.02911	4.8
73.56048	0.8
74.03265	0.8
74.14072	0.7
79.01839	5.0
79.05514	0.9
81.03402	3.2
81.07062	3.9
84.19665	0.7
85.02904	3.3
86.99033	1.1
91.05481	1.1
93.01338	0.7
93.07030	2.2
95.04971	1.1
95.08594	2.9
97.02885	2.6
98.97569	2.3
99.04452	1.6
100.53106	0.7
103.05479	0.8
105.07040	0.9
107.01313	0.9
107.08601	1.9
107.43234	0.6
109.02863	2.5
109.10147	2.3
111.00761	1.1
116.01677	2.4
116.98615	2.5
117.07044	0.6
119.08605	0.9
120.08100	10.1
121.02852	4.2
123.04392	2.0
125.02361	3.0
127.03940	2.2
131.08565	0.8
134.99640	1.5
135.04369	1.7
135.11693	1.1
137.02336	3.7
137.05980	2.2
138.02638	1.0
139.02905	1.2
139.03903	2.6
143.03377	6.0
145.07570	1.3
147.04387	2.6
147.09142	10.1
151.03928	1.0
151.11150	0.7
153.01817	77.8
153.02785	3.3
154.02176	4.2
155.02348	0.8
156.94763	0.6
158.99646	1.1
159.09158	3.9
163.03920	1.5
163.08653	3.0
165.01852	2.4
165.05508	0.6
166.02228	1.0
167.02274	0.7
171.02896	1.6
172.08678	9.1
175.08755	4.0
177.00700	1.3
183.02905	0.8
185.09448	3.0
185.10835	1.6
186.10263	0.9
189.04768	4.7
190.05524	3.3
191.03401	1.6
191.08150	6.4
198.10194	1.6
201.05397	1.0
201.10103	0.8
202.05763	1.1
203.06195	0.9
215.05116	1.5
215.11781	0.9
217.13298	3.8
223.10826	2.1
229.04942	3.7
230.05417	2.7
230.07445	77.4
231.05635	2.5
231.08208	21.8
232.08984	3.9
233.08722	0.7
237.02809	0.9
241.10864	1.4
243.11258	0.8
245.12816	4.9
246.06870	0.7
248.08475	4.0
254.13521	0.8
257.04382	1.7
258.04709	1.4
259.05063	2.4
263.14029	3.8
272.14597	2.9
272.64789	0.9
276.05368	1.2
276.07901	3.8
279.13345	2.5
281.15128	5.8
281.65396	1.6
286.04138	1.1
287.05310	2.9
287.09293	3.7
288.05792	0.8
289.11676	4.8
297.05875	1.2
303.04962	37.8
304.01788	1.4
304.05301	36.2
305.05508	78.1
306.05936	1.4
320.15973	3.1
333.10126	23.9
334.10410	0.7
346.12350	1.4
361.02332	1.9
364.13303	7.9
365.14093	1.1
368.22086	0.9
377.01770	3.0
377.22418	3.2
377.72699	0.8
378.02310	0.8
379.03323	1.2
392.12772	1.7
395.02899	1.3
410.13846	1.1
411.16959	1.3
467.15976	100.0
468.16199	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	467.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.8
69.03425	3.9
69.87422	0.7
70.79700	1.0
70.80048	2.0
72.96920	0.8
79.01839	3.1
81.03396	3.7
85.02898	5.1
97.02881	2.4
99.62383	0.7
107.01284	1.1
109.02879	3.0
118.97471	0.9
121.77820	0.8
125.02338	3.5
127.03911	8.7
143.03392	5.0
143.72180	0.8
151.98166	0.9
153.01819	100.0
153.02847	3.5
154.02127	1.1
171.02870	11.0
215.54332	0.9
219.35992	0.9
297.05908	3.0
315.07031	11.2
416.76917	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1559
Annotation	Catechin-4-ol 3'-methyl ether 3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
51.02366	1.3
53.03939	2.6
55.01874	2.9
55.05494	1.0
56.21878	1.0
56.96574	1.2
57.03433	3.2
61.02920	3.7
65.03928	1.5
67.05499	2.9
68.99789	3.5
69.03429	13.5
69.72969	6.6
70.06581	1.5
71.04994	1.5
73.02894	1.3
79.01859	5.3
79.05495	4.5
81.03423	9.7
81.07053	1.9
81.97487	0.9
85.02907	28.9
86.03248	1.6
86.09684	1.4
87.04475	1.8
91.03952	1.2
91.05466	1.7
94.04189	1.5
95.04967	5.3
96.08133	3.3
97.02890	10.2
97.06512	2.7
98.03109	0.9
98.97537	0.9
99.04462	2.1
100.07621	1.1
107.01343	1.1
107.04939	1.1
107.55255	0.9
109.02894	4.0
109.06551	1.8
111.04463	1.9
112.22860	1.1
115.03927	1.2
119.04940	3.2
121.02888	2.1
123.04430	26.2
125.02338	4.7
125.05950	1.8
127.03899	9.1
131.04904	1.3
135.04424	2.7
137.02370	2.9
137.05940	3.0
138.02652	1.8
139.02878	1.0
139.03903	1.9
141.05481	4.3
143.03374	8.3
145.04971	3.0
147.04401	14.2
151.03900	1.0
153.01831	96.5
153.05457	100.0
154.02133	2.2
155.02243	1.2
163.03934	3.2
165.01833	2.3
165.05475	20.2
167.07022	1.0
171.02878	5.0
177.05478	1.1
179.03406	1.1
182.15536	1.1
183.06595	1.1
187.03726	1.1
201.05457	2.4
202.05743	1.0
209.40128	1.0
210.14856	2.5
214.03401	0.9
229.04970	3.7
230.05304	2.6
231.05536	2.6
233.04819	1.1
241.13451	2.1
257.04446	2.2
259.67841	1.0
269.12881	4.7
276.05453	1.1
287.09232	2.2
287.13879	3.7
297.06058	4.5
303.01538	2.1
303.04971	37.6
303.08325	2.0
304.05313	32.9
305.05542	76.6
305.10022	3.8
305.14978	3.4
306.05948	1.5
315.07224	2.8
335.07715	1.8
354.23929	2.1
391.89603	1.1
449.30902	2.9
467.15164	25.5
467.25470	1.1
467.32321	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1338
Annotation	Silandrin
Peak:m/z	Relative Intensity
53.03948	2.1
55.05495	1.7
56.96568	1.8
64.80564	1.6
65.03931	2.4
67.01871	11.8
67.05499	7.1
68.99794	9.2
69.03433	4.6
70.90581	3.3
70.90906	1.6
79.05498	6.3
81.03413	4.5
81.07068	7.1
83.08618	3.1
87.93775	1.6
91.05486	9.4
91.05943	1.4
93.07054	6.4
95.04978	3.4
95.08624	4.2
97.02875	2.5
97.06511	1.9
103.05466	7.1
105.07030	5.1
107.04945	2.6
109.06519	1.9
109.10172	3.2
111.00809	3.1
119.04945	8.7
119.08615	1.7
121.06537	3.7
123.04434	4.4
124.05216	5.7
125.02374	2.1
127.03964	2.6
130.04141	5.7
131.04015	2.7
131.04933	29.6
133.02901	9.5
133.06438	3.5
133.10146	1.8
135.04407	6.8
137.05978	26.0
137.06943	2.9
145.02901	1.9
147.04427	19.2
147.11739	2.2
149.05988	8.4
150.06763	7.3
151.03937	3.1
151.07530	2.8
152.08365	2.8
153.01830	100.0
159.04460	3.9
161.05919	7.9
162.06778	17.2
163.03914	5.0
163.07532	31.1
171.02885	66.2
175.03929	3.3
177.05469	4.3
179.01820	2.5
179.03398	47.3
179.06958	2.8
180.07838	11.5
184.46260	1.6
187.03912	4.8
201.05461	4.4
203.03394	14.5
203.06914	1.8
207.07964	2.6
213.05450	3.4
241.04999	2.5
251.06863	1.6
259.05905	5.5
269.04529	5.8
285.11023	3.2
287.05450	16.1
291.06577	1.9
313.07071	8.9
315.12198	2.7
323.09143	2.1
341.10187	3.4
437.12268	6.8
449.12515	3.2
467.13242	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.135
Annotation	Silyhermin
Peak:m/z	Relative Intensity
50.38762	1.2
54.64653	1.3
55.01867	1.4
55.05507	4.6
57.03429	2.7
67.01865	8.2
67.05508	7.9
68.99783	6.8
69.03426	3.4
69.07059	2.8
71.04987	1.1
71.60317	1.9
79.05478	5.9
80.05854	1.1
81.03416	4.1
81.07051	8.0
83.08618	2.5
85.02874	2.4
91.05473	9.9
92.05778	1.4
93.07039	4.7
94.07373	1.2
95.04974	4.4
95.08598	2.7
97.02900	2.3
97.06528	1.6
99.04443	1.2
102.04697	3.9
102.59274	1.2
103.05482	3.2
105.07051	4.5
107.04954	2.5
107.08589	2.8
109.06493	1.5
109.10171	1.4
111.00835	2.6
111.04488	1.5
115.05434	1.5
117.07023	1.9
119.04958	6.3
119.08602	1.4
123.04443	5.2
124.05190	1.7
127.03928	1.6
129.06964	1.5
130.04152	10.0
131.04907	11.5
133.02861	3.2
133.06483	3.9
135.04398	3.0
135.11726	2.2
136.12025	1.5
137.05954	15.4
145.10136	2.4
146.03563	3.4
147.04410	23.3
149.05956	4.4
150.06776	4.9
151.03914	3.0
151.07452	1.2
153.01822	100.0
159.04405	2.2
161.05969	12.4
161.27420	1.2
162.06746	50.9
163.03938	2.3
163.07573	6.7
164.04710	4.7
171.02884	46.7
175.03885	2.1
176.11633	1.5
177.05414	3.5
179.03381	26.9
179.07025	2.1
180.07758	5.8
187.03961	1.7
193.12247	2.2
203.03395	3.4
211.13242	2.1
212.13643	1.4
213.05540	2.3
241.04851	1.6
259.06006	3.2
265.08636	1.6
281.08136	2.2
283.06067	2.1
287.05487	5.4
297.11148	2.5
313.07059	6.4
323.09195	4.3
325.07047	2.6
333.04910	1.5
341.09976	1.7
343.07947	3.7
417.09659	2.1
437.12280	5.8
449.12030	3.3
466.29266	2.1
467.13373	16.4
467.29697	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	467.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	22.0
57.01575	2.4
57.03449	3.7
69.03430	4.6
70.55127	9.8
71.05013	3.3
81.03442	3.3
83.01320	2.6
84.96040	3.7
85.02892	10.6
97.02885	7.8
98.97593	23.1
101.00890	7.1
103.02423	5.5
110.97575	3.6
112.99223	3.6
115.02435	8.5
116.98628	24.7
119.01914	35.2
121.03477	4.9
124.95628	2.7
127.03899	3.9
128.98610	5.6
129.03969	5.4
131.00217	6.6
131.01897	20.3
133.03453	30.8
134.99675	10.5
135.05013	4.5
135.11070	2.5
136.06201	7.0
137.02986	5.5
143.01907	8.6
144.99924	3.6
145.03487	11.6
146.99626	7.6
147.01437	4.2
147.03320	4.6
147.05019	10.1
149.01228	5.4
149.02960	8.3
151.04585	4.5
155.01894	11.9
157.03455	9.1
158.78419	3.0
158.99701	7.2
159.01346	3.2
159.05026	14.5
161.01561	3.8
161.02930	22.9
162.99130	3.8
163.04514	4.9
165.00748	5.3
165.06068	2.8
167.31001	2.5
168.99838	4.8
169.03506	2.8
171.05049	9.6
173.02986	25.4
175.04509	8.9
177.00827	12.2
177.02342	4.2
177.04453	6.1
177.06071	13.9
181.00145	4.6
183.05086	4.5
185.02914	4.7
187.00890	11.6
187.04466	5.7
189.00815	5.5
189.02470	9.5
189.04262	3.0
189.06062	6.4
191.04016	6.1
193.00226	3.6
193.03777	2.9
195.01740	4.5
195.05444	5.9
195.07181	7.1
197.02896	4.0
199.01152	9.6
201.02550	4.1
201.04353	6.5
201.06136	9.0
203.00369	2.8
203.04053	10.0
203.07751	3.0
205.03831	4.0
205.05574	3.1
206.98030	2.7
213.06058	3.2
215.00394	11.3
217.01880	12.7
219.01781	6.8
219.03679	4.6
219.07153	19.4
221.05080	23.7
222.80475	2.6
223.01213	3.7
225.06000	3.1
231.07129	26.0
233.08696	3.4
237.02769	18.3
239.00713	14.2
243.07121	3.1
245.01393	3.1
245.05087	11.4
247.03038	10.0
251.00723	8.6
255.07121	7.2
259.03116	4.4
261.08276	16.6
265.04074	10.2
269.01752	5.4
273.08328	3.1
275.02567	4.5
279.00278	5.3
279.09296	30.5
289.04004	5.6
291.09271	6.8
297.01373	3.2
305.03607	4.2
307.05048	7.3
307.08749	3.1
315.02054	8.1
321.10443	100.0
329.03839	3.9
333.02881	4.3
335.04626	3.0
339.10007	11.3
343.01340	5.6
345.02884	4.2
347.04428	5.5
361.02576	9.4
365.05368	3.2
375.04126	30.2
393.05127	19.4
435.09549	8.4
467.11887	6.4
467.17374	75.3
467.23425	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	466.301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39987	8.8
55.05502	12.2
60.00842	8.9
64.57798	10.1
67.05507	71.1
69.07043	22.0
71.04975	9.7
71.21651	26.6
72.87131	9.2
79.05480	40.1
81.07058	66.3
83.08612	18.3
83.21323	9.3
85.02897	20.8
91.05472	28.7
93.07037	36.6
95.04984	13.9
95.08590	54.2
97.02885	10.7
97.06519	19.7
97.10179	11.3
105.07059	16.4
107.08578	24.8
109.10126	41.1
117.07010	12.9
117.15076	9.2
119.03983	9.2
119.08581	21.4
121.10146	38.5
123.04429	9.7
123.11639	10.8
126.47809	9.5
133.10139	39.9
135.11716	47.7
137.05984	18.4
137.09598	12.7
147.11722	15.1
153.01860	23.8
215.17876	34.4
218.57346	10.0
233.18996	23.5
251.20052	95.1
269.21078	100.0
287.22159	33.2
304.05099	13.0
466.15286	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	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	5.4
56.96573	1.8
57.03435	5.4
57.07056	1.9
61.02924	3.1
67.05502	20.5
69.03419	3.1
69.07061	11.0
69.67299	10.9
71.04985	2.4
73.02916	3.7
79.05483	12.5
81.03439	1.5
81.07053	54.9
83.04971	4.8
83.08605	4.7
85.02901	6.1
85.06544	1.8
91.05481	9.8
93.07045	24.3
95.04948	3.6
95.08595	11.1
97.02904	3.5
97.06532	4.5
99.08090	2.5
105.07041	4.1
107.08568	12.6
109.10158	2.4
111.08111	3.0
115.04035	1.7
117.07013	3.6
121.10125	7.8
127.03957	1.8
131.04915	4.2
131.08583	2.8
133.10101	4.6
135.11685	6.7
137.02284	2.1
137.13248	3.8
138.06775	1.8
139.03987	1.6
139.52095	1.5
147.04405	2.4
149.13226	17.3
153.01825	7.5
159.11665	10.5
167.07077	2.0
177.12761	8.1
179.14349	2.5
192.07770	2.9
195.13727	7.3
205.62752	1.6
235.08205	1.6
244.09593	1.7
251.16454	3.4
259.08176	2.4
269.17468	100.0
270.17694	2.1
303.04788	1.7
304.05280	4.7
329.67319	1.6
381.78723	1.5
431.22675	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.05510	1.2
57.03437	6.0
57.07065	2.3
59.04994	1.6
60.04507	0.7
61.02919	0.9
67.05502	4.8
69.03425	20.9
69.07060	4.7
69.84075	1.5
69.84502	1.7
71.04974	0.5
73.02919	0.9
75.04472	1.5
79.05055	0.8
79.05492	9.2
81.03422	1.8
81.07053	100.0
82.07399	1.1
85.02898	17.7
87.04467	15.9
88.02580	0.5
89.41525	0.6
91.05422	0.9
93.07037	1.6
95.04935	0.7
95.08604	21.2
97.02885	18.5
99.04457	1.1
105.07071	0.7
107.08633	1.0
109.02925	0.8
109.10164	1.8
111.11715	0.6
115.03923	25.5
119.08611	0.6
121.10158	0.6
123.04479	0.7
123.11678	0.8
127.03920	2.6
133.04953	29.0
133.21330	0.6
135.11728	0.9
137.13242	21.0
145.04950	4.1
145.10098	0.6
147.11705	0.6
149.13235	0.8
150.07600	4.0
155.14296	0.6
163.06012	1.2
169.04968	0.7
177.12746	0.7
179.14436	0.8
241.07080	1.0
259.08203	1.5
269.17499	1.5
277.09055	1.1
293.65295	0.5
295.10388	1.1
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
53.03935	7.0
55.01868	4.3
55.05503	31.8
57.03436	14.1
57.07074	2.5
57.07679	2.1
65.03929	3.6
67.05498	100.0
68.05816	3.4
69.03412	4.4
69.07069	21.6
71.01350	2.0
71.04977	7.9
71.59518	2.4
71.59938	2.8
79.05483	79.3
80.05824	2.4
81.03408	15.0
81.07047	72.6
83.04977	22.7
83.08607	11.3
85.02889	4.5
85.06526	7.4
87.04449	2.9
91.05466	65.7
93.07037	72.1
94.07350	3.6
95.04959	45.9
95.08589	22.9
97.02903	3.3
97.06529	16.4
97.10173	13.6
99.08096	5.0
103.05450	2.2
105.07019	38.1
107.04946	9.6
107.08582	51.4
109.06530	12.4
109.10147	14.5
111.04433	3.1
111.08060	5.9
113.06017	2.6
117.06992	12.7
119.08569	23.8
121.06488	2.5
121.10120	15.4
123.08083	4.3
123.11668	6.0
125.09631	6.5
129.06975	10.3
131.08537	12.3
133.06496	3.2
133.10127	26.4
134.10420	2.9
135.08051	10.5
135.11682	54.0
137.09589	3.6
143.08481	3.5
145.10109	12.8
147.08041	3.0
147.11696	16.4
149.09602	9.4
149.13251	4.9
151.07523	2.6
151.11157	14.2
157.10114	10.1
159.11691	2.5
161.98155	2.1
163.11220	12.0
165.12738	10.4
175.11142	16.0
181.12221	12.3
191.64360	2.5
193.12233	25.3
211.13232	17.3
253.14359	2.5
255.16010	10.4
255.18263	2.7
267.09467	2.2
267.15814	9.2
303.05020	10.6
355.22696	2.5
373.23486	4.8
447.27448	7.9
465.28244	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.7
53.03911	6.1
55.01846	6.0
55.05508	36.7
55.05758	1.7
57.03433	22.3
57.07050	3.4
65.03905	5.0
67.05497	100.0
68.05800	3.1
69.03394	7.0
69.07064	26.6
70.06563	2.0
71.01334	4.6
71.04984	10.7
73.02879	2.7
74.06045	2.0
79.05485	94.6
80.05804	3.2
81.03414	58.4
81.07050	68.9
82.03690	2.0
82.07378	2.9
83.04538	2.1
83.04971	24.8
83.08143	2.4
83.08606	29.9
84.28223	1.9
85.02899	26.9
85.06520	6.4
91.05470	71.3
93.07033	87.7
94.07343	3.6
95.04957	55.2
95.08589	24.3
96.08943	2.0
97.02828	3.6
97.06509	18.0
97.10170	15.8
99.08043	6.1
105.06302	1.8
105.07021	35.3
107.04945	10.2
107.07867	3.0
107.08581	56.2
108.08881	2.9
109.06470	7.9
109.10154	12.8
111.04411	3.8
111.08112	12.9
111.08720	2.9
113.05948	3.1
117.07027	16.2
118.27438	2.0
119.07794	2.0
119.08576	26.8
121.06448	5.1
121.09454	1.7
121.10131	18.6
123.08022	4.0
123.11664	1.9
125.09579	7.9
129.06985	14.4
130.07732	2.9
131.08530	12.5
133.06473	4.4
133.10127	15.3
135.03400	2.0
135.08054	3.3
135.10693	3.7
135.11679	64.7
136.11995	2.0
137.09595	3.1
139.11136	2.3
142.07704	3.2
143.08577	3.5
145.10085	12.2
147.08040	2.9
147.11665	15.7
149.02229	6.9
149.09535	7.5
149.13203	4.0
150.13518	1.9
153.12704	3.0
157.10095	14.5
159.11609	5.4
163.11160	12.3
165.12636	3.5
173.13208	1.8
175.11189	13.8
177.12675	3.6
180.67970	1.9
181.12221	11.3
187.11041	2.2
189.11102	2.4
193.04848	7.0
193.12221	54.9
199.13109	1.8
208.41000	1.8
211.13281	62.1
215.14168	2.1
223.13092	2.3
237.07481	8.0
255.15820	5.9
256.26309	6.2
265.66833	2.0
267.15823	5.6
303.04727	3.2
329.21036	5.9
347.29880	1.9
355.22363	4.1
364.44769	2.0
373.23459	7.7
421.25934	2.2
447.26831	8.9
465.28201	77.2
466.31473	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	465.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.2
55.01854	6.3
55.05268	2.1
55.05510	35.4
56.96553	2.4
57.03434	26.9
57.07078	3.6
58.67081	1.9
60.45530	2.0
65.03909	6.3
67.05501	100.0
68.44473	2.2
69.03397	4.6
69.07065	29.6
71.01336	6.1
71.04987	12.4
79.05489	92.0
80.97907	1.9
81.03412	70.2
81.07051	79.3
82.07381	4.4
83.04972	26.0
83.08617	27.4
85.02903	35.7
85.06537	6.5
91.05475	75.0
91.51602	2.1
93.07037	96.2
93.07627	4.7
93.16664	2.1
95.04964	70.1
95.08601	27.7
97.02911	3.9
97.06519	18.9
97.10154	20.7
105.07015	36.5
106.07381	2.2
107.04942	15.0
107.08590	49.2
108.08881	3.0
109.06503	13.6
109.10159	14.4
111.08073	16.4
113.05987	5.5
115.05457	4.9
117.07039	12.8
117.60538	2.2
119.08574	35.0
121.06483	6.6
121.10123	17.2
123.08074	5.4
123.11714	2.2
125.09578	4.6
129.06989	12.7
131.08562	16.5
133.06430	3.9
133.10132	19.7
135.07997	5.6
135.11681	60.1
137.05931	2.4
137.09590	4.0
138.52792	2.1
141.07042	2.6
142.07762	2.4
145.10101	18.5
147.08049	5.7
147.11665	16.2
149.09584	8.5
149.13269	3.3
151.11169	2.6
153.01825	3.2
153.12740	3.6
157.10143	17.0
159.11755	3.5
161.09657	2.3
163.11197	13.6
165.12819	3.2
173.30933	2.0
175.11165	18.0
177.12639	3.1
181.12216	9.0
187.11163	4.0
193.12236	67.9
194.16335	2.3
196.57701	1.9
203.03386	2.1
205.11998	3.0
211.13271	82.9
223.08531	1.9
223.13371	4.0
229.14233	2.3
229.64316	2.5
242.05775	3.3
249.14957	3.6
255.15883	9.5
257.04422	24.5
258.05179	10.0
267.15894	5.7
285.03906	5.8
285.16904	3.0
286.04608	12.1
287.05475	7.8
303.04910	14.9
329.21103	8.3
347.22290	3.4
355.22598	4.7
373.23749	10.9
403.24576	2.8
421.25787	2.5
447.10577	7.6
447.27466	11.6
457.20038	2.0
465.11810	43.4
465.28455	93.1
466.12375	4.4
466.28387	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	465.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.9
55.05494	6.1
57.03428	5.7
61.02915	6.3
67.05495	14.2
69.03423	5.9
69.07049	9.0
71.04953	2.8
71.59451	2.5
71.59828	2.9
72.50816	2.7
79.05472	10.1
81.03410	3.4
81.07049	41.4
83.04966	6.4
83.08616	5.4
85.02885	12.2
85.06511	3.8
85.07639	2.5
87.04459	3.4
89.57463	2.6
90.49338	2.7
91.05470	19.4
92.41132	2.7
93.07043	14.1
95.04928	4.7
95.08579	8.2
97.02894	5.2
97.06512	5.3
99.08092	2.5
105.07015	21.9
106.85303	2.5
107.04939	10.5
107.08586	15.3
109.06509	12.1
109.10151	2.8
109.83996	3.0
111.04424	4.3
111.08035	4.4
113.45766	2.4
119.08570	16.9
121.06483	7.3
121.10174	15.5
123.04407	3.8
123.08078	3.7
123.11679	12.2
127.03899	3.8
133.10066	3.2
135.03505	2.5
135.08009	7.8
137.02321	5.0
137.05956	8.2
137.09573	3.2
139.07533	11.2
147.04376	7.5
147.08054	3.0
147.11682	42.1
149.05981	21.4
153.01807	8.4
155.07039	3.2
163.03943	2.9
163.07539	14.0
165.12767	20.7
167.07022	61.8
175.11104	4.3
191.07042	3.9
193.12260	3.4
201.05373	3.3
209.07997	3.3
221.31390	3.0
227.09146	7.9
229.05014	6.3
229.14291	6.4
241.05066	3.4
241.14021	2.4
257.04501	4.8
259.08115	3.8
267.15955	26.6
285.16922	84.3
287.05450	8.3
303.04895	100.0
304.05325	9.5
309.21555	2.6
394.14984	2.8
438.11932	3.3
465.13385	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	465.1181
Annotation	Isohydnocarpin
Peak:m/z	Relative Intensity
54.71406	0.8
55.05502	1.1
55.84783	0.8
57.03427	0.9
63.42708	0.8
67.05497	3.0
69.03403	1.8
69.07081	1.3
70.01612	4.7
79.05486	3.1
81.03420	1.1
81.07047	3.6
83.04958	0.8
85.02882	1.9
91.04937	0.8
91.05465	3.3
93.07059	2.3
95.04964	3.3
95.08603	1.8
97.02871	0.9
97.06527	4.3
100.57092	0.8
105.07048	2.4
107.04953	11.3
107.08611	1.4
107.61314	0.7
109.06525	2.0
109.10156	2.4
111.69426	0.9
115.05402	1.0
119.08556	1.8
121.06503	0.9
122.56290	0.9
123.04394	1.4
129.07002	1.1
131.08521	1.0
133.10139	0.9
135.11626	1.7
137.06006	3.3
145.02811	1.3
147.04431	2.4
149.06070	0.9
153.01823	16.4
154.02522	1.0
155.07045	1.1
159.11630	1.0
171.02951	1.1
179.07086	1.4
197.08131	2.6
198.04494	1.0
205.06561	1.1
206.07404	1.0
209.36105	0.9
227.07066	1.1
234.06952	1.2
235.07480	1.0
250.09575	1.3
251.07024	0.9
257.04507	1.8
258.05267	4.8
269.08185	1.0
271.05914	2.1
279.06747	1.1
286.04706	5.7
287.05508	2.4
295.05878	1.1
299.05545	1.6
300.06268	1.6
301.08173	1.0
303.04971	9.5
303.12183	4.0
311.05475	17.6
323.05505	1.4
341.08224	1.2
347.09155	2.5
357.07230	1.5
358.08356	1.6
359.09137	6.1
361.07043	3.7
363.08603	1.9
369.07642	0.9
373.23657	1.3
374.07556	1.4
375.08569	9.3
376.09378	5.4
385.07141	1.7
386.07813	5.9
387.08652	6.9
391.08356	1.8
397.06757	1.1
401.30884	0.8
403.08090	22.9
404.08838	3.8
405.06216	1.2
414.07330	2.5
415.08090	9.7
416.08960	2.5
419.07590	19.9
420.08453	9.8
431.07770	8.8
432.08380	62.0
433.08719	3.8
435.10730	46.8
435.16748	1.9
436.11017	2.7
447.10733	100.0
448.10880	4.8
465.11768	84.4
466.12042	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	465.1178
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
52.98901	0.4
57.21537	0.4
64.82397	0.4
67.05461	0.5
70.16128	0.8
70.16514	0.9
79.05476	0.6
80.84599	0.4
84.57209	0.5
89.77279	0.4
91.05482	2.1
93.07000	0.5
95.04920	0.5
96.51957	0.4
99.62857	0.4
101.31224	0.4
102.04647	1.6
103.05470	0.5
105.06990	1.1
107.04958	0.6
110.03629	1.0
115.05432	0.5
119.04903	1.3
122.44081	0.4
123.04408	0.7
124.05204	0.5
127.10797	0.4
130.04108	1.7
131.04919	0.6
133.06409	0.5
135.04349	0.7
136.05153	1.7
137.05931	1.8
142.63115	0.4
145.02809	0.5
146.03615	3.9
147.04425	3.5
148.05159	3.8
150.06711	0.5
153.01825	5.2
161.05971	3.4
162.06747	0.6
163.03886	1.1
203.03372	5.6
213.05479	0.9
229.04948	6.8
235.96352	0.4
241.04916	1.6
242.05710	15.3
253.04984	4.3
255.06534	0.6
257.04431	56.0
258.05200	24.2
269.04523	2.4
270.05182	2.8
271.06033	2.1
283.06030	0.8
285.03928	8.7
286.04700	35.7
287.05463	17.7
295.06046	0.6
297.03918	5.6
299.05423	2.5
299.60110	0.4
303.05042	0.5
327.05069	2.0
341.06607	1.2
359.09052	0.5
373.07056	0.8
375.08932	0.9
387.08737	0.9
389.06204	0.6
403.08005	1.9
404.08722	0.6
414.06967	0.4
415.07968	1.0
431.07623	0.5
432.08255	2.5
435.10678	4.0
447.10709	15.0
447.16931	0.7
465.11795	100.0
466.12100	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	465.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36966	0.3
53.03920	0.4
55.01853	0.8
55.05513	2.8
57.03410	1.1
67.05505	7.4
68.20020	0.3
69.07053	2.1
70.13199	0.3
70.42631	1.5
71.01325	0.4
71.04978	0.6
74.08577	0.4
79.05490	6.5
81.03416	2.9
81.07050	5.9
82.07312	0.5
83.04948	1.5
83.08587	1.2
85.02866	0.6
85.06541	0.6
89.03870	0.4
91.04954	0.5
91.05473	6.0
92.05809	0.6
93.06565	0.5
93.07050	5.0
94.07385	0.6
95.04964	4.4
95.08626	2.2
97.06506	1.4
97.10159	1.0
103.05447	0.4
105.07037	3.8
107.04907	1.3
107.08599	3.3
108.08965	0.5
109.06478	0.8
109.10107	1.2
110.03648	0.8
111.08070	0.5
111.78172	0.4
117.07001	1.2
119.04909	0.8
119.08539	1.6
121.06433	0.6
121.10127	1.2
123.04385	1.4
129.06985	1.3
131.08537	1.0
133.06467	0.5
133.10147	2.5
135.04376	1.0
135.08002	0.7
135.10814	0.4
135.11691	3.7
136.05173	1.2
137.05887	0.4
137.09567	0.5
138.06725	0.4
145.10139	0.8
146.03572	0.4
147.04396	1.0
147.11652	1.5
148.05188	0.9
149.05945	0.4
149.09598	0.8
149.13318	0.6
151.11174	1.7
153.01807	2.7
157.10123	1.0
161.05978	0.7
163.11224	0.9
165.12651	0.8
166.06215	0.8
175.11160	1.2
181.12256	0.7
193.12167	1.9
201.05348	0.4
203.03372	7.1
211.13287	1.4
229.04953	6.8
241.04919	1.4
242.05681	3.5
253.04773	0.6
255.15843	1.3
257.04437	96.3
258.05081	4.8
267.15833	0.9
269.04382	0.8
270.05289	0.9
271.05997	0.6
285.03958	5.0
286.04715	8.8
287.05499	9.8
288.05780	0.5
297.03958	6.3
299.05460	0.8
303.05154	2.0
375.08746	0.8
391.08212	1.1
403.08197	1.9
410.94641	0.6
432.08298	1.5
435.10638	5.4
447.10693	2.6
447.27298	1.4
465.11816	100.0
465.28296	4.7
466.12042	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	465.1023
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03938	0.1
55.01862	0.3
56.96544	0.1
57.03422	0.1
57.34386	0.1
59.32876	0.1
60.40800	0.1
61.02917	0.1
65.03939	0.4
67.01862	0.1
67.05506	0.2
68.99778	0.9
69.03415	0.3
69.45839	0.5
69.46262	0.3
70.06599	0.1
79.01852	0.1
81.03384	0.4
81.07030	0.1
85.02889	0.4
91.05461	0.1
93.03391	0.3
95.04962	0.4
97.02872	0.3
98.21508	0.1
98.97603	0.1
99.04470	0.1
103.05454	0.1
105.03372	0.1
107.01305	0.1
107.04927	0.2
109.02871	0.7
111.00795	1.3
111.04427	0.2
116.98647	0.1
119.04982	0.1
121.02868	1.5
121.06516	0.1
123.04418	3.1
126.30178	0.1
127.03886	0.8
128.14117	0.1
131.04872	0.1
133.02855	0.2
134.39790	0.1
135.04425	0.4
137.02324	4.2
137.03265	0.2
137.05957	0.2
139.03879	1.0
141.63994	0.1
143.03395	0.1
143.04869	0.1
145.06479	0.2
147.00793	0.1
147.04378	0.2
149.02318	0.7
153.01814	5.4
155.04900	0.2
161.05962	0.3
163.03882	1.2
165.00511	0.2
165.01828	2.5
166.02625	0.4
167.03433	0.3
171.02910	0.1
173.05960	0.8
177.01872	0.5
177.05470	0.2
179.03334	0.3
179.81282	0.1
183.02879	1.2
183.04456	0.3
187.03899	0.5
191.03394	0.5
194.02147	0.1
195.02907	0.4
201.05443	2.5
205.04944	0.5
207.02939	0.2
211.03960	0.2
213.05525	0.2
215.03349	0.2
217.05025	0.1
219.02925	0.5
219.06522	0.5
221.04518	0.1
223.02332	0.3
226.98700	0.5
228.04205	0.3
229.04950	6.0
233.04445	0.2
239.03348	0.3
244.99635	0.4
245.04431	0.2
246.05232	0.1
247.06026	0.9
257.04422	3.4
258.05078	0.1
261.03894	0.1
261.09964	0.1
263.00760	0.4
271.05960	0.7
272.06641	0.4
273.07513	0.1
274.04697	1.0
275.05539	0.3
279.05051	0.5
285.03909	1.6
295.04538	0.1
297.06018	0.3
303.04962	100.0
304.05322	1.0
325.05505	0.5
345.06348	0.1
352.98807	0.1
391.03378	0.1
465.03305	0.3
465.10132	0.5
465.19681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1024
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
56.96551	0.3
61.74846	0.2
65.03947	0.3
68.99778	0.8
69.03412	0.4
69.98798	1.0
72.72439	0.2
79.01797	0.2
81.03394	0.4
84.16010	0.2
85.02879	0.5
91.05431	0.2
93.03409	0.3
95.04959	0.5
97.02855	0.2
98.20864	0.2
107.04903	0.3
109.02859	0.5
111.00812	1.2
111.04443	0.2
119.04932	0.2
121.02854	1.4
123.04434	1.2
127.03886	0.6
133.02815	0.3
134.99495	0.2
135.04501	0.4
137.02319	4.4
139.03923	0.3
145.06473	0.3
147.04312	0.3
149.02295	0.8
153.01802	6.8
154.02106	0.4
155.04874	0.4
161.05894	0.3
163.03918	1.0
165.01833	2.5
166.02675	0.2
173.05946	0.6
177.01884	0.3
177.05457	0.2
183.02866	1.0
183.04446	0.4
187.03923	0.5
191.03447	0.3
195.03006	0.3
196.10014	0.3
201.05450	2.2
205.04900	0.5
206.08202	0.3
207.02850	0.2
213.05357	0.2
219.02963	0.3
219.06531	0.3
226.98581	0.4
228.04201	0.2
229.04922	5.6
233.04306	0.2
237.02698	0.2
239.11607	0.3
244.99709	0.3
247.05994	0.9
257.04419	3.2
263.00684	0.2
267.11270	0.5
271.05856	0.3
274.04660	1.0
275.05450	0.2
285.03983	1.5
285.12335	0.6
297.05957	0.2
303.04956	100.0
304.05273	1.5
345.12424	0.2
389.02301	0.3
465.03659	0.3
465.10312	0.5
465.19897	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01876	0.2
62.06084	0.1
65.03931	0.2
67.01857	0.1
67.05489	0.2
68.99787	0.8
69.03400	0.2
71.04974	0.2
71.58217	0.1
71.58571	0.1
81.03407	0.4
85.02886	0.4
87.14475	0.1
91.05490	0.1
93.03400	0.4
95.04961	0.4
97.02883	0.1
103.40331	0.1
105.03413	0.1
107.04922	0.2
109.02885	0.6
111.00801	1.1
111.04376	0.1
112.60430	0.1
117.07014	0.1
121.02862	1.1
123.04424	0.3
127.03933	0.3
131.04927	0.1
133.06497	0.1
135.04411	0.3
137.02339	4.0
137.03314	0.1
145.02794	0.1
145.06482	0.2
147.04353	0.1
149.02370	0.4
149.05946	0.1
151.03937	0.1
153.01820	5.0
155.04904	0.3
156.10191	0.4
157.10538	0.1
159.04471	0.1
161.05968	0.4
163.03903	0.8
165.01828	2.6
166.02664	0.3
168.91002	0.1
171.02890	0.1
171.04201	0.1
173.05992	0.6
175.03731	0.1
177.05463	0.2
179.03307	0.2
181.04884	0.1
183.02881	1.1
183.04411	0.3
187.03909	0.4
189.05528	0.1
191.03416	0.3
195.02884	0.3
201.05464	2.5
205.04982	0.2
207.02921	0.1
211.03957	0.2
213.05513	0.1
215.03435	0.1
219.02921	0.2
219.06575	0.3
228.04178	0.2
229.04955	5.8
232.03664	0.1
239.03375	0.2
245.04417	0.1
247.06009	0.9
257.04434	3.5
274.04749	1.0
275.05432	0.2
285.03922	1.8
303.04974	100.0
304.05289	1.7
304.08627	0.1
345.14233	0.1
417.09872	0.1
465.10345	0.8
465.16345	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	465.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.2
58.39781	0.1
61.02917	0.2
62.28112	0.1
63.62847	0.1
64.27386	0.1
64.46892	0.1
68.99792	0.7
69.03414	0.3
70.92219	0.4
81.03387	0.4
83.34976	0.1
85.02898	1.0
88.36616	0.1
93.03394	0.3
94.61065	0.1
95.04942	0.4
97.02878	0.5
109.02879	0.4
111.00794	1.1
121.02864	1.1
123.04430	0.3
127.03893	0.5
131.04890	0.3
137.02339	3.3
137.03397	0.3
145.04942	0.3
145.06422	0.3
149.02347	0.3
153.01814	4.4
155.04803	0.1
161.05974	0.5
163.03900	0.7
165.01814	2.3
166.02687	0.3
173.05940	0.6
183.02878	0.9
183.04335	0.3
187.03897	0.3
194.02213	0.2
195.02875	0.2
201.05464	2.1
205.04921	0.3
207.10214	0.2
219.02843	0.2
219.06511	0.2
228.04193	0.3
229.04958	4.7
247.06062	0.9
257.04440	2.9
274.04736	0.9
285.03952	1.3
286.04639	0.2
302.04367	0.2
303.04965	100.0
304.05255	1.9
345.05875	0.2
459.51938	0.1
465.10245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
61.02922	5.9
68.99773	1.0
69.03429	1.1
69.99609	3.5
72.09821	0.6
73.02908	1.4
85.02907	6.3
91.03954	2.7
97.02905	3.6
111.00794	1.2
121.02869	1.4
127.03886	1.2
137.02347	5.7
145.05058	0.7
145.64833	0.6
153.01837	5.9
165.01842	2.8
181.04955	1.1
183.02998	0.8
190.53131	0.6
199.90607	0.6
201.05481	2.9
219.06590	0.9
229.04999	6.6
230.05185	0.8
257.04541	3.1
285.03958	1.7
303.04987	100.0
304.05246	0.9
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-glucopyranoside
Peak:m/z	Relative Intensity
55.01869	0.2
58.18693	0.1
65.03903	0.2
67.05480	0.1
68.99776	0.6
70.76987	0.3
73.02914	0.7
77.01201	0.1
81.03415	0.3
85.02879	0.2
86.64581	0.1
93.03385	0.3
94.50780	0.1
95.04976	0.2
97.18337	0.1
98.21508	0.1
105.21697	0.1
109.02861	0.5
111.00806	1.1
114.83095	0.1
121.02859	1.2
123.04436	0.2
127.03894	0.2
131.04926	0.1
135.04401	0.2
137.02332	3.3
137.03378	0.3
145.06526	0.3
149.02370	0.6
153.01816	4.7
155.04843	0.2
161.05994	0.3
163.03914	0.8
165.01814	2.3
166.02646	0.3
173.06015	0.4
179.03365	0.1
183.02878	0.9
183.04398	0.3
185.05957	0.1
187.03896	0.3
191.07019	0.1
195.02888	0.4
201.05470	2.3
205.04941	0.1
205.22318	0.1
207.02890	0.2
213.05345	0.1
215.03374	0.1
219.06488	0.3
228.04147	0.2
229.04950	5.2
233.04303	0.1
239.03561	0.2
247.05995	1.1
257.04446	3.0
274.04709	0.9
275.05515	0.2
285.03964	1.8
287.05472	0.6
303.04974	100.0
304.05341	1.0
372.32129	0.1
411.43338	0.1
465.10272	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	465.1026
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03944	0.4
55.01871	0.5
57.03430	0.5
61.02925	1.8
65.77277	0.2
68.99790	1.0
69.03422	2.6
71.04968	0.3
71.51545	0.3
73.02889	0.6
73.35921	0.2
81.03419	1.6
85.02898	7.4
91.03951	0.7
93.03407	0.3
97.02876	2.7
99.04477	0.3
109.02863	1.1
111.00803	1.0
121.02871	1.2
123.04398	0.5
127.03941	1.8
137.02338	4.5
145.04942	1.3
145.06227	0.2
149.02356	0.3
153.01810	5.2
155.04889	0.4
161.05951	0.6
163.03906	0.9
165.01845	2.4
166.02646	0.5
173.05991	0.7
174.48380	0.2
178.11687	0.2
183.02953	1.2
183.04292	0.3
195.02916	0.3
201.05478	2.3
211.03989	0.4
229.04962	5.7
247.06053	0.6
257.04471	3.1
269.30676	0.2
274.04715	0.8
275.05276	0.3
285.03891	1.9
303.04977	100.0
304.05313	1.6
315.04858	0.7
345.06094	0.6
447.09375	0.3
463.03052	0.3
465.10214	0.5
465.19238	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	464.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
54.72621	1.1
55.01859	1.2
55.05513	7.4
57.03436	11.0
59.04993	3.1
60.04507	1.5
61.02916	3.6
65.03934	1.3
67.05506	4.5
69.03427	37.1
69.07063	4.1
69.69267	4.7
69.69677	1.7
73.02914	5.1
75.04470	2.3
75.20266	1.0
79.05051	1.5
79.05490	19.4
81.03418	5.3
81.07051	6.4
83.04964	2.7
85.02904	34.8
87.04462	24.3
87.04964	1.9
88.86209	0.9
91.03950	2.1
91.05476	28.5
91.32520	0.9
93.07038	96.5
94.07844	1.4
95.04963	11.5
95.08607	2.6
97.02275	1.8
97.02886	29.3
97.03513	1.7
97.06538	2.3
98.20708	1.0
99.04475	1.6
103.05490	1.3
105.04501	1.3
105.07018	10.0
107.08589	100.0
108.08916	1.6
109.02876	1.3
109.06515	5.6
109.10155	2.1
115.03925	33.5
115.04741	1.7
117.03360	1.3
119.04939	1.6
119.06065	1.4
119.08578	2.7
121.06535	1.8
121.10125	6.0
123.04397	2.0
127.03908	5.0
133.04958	34.8
133.05968	1.7
133.10088	2.1
135.04417	3.4
135.11690	55.1
136.12042	1.3
137.05910	1.1
137.70932	0.9
145.02838	1.5
145.04955	3.8
145.10196	1.0
147.04420	2.3
148.04749	1.1
150.07643	10.2
159.11670	1.1
163.03882	15.2
167.03391	22.8
181.04933	4.6
182.05272	2.2
185.04417	6.9
193.04982	2.4
203.48633	0.9
245.94386	1.0
259.07950	1.8
275.05569	1.1
285.10062	1.8
301.07016	2.5
301.10660	1.8
302.07397	4.4
302.11014	4.1
303.05005	8.5
303.08618	31.5
304.05356	1.6
332.40872	0.9
362.60721	1.0
409.57614	1.1
437.12021	1.2
479.70175	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03934	0.5
55.01863	0.4
57.03416	0.6
61.02912	0.8
61.89621	0.2
65.03930	0.2
68.99780	0.8
69.03428	2.5
70.93372	0.4
70.93700	0.2
71.04980	0.4
73.02906	0.4
74.77954	0.1
75.82267	0.2
76.89725	0.2
81.03420	1.4
85.02903	6.5
85.03423	0.3
87.04466	0.2
91.03934	0.6
91.51416	0.2
93.03393	0.2
95.04964	0.5
97.02884	2.1
99.04425	0.5
107.04925	0.2
109.02880	1.1
111.00795	1.2
121.02843	1.2
123.04409	0.4
127.03912	1.5
135.04430	0.3
137.02338	4.2
145.04921	0.7
145.06555	0.3
149.02330	0.6
153.01819	5.2
155.04860	0.5
161.06015	0.3
163.03896	0.7
165.01816	2.5
166.02682	0.4
173.05972	0.6
177.01944	0.2
183.02878	1.0
183.04410	0.4
187.03891	0.3
191.03470	0.2
195.03043	0.3
201.05434	2.5
205.05022	0.2
207.02814	0.2
219.02762	0.2
219.06575	0.3
225.73494	0.2
228.04231	0.4
229.04956	5.4
239.03506	0.2
247.06033	0.9
257.04437	3.1
274.04678	0.8
275.05396	0.2
285.03894	1.5
303.04974	100.0
304.05304	1.3
309.92407	0.2
315.04990	0.4
319.04489	1.1
345.06033	0.5
377.59879	0.2
465.10449	0.9
486.98312	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66893	0.8
53.03937	3.5
55.01863	3.8
55.05507	17.4
56.96583	1.0
57.03429	6.6
57.07066	3.0
61.75280	1.0
65.03936	3.5
67.05500	76.4
69.03423	1.8
69.07064	26.3
71.01368	1.1
71.04988	5.5
73.02879	0.9
79.05489	54.9
81.03416	4.5
81.07051	100.0
83.04973	8.9
83.08612	17.8
85.02882	1.4
85.06532	5.6
91.05476	30.5
93.07037	71.4
95.04967	12.0
95.08604	23.2
97.06517	13.4
97.10174	3.0
99.04429	1.1
99.08097	3.8
105.04501	1.4
105.07026	11.9
107.05016	1.0
107.08588	38.9
109.06522	4.4
109.10131	4.6
111.08096	8.5
113.06010	1.2
113.09631	1.4
115.05434	1.0
117.07010	12.3
119.08590	3.8
121.06489	2.3
121.10130	21.7
123.11692	2.6
125.09602	1.4
129.07010	2.0
131.08554	14.3
133.10127	11.1
135.08057	2.9
135.11687	13.5
139.11172	1.8
144.09261	0.9
145.10152	1.1
147.11694	2.1
149.13248	49.0
151.11209	2.2
159.11685	19.0
167.14320	1.7
177.12769	8.9
195.13791	19.6
213.14873	2.9
219.13858	2.0
239.71896	1.0
269.17841	1.6
276.37952	1.0
353.24826	1.3
371.83453	0.9
463.30563	57.6
464.31134	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.05507	34.3
57.03430	12.0
57.07056	4.0
65.03922	5.6
67.05501	92.8
69.07059	34.4
69.56023	8.4
69.56433	19.7
70.15014	3.8
71.04981	4.1
78.19568	3.5
79.05485	65.5
81.03410	5.8
81.07049	100.0
83.04962	6.5
83.08620	18.5
85.02917	6.4
85.06541	7.0
91.05474	96.1
93.07038	79.1
95.04968	14.6
95.08610	50.3
97.02901	6.1
97.06503	9.7
97.10149	8.7
98.21515	6.5
103.05479	4.1
104.06208	3.6
105.07024	75.3
105.07679	7.2
107.04943	6.1
107.08591	39.1
109.06491	6.9
109.10143	17.2
111.08086	6.9
117.07011	38.3
119.08575	50.9
121.06499	12.6
121.10123	20.3
123.08112	5.4
123.11722	5.6
128.06229	8.1
129.07007	28.9
131.08553	73.8
131.09511	5.5
131.21053	3.5
133.06554	6.5
133.10092	31.2
135.08032	4.3
135.11696	11.7
137.09592	4.1
141.07013	8.7
142.07790	3.9
143.08588	24.6
145.06595	4.0
145.10127	36.0
147.08078	8.0
147.11655	7.4
149.13263	16.7
151.11185	4.0
153.07063	3.9
155.08589	11.4
157.10143	19.0
158.64807	3.2
159.11703	18.7
167.08598	8.8
169.10155	7.0
171.11707	15.1
173.13298	11.6
177.12668	4.3
181.10110	9.8
183.11740	5.8
184.23070	3.1
185.13234	5.9
187.14699	4.2
195.11728	8.1
197.13344	7.5
199.14705	5.0
209.13284	5.9
211.14780	6.2
213.12830	4.8
221.30070	3.8
223.14873	6.0
247.17026	6.4
259.16910	8.1
273.18643	4.7
285.10095	5.5
297.15469	4.2
299.91156	3.8
319.15109	4.0
325.25146	9.9
335.23642	9.9
343.26367	17.1
353.24719	38.3
371.25797	57.9
389.26749	45.9
427.28339	4.8
445.29501	79.0
463.30527	62.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93288	0.8
52.55117	0.9
53.03937	3.1
55.01861	2.9
55.05507	19.7
56.96559	2.4
57.03223	0.8
57.03439	9.2
57.07061	3.6
58.96007	0.8
61.02913	2.5
65.03931	3.5
67.05501	86.5
69.03419	1.8
69.07063	26.4
69.31445	9.9
71.01353	1.0
71.04992	7.5
71.08644	1.2
73.02887	2.4
73.74004	0.9
79.05488	53.2
81.03411	4.9
81.07053	100.0
83.04977	7.4
83.08614	17.9
85.02896	2.3
85.06544	4.5
91.05478	31.7
93.07039	75.6
94.07361	0.9
95.04964	10.7
95.08603	26.3
97.02875	3.2
97.06524	13.9
97.10172	2.2
99.04456	1.6
99.08096	4.3
105.04534	1.5
105.07030	14.0
107.04989	1.6
107.08588	36.5
109.06520	3.7
109.10122	5.0
111.08069	10.2
113.09640	1.9
117.07011	11.7
119.08572	5.1
121.06507	3.4
121.10130	22.1
123.08094	1.6
123.11691	2.2
129.07010	2.4
130.84111	1.1
131.08565	15.5
133.10149	9.8
135.08037	2.3
135.11687	10.9
139.11200	2.2
143.08557	1.1
145.10091	1.2
147.08076	0.9
147.11665	3.2
149.09595	1.6
149.13251	48.3
151.11111	1.3
159.11682	18.5
165.12735	1.0
167.14302	1.5
171.11551	0.9
177.12741	10.6
195.13795	15.4
213.14854	2.1
233.75960	1.0
243.09067	3.0
267.09076	3.2
285.10123	6.1
317.18021	1.1
324.11493	1.3
335.25876	1.0
349.15817	1.3
371.26108	1.4
389.26871	1.2
435.88626	0.9
445.29306	1.4
463.30530	65.7
464.30814	1.4
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
51.02373	1.1
53.03936	4.4
54.66422	1.2
55.01866	2.5
55.05511	18.6
56.96553	3.3
57.03434	8.8
57.07058	3.3
61.02921	2.3
65.03935	4.5
67.05501	87.7
69.03407	1.8
69.07065	28.6
69.91628	0.8
71.04994	5.8
73.02919	2.8
79.05489	52.2
81.03416	3.9
81.07052	100.0
83.04971	9.3
83.08133	1.4
83.08613	18.0
83.89120	0.8
85.02896	3.2
85.06546	6.6
91.03963	1.4
91.05476	30.0
93.07037	75.2
93.92519	0.9
95.04969	11.4
95.08597	28.9
97.02869	1.5
97.06521	15.6
97.10173	2.5
98.97578	1.0
99.08066	4.8
103.05453	0.9
105.04581	1.1
105.07023	13.4
107.04943	2.0
107.08584	40.0
107.68613	0.8
109.06528	4.4
109.10159	6.9
111.08078	9.8
113.09602	1.4
116.27706	1.0
117.07009	11.8
119.08569	4.6
121.06483	1.9
121.10134	23.1
123.08112	1.5
123.11708	3.3
125.09602	1.5
127.03885	1.1
128.06172	0.9
129.06982	0.9
131.08583	14.9
133.10110	13.2
135.08044	2.7
135.11693	11.6
139.11211	2.5
145.10094	1.1
147.11696	3.3
149.09694	1.8
149.13249	52.9
151.11185	1.6
159.11679	21.8
167.14336	1.4
177.12715	10.6
185.04840	1.0
195.13786	17.1
213.14851	4.1
219.14014	1.2
233.15306	1.3
243.08835	2.3
251.16423	1.7
267.08902	5.0
285.10046	11.9
286.10480	1.3
308.11667	1.5
324.11514	3.4
335.25998	1.2
343.26035	1.1
371.25815	1.1
389.27045	1.7
445.29715	2.7
449.64944	1.1
463.30566	74.5
464.30786	2.0
480.42676	0.9
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
51.02357	1.1
53.03932	3.7
55.01866	2.7
55.05507	17.7
57.03436	8.1
57.07062	3.7
59.04991	1.1
63.03008	1.0
65.03927	3.5
67.05501	82.9
69.07065	30.4
71.01344	1.3
71.04992	5.1
79.05487	56.7
81.03425	2.7
81.07053	100.0
83.04979	8.5
83.08618	19.4
85.02866	1.1
85.06538	6.4
86.23849	1.1
88.48897	0.9
91.04902	1.5
91.05470	28.6
93.07036	73.9
95.04975	9.0
95.08596	25.8
97.06522	13.7
97.10126	1.7
98.21616	2.0
99.08088	3.6
105.04503	1.3
105.07013	12.7
107.08586	45.5
109.06501	4.4
109.10138	4.5
109.15277	1.0
111.08073	10.6
111.11667	1.5
117.07003	11.0
119.08542	3.7
121.06515	1.4
121.10129	25.5
123.08067	1.5
123.11723	2.6
127.07541	1.2
131.08565	12.8
133.10132	10.6
135.08055	2.3
135.11687	11.0
139.11160	1.5
147.11694	2.4
148.92482	1.0
149.09555	1.2
149.13251	48.1
151.11143	1.1
159.11678	20.4
177.12750	10.6
195.13783	16.4
213.14848	3.1
227.12756	1.2
233.41618	1.1
445.29572	1.8
463.30515	66.6
464.29974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.305
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03943	5.3
55.01856	2.8
55.05508	17.2
57.03431	7.6
57.07066	2.6
57.39530	1.1
65.03926	3.0
66.86548	1.0
67.05500	73.7
69.07061	26.6
71.04994	5.2
73.02922	1.7
79.05486	53.1
80.08501	1.1
81.03416	2.1
81.07051	100.0
83.04981	8.2
83.08617	15.1
85.02913	1.1
85.06533	4.9
91.05478	28.7
93.07038	76.6
95.04964	9.8
95.08599	20.8
97.06530	12.0
97.10180	2.5
97.65022	1.1
99.04473	1.1
99.08089	5.1
105.04498	1.4
105.07021	11.5
107.04919	1.4
107.08588	39.6
108.81408	1.0
109.06520	3.9
109.10156	3.8
111.08062	8.0
113.09681	1.3
117.07008	9.9
119.08575	4.3
121.06503	2.0
121.10143	23.1
121.11010	1.5
123.08056	1.1
123.11711	2.9
131.08554	11.0
133.10138	10.4
135.08049	2.0
135.11668	11.9
139.11165	2.9
147.11664	3.1
149.13248	50.4
151.11162	1.1
159.11676	17.6
177.12721	9.5
195.13782	16.2
197.14102	1.1
213.14879	3.6
257.63907	1.2
291.04263	1.0
333.04129	1.0
402.50012	1.1
463.30521	64.7
464.30704	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02384	0.9
51.64873	0.8
53.03938	4.9
55.01869	3.5
55.05260	1.1
55.05511	17.4
57.03442	6.3
57.07075	2.2
58.91538	0.8
65.03938	3.5
67.05502	79.3
69.07066	24.6
69.59500	6.4
71.01334	1.1
71.04985	4.6
72.48240	0.9
73.02915	0.9
79.05489	56.7
81.03426	2.8
81.07054	100.0
82.07372	0.8
83.04977	7.5
83.08614	16.6
85.06548	3.7
91.04890	1.0
91.05475	29.7
93.07043	66.8
95.04969	10.1
95.08602	25.6
97.06532	12.5
97.10174	1.8
98.20774	1.8
99.08086	3.1
105.04506	1.1
105.07014	11.4
107.08594	40.5
109.06511	2.1
109.10125	4.8
111.08079	7.2
111.11703	1.0
115.05450	1.2
117.07020	9.9
119.08590	4.6
121.06531	2.6
121.10139	18.5
121.33321	1.0
121.48920	0.8
123.11716	4.0
129.07022	1.5
131.08571	12.9
133.10127	13.2
135.08038	1.3
135.11674	12.0
139.11191	1.6
141.06952	1.0
143.08488	0.9
144.09282	0.9
145.10141	1.5
147.11699	2.4
149.09639	1.4
149.13251	41.1
151.11208	1.6
158.05626	1.0
159.11700	17.7
167.14363	1.1
177.12759	9.2
183.11697	1.0
195.13794	21.3
195.15453	1.4
213.14912	2.1
251.16455	1.2
269.17554	1.5
327.84195	0.9
334.30240	0.8
343.26181	1.0
353.24698	1.9
371.25906	2.4
389.27005	1.2
445.29581	3.5
463.30563	64.6
464.30939	2.2
470.18771	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
51.92161	0.7
53.03936	5.3
55.01867	3.5
55.05508	18.3
57.03437	8.7
57.07067	3.3
65.03929	3.5
65.53288	0.8
67.05501	81.8
69.07066	26.8
69.40742	1.7
69.41077	8.6
71.01350	1.0
71.04986	6.3
73.02923	1.4
77.03884	0.9
77.24337	1.0
79.05487	53.7
79.86639	0.8
81.03411	2.9
81.07052	100.0
83.04980	8.5
83.08614	19.0
85.06532	6.7
90.28862	0.9
91.04900	0.8
91.05474	28.0
93.07039	68.9
95.04965	11.0
95.08599	26.1
97.06519	13.4
97.10145	2.4
99.04426	1.1
99.08066	4.6
105.04530	1.0
105.07018	10.2
107.04968	1.9
107.08591	38.2
109.06494	3.5
109.10125	4.1
111.08080	9.4
111.48596	0.9
113.06059	1.0
113.09593	1.4
117.07001	11.9
119.08583	4.0
121.06483	2.1
121.10140	24.9
123.11729	2.6
129.06949	1.1
131.08543	13.8
133.10107	11.1
135.08072	3.2
135.11687	11.4
139.11168	2.6
147.11700	2.1
149.09644	1.7
149.13248	50.6
151.11153	1.2
159.11699	21.4
165.12711	1.4
177.12737	11.9
183.27541	0.9
195.13806	18.5
213.14885	4.0
251.16466	1.1
269.17575	1.6
270.23654	0.9
318.83670	1.1
328.64252	0.9
371.25781	1.5
463.30533	68.7
464.31100	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3052
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03941	4.1
55.01863	4.5
55.05510	23.2
57.03439	8.3
57.07077	2.6
62.21427	1.0
63.29268	1.3
65.03944	4.0
67.05502	87.2
69.03435	1.2
69.07069	27.9
69.35522	6.5
69.35948	5.3
71.01374	1.3
71.04986	4.7
73.02926	1.7
79.05490	59.4
79.05954	3.0
81.03411	4.3
81.07054	100.0
83.04969	8.5
83.08620	16.7
85.02920	2.2
85.06539	5.9
91.05478	38.5
93.07043	75.6
95.04955	11.5
95.08604	27.5
97.06521	15.3
97.10175	2.6
99.08116	3.0
103.05427	1.4
105.04467	1.4
105.07027	20.0
107.04969	1.6
107.08592	44.2
109.06518	5.3
109.10174	5.7
111.08088	9.3
111.11669	1.2
117.07021	14.5
119.08579	11.3
121.06523	3.5
121.10143	23.7
121.11005	1.3
123.08083	1.4
123.11716	2.8
127.07597	1.5
129.07027	5.1
131.08571	21.2
133.10127	17.2
135.08035	3.5
135.11700	13.3
136.42815	1.2
141.06999	1.6
143.08572	5.5
145.10120	7.1
147.08043	1.3
147.11693	4.3
149.09694	1.5
149.13252	44.8
155.08482	1.4
157.10144	4.0
159.11681	19.4
161.09726	1.3
163.11223	1.4
165.12834	1.4
167.08542	1.9
169.10103	3.3
171.11667	2.4
177.12726	9.7
181.10188	1.8
183.11789	1.3
185.13329	1.7
195.11903	1.9
195.13788	17.7
203.14496	1.2
209.13359	1.3
213.07982	1.3
213.14853	3.0
231.09059	1.8
236.04480	1.2
269.10608	3.8
269.17487	1.4
287.11740	2.1
316.11819	2.4
325.25409	1.5
335.23672	1.8
343.26364	3.2
353.24731	8.3
371.25861	9.9
389.26962	9.1
445.29553	19.5
463.30573	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35675	1.8
53.03942	6.3
55.01865	6.2
55.05512	38.0
57.03438	14.9
62.28738	2.3
65.03930	6.2
67.05504	87.3
69.03429	3.2
69.06776	2.4
69.07073	30.3
69.88116	8.8
71.04987	7.6
73.02914	2.4
79.05492	78.1
81.03449	2.3
81.07056	95.3
83.04958	8.3
83.08628	17.9
85.06532	5.4
87.70191	2.0
91.05478	100.0
93.07039	81.7
95.04971	15.5
95.08607	54.2
97.06532	8.0
97.10151	7.1
105.07033	87.0
105.07757	4.0
107.04948	8.1
107.08596	41.3
109.06504	7.5
109.10155	18.8
110.70039	2.1
111.08077	7.4
115.05449	5.4
116.06246	2.4
117.07012	46.6
119.08575	55.7
121.06483	13.8
121.10143	27.5
123.08072	7.8
123.11692	2.3
128.06219	5.0
129.07004	32.7
130.07750	2.9
131.08568	74.2
133.06470	5.8
133.10130	35.5
135.08038	7.9
135.11717	14.3
137.09633	6.5
139.11197	2.8
141.07005	11.6
141.51491	2.4
143.08548	25.8
145.06496	4.2
145.10114	41.0
147.08026	8.6
147.11681	9.1
149.09653	8.5
149.13252	17.4
152.60197	2.0
155.08548	14.3
156.09344	2.9
157.10103	18.4
159.08090	4.1
159.11716	20.6
161.09634	4.2
161.13210	6.0
167.08641	5.1
169.10129	15.3
171.11658	14.1
173.09625	3.3
173.13257	7.7
175.11102	3.7
177.12747	5.8
181.10110	8.4
183.11743	11.0
185.13258	10.7
187.11130	3.3
187.14862	4.5
195.11700	5.5
195.13863	5.2
197.13246	12.5
199.11285	2.0
199.14847	5.2
201.12729	2.3
209.13228	7.3
211.14806	6.8
215.14381	4.1
215.18080	2.1
223.14870	5.2
225.16415	4.2
227.14261	2.6
229.15965	3.2
233.15334	4.0
235.14679	2.9
241.15918	4.1
245.15421	3.2
247.16882	6.2
251.85553	2.1
255.17390	3.4
259.17181	3.4
261.18335	3.2
269.10690	2.9
273.18488	6.6
325.25131	11.8
335.23672	10.4
343.26297	20.1
353.24698	52.2
371.25784	64.5
389.26883	59.1
415.84753	2.5
417.29593	3.7
427.28241	5.5
445.29462	80.1
455.40952	2.3
463.30597	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3054
Annotation	Verbacine
Peak:m/z	Relative Intensity
51.02373	1.2
53.03933	4.2
53.32204	1.1
54.50470	0.8
55.01863	3.2
55.05226	1.1
55.05506	19.5
57.03440	4.8
57.07061	3.0
59.04993	1.0
60.28816	1.0
64.22892	1.0
65.03938	3.3
67.05500	80.5
69.03436	1.4
69.06715	1.8
69.07065	23.0
71.04987	5.1
72.95806	0.9
77.03898	1.0
79.05489	50.5
81.03400	4.4
81.07054	100.0
83.04979	8.2
83.08614	17.1
85.06531	4.2
91.05478	33.0
93.07039	67.4
94.07385	1.0
95.04973	8.5
95.08600	28.3
97.06525	12.8
97.10184	2.1
98.21511	2.3
99.08087	3.3
99.68995	0.9
105.04556	1.2
105.07035	12.1
107.04955	1.7
107.08592	38.9
109.06509	3.6
109.10194	5.2
111.08096	8.2
113.05994	1.2
117.07010	12.6
119.08600	5.0
121.06494	3.4
121.09303	1.7
121.10143	22.0
123.08034	1.1
123.11723	2.5
129.07024	2.0
131.08557	14.6
133.10110	14.3
135.08051	2.1
135.11688	10.9
139.07507	1.1
139.11194	1.4
143.08492	1.3
145.10126	4.1
147.11707	2.9
149.09644	1.5
149.13254	40.6
151.11159	2.0
159.11713	16.1
177.12764	9.2
195.11961	1.7
195.13799	21.7
213.14944	2.6
229.68587	1.0
244.05165	1.0
247.17366	1.0
251.16481	1.7
269.10681	3.7
287.11691	3.0
301.21280	1.1
353.24838	2.7
355.62363	1.1
371.25613	3.5
389.26660	2.3
439.08774	1.0
445.29306	6.4
463.30499	67.5
464.31012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1598
Annotation	4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-glucoside
Peak:m/z	Relative Intensity
53.03939	0.4
55.01872	0.3
57.03427	1.5
57.43675	0.3
61.02913	0.9
61.39899	0.3
61.53584	0.2
63.36230	0.3
63.40012	0.3
65.03938	0.8
67.05502	3.0
68.99767	0.3
69.03430	3.8
70.61230	0.3
70.61553	0.6
71.04990	0.3
73.02907	0.7
79.05494	0.9
81.03423	1.6
81.60058	0.2
81.84355	0.2
83.01338	3.0
85.02902	14.8
86.56740	0.3
87.04462	0.4
91.03963	0.6
91.05476	3.6
95.04948	2.0
97.02886	3.6
97.06511	0.9
99.04460	0.7
101.02341	0.3
102.80397	0.3
103.03938	0.4
107.04951	3.4
109.02889	1.5
119.04938	10.5
121.02821	0.3
121.06509	0.8
123.04433	1.8
125.06006	0.8
127.03919	3.4
131.04926	0.4
133.06563	0.3
135.04414	0.3
139.03941	0.4
145.04974	1.6
147.04399	37.3
148.04729	0.5
153.05464	1.1
163.03915	1.0
179.03435	0.5
179.07053	1.2
181.04947	80.0
182.05249	0.9
189.05412	0.6
199.06012	8.4
201.83447	0.3
207.06525	2.1
259.09482	0.3
283.09439	0.4
301.10675	100.0
302.11047	2.4
343.11905	0.7
441.12805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40820	1.5
56.96562	3.2
57.03428	2.2
60.08575	1.3
61.02914	3.3
67.05508	1.8
69.03416	3.6
70.41711	5.0
71.04987	1.8
71.85693	1.4
73.02923	1.9
73.54772	1.5
81.03421	4.5
81.07087	1.9
85.02905	11.1
85.93147	1.2
91.05473	3.4
95.04984	1.6
95.08593	1.4
95.70032	1.4
97.02889	5.7
97.06540	2.1
101.02383	1.4
107.04958	4.3
107.08526	1.6
119.04943	13.6
127.03919	2.3
133.02840	2.1
147.04414	44.9
181.04953	83.2
199.06125	2.6
241.07813	1.8
259.08563	3.7
267.08926	3.2
269.16986	1.5
285.10107	4.4
301.07095	19.1
301.10721	100.0
302.10968	3.3
303.05048	2.3
311.10651	2.0
317.12793	2.0
324.11588	2.0
359.14865	1.9
375.07327	2.9
396.34616	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01866	0.6
55.99001	0.2
57.03427	1.2
61.02922	1.2
65.03934	0.7
67.05496	3.0
68.99788	0.4
69.03420	4.4
70.15469	0.5
70.15868	0.4
71.01357	0.3
71.04987	0.5
73.02908	0.6
78.80174	0.2
79.05481	1.1
81.03397	1.7
81.07034	0.6
83.00871	0.3
83.01330	2.6
85.02894	15.3
87.04456	0.6
91.03944	0.5
91.05470	4.1
93.06979	0.3
93.51481	0.2
95.04958	2.6
95.08599	0.2
97.02877	3.5
97.06498	0.9
99.04456	0.5
101.02362	0.2
103.03941	0.3
105.07018	0.3
107.04941	3.1
109.02858	1.5
111.04436	0.2
115.03902	0.3
117.06933	0.2
119.04926	11.1
120.08175	0.2
121.02834	0.6
121.06507	0.7
123.04401	1.9
125.05961	0.6
127.03908	2.8
131.04866	0.4
133.10173	0.2
135.04387	0.4
137.05968	0.3
139.03850	0.4
143.03410	0.3
145.04935	1.7
147.04391	39.6
148.04726	0.3
151.07552	0.6
153.05441	1.0
157.04907	0.3
161.05919	0.3
163.03918	1.0
171.04399	0.3
177.12646	0.2
179.03363	0.3
179.07007	0.9
181.04932	85.4
182.05284	0.7
189.05391	0.9
199.05997	9.4
207.06514	2.2
212.08093	0.2
259.09659	0.5
269.17523	0.4
283.09546	0.4
285.10095	0.4
301.10645	100.0
302.11029	1.9
303.04919	0.5
343.11670	1.0
463.15945	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1595
Annotation	4,2'-Dihydroxy-4',6'-dimethoxychalcone 4-glucoside
Peak:m/z	Relative Intensity
55.01878	0.3
56.42888	0.1
59.70680	0.1
65.03932	0.2
67.05492	0.4
68.99811	0.1
69.03416	0.2
69.61518	0.3
69.61916	0.9
79.05489	0.2
81.03394	0.3
83.01329	1.5
83.04966	0.4
85.02888	0.5
85.29234	0.1
87.43842	0.1
88.96115	0.1
91.05472	0.9
94.19044	0.1
95.04944	0.4
97.02892	0.2
97.06513	0.2
98.21458	0.3
107.04932	0.7
111.04431	0.3
119.04935	2.4
123.04420	0.4
125.05991	0.4
137.02351	0.2
138.03107	1.9
141.05466	0.2
145.22070	0.1
147.04402	8.2
151.03934	0.5
153.01862	0.4
153.05429	0.9
163.03911	0.2
166.02605	2.0
173.38754	0.1
174.93837	0.1
179.03329	0.2
179.07005	0.1
181.04947	100.0
182.05292	1.1
184.03662	4.7
199.05966	0.4
201.05516	0.1
212.08131	0.1
226.11076	0.1
259.09628	0.4
279.85037	0.1
301.10681	55.6
302.10995	1.3
303.04950	2.4
319.04520	0.2
380.93314	0.1
463.15936	6.7
464.16293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12617	0.2
55.01868	0.3
57.99036	0.2
68.99799	0.2
70.41844	0.2
71.13506	0.4
71.13834	0.2
79.46114	0.2
81.03374	0.3
82.07792	0.2
83.01338	1.6
83.04951	0.4
85.02873	0.4
91.05463	0.6
95.04993	0.4
97.33946	0.2
104.56377	0.2
107.04932	0.5
111.04448	0.4
119.04948	2.6
123.04425	0.2
125.05954	0.4
133.63234	0.2
138.03101	1.4
147.04404	8.2
151.03918	0.5
153.05486	0.5
159.80649	0.2
161.02921	0.2
166.02623	2.5
178.46167	0.2
181.04950	100.0
182.05334	1.2
184.03662	3.9
199.06004	0.4
225.48587	0.2
259.09622	0.4
301.10684	58.9
302.10980	1.4
303.05060	1.2
315.31769	0.2
463.10077	0.3
463.15948	8.3
464.16605	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
56.05008	0.9
56.96558	1.4
57.03417	0.5
58.99585	2.8
58.99825	0.6
68.05013	1.0
69.40862	1.2
69.41262	4.4
70.02958	4.5
72.93779	0.8
76.01888	0.5
76.02222	5.6
79.05502	1.1
79.78143	0.6
81.07057	3.8
83.06088	0.9
84.04472	3.6
85.01103	0.9
85.02874	2.2
86.00628	1.4
86.99019	2.1
87.02677	1.6
87.05564	2.4
88.03947	2.2
94.06505	0.6
95.04959	0.7
95.08589	1.3
97.02875	1.4
98.09682	2.1
99.04433	0.6
104.01689	1.3
107.04869	0.9
109.02892	0.7
111.00705	0.6
113.04168	1.8
114.03779	0.9
123.04430	0.9
123.08054	0.6
125.02286	0.7
127.03891	1.1
130.05006	1.1
130.06889	0.7
131.04747	0.6
133.06065	2.6
135.04396	1.0
137.05905	0.9
139.03835	1.2
139.05794	0.8
147.04321	1.1
148.04761	0.7
153.01816	9.6
156.08432	6.2
157.04716	3.2
157.06799	3.8
163.03799	1.0
174.02162	2.4
174.09462	4.3
185.04184	1.7
189.06076	1.1
196.09727	0.7
202.01663	3.7
203.05196	0.8
205.04723	3.6
210.11172	0.9
213.12427	1.2
215.06979	2.4
219.04395	2.7
224.94765	2.9
226.98537	2.3
227.05255	1.8
230.97992	0.7
234.98965	0.7
236.06920	1.5
242.95908	4.4
242.98022	1.0
244.99586	1.7
266.95782	0.7
267.08386	1.5
273.08621	2.0
278.10266	0.7
283.11270	1.3
285.09348	2.6
285.12463	1.4
287.07312	2.7
291.09155	0.8
299.10602	2.9
301.12650	3.6
313.12073	2.2
316.13235	20.9
319.09055	0.9
329.08435	7.9
331.13214	3.6
333.00562	0.6
333.10086	1.7
342.98965	1.0
347.09518	8.4
355.13495	2.1
361.10205	0.7
372.99966	2.3
385.08936	0.7
395.48944	0.6
400.99429	1.0
401.14371	4.4
403.99155	0.6
404.98544	0.6
417.13654	4.3
445.12805	1.1
463.14075	100.0
464.14633	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	463.1235
Annotation	6-Methoxykaempferol 3-rhamnoside
Peak:m/z	Relative Intensity
57.03439	3.0
57.21491	0.5
58.18507	0.4
67.20027	0.5
69.03433	0.6
70.53358	1.0
71.04993	17.9
72.07794	0.4
73.02917	0.5
75.04474	0.5
75.65985	0.4
75.77145	0.5
81.03381	0.4
83.01337	1.0
83.04977	0.4
85.02907	19.3
87.04472	0.6
121.02833	1.2
123.04410	0.6
129.05493	3.6
137.02361	3.3
167.03395	5.3
174.45692	0.5
179.03355	2.6
197.04449	1.0
197.06053	0.5
209.04451	0.5
215.07008	1.4
243.06512	4.0
271.05988	1.9
288.06323	0.9
299.05515	1.3
301.07062	8.7
317.06561	100.0
318.06989	2.3
329.06509	1.0
341.06613	1.2
359.07657	1.3
383.07422	0.7
427.10370	0.9
445.11252	1.1
463.12262	2.0
486.46637	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	3.4
66.23003	1.2
69.03407	1.4
71.51166	2.5
85.02899	2.3
97.02868	1.6
98.97576	2.2
116.98617	2.3
123.04425	1.3
129.87848	1.1
134.99669	2.8
136.07468	1.3
147.04382	3.3
153.01814	4.2
157.04706	3.9
161.01248	1.1
171.04993	1.8
172.95213	4.3
173.02950	1.5
176.03279	1.1
177.00679	1.7
181.04823	1.5
189.06038	2.1
190.96262	3.9
205.04686	2.3
210.29669	1.2
213.06273	1.5
214.80260	1.1
214.96251	1.1
219.01718	1.9
227.05191	1.3
237.02769	3.4
238.24652	1.1
239.02249	2.0
243.07018	1.6
257.03384	1.5
273.08200	1.9
278.38989	1.0
285.09488	1.5
319.09888	1.3
320.65530	1.1
329.08334	8.9
331.13547	1.3
333.10205	2.7
347.09344	9.3
355.13574	3.1
365.05219	3.3
401.14413	5.4
417.13574	11.0
445.12982	4.1
463.03091	3.0
463.14178	100.0
464.14600	3.9
481.03357	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1233
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
57.03427	1.1
59.06189	0.5
61.02924	6.3
68.99809	0.5
69.03419	1.3
69.56226	4.9
71.05003	2.8
73.02914	1.3
75.44875	0.5
83.01330	0.7
85.02904	8.5
91.03971	2.8
93.37782	0.5
97.02869	2.2
97.90396	0.5
98.21512	1.2
111.21577	0.6
113.05302	0.7
121.02860	3.9
123.04456	0.6
127.03860	0.9
129.05466	0.7
137.02280	0.7
147.04416	1.0
151.03900	0.8
167.03387	6.0
176.90549	0.6
179.03395	3.2
199.07396	0.6
212.55711	0.6
227.07028	1.4
245.07805	0.8
255.06548	1.1
272.06821	1.9
299.05377	1.2
301.07047	100.0
302.07339	4.0
303.04956	1.1
317.06531	15.1
318.06824	0.9
366.37967	0.7
435.87610	0.6
446.59042	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1232
Annotation	6-C-Methylkaempferol 3-glucoside
Peak:m/z	Relative Intensity
53.03932	0.6
55.01854	0.6
57.03425	0.8
61.02925	1.4
61.03176	0.3
68.94695	0.3
69.03421	3.2
70.69668	0.6
70.69989	0.3
71.04971	0.5
73.02888	0.4
75.37424	0.3
78.05010	0.3
81.03400	1.0
81.07037	0.3
83.01330	0.9
85.02420	0.6
85.02901	8.3
91.03922	0.4
92.89455	0.3
97.02871	2.2
99.04439	0.4
107.04923	0.5
109.02866	1.0
121.02845	3.5
123.04387	0.6
125.02361	0.4
127.03915	2.0
133.02826	0.4
145.04945	1.2
147.04401	1.0
151.03909	1.0
167.03389	4.6
178.38281	0.4
179.03391	2.6
197.04387	0.8
199.07454	0.8
227.06909	1.7
245.08022	0.5
255.06551	0.8
257.08112	0.4
272.06772	1.4
273.07455	0.3
299.05518	0.8
301.07043	100.0
301.73596	0.4
302.07394	3.0
303.04987	0.3
317.06558	0.7
476.33148	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.6
62.35299	0.4
63.55869	0.4
69.03426	1.1
71.32507	0.6
72.08093	0.6
75.61369	0.4
84.08136	1.0
85.02898	1.4
97.02893	1.5
101.00876	0.6
109.02894	0.7
119.01928	2.5
120.95405	1.0
125.82639	0.4
127.03879	0.5
131.01918	0.9
138.96432	0.6
143.01855	1.4
145.03447	1.0
145.04938	0.7
153.01816	0.7
155.01915	1.0
156.97469	7.4
157.03459	0.7
161.02924	2.7
167.01842	0.6
173.02969	2.3
174.98532	12.2
180.97438	7.5
181.04906	1.1
182.99040	0.8
185.02980	4.4
189.06090	0.4
197.03003	1.5
198.00066	0.6
198.98528	100.0
199.98660	1.9
201.00128	0.7
203.03957	1.3
210.98532	3.9
213.00044	1.5
215.03992	1.1
216.99580	46.8
217.99738	1.2
222.00124	1.9
222.98515	1.6
225.00081	1.0
227.04012	0.9
228.99554	8.0
234.98555	4.8
240.01122	1.0
240.99564	16.0
241.99678	0.7
243.01143	0.8
245.05090	6.4
246.03795	0.6
247.00632	2.3
252.99507	3.6
259.00641	14.5
259.03226	0.9
263.06119	0.6
264.99573	0.7
271.00656	1.7
273.08221	0.5
275.06241	0.7
277.01727	3.9
279.54337	0.4
283.00626	9.1
284.00912	0.6
293.07211	0.5
294.93222	0.5
301.01685	28.4
301.10742	1.2
302.01825	1.1
319.02728	9.8
333.10266	0.6
343.02829	1.5
379.10901	0.6
463.06949	5.4
463.14197	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	11.6
60.04519	21.8
62.06932	2.2
64.29035	2.0
69.03066	3.4
69.03423	41.8
69.57081	5.6
69.57505	11.9
72.08180	2.6
73.04480	2.2
74.06093	3.8
77.24284	2.5
79.05495	4.8
84.04486	3.3
84.52950	2.2
85.02903	31.6
86.09686	3.8
87.04462	23.9
91.05472	31.7
92.74773	2.3
94.06538	2.4
95.04948	6.2
97.02883	25.7
105.07032	10.6
106.06567	6.4
107.04951	45.7
109.06523	3.3
111.04396	3.1
115.03919	21.5
117.05741	4.2
118.06535	2.5
120.08093	31.4
121.06478	2.8
122.09686	4.4
123.04415	2.9
127.03874	3.3
127.22893	2.2
132.08080	64.5
132.43156	2.5
133.04944	20.4
133.06491	15.0
137.02403	2.3
139.03903	4.7
145.02818	5.0
145.04936	3.0
147.04424	3.9
149.06030	3.0
150.09137	100.0
151.03882	2.5
153.01831	5.5
168.10182	12.1
177.05455	9.5
220.05991	5.6
301.07062	7.6
312.14328	17.2
330.15506	4.1
445.29681	2.6
457.03561	2.4
462.13660	3.2
462.19830	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	462.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03979	1.8
54.41478	1.3
55.05511	3.3
56.96566	1.7
57.03436	3.4
61.02928	4.1
61.15537	1.2
67.05505	12.2
68.05833	1.6
69.03438	3.6
69.07056	2.6
71.00020	1.3
71.04964	2.4
71.26476	2.4
73.02911	1.7
79.05470	9.7
81.03398	7.6
81.07053	9.4
82.03745	2.1
83.04984	2.6
83.08612	3.4
85.02932	4.2
88.03997	2.8
91.03969	2.6
91.05480	11.3
93.07046	7.9
94.07370	2.4
95.04982	4.9
95.08620	4.2
97.02898	3.5
97.06541	2.6
99.08087	1.4
101.02467	1.4
103.05473	1.7
105.07005	6.8
106.07426	2.0
107.08600	3.9
109.06538	2.5
109.10180	4.9
109.87833	1.7
115.05480	2.7
117.07037	3.6
118.07381	1.4
119.08609	4.7
120.08942	1.4
121.06532	3.9
121.10168	3.3
121.60709	1.7
123.08064	3.2
125.05961	2.7
129.07014	3.4
131.04982	2.3
131.08586	6.2
133.06604	2.3
133.10161	1.7
135.02647	1.9
135.08060	4.8
137.06007	4.3
137.09624	4.1
141.07082	1.8
145.06621	1.7
147.08105	1.6
148.12021	1.7
149.00531	1.8
149.88712	1.5
150.06758	1.9
151.07611	1.4
155.80811	1.4
157.10130	3.2
161.05977	2.6
162.06862	2.8
163.02191	2.0
163.07570	7.1
165.00093	1.7
165.09140	4.3
169.03224	5.3
173.09619	1.7
175.07547	5.0
175.11081	1.9
178.00833	2.9
179.01738	1.4
181.08595	25.2
181.10158	1.8
182.09396	3.8
187.08296	1.4
191.07047	1.9
193.03218	19.8
193.12276	2.2
195.04767	1.6
195.10146	21.4
198.38196	1.4
205.03227	2.9
205.08578	1.8
207.04756	3.2
208.04271	3.9
211.13255	2.4
219.10126	1.8
239.05396	1.5
247.38356	1.4
248.03796	2.5
251.11237	4.4
254.04836	3.8
255.04744	1.8
265.08600	3.1
267.04782	3.8
267.15976	2.1
268.05563	1.9
269.12329	16.7
270.07272	2.0
271.04266	3.8
275.15430	1.5
280.06351	10.6
281.06384	4.0
283.04248	4.1
283.13889	3.4
284.04959	2.2
285.05933	1.9
285.10052	4.2
287.07233	1.8
295.04251	3.7
296.05035	1.9
297.05801	4.3
297.11148	2.9
298.06549	6.8
299.07425	6.1
301.14911	2.2
307.12076	2.0
309.05777	4.0
310.06647	5.1
311.03821	2.7
311.07391	10.5
312.04572	8.2
312.07932	2.8
313.08813	9.1
313.14377	2.0
315.10934	1.8
316.62796	2.3
325.09085	5.0
326.06165	8.1
327.06839	46.9
327.12296	4.2
328.07538	2.6
330.09366	1.8
331.15674	2.3
340.13080	2.1
341.08401	16.5
341.14023	3.4
342.09201	94.1
342.13913	3.2
343.06104	2.0
343.09775	6.1
343.15451	3.0
344.16202	10.2
345.11578	4.7
347.13196	1.6
352.23581	1.9
358.08499	2.8
359.09106	1.6
370.24713	5.4
373.11026	100.0
375.12564	17.3
388.25555	2.4
399.12515	7.1
412.18286	3.7
412.68781	2.5
416.15308	2.8
430.13181	1.7
444.28500	4.1
445.13315	4.8
462.15784	32.2
462.22055	2.7
462.29303	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2896
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03938	5.7
55.01860	6.3
55.05263	1.5
55.05511	21.8
56.85201	1.2
57.03432	6.5
58.45541	1.3
62.75798	1.2
65.03917	2.6
67.05499	48.0
69.03411	3.0
69.06783	1.3
69.07064	15.6
71.04979	4.0
71.05812	3.8
73.02897	1.4
79.05059	2.6
79.05488	38.5
81.03413	36.5
81.07049	43.8
83.04978	6.6
83.08611	15.1
85.06541	5.1
91.05473	40.0
93.07037	40.6
93.60045	1.5
95.04961	30.2
95.08603	18.1
97.06516	6.9
97.10159	11.5
99.04485	1.5
105.04440	1.6
105.07021	26.4
107.04935	9.1
107.08588	18.1
109.06483	6.7
109.10127	6.3
111.08070	6.8
115.05443	2.7
115.21864	1.2
117.07013	13.0
119.08575	16.4
121.06512	10.3
121.10152	12.6
121.83505	1.3
123.08086	3.7
125.09626	6.2
125.96561	1.4
128.06238	2.5
129.06987	13.5
131.04878	1.6
131.08562	21.2
133.06473	7.1
133.10120	9.6
135.08041	4.9
135.11685	6.1
137.05978	1.6
137.09598	1.8
139.07574	1.4
141.06931	3.6
142.07768	3.8
143.08533	7.6
145.06441	8.3
145.10100	8.2
147.08026	8.0
147.11681	7.2
149.09625	7.7
149.13237	14.9
155.08516	3.9
157.10138	9.3
159.08049	4.3
159.11682	9.5
161.09634	2.6
163.11188	2.7
167.08524	1.8
169.10101	3.3
171.08109	1.4
171.10234	1.3
171.11696	3.1
173.13239	2.8
175.11192	7.0
177.12714	6.1
181.10118	2.0
183.08101	1.4
183.11671	3.2
185.09630	2.6
185.13246	2.1
189.11237	5.2
189.16273	1.8
191.10503	1.6
193.12210	14.8
195.11867	1.8
195.13768	3.6
197.13292	2.0
199.14853	4.0
201.12762	1.8
205.12244	1.7
211.11166	1.5
213.12793	1.8
217.15811	6.7
219.13744	1.8
223.14964	1.8
227.12666	3.6
239.14297	2.6
243.13792	1.8
249.14827	2.6
251.16516	1.7
257.15375	2.2
271.16934	1.5
273.15002	1.5
317.73700	1.7
341.24911	2.8
343.22629	2.9
351.23245	7.9
361.23547	1.6
369.24188	21.3
387.25253	13.5
405.26514	2.8
417.26279	4.8
425.26804	2.9
426.91263	1.4
443.27835	22.5
444.28021	1.4
456.12622	1.4
461.28934	100.0
462.29221	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	461.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.8
52.70856	1.4
53.03941	12.6
55.01858	4.7
55.05507	31.3
55.69991	1.3
57.03432	10.4
57.07061	2.0
65.03933	4.1
67.05501	89.7
69.03430	2.9
69.07063	21.0
70.85055	2.4
70.85406	3.3
71.01344	2.4
71.04990	6.8
73.06556	1.6
77.03901	1.3
77.63370	1.4
79.05489	100.0
81.03416	22.4
81.07053	59.8
83.04982	19.2
83.08624	13.4
83.45903	1.5
84.02023	1.4
85.02904	2.3
85.06531	4.0
91.05474	71.5
93.07037	95.8
95.04965	36.5
95.08598	30.3
97.02911	2.0
97.06524	12.2
97.10162	10.6
99.08124	1.4
103.05482	2.5
105.04510	3.2
105.07024	38.6
107.04961	7.6
107.08586	42.0
109.06510	7.8
109.10177	8.3
111.08089	4.1
115.05420	1.7
117.07022	12.5
119.08562	24.3
121.06506	6.5
121.10118	11.2
123.08070	5.9
125.09618	3.3
127.07574	1.9
128.06238	2.7
129.06998	16.0
130.07745	1.9
131.08533	7.1
133.06471	1.8
133.10132	13.8
135.08083	2.2
135.11679	40.5
137.09602	2.5
143.08543	9.6
145.10109	17.7
147.08086	3.5
147.11681	35.2
149.09619	1.5
149.13229	4.4
157.10109	2.7
159.11668	4.0
161.09621	4.3
161.13216	10.2
163.11188	5.4
171.11687	27.6
177.12605	1.6
179.14270	1.8
181.12250	6.6
189.12706	10.8
193.12280	3.1
207.13773	28.0
225.14879	3.9
237.14833	2.0
255.15775	2.2
348.10413	1.5
349.63852	1.8
363.21777	1.8
369.24268	2.4
443.27991	4.0
461.28964	74.5
462.29663	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	461.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.6
55.01857	5.8
55.05514	28.3
57.03439	9.8
59.04992	2.3
59.43310	1.9
65.03927	3.8
67.05502	64.1
69.03419	5.6
69.07066	17.4
70.76466	3.6
70.76816	2.8
71.04993	3.2
79.05490	54.6
81.03413	63.3
81.07053	66.0
83.04987	11.7
83.08616	30.0
85.06549	3.8
89.13288	2.0
91.04977	1.8
91.05476	52.4
93.07041	52.0
95.04974	40.5
95.08602	20.3
97.06534	10.7
97.10165	8.8
103.05469	2.9
105.07029	30.0
107.04948	13.1
107.08594	30.3
109.06511	6.3
109.10137	9.0
111.08111	10.1
111.43935	1.7
115.05475	3.4
115.42060	2.0
117.07013	16.5
119.04941	2.5
119.08594	19.5
121.06498	9.3
121.10149	19.8
123.08038	4.1
123.11707	2.0
125.09631	10.4
128.06166	2.2
129.07019	17.5
131.08566	24.4
131.69415	2.0
133.06470	9.0
133.10115	13.8
135.08044	6.3
135.11705	7.4
137.09583	3.2
141.07048	2.4
142.07845	2.6
143.08524	6.9
145.06502	8.5
145.10110	9.4
147.08026	8.1
147.11681	9.2
149.09610	8.9
149.13237	25.6
155.08534	3.7
157.10155	11.8
159.08018	2.8
159.11734	13.0
161.09569	3.4
169.10156	4.0
171.07904	2.3
171.11685	3.8
173.13266	2.9
175.11201	11.0
177.12766	5.4
181.10042	4.5
183.11633	2.2
185.09686	2.1
185.13193	2.9
189.11237	5.8
193.12250	23.3
195.13835	3.1
199.14818	3.0
201.12811	4.0
205.12247	2.9
215.14351	2.4
217.15855	7.6
221.13036	2.4
225.12842	2.7
249.14851	3.8
275.16360	2.7
333.21823	2.4
341.24533	2.4
343.22699	6.2
351.23300	7.3
361.24182	2.5
369.24185	18.7
387.25427	9.6
405.26578	2.4
417.26541	9.1
443.27902	20.6
461.28958	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	461.2895
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03939	7.9
54.11895	1.7
55.01864	6.5
55.05263	2.3
55.05508	30.2
57.03425	8.4
59.11501	1.7
65.03937	4.1
67.05502	62.0
69.03422	4.3
69.07060	22.3
70.56767	3.5
70.57098	2.4
71.04981	4.5
79.05490	67.4
81.03419	42.9
81.07050	67.0
83.04980	11.7
83.08610	23.9
85.02917	3.2
85.06544	5.9
91.05476	65.7
93.07039	52.4
95.04963	36.6
95.08597	31.2
97.02863	2.5
97.06520	9.3
97.10162	12.7
101.83576	1.9
103.05502	3.4
105.07027	42.2
107.04929	17.5
107.08593	31.1
109.06524	5.8
109.10137	8.9
111.08078	7.5
115.05450	4.6
117.07012	24.9
119.04935	3.3
119.08566	21.2
121.06499	19.4
121.10143	13.6
123.08089	5.4
125.09636	10.3
125.41393	2.0
128.06230	5.0
129.07005	19.4
131.04889	3.7
131.08562	32.5
133.06512	12.3
133.10121	17.3
135.08005	5.7
135.11708	10.7
137.09625	2.4
141.06996	6.0
142.07744	2.7
143.08551	14.4
145.06468	16.4
145.10092	11.1
147.08049	11.5
147.11661	9.8
148.66656	1.7
149.09637	6.3
149.13252	13.1
155.08577	7.6
157.10101	16.0
159.08076	5.3
159.11681	10.4
161.09592	3.8
163.11206	6.5
163.32562	2.0
167.08594	3.3
169.10153	5.2
171.08107	5.8
171.11740	5.0
173.09570	2.1
173.13263	3.0
175.11195	6.5
177.12726	6.1
180.62956	1.9
183.11685	2.9
185.13289	5.3
187.11139	2.8
189.11232	8.7
189.12743	2.2
193.12238	15.2
195.11803	1.9
195.13806	6.8
197.09894	1.9
197.13222	4.7
199.14853	4.9
201.12672	4.0
205.12233	2.2
207.13824	2.7
213.12833	3.6
213.14784	2.2
215.14421	2.9
217.15894	7.2
221.13226	2.6
223.11081	1.8
223.13095	2.8
227.12775	5.4
231.13821	2.7
239.14368	2.9
249.14682	3.3
257.15314	3.3
267.15979	2.5
271.16977	2.8
275.16196	2.2
323.23608	3.0
333.22079	2.9
341.24649	2.8
351.23227	14.1
369.24234	33.3
387.25156	17.1
405.26465	3.4
407.25558	4.1
417.26505	3.3
425.26770	4.6
443.27939	39.1
461.28992	100.0
462.29190	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	461.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
53.64114	0.5
55.01854	0.9
55.05507	4.4
56.96547	0.7
57.03417	1.1
60.74601	0.5
67.05173	0.6
67.05502	8.4
69.03403	0.8
69.07029	2.4
70.27630	2.1
76.14203	0.6
77.03936	0.6
77.84998	0.6
79.05073	0.5
79.05489	9.0
81.03426	3.9
81.07055	8.5
83.04942	1.1
83.08588	1.9
84.33531	0.6
85.02902	0.6
85.06513	0.7
91.04953	0.7
91.05473	7.4
93.07045	6.4
95.04951	4.2
95.08608	3.7
97.06487	1.5
97.10128	1.5
99.36279	0.6
103.05427	0.6
105.07021	7.1
107.04953	2.9
107.08597	3.6
109.06478	1.9
109.10126	1.7
111.08070	0.7
115.05392	0.8
117.07002	2.6
119.08582	3.5
121.06489	3.4
121.10084	1.5
123.08044	0.9
123.11681	0.7
125.09592	1.0
128.06174	0.9
129.07034	3.4
131.04837	0.7
131.08574	4.6
133.06442	2.2
133.10133	2.5
135.07983	0.9
135.11630	0.9
137.09587	0.6
141.06929	1.0
142.07784	0.6
143.08479	1.9
145.06390	1.6
145.10060	2.0
147.07991	2.3
147.11644	1.6
149.09589	1.1
149.13237	1.1
155.08496	1.5
157.10068	1.6
159.08015	1.0
159.11649	1.7
163.11038	0.6
165.09102	0.8
169.10095	0.6
171.11588	1.1
175.11111	0.6
177.12625	0.8
183.11580	0.6
185.13268	0.7
187.11165	0.5
189.11194	1.2
193.10085	0.5
193.12122	1.0
197.13246	0.5
215.14323	0.8
217.15794	1.5
227.12581	0.7
231.13965	0.6
254.25299	0.6
259.12067	1.3
269.45328	0.5
285.09863	1.0
303.10849	0.6
322.44342	0.6
341.24646	1.2
351.23001	2.1
369.24222	5.1
387.25357	3.0
405.26004	0.7
443.27963	6.7
461.24713	100.0
462.25256	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	461.1434
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01847	0.1
56.96542	0.1
57.03404	0.1
63.42519	0.1
67.05463	0.3
69.03397	0.1
69.07037	0.1
70.81571	0.3
71.04984	0.1
72.71095	0.1
79.05447	0.3
81.03375	0.3
81.07014	0.3
83.01316	0.4
85.02880	0.2
88.52294	0.1
91.05477	0.5
93.07011	0.2
95.04970	0.1
95.08561	0.2
99.97297	0.1
102.02661	0.1
103.73058	0.1
105.07000	0.2
107.04933	0.3
107.08543	0.1
117.06920	0.1
119.04937	1.4
119.08537	0.1
121.02856	1.2
121.10157	0.1
129.06993	0.1
130.78812	0.1
131.04880	0.1
131.08473	0.1
135.04338	0.2
137.05925	0.1
145.02808	0.2
147.04427	0.6
151.03851	0.1
153.01741	0.2
163.03877	0.2
179.03343	0.3
181.04951	3.7
194.56987	0.1
197.04453	0.2
212.16258	0.1
225.08876	0.1
227.10854	0.1
253.08595	0.1
257.08102	0.1
271.09708	0.3
283.06076	0.2
284.06729	0.7
297.07581	1.7
298.08490	0.1
299.09116	100.0
300.09448	2.7
301.06931	0.2
315.12418	0.1
317.06625	0.6
369.23999	0.1
375.03754	0.1
393.04712	0.1
443.27985	0.1
461.14417	7.1
461.28589	0.4
462.14801	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
55.01858	4.7
55.05506	24.4
56.96560	7.0
57.03421	8.4
59.04996	3.7
61.02927	6.2
65.27496	3.4
67.05181	3.8
67.05506	53.8
68.05840	3.9
69.03422	7.6
69.07059	14.0
71.04993	7.5
71.12735	6.9
71.13113	6.0
71.39404	3.0
72.98174	3.9
73.02911	6.8
79.05489	49.7
80.95565	3.0
81.03421	26.5
81.07054	55.0
83.04961	9.7
83.08626	17.7
85.02894	7.9
85.06543	7.5
91.05478	49.7
92.05807	3.5
93.07040	40.1
95.04990	25.0
95.08599	25.9
97.02859	7.5
97.06520	8.6
97.10128	10.6
103.05473	7.1
105.07032	42.5
107.04949	19.0
107.08569	19.7
108.05307	4.2
109.02889	3.9
109.06509	7.3
109.10189	8.3
117.07025	15.1
119.04922	5.7
119.08594	21.0
121.06491	12.6
121.10146	9.5
123.08046	7.6
125.09643	8.3
129.07004	19.4
131.04910	7.5
131.08542	21.5
133.06520	9.5
133.10141	12.4
135.08078	6.4
135.11679	4.2
137.05968	6.9
141.07008	5.0
142.07822	3.3
143.08606	16.8
145.06480	13.2
145.10172	16.5
147.04388	13.8
147.08051	11.1
147.11661	13.4
149.09631	6.3
151.07521	9.7
153.01830	8.5
155.08525	5.9
157.10089	11.7
159.08000	4.2
159.11714	7.0
161.09602	5.2
165.00700	3.1
165.09048	5.1
167.08473	3.1
169.10109	5.8
171.11700	6.2
173.13210	3.3
175.11151	4.2
177.09015	5.0
185.13252	6.8
192.30185	3.8
193.12096	8.6
197.13266	6.2
201.12614	3.9
207.13770	4.5
211.11298	3.1
213.97525	3.9
215.07321	3.2
217.70311	3.3
250.09784	4.4
267.09030	12.1
267.15909	4.4
281.17471	25.6
285.10098	13.4
299.12549	4.9
311.07870	4.2
315.08621	11.2
317.06467	5.4
341.24548	6.3
351.23163	12.1
369.24194	25.9
387.24994	16.4
417.25949	4.5
443.27914	25.5
461.28784	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	461.1439
Annotation	Pectolinarigenin 7-rhamnoside
Peak:m/z	Relative Intensity
57.03416	2.5
57.05599	0.6
70.83146	0.6
71.04986	13.2
85.02412	1.1
85.02900	14.3
86.53602	0.7
94.61500	0.6
98.20708	1.5
121.02840	2.4
129.05478	3.3
147.06477	0.8
181.04965	3.6
193.04945	1.4
198.06689	0.7
213.09193	0.8
241.08549	1.3
282.56073	0.8
286.08313	0.8
313.07147	0.9
315.08597	100.0
316.08932	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	461.1442
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.07189	0.1
55.01876	0.1
57.03424	0.1
65.03944	0.1
67.05482	0.1
69.03425	0.2
69.36339	0.4
69.36757	0.8
69.76747	0.1
79.05488	0.3
81.03393	0.3
81.07050	0.2
83.01350	0.4
83.04980	0.1
85.02892	0.2
91.05492	0.6
95.04944	0.2
97.02856	0.2
97.06550	0.1
105.07020	0.1
107.04938	0.3
111.04465	0.1
119.04938	1.6
119.08595	0.1
121.02858	1.0
121.10177	0.1
131.04918	0.3
135.04379	0.3
137.02321	0.4
137.05971	0.2
145.02832	0.4
147.04398	0.3
151.03943	0.2
151.07513	0.1
151.26135	0.1
153.01822	0.2
159.08069	0.2
163.03937	0.4
167.03424	0.5
179.03383	0.8
181.04956	3.9
181.06511	0.2
187.03835	0.1
197.04425	0.5
197.06044	0.3
215.07019	0.2
243.06552	0.6
253.08618	0.3
256.07480	0.2
257.08093	0.2
271.06049	0.3
271.09714	0.2
281.15216	0.2
283.06085	0.3
284.06741	0.6
287.05478	0.7
288.06082	0.1
297.07587	2.0
298.07950	0.2
299.09128	100.0
300.09494	3.3
301.07004	0.2
315.08575	0.3
317.06537	8.9
318.06952	0.3
461.10617	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.01863	7.0
55.02102	1.0
55.05265	1.4
55.05510	25.9
57.03427	5.0
65.03922	1.9
67.05502	32.4
69.03429	5.2
69.07050	4.9
71.04983	3.0
72.37241	1.0
79.05488	32.6
81.03413	99.4
81.07052	28.6
82.03767	0.9
83.04973	6.9
83.08616	25.0
84.31237	1.1
85.06547	2.6
87.10355	1.2
88.05617	1.1
89.23099	1.0
91.05478	33.6
93.07045	18.8
94.14467	0.9
95.04964	32.3
95.08605	14.6
97.02865	1.6
97.06514	3.9
97.10165	11.3
103.05482	1.3
105.07020	25.7
107.04947	15.0
107.08591	12.9
109.06515	5.6
109.10170	6.3
111.04409	2.4
111.08070	7.8
115.05426	3.9
116.06181	1.3
117.06997	10.2
119.04903	2.4
119.08577	18.9
121.06512	10.9
121.10159	8.5
123.04417	3.1
123.08053	4.1
125.09638	10.4
128.06227	2.2
129.07004	20.3
131.04912	6.3
131.08560	16.7
133.06503	6.7
133.10130	6.8
135.08034	4.5
137.05989	1.5
137.09592	2.6
141.07007	4.9
142.07811	4.1
143.08557	5.3
144.05696	1.6
145.06476	27.5
145.10104	5.7
147.04385	1.4
147.08049	8.4
147.11703	9.7
149.09608	5.7
151.11140	1.2
153.06949	1.4
153.09090	3.9
155.07356	1.2
155.08522	6.0
157.06442	6.4
157.10117	16.0
159.08066	4.4
159.11708	3.1
161.05989	4.4
161.09618	2.0
163.11195	1.6
165.12741	1.7
167.08534	1.7
169.06499	2.0
169.10117	3.8
171.08076	6.6
171.11694	3.2
173.09630	1.8
175.11191	11.6
177.12854	2.0
179.08499	1.4
181.10100	3.4
183.08064	1.6
185.09636	3.5
185.13159	1.1
187.11290	1.2
187.14763	1.0
189.11247	3.3
189.12782	1.6
193.12231	52.9
195.11661	5.4
197.09714	1.9
197.13271	3.0
199.11186	1.7
201.12686	1.2
203.14326	1.3
205.12274	1.2
209.13271	2.3
211.11450	2.2
213.12737	3.7
215.14299	2.6
223.11266	1.8
225.12721	1.7
227.14336	2.1
231.13835	3.1
233.13217	1.3
233.15358	3.7
237.12706	2.5
239.14406	1.4
243.13876	1.3
249.14838	6.5
253.15877	1.5
255.13802	6.6
269.15302	2.3
271.16974	2.3
273.14835	19.2
281.15329	1.3
287.16461	1.8
288.10858	1.2
299.16336	2.6
311.16321	1.2
321.22275	1.4
331.20285	1.4
339.23224	5.5
349.21652	17.1
351.22861	1.2
357.24265	6.9
367.22656	43.4
368.22855	1.9
385.23712	38.8
386.24179	1.6
403.24768	10.8
405.24014	1.7
423.25339	2.6
441.26266	6.9
459.27408	100.0
460.27737	3.6
470.22754	1.1
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
52.48792	1.1
53.03938	5.7
53.08131	1.1
55.01875	5.7
55.05508	25.0
57.03439	5.5
58.68201	1.1
59.05000	1.4
65.03931	2.2
67.05502	35.7
69.03423	3.8
69.07062	7.9
70.09622	4.0
70.10030	2.3
71.04975	3.7
79.05491	40.7
81.03416	73.9
81.07051	28.6
83.04983	9.4
83.08611	20.1
85.06535	2.0
87.46568	1.1
91.05477	39.4
93.07043	22.4
95.04966	28.3
95.08599	11.4
97.02914	2.1
97.06532	4.5
97.10175	13.3
99.08070	1.7
101.99564	1.2
103.05449	1.3
105.07035	27.3
107.04950	18.1
107.08595	14.7
109.02859	1.4
109.06519	5.4
109.10137	5.6
111.08076	9.5
115.05458	3.1
117.07013	10.2
119.04940	2.6
119.08574	17.6
121.06500	11.4
121.10137	7.2
123.04457	2.3
123.08057	4.7
123.11738	1.3
125.09616	12.0
125.16554	1.0
128.06244	2.8
129.06995	19.6
129.49655	1.1
130.03951	1.1
131.04941	4.5
131.08565	17.0
133.06462	8.6
133.10117	10.6
135.04485	1.3
135.08063	5.1
135.11647	2.2
137.09695	1.6
141.06966	3.1
142.07817	3.1
143.08534	5.4
144.05716	2.0
145.06479	17.6
145.10123	5.1
147.08060	5.7
147.11697	11.2
149.09604	5.4
153.09091	2.8
155.08569	5.5
157.06430	2.8
157.10118	12.9
159.08064	5.2
159.11729	1.7
161.05974	2.9
161.09636	2.8
163.11191	4.3
165.12698	2.1
167.08585	2.2
169.10175	3.1
171.08005	5.8
171.11639	1.9
173.09648	1.6
175.11174	13.7
181.10132	2.5
183.08044	1.8
185.09615	2.4
185.13254	2.5
187.14928	1.5
189.09398	1.3
189.11203	5.3
189.12717	1.6
193.10394	2.1
193.12234	41.8
195.11713	3.2
197.09637	2.1
197.13286	4.0
198.49271	1.3
199.11264	2.1
201.12762	1.8
205.12251	1.2
205.58855	1.3
211.11214	1.4
211.13150	1.9
213.12769	3.6
215.14380	2.4
217.12256	1.3
219.11737	1.3
227.14392	1.4
231.13843	2.1
233.15417	4.9
237.12645	2.2
241.12280	1.3
249.14879	3.6
255.13757	5.6
269.15527	1.7
271.16974	3.0
273.14847	11.9
273.17599	1.6
275.16534	1.7
281.15393	1.4
283.17163	1.5
287.16327	1.9
297.18585	1.5
339.23230	4.4
349.21533	12.5
357.24191	3.9
367.22647	31.3
385.23761	36.7
403.24829	9.3
405.24542	1.4
441.26303	5.3
459.27420	100.0
460.27750	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	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
54.94160	1.6
55.01876	11.1
55.05509	71.3
57.03416	7.4
57.07071	2.1
58.55262	1.5
59.04973	4.0
59.73163	1.6
65.03940	1.8
67.05505	55.7
69.03406	6.3
69.07067	17.0
69.27778	1.7
70.16354	5.8
71.04981	3.9
79.05487	60.1
81.03399	6.2
81.07054	49.3
83.04979	5.7
83.08615	30.8
85.06538	3.0
91.05478	51.3
93.07040	25.4
95.04942	11.9
95.08596	17.3
97.06514	3.3
97.09536	3.2
97.10165	59.5
98.21331	2.1
103.05472	23.4
105.03351	2.2
105.06367	1.6
105.07019	40.5
105.07675	3.7
107.04931	11.3
107.07959	2.6
107.08591	30.9
109.06534	3.8
109.10166	11.7
111.08110	4.2
115.05462	14.9
116.06223	2.1
117.07014	56.2
117.07838	2.8
119.04961	2.3
119.08578	22.4
121.06467	4.8
121.10118	5.8
123.08075	3.4
125.09619	45.8
128.06230	5.5
129.06996	34.8
131.04916	6.2
131.08559	44.3
133.06480	8.7
133.10123	8.6
135.08054	15.6
137.09572	3.8
141.06990	13.9
143.08566	14.2
145.06468	23.8
145.10115	15.8
147.08046	5.7
149.09604	7.8
153.07010	3.1
153.09106	7.6
155.08589	18.7
157.06483	7.8
157.10156	9.6
159.08069	7.0
159.11681	6.5
161.05832	2.0
163.11162	2.5
165.07021	4.3
167.08545	9.1
169.10103	16.8
171.08034	8.9
171.10252	2.6
171.11658	7.7
171.33208	2.0
173.09607	3.3
173.13205	4.2
179.08586	2.1
181.10138	5.3
182.10938	2.0
183.11644	1.8
185.09576	2.3
185.13264	5.2
187.11195	4.9
187.14781	18.8
189.11230	31.2
193.10081	2.0
193.12137	1.9
195.11736	6.2
197.09479	3.0
197.13246	22.8
199.11235	2.3
201.12851	2.1
202.23325	1.9
209.13187	2.7
213.12733	5.7
215.14311	100.0
219.11525	2.3
221.13226	2.8
223.11311	3.6
223.14871	2.0
227.12695	35.8
233.15392	5.5
237.12680	4.2
241.12244	5.7
243.13765	2.4
245.13730	2.6
251.14255	2.8
255.13782	3.3
259.13388	3.0
269.15439	2.3
271.16885	7.3
273.14835	3.0
287.16342	3.7
289.17975	2.3
321.22125	4.8
339.23215	7.6
349.21573	17.0
357.24164	2.8
367.18329	3.5
367.22656	46.7
385.23755	28.3
403.24658	7.2
405.24277	2.5
423.25522	2.5
441.26285	57.2
459.27338	95.1
460.27609	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	459.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.4
56.71767	1.8
56.73395	1.6
56.96556	5.3
58.06617	1.8
58.99865	2.4
61.90593	1.7
68.05021	4.8
69.03404	2.1
70.06599	2.8
71.58983	1.8
77.00896	4.9
85.02893	4.0
86.06059	26.3
89.60828	2.0
91.05470	2.0
97.02881	3.1
97.40928	1.8
98.97556	2.7
101.00862	16.3
105.00302	2.3
107.04947	14.1
113.00860	6.4
117.11805	1.7
119.01915	100.0
120.01994	2.1
128.98608	2.1
129.00395	2.5
131.01909	62.6
131.04916	2.4
132.06581	5.5
133.03456	9.2
137.02945	19.4
142.01132	4.5
142.04968	3.0
143.01906	18.8
145.03424	3.1
147.01376	9.2
149.02954	20.5
151.04570	2.4
155.01901	22.2
157.03484	3.6
157.09840	1.7
159.01413	4.6
160.02167	8.3
161.02960	37.7
165.04034	2.6
167.05603	3.7
171.01382	7.6
173.02975	53.7
177.02438	20.7
177.04013	4.9
181.03479	2.4
183.04961	3.6
185.03072	9.4
185.05002	2.4
185.06590	17.6
187.10817	3.7
189.02443	16.9
191.03993	4.8
195.05040	85.2
196.05061	4.5
199.04567	3.4
201.02354	2.0
203.04056	7.6
207.05080	13.6
209.06558	7.9
211.04556	4.4
213.02454	1.8
213.06088	24.7
215.10287	4.9
219.03661	2.5
219.05148	18.1
220.05849	3.5
221.05063	8.0
223.01175	2.4
223.04526	8.5
225.06105	10.3
229.05611	5.8
231.05013	4.8
235.04456	14.0
237.06064	22.4
239.04121	4.2
239.06145	12.8
243.07281	4.4
245.11322	17.8
247.04630	3.2
249.06287	24.1
251.04065	6.9
251.07576	3.2
253.05577	20.3
257.05109	12.1
261.05994	2.5
262.05350	3.1
265.05609	4.8
267.07123	32.8
269.05090	6.4
271.06693	14.0
274.13092	2.0
277.05533	9.4
279.05829	3.5
279.07309	3.6
281.05069	21.3
293.05060	6.4
295.06635	62.8
296.06885	3.1
296.52991	2.3
297.04587	50.8
299.06161	4.0
307.06610	17.2
309.08124	3.4
311.06079	11.3
315.05545	6.7
320.06122	2.5
321.04538	2.8
323.06152	4.9
324.57416	2.3
325.07672	6.6
337.07568	4.6
339.05661	31.3
339.09244	1.7
351.05515	14.4
355.08932	2.9
357.06592	51.5
357.10959	2.5
358.06677	2.7
358.16028	2.6
369.06564	15.0
369.10721	3.8
375.07520	5.4
381.06509	3.4
383.08218	20.4
387.07794	2.2
397.09808	21.9
398.09396	2.2
399.07605	2.8
401.09250	6.3
423.07581	6.6
441.08820	16.1
459.09299	8.7
459.21091	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	459.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11546	4.4
55.05507	30.2
55.58664	4.5
56.96559	7.1
57.03430	8.5
60.58170	4.4
67.05508	32.2
69.03411	8.0
69.07072	5.7
71.04983	21.8
71.59555	8.3
79.05479	36.0
81.03412	45.5
81.07047	33.2
81.85560	4.2
83.04982	6.9
83.08622	13.6
85.02902	17.3
86.09743	5.4
91.05467	33.0
93.07042	20.3
95.04966	18.3
95.08605	10.8
97.02866	6.5
97.06535	6.0
97.10161	14.5
105.07001	23.1
107.04949	17.2
107.08586	19.7
109.06496	6.2
109.10149	7.3
113.05949	5.5
117.07017	11.9
119.04922	14.5
119.08560	10.9
121.06488	11.7
121.10117	8.4
123.08081	5.6
125.09619	13.5
128.06224	5.1
129.05428	7.0
129.07008	12.5
131.04941	12.5
131.08569	19.2
133.06543	9.4
133.10156	11.0
135.08047	6.9
137.05931	7.4
143.08553	8.5
145.06485	18.8
145.10106	7.5
147.04413	40.1
147.11708	8.7
152.60489	5.2
157.10135	15.0
157.36224	4.8
167.06940	5.6
171.08070	6.3
175.11165	11.5
177.12720	5.1
180.69951	6.0
186.13235	5.5
189.04796	5.4
189.11188	6.1
193.12274	19.1
239.02026	5.5
267.79187	4.9
273.14990	15.2
283.02649	14.1
297.13403	5.0
297.20380	6.6
301.07224	6.4
311.02371	5.5
349.21539	16.8
361.02271	14.0
367.22589	32.5
375.03857	8.7
379.03802	6.5
385.23682	39.1
403.24686	8.4
441.26401	9.9
459.27521	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41926	4.0
55.05503	6.0
55.46466	4.0
56.96554	13.7
61.51585	4.6
67.05495	9.2
69.03455	4.4
69.07042	6.5
70.06584	5.9
71.60421	6.5
72.23732	4.0
74.41102	3.8
75.83117	3.7
81.03362	3.9
81.07037	7.7
91.05477	18.1
93.07030	4.2
95.08614	7.6
105.07003	8.4
107.04940	8.4
107.08564	10.7
109.10149	22.5
119.04967	20.0
119.08560	11.5
121.10136	7.8
129.06960	4.2
133.10098	7.4
135.11673	17.2
137.05949	7.5
137.09598	5.3
147.04385	67.5
147.11592	5.5
148.04643	4.4
151.11162	4.5
153.01892	7.1
167.07033	19.1
175.14873	7.0
182.99460	6.3
193.01717	15.8
193.15819	9.1
194.99513	12.4
204.07945	4.9
211.02740	31.8
211.16878	26.5
213.04321	8.5
221.01234	12.9
223.02800	9.7
234.08615	8.4
239.02237	70.9
243.71227	5.1
249.11115	20.2
257.03342	100.0
267.06845	8.9
269.03375	7.0
283.02652	33.1
285.07925	14.8
287.04944	5.9
288.05893	7.9
311.05893	12.9
321.04376	5.7
329.03510	7.4
329.06949	19.2
339.05350	26.7
343.04828	28.3
357.06363	28.8
365.03186	5.6
369.06277	11.2
379.04880	12.9
383.04324	59.0
385.05988	23.7
387.07358	7.1
397.06097	51.2
401.00934	5.6
401.05820	39.1
434.71875	5.7
459.06036	81.8
459.20786	10.7
459.27219	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	96.6
64.04948	0.9
70.06596	1.9
70.98115	6.9
71.34121	1.5
71.34463	1.0
72.93792	1.0
74.97594	11.7
78.04188	0.9
79.01894	1.0
84.96014	5.1
85.02904	2.5
86.97585	1.7
88.99165	8.3
92.23325	0.9
92.98660	2.7
97.02883	1.7
97.99194	1.2
98.97572	6.8
99.04459	1.0
100.99133	5.9
102.97074	1.2
103.40842	0.9
107.00199	3.8
110.97578	3.5
111.04436	1.0
116.98599	8.7
119.00175	13.1
123.04457	2.8
127.03916	1.8
128.98611	8.0
130.96547	1.6
133.01700	5.0
134.97440	1.0
134.99649	9.4
136.06186	1.2
137.01225	3.8
144.98093	18.4
146.99637	13.7
147.04414	1.4
148.97563	5.1
150.99179	3.1
151.02803	2.0
153.00702	3.5
153.01849	8.7
154.02188	1.6
160.95293	2.1
161.01219	4.8
162.99147	48.9
165.00693	4.4
165.99368	1.0
166.98636	4.0
169.00240	2.8
177.00691	1.3
178.03607	1.1
178.96364	2.1
179.02312	2.6
181.00208	32.7
181.01723	3.9
184.00461	1.5
186.99167	4.1
193.00235	4.3
193.81082	1.1
197.01253	6.5
199.01242	6.1
199.02834	1.9
204.01802	1.1
205.00185	29.5
207.32788	1.2
209.01172	1.3
215.02304	2.2
217.03905	1.4
220.97488	2.2
223.01241	100.0
225.00618	2.5
227.02251	11.1
228.01828	1.2
234.99298	1.0
237.02927	1.5
238.98463	1.4
239.02235	3.1
241.02277	18.6
243.01753	1.1
245.03406	3.5
246.02821	5.1
251.02327	3.0
253.00099	5.3
255.01688	1.0
257.03162	2.5
263.00668	16.5
267.01639	1.4
269.03256	5.8
271.01248	6.9
281.01712	17.9
285.02939	1.7
295.01361	2.5
297.02756	1.2
304.03076	1.2
309.02667	1.2
313.02280	2.6
321.02866	4.2
339.03897	2.7
351.03931	2.7
355.03403	2.1
357.04752	1.0
365.01825	5.3
369.04874	1.8
379.03632	1.1
383.02863	27.2
383.07806	1.9
384.03238	0.9
397.04709	2.1
401.03903	30.4
411.35944	0.9
424.05472	2.2
459.04947	2.5
459.10776	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2405
Annotation	Lys Phe Tyr
Peak:m/z	Relative Intensity
64.19463	0.3
64.44901	0.3
69.03414	0.6
69.07083	0.3
71.60231	0.7
72.08128	0.6
80.33460	0.3
85.02912	0.4
86.09685	0.7
87.04475	0.5
97.02866	0.4
129.30223	0.3
147.04361	0.8
153.01845	0.7
155.03094	0.5
170.64223	0.3
188.09245	0.4
203.05293	2.9
205.12053	0.5
232.45563	0.3
248.04889	0.3
277.17752	6.1
292.03024	0.4
295.18839	1.1
304.68179	0.3
325.03186	1.6
332.37988	0.3
345.04611	0.5
357.18912	0.3
361.02441	1.1
377.01990	0.6
379.03302	0.4
385.18387	3.5
457.07587	3.8
457.24066	100.0
458.24411	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	0.3
70.06582	0.4
71.13572	0.5
71.13900	0.5
72.08140	1.3
75.57709	0.3
81.07058	0.5
85.02908	0.3
86.09693	1.6
93.06953	0.3
105.07093	0.4
117.06989	0.4
128.10777	0.4
147.04430	0.6
161.09579	0.3
203.05276	3.8
205.11998	0.5
210.27513	0.3
223.12895	0.3
277.17746	6.3
295.18729	2.0
325.03210	0.9
357.18576	0.4
358.44769	0.3
385.18268	4.0
457.07230	1.9
457.24084	100.0
458.24371	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	457.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.5
53.03925	1.4
53.94645	0.4
55.01863	0.6
57.03408	0.4
63.33625	0.4
69.03426	3.5
70.06566	0.5
71.11603	0.7
73.02940	0.4
73.19313	0.3
79.01852	4.0
81.03416	7.0
81.90039	0.4
85.02906	2.9
92.35590	0.4
93.94141	0.3
95.80186	0.4
97.02882	5.3
99.04444	1.2
107.01296	1.3
109.02872	4.8
125.02345	4.4
127.03900	6.7
131.42523	0.4
143.03386	61.0
144.03725	0.7
145.04919	1.4
153.01819	100.0
153.02754	3.6
154.02141	2.1
171.02876	10.9
297.06033	10.8
315.07059	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	457.1315
Annotation	KN-92
Peak:m/z	Relative Intensity
59.05008	0.6
60.97226	0.6
69.30811	3.2
69.31238	3.0
71.04987	0.9
73.97604	0.5
85.02900	1.3
98.20773	1.0
112.91518	0.5
149.02113	5.6
150.83492	0.7
153.01822	2.4
175.45825	0.6
183.64339	0.6
185.02898	1.3
185.04327	1.0
193.96295	0.6
201.86078	0.6
205.55029	0.6
237.02710	0.6
311.07370	3.8
331.09976	6.7
349.67358	0.6
457.13144	100.0
458.13321	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	456.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.05502	1.2
56.96571	11.7
57.03429	0.9
58.06603	7.0
61.02894	0.8
65.03925	2.2
67.05495	2.5
68.55019	0.7
68.99785	3.6
69.03431	1.3
69.07032	1.5
69.71640	5.4
70.06554	0.8
71.46161	0.8
72.08130	1.3
73.02930	0.9
77.03905	1.6
81.03400	0.9
81.07046	3.1
83.04953	1.1
83.08572	0.9
85.02921	2.0
85.06577	0.8
89.03877	1.1
91.05479	9.1
93.03356	0.8
93.07047	1.5
95.04960	3.8
98.20746	1.6
105.03404	2.0
107.04960	0.9
107.08580	0.9
109.10106	1.4
111.00788	2.8
111.04431	2.5
119.04939	14.3
121.10153	1.4
123.04427	100.0
124.04762	4.6
127.03888	1.1
135.04402	4.0
139.03893	39.2
140.04301	1.9
147.04407	42.7
148.04730	4.6
151.03894	2.7
151.20322	0.8
153.01781	0.8
163.03909	3.0
163.07524	2.4
169.40338	0.8
181.01736	1.3
184.00429	2.3
187.02650	0.9
189.05455	2.6
194.25935	0.9
195.03334	1.1
197.01254	7.4
201.12848	0.9
202.01527	1.1
202.99997	1.3
209.01202	5.5
211.02753	1.8
213.04337	3.6
215.02301	3.0
221.01271	7.6
227.02261	4.3
227.07042	1.4
231.05429	1.0
235.02789	2.0
239.02243	14.2
253.03909	1.3
255.06525	1.4
257.03305	11.2
258.03793	1.1
269.17807	1.0
273.07547	21.6
274.08011	1.7
285.04318	1.2
285.10092	1.4
293.20895	1.0
294.17236	1.0
301.20239	1.1
311.02255	1.5
329.03406	7.6
347.04330	12.6
355.04770	1.0
357.15598	0.9
359.04276	2.5
365.05429	4.5
367.04871	3.1
373.05832	2.2
377.05453	1.1
385.05975	2.3
391.07303	1.1
455.22543	2.3
456.22852	13.1
475.07080	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	455.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01854	1.2
55.05492	3.0
55.51013	1.4
56.96565	7.2
57.03430	3.1
58.06593	3.1
58.56376	1.4
61.02924	5.1
65.03942	2.5
67.05502	6.7
69.03419	4.9
69.07074	2.9
71.04993	2.5
71.55600	1.3
71.55923	1.9
72.08161	2.6
73.02900	3.2
79.05499	4.4
80.94384	1.3
81.03410	7.3
81.07065	7.7
83.04969	3.6
83.08614	3.9
85.02892	10.8
85.06538	4.0
91.03972	2.6
91.05475	8.8
93.07056	6.0
95.04977	4.5
95.08613	3.1
97.02905	5.7
97.06548	1.9
97.10152	1.7
98.97610	2.3
100.11306	2.1
105.07045	5.3
107.08614	5.3
109.02791	1.5
109.06549	1.9
109.10142	3.2
111.00826	1.5
111.04436	2.8
111.08077	3.3
114.09155	2.5
115.03928	1.4
116.98607	2.0
117.07034	2.5
119.04946	13.1
119.08591	4.2
121.06584	1.6
121.10123	6.6
123.04427	46.2
123.05324	2.6
123.11705	2.9
125.09618	2.6
125.66604	1.5
127.03899	2.1
129.05515	1.5
131.08563	2.3
133.10149	2.9
134.99622	1.4
135.08005	1.8
135.11714	2.3
137.06026	1.5
137.09596	1.7
139.03902	20.1
142.08621	2.0
145.10187	2.0
147.03233	2.6
147.04398	37.9
147.11664	1.5
149.09616	3.7
149.60477	1.3
153.01891	2.8
153.09096	1.5
157.10260	1.9
159.11670	1.6
163.03941	2.3
165.09061	1.7
165.12703	1.7
170.15402	2.4
173.13298	2.7
179.10698	1.5
187.14844	2.0
189.05481	2.7
189.12682	1.5
193.12242	2.5
197.01215	4.9
198.14957	2.0
203.05298	3.3
207.13893	2.1
209.01375	2.8
210.14983	1.7
211.13347	2.8
221.01245	3.7
227.02235	1.9
239.02350	4.0
257.03354	4.7
259.08939	1.9
261.10211	3.1
267.09174	4.3
267.15924	1.9
273.04837	1.9
273.07471	9.1
275.16330	3.6
275.20108	8.4
285.09961	9.7
285.16882	1.9
293.17285	6.1
293.21219	7.9
303.11081	1.8
324.11502	2.7
329.03363	4.2
332.11371	1.5
347.04538	4.2
359.04572	1.9
365.05255	2.3
367.05457	1.8
455.22498	100.0
456.22815	4.9
475.07382	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	455.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60579	0.7
55.05502	1.4
56.57754	0.9
56.96548	2.4
57.03433	1.2
58.06588	1.0
61.02912	2.3
65.03929	1.0
67.05495	2.9
69.03416	1.7
69.07054	1.6
70.06593	0.8
71.60019	0.8
73.02912	1.1
79.05479	1.8
81.03413	2.9
81.07070	4.9
83.04990	1.5
83.08622	1.1
84.93921	0.8
85.02889	4.5
85.06525	1.1
89.34579	0.8
91.03941	1.1
91.05495	3.8
93.07035	2.5
95.04942	2.2
95.08598	2.8
97.02895	1.8
97.06577	0.8
97.10182	0.8
100.11264	0.9
105.07008	2.0
107.08559	1.8
109.02896	1.2
109.06545	1.5
109.10156	2.9
111.04446	1.0
111.08121	0.8
117.07041	1.1
119.01882	1.2
119.04932	2.4
119.08513	1.3
121.10136	2.4
122.06054	0.8
123.04446	3.9
123.11697	0.8
127.03896	1.5
129.07008	0.8
131.08592	0.8
133.10114	1.0
134.99670	1.2
139.03893	2.3
140.15674	0.7
147.04416	13.0
147.11694	1.0
153.01839	1.0
157.10072	0.8
165.09065	0.9
169.17059	0.7
193.12291	0.9
203.05264	4.9
203.78096	0.8
211.13237	1.1
211.15019	0.8
241.07297	1.0
243.08932	2.0
259.08310	1.0
261.09973	1.3
267.09012	1.5
269.12411	1.0
273.07330	1.3
275.16232	3.8
275.19980	1.3
283.06293	1.4
285.10095	6.9
293.17160	3.4
293.20706	1.1
294.24301	1.0
301.09827	1.2
303.11386	1.2
324.11542	2.5
326.42126	0.8
328.03116	0.9
332.11246	1.5
455.22498	100.0
456.22900	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	455.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.5
63.35582	0.3
63.81501	0.4
69.03398	0.8
70.06589	0.6
71.24326	0.4
71.59514	0.5
77.60708	0.4
81.03381	0.5
85.02905	1.2
86.09687	0.6
92.71117	0.4
97.02877	0.8
98.97576	0.4
103.03928	0.5
109.02881	1.2
109.70186	0.4
116.98608	0.7
123.04449	0.9
124.07567	2.4
127.03881	1.2
133.26291	0.4
139.03932	0.5
140.04488	0.4
143.03371	0.9
145.06480	0.4
147.04381	1.2
149.02080	6.2
153.01790	2.2
167.03059	0.5
175.08847	0.4
185.02888	1.4
185.04276	1.4
202.00630	0.5
203.03908	0.7
203.36308	0.4
245.11613	0.8
267.08469	1.8
269.06369	1.0
311.07462	2.8
329.08420	9.2
335.06238	0.6
347.67380	0.5
353.07996	1.2
358.77527	0.5
393.11514	3.3
395.09467	4.4
437.10370	0.6
455.11545	100.0
455.22141	2.8
456.12067	3.1
460.63638	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84450	1.0
56.37587	0.8
59.34444	0.8
60.16162	0.7
65.93885	0.8
66.47785	0.7
69.60313	3.0
69.60733	3.5
69.63100	0.8
96.58927	0.7
111.51741	0.8
112.89610	5.2
119.01890	2.4
125.73351	0.9
131.01022	0.8
131.01900	3.5
137.01857	2.3
137.02879	0.8
139.65718	0.7
143.01830	2.3
152.02440	1.1
161.02951	1.3
173.02982	2.3
173.52968	1.1
174.02980	0.8
185.02991	2.8
197.03032	1.6
203.04057	2.3
224.04678	1.4
245.05098	5.2
263.06168	1.9
365.09412	1.5
455.11606	100.0
456.12003	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	455.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72132	1.4
52.13057	1.5
56.96557	8.4
70.06587	3.6
71.59766	2.4
81.07052	2.0
84.96053	2.1
85.02882	3.2
95.04957	1.8
96.05299	1.4
98.97570	12.1
105.83603	1.6
110.76668	1.4
110.97571	2.9
116.98637	10.0
123.04413	2.4
128.98621	4.9
134.99655	4.2
143.00172	1.9
144.98032	2.1
146.99649	6.5
147.04401	2.6
153.01828	6.3
158.99707	1.8
162.99129	1.6
170.99635	1.5
177.00754	4.1
179.03778	4.4
197.04831	5.2
219.01802	5.1
221.04802	6.4
233.05101	1.5
237.02826	17.4
239.05920	2.1
263.05994	1.5
275.20978	1.6
303.04965	2.9
323.07956	16.9
341.09027	15.9
360.31549	1.5
431.40961	1.7
455.12900	100.0
455.22720	14.7
456.13208	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	455.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21730	1.0
64.74754	1.1
69.58656	7.4
71.04986	4.3
81.76338	1.1
85.02897	3.0
169.04727	19.3
205.63286	1.3
243.75517	1.4
303.04895	1.1
308.02826	2.2
309.03680	100.0
310.03961	1.6
327.04810	1.7
350.06375	2.2
451.70566	1.2
455.09491	42.5
455.22501	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2924
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.49109	0.7
55.05509	2.3
56.96571	0.8
57.03441	4.2
57.07072	22.1
57.91898	1.0
62.06084	25.7
65.03806	0.8
67.05495	5.7
69.07056	3.2
71.08630	17.8
78.70178	0.7
79.96929	0.7
81.07043	6.7
83.08607	3.9
85.10185	9.5
88.07626	1.0
89.06032	1.1
95.08593	7.9
97.10169	2.7
98.98451	6.5
107.08545	1.0
109.10149	4.5
111.11677	0.7
116.91547	0.7
121.07430	0.8
123.11705	1.6
126.73536	0.7
126.85004	0.8
142.02618	1.2
155.01048	6.3
173.02072	1.2
181.06519	2.3
198.05128	1.3
216.06303	2.1
225.09039	2.6
229.27882	1.0
239.23604	1.6
256.26355	2.5
282.27917	11.5
283.28217	0.8
313.27341	100.0
314.27673	2.8
324.07458	0.8
393.24048	5.6
436.27936	2.3
454.33792	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	455.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.3
51.02388	1.0
51.13772	0.3
56.35120	0.3
58.17384	0.2
65.03933	0.3
68.99783	1.0
69.03427	0.4
69.66818	0.3
70.00983	1.6
71.04982	0.4
78.95071	0.3
79.01849	6.7
79.17782	0.3
85.02892	0.5
93.03426	0.4
97.01806	0.3
97.02881	1.4
98.21380	0.4
101.50182	0.3
107.01319	1.0
109.02884	0.6
111.00794	1.6
119.04871	0.3
120.54922	0.3
121.02884	1.7
123.04425	0.6
125.02344	4.7
127.03911	0.4
135.04404	0.4
137.02325	4.7
138.61760	0.3
143.03387	9.3
143.04504	0.5
145.06480	0.4
147.04405	0.9
149.02301	0.6
153.01817	100.0
153.02814	3.9
154.02158	1.2
161.05991	0.6
163.03877	1.1
165.01831	2.7
169.04678	1.1
173.05887	0.7
183.02797	0.9
183.04314	0.6
187.03915	0.5
191.03339	0.4
201.05469	2.8
205.04886	0.4
219.06506	0.6
228.04199	0.4
229.04945	7.4
229.08484	0.4
236.48834	0.3
247.05957	1.3
252.22127	0.3
257.04462	3.9
257.07318	0.4
257.08124	0.4
274.04675	1.3
275.05502	1.4
285.03922	3.1
285.07224	0.4
303.04974	86.0
304.05380	2.3
309.03659	5.6
315.04135	0.4
345.04510	1.4
363.05533	0.7
367.14224	0.3
455.05908	31.9
455.21964	3.2
456.06430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06578	11.1
66.68383	10.3
69.45911	100.0
81.07042	21.8
85.02902	19.7
97.02888	20.5
109.02876	15.2
127.03903	32.2
127.97239	9.8
137.05986	17.6
143.03462	13.7
151.03850	17.7
153.01790	94.1
155.74553	11.7
173.08040	19.9
179.03343	14.3
181.04976	38.4
194.04475	15.0
195.04942	13.8
196.02426	12.4
197.00844	11.3
345.06430	11.1
385.81458	12.5
452.11160	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	451.1232
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
50.86512	2.0
53.03930	5.7
55.01861	3.9
55.05503	4.9
56.96552	2.2
57.03429	7.6
58.61422	1.8
61.93224	1.8
63.90087	2.2
65.03941	2.1
67.05486	2.7
67.69780	2.1
67.98820	1.9
69.03422	15.3
69.50397	2.0
70.06589	2.5
71.04980	7.0
71.59346	1.7
71.70094	2.1
72.08137	1.9
73.02901	2.4
79.05484	5.8
81.03408	18.4
81.07037	16.1
83.04968	7.7
83.06083	2.8
83.08609	3.0
84.04489	2.9
85.02898	32.9
85.06517	2.2
91.05497	3.6
92.78743	2.0
95.08633	2.9
97.02887	22.0
97.06509	2.7
98.97576	3.3
99.04422	14.7
99.08092	9.6
103.03933	12.1
107.04948	57.4
109.02856	15.7
109.06523	10.7
109.21775	2.0
111.04416	5.7
117.09101	12.0
120.08067	4.0
121.02843	13.5
123.04398	7.1
123.08027	2.5
124.03954	5.6
125.02350	2.1
127.03908	41.7
127.07558	12.6
135.04416	10.1
137.02306	10.8
137.05978	5.6
139.03896	11.9
141.06940	2.7
145.04968	8.3
147.04367	6.2
149.02325	60.7
149.06071	2.4
153.01813	100.0
157.08699	2.1
163.02621	2.7
163.03915	9.1
165.01791	3.4
165.05486	2.6
167.03384	7.7
169.06522	5.1
173.08080	19.6
183.02863	4.4
187.07623	2.5
191.03339	2.1
194.04414	2.9
195.02863	16.4
195.10092	3.3
197.06009	5.5
203.03493	2.1
215.06998	60.2
219.02933	2.5
225.11205	3.4
239.06911	3.8
243.06525	49.8
243.12137	4.2
260.11374	5.1
261.04053	2.3
261.13345	5.9
268.08325	2.6
271.05966	26.4
271.08459	3.2
275.16592	2.5
283.06119	2.4
285.07617	2.3
287.05582	2.5
289.07080	59.6
289.15790	3.7
301.07028	3.1
331.13962	5.2
371.16934	2.5
389.12238	4.8
397.09232	2.4
415.16122	4.7
433.11417	3.3
451.11993	6.1
451.21182	6.7
473.15759	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	451.0871
Annotation	Myricetin-3-Xyloside
Peak:m/z	Relative Intensity
53.03942	0.3
55.01862	0.5
56.96558	0.3
57.03428	0.4
61.02914	0.3
65.41244	0.2
67.01850	0.3
67.05477	0.3
68.99785	2.1
69.03420	1.0
70.06625	0.2
70.06953	0.7
71.04983	0.4
72.08144	0.4
72.73450	0.2
73.02892	0.7
79.01855	0.4
79.05468	0.8
81.03404	0.9
81.07043	0.6
83.04960	0.5
84.96028	0.3
85.02901	2.8
91.05465	0.6
93.07037	0.3
95.01286	0.2
95.04964	0.6
95.08562	0.4
97.02882	1.9
97.28767	0.2
98.20809	0.3
98.97569	0.3
99.04444	0.8
99.08091	0.4
101.06026	0.2
103.03975	0.2
103.05453	0.6
105.06959	0.4
107.01234	0.4
107.04955	2.5
109.02879	1.2
109.06512	0.4
111.00807	1.8
111.04443	0.6
116.98629	0.2
117.09175	0.2
119.04906	0.3
120.08117	0.4
121.02876	0.5
121.06497	0.5
122.03735	0.2
123.04402	1.5
125.02371	1.4
126.03125	1.0
127.03915	3.2
127.07539	0.7
131.04915	0.7
133.06430	0.2
133.10144	0.3
135.04396	1.2
137.02332	2.9
137.05937	2.2
139.03888	0.9
141.05510	0.2
143.03349	0.3
145.04956	0.2
145.06400	0.3
147.04381	1.2
149.02348	0.3
149.05975	2.4
151.03891	0.7
151.07527	0.3
153.01819	14.7
153.05443	8.0
159.04362	0.3
161.05971	0.7
163.03882	1.6
163.07536	0.5
165.01830	9.4
165.05536	0.3
166.02538	0.5
167.03368	0.8
167.06982	0.3
169.06580	0.2
171.04359	0.2
173.05962	0.3
173.08090	0.5
175.03912	0.5
175.07666	0.2
177.05507	1.5
179.03386	3.9
183.02882	0.9
183.04291	0.2
183.08112	0.2
185.08205	0.2
187.07571	0.3
189.05421	0.6
192.04083	0.2
193.01286	0.4
195.02861	4.5
199.03824	0.4
201.05492	0.3
203.03404	1.6
203.06995	0.2
205.05081	0.3
207.02872	3.7
209.04401	0.3
213.09087	0.3
217.04932	1.8
221.04402	1.4
227.03316	0.8
229.04944	0.7
231.02927	0.8
232.03625	1.3
235.02388	0.7
237.02811	0.2
245.04448	6.4
249.03964	1.0
255.02911	0.9
259.02414	0.3
263.05545	0.8
271.05844	0.2
271.09631	0.5
273.03918	11.3
274.04285	0.4
283.02475	0.8
287.05444	0.5
288.05804	0.6
289.06506	1.1
289.10696	0.7
290.04211	2.6
301.03406	2.6
309.61310	0.2
319.04459	100.0
320.04803	2.6
331.13782	0.4
388.03427	0.2
433.16602	0.4
451.08673	4.2
451.17560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59551	0.7
51.88902	0.8
53.37988	0.8
54.67640	0.8
55.39669	0.9
56.96559	7.0
61.04526	0.8
70.56155	0.8
70.98122	1.3
71.58247	1.3
84.08101	0.9
84.96003	1.0
85.02917	1.5
88.99178	1.2
98.97573	7.2
110.97586	1.3
116.98645	4.9
119.01898	2.9
126.77424	0.8
128.98615	2.0
133.03494	1.8
134.99626	2.4
142.96550	0.9
146.99678	1.9
149.01244	1.2
149.06555	1.6
158.99649	2.9
161.06606	1.3
165.00653	1.4
172.97537	2.1
173.01247	1.4
173.02945	1.1
177.00700	1.9
189.00754	1.0
189.02415	1.7
190.98625	4.9
193.00256	1.6
202.98601	1.2
203.07744	1.9
205.00226	2.6
208.99715	1.8
209.06847	1.2
215.07642	2.5
219.01732	1.6
221.04987	1.3
232.99629	1.9
237.02863	3.5
248.99161	3.5
263.00705	1.6
267.00137	2.1
281.01785	2.5
295.06876	1.7
298.73401	0.9
305.01810	1.1
305.10858	5.6
321.10379	1.5
323.03055	1.5
323.11810	1.4
358.98804	0.9
377.00226	2.1
390.03915	0.9
391.02390	1.6
436.96652	1.0
451.04807	100.0
452.05014	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86893	0.3
70.03646	1.1
70.04057	0.6
92.82647	0.3
113.53104	0.3
134.37383	0.3
142.83334	0.3
173.37187	0.3
245.00632	0.5
263.45590	0.3
301.03036	0.5
377.67419	0.3
391.02719	1.1
433.04102	0.5
451.04831	100.0
452.05185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01886	2.2
55.05511	11.2
57.03430	7.1
60.20914	1.5
67.05499	28.7
69.03431	3.4
69.07062	6.3
69.49565	12.1
70.06583	5.4
71.04984	7.8
71.71985	2.0
72.07752	4.7
72.08151	95.6
79.05489	38.2
81.03406	6.1
81.07051	25.8
83.04973	13.4
83.08600	4.4
85.02902	7.5
87.16073	1.6
91.05482	32.3
93.07037	29.9
95.04976	13.3
95.08607	17.3
97.02851	2.8
97.06524	6.3
97.10177	2.2
105.07036	22.3
107.04962	6.8
107.08575	10.6
109.06499	5.3
109.10168	2.2
111.08096	1.8
115.05460	1.8
117.03413	1.9
117.07040	3.4
119.08595	13.9
121.06489	2.4
121.10091	2.2
123.04432	2.8
123.08089	3.4
129.07002	5.2
131.08527	3.6
133.10127	7.8
135.11639	2.0
137.05991	5.8
143.08580	4.3
145.02777	2.7
145.10117	4.9
147.04419	5.1
147.08044	2.0
147.11685	22.0
150.75775	2.1
155.65388	1.9
161.13252	6.6
163.03912	3.2
167.03546	2.6
170.05765	59.2
171.11661	14.7
177.05476	6.7
189.12729	4.3
207.13762	11.2
273.12347	4.9
281.17477	100.0
287.05463	6.0
288.05890	13.0
303.04941	6.9
304.05222	13.0
373.89548	2.3
451.11160	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	449.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.1
55.01864	3.8
55.05261	1.9
55.05508	28.3
56.96552	2.0
57.03440	12.6
57.07055	2.5
65.03927	6.3
67.05502	99.7
68.05832	1.7
69.03440	2.7
69.07062	32.6
70.66243	3.3
70.66632	3.1
71.01337	4.2
71.04984	7.6
73.02930	2.0
77.03883	1.8
79.05490	81.4
80.05830	1.3
81.03406	9.9
81.07053	100.0
83.04978	14.2
83.08614	15.0
85.02901	3.5
85.06548	8.5
91.05474	39.7
93.07040	92.1
94.07375	2.6
95.04959	16.7
95.08595	23.8
97.02890	1.4
97.06523	21.6
97.10162	9.1
97.84885	1.4
99.04480	2.1
99.08084	4.4
105.07014	16.5
107.04956	3.2
107.08594	52.8
109.06512	4.1
109.10134	7.8
111.08068	6.7
117.07034	15.4
119.08572	11.2
121.06496	3.5
121.10152	20.5
123.08079	2.4
123.11667	4.0
125.09628	4.4
129.06981	2.6
131.08559	8.8
133.10136	11.9
135.08070	2.6
135.11690	55.2
139.11127	1.8
143.08487	1.7
144.14813	1.3
145.10104	8.3
147.11665	5.5
149.13254	31.1
151.11253	2.0
153.12704	3.4
159.11682	12.8
161.13228	1.7
163.11172	6.4
171.11685	3.5
177.12697	6.6
181.12202	9.2
195.13795	11.1
202.28351	1.4
207.13791	4.2
213.14813	2.3
247.08449	2.2
267.09009	1.7
269.10654	1.6
287.05505	5.2
303.05005	5.4
304.05365	1.9
313.50824	1.5
321.05713	1.5
357.24103	3.4
367.17941	3.1
431.27695	3.0
449.12271	3.7
449.28967	73.0
450.29578	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	449.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
55.01863	1.1
55.05509	17.6
56.96561	0.7
57.03435	1.6
57.07064	2.1
59.05000	1.5
65.03943	3.1
67.05502	64.6
68.05833	0.5
69.03429	0.9
69.07065	7.5
71.04991	6.8
71.08640	0.6
72.08146	0.6
73.06552	1.8
79.05489	44.8
81.03416	5.1
81.07053	100.0
82.07402	0.7
83.04978	7.4
83.08616	6.3
85.06537	9.9
87.04475	0.8
91.05479	31.8
93.07042	30.5
95.04971	11.9
95.08603	15.6
97.06504	2.5
97.10165	2.7
98.21518	1.2
102.72608	0.6
103.05505	0.6
105.04535	1.2
105.07026	23.9
107.04943	3.7
107.08588	12.0
109.06520	2.7
109.10163	6.1
111.08073	1.1
115.05484	0.5
117.07002	4.7
118.18571	0.6
119.08576	11.7
121.06497	1.9
121.10150	3.7
123.08041	2.9
123.11699	10.6
125.09656	0.9
127.07540	0.9
128.06235	1.4
128.28108	0.6
129.06996	8.0
129.07893	0.9
130.07820	0.6
131.08586	3.1
133.06543	0.6
133.10121	13.0
135.11716	2.8
143.08563	3.8
145.10127	5.2
147.08055	1.2
147.11684	17.4
149.13301	1.0
150.60030	0.5
151.11188	4.7
155.08621	0.5
159.11766	0.9
161.09636	2.8
161.13258	6.9
162.69353	0.5
169.10049	0.9
169.12262	1.5
171.11682	13.8
172.11975	0.6
173.13336	0.5
177.12769	0.7
187.13277	7.4
189.12752	6.2
207.13783	13.7
225.14900	3.2
243.15947	0.8
286.07419	0.6
287.05499	1.0
303.05011	0.9
431.28253	1.4
449.29004	43.6
450.29535	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	449.1441
Annotation	Homobutein 4'-O-glucoside
Peak:m/z	Relative Intensity
54.91469	0.6
65.28519	0.6
68.99776	0.7
69.03421	0.6
69.29193	0.9
69.29588	6.6
71.04976	1.7
73.02905	2.5
81.03413	0.8
85.02900	3.5
87.04472	0.8
91.05470	3.0
95.04958	1.2
107.04933	2.1
119.04935	9.5
121.02847	2.1
123.04411	2.6
129.05473	0.7
137.02313	0.9
145.02841	1.4
147.04398	32.3
153.01790	2.0
165.01889	1.2
167.03392	61.6
168.03677	0.6
177.05428	2.8
185.04393	2.8
189.05525	0.7
201.05496	0.7
204.83662	0.7
208.27162	0.7
229.04947	1.4
257.04340	1.1
287.05502	13.9
287.09073	100.0
288.09503	1.4
301.06982	6.1
302.07446	6.1
303.04877	21.4
303.07706	11.1
314.67667	0.7
317.06378	2.0
337.53476	0.6
345.04938	1.9
386.81793	0.6
395.06696	0.9
434.12726	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	6.8
55.05501	18.7
57.03429	11.0
60.04201	5.3
67.05505	52.4
69.03419	7.9
69.07059	19.6
70.01443	26.2
71.04984	20.1
72.62531	4.5
79.05498	37.0
81.03418	17.8
81.07052	75.8
83.04986	10.8
83.08604	20.5
84.22023	5.1
85.02905	17.2
91.05466	36.9
93.07039	30.3
95.04955	19.2
95.08605	43.2
97.06535	22.4
97.10166	12.6
105.07030	39.8
106.92033	5.5
107.04955	6.8
107.08598	19.1
109.06518	5.6
109.10155	11.4
111.08060	8.5
117.07035	6.3
119.08585	27.0
121.06451	6.6
121.10135	23.3
123.11684	6.7
125.09647	5.9
129.07016	7.9
131.08575	10.4
133.10146	18.2
133.16650	5.0
135.08020	7.9
135.11629	6.0
137.02396	6.5
137.06023	6.9
145.10202	11.3
147.04419	14.9
147.11682	20.0
149.13327	6.0
151.11275	5.9
165.12788	12.9
175.11253	5.5
193.12216	14.5
211.13300	14.2
215.17928	16.3
233.18982	9.6
251.20026	40.3
262.25107	7.0
269.21033	23.7
287.05463	100.0
288.05884	9.4
303.05014	52.0
357.23862	8.1
431.27878	16.0
449.10745	6.2
449.28958	39.8
450.28351	10.6
466.76801	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	449.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.1
55.01867	0.2
56.96547	0.2
58.06587	0.2
58.21547	0.1
65.03923	0.2
67.01868	0.1
68.99787	0.9
69.03403	0.3
69.47385	0.1
71.04984	0.1
71.59368	0.1
79.05484	0.3
81.03407	0.2
85.02911	0.5
89.03906	0.2
90.04227	0.1
91.05452	0.2
95.04951	0.2
97.02881	0.1
103.05483	0.1
105.03382	0.5
105.06979	0.1
107.04966	0.7
109.02867	0.5
111.00800	1.1
111.04408	0.2
115.05411	0.1
117.03367	0.5
117.07043	0.1
118.03706	0.1
119.04911	0.2
121.02862	3.9
121.06518	0.1
123.04415	0.1
127.03905	0.2
129.07011	0.1
133.02856	0.7
135.04399	0.3
135.08034	0.1
137.02338	1.3
137.05893	0.1
139.05579	0.1
141.06932	0.1
142.79259	0.1
145.02838	0.9
145.06511	0.4
146.03156	0.6
147.04398	0.9
149.05968	0.3
150.06339	0.1
151.03886	0.1
153.01822	6.4
154.02142	0.1
155.05997	0.1
157.06439	0.6
161.05971	0.3
163.03894	0.1
163.07512	0.2
165.01836	2.5
166.02405	0.1
167.07024	0.3
169.06445	0.1
171.02940	0.1
171.04396	0.3
175.03874	0.2
175.07574	0.1
177.05466	1.3
178.05815	0.8
183.02878	1.2
185.05963	0.7
189.05476	0.2
191.03325	0.1
193.01355	0.1
195.10081	0.1
197.05933	0.2
198.78314	0.1
201.05402	0.2
203.03389	0.1
203.07025	0.2
213.05473	2.1
213.11209	0.2
217.04951	0.1
229.04970	0.1
231.06474	1.0
241.04974	1.2
243.06552	0.2
245.04352	0.1
258.02460	0.1
258.05234	1.7
259.06027	0.7
269.04498	0.3
285.03934	0.1
286.04715	0.1
287.05478	100.0
288.05814	2.5
303.04877	0.2
389.79318	0.1
407.03500	0.1
449.10910	0.4
449.19876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
50.80948	0.1
55.01868	0.2
61.47255	0.1
64.51203	0.1
68.99785	0.4
69.03410	0.2
70.00909	0.3
70.01327	0.3
70.06586	0.8
71.04989	0.2
81.03410	0.2
85.02892	0.4
86.09701	0.1
91.05463	0.1
98.21403	0.1
105.06984	0.1
107.04938	0.2
109.02937	0.3
111.00784	0.2
115.05399	0.1
115.53504	0.1
121.02846	0.5
121.06503	0.1
123.04485	0.1
128.06165	0.1
129.06985	0.2
137.02333	2.3
137.03377	0.2
137.05943	0.2
141.06940	0.1
147.03333	0.1
147.04410	0.4
149.02304	0.4
149.05846	0.2
150.03131	0.2
153.01825	0.9
157.06483	0.4
161.05920	0.3
165.01823	0.5
171.04399	0.2
175.03934	0.2
177.05405	0.3
183.02867	0.1
185.05962	0.5
189.05461	0.4
194.55318	0.1
203.06940	0.1
213.05453	2.3
216.04265	0.2
217.04910	0.1
231.06491	0.9
241.04953	1.2
242.05705	0.3
258.05222	0.3
259.06073	0.2
262.04242	0.1
269.04370	0.3
270.05258	0.2
277.95865	0.1
287.05466	100.0
288.05804	2.2
303.04865	0.9
315.04749	0.1
320.54095	0.1
327.05078	0.2
341.06650	0.1
345.06125	0.3
413.08762	0.2
431.09515	0.2
449.10751	1.6
449.19833	0.2
462.21240	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1076
Annotation	Kaempferol-3-O-glucoside
Peak:m/z	Relative Intensity
57.03421	0.2
61.02915	0.1
68.99788	0.4
69.03427	0.5
70.07224	0.4
71.04975	0.1
79.05466	0.1
81.03408	0.2
85.02417	0.1
85.02896	1.8
91.03952	0.1
97.02880	0.3
103.05376	0.1
105.03382	0.3
107.04928	0.2
109.02874	0.3
111.00792	0.7
115.03821	0.1
116.61525	0.1
121.01994	0.1
121.02860	2.3
125.65543	0.1
127.03879	0.5
129.05406	0.1
129.07031	0.1
133.02812	0.4
135.04398	0.1
137.02344	0.7
145.04922	0.1
145.06491	0.2
147.04419	0.4
153.01825	3.4
157.06476	0.3
161.05989	0.2
165.01814	1.6
171.04370	0.2
172.95468	0.1
183.02890	0.8
185.05965	0.4
189.05313	0.1
197.05991	0.2
203.06979	0.1
213.05479	1.1
229.04938	0.1
231.06522	0.5
241.04903	0.6
254.25790	0.1
258.05231	1.2
259.06021	0.4
269.04355	0.2
286.04974	0.1
287.05481	100.0
288.05811	3.3
303.05017	0.8
311.05475	0.1
329.06470	0.6
449.10794	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	449.1077
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.58728	0.1
55.47349	0.2
57.03435	0.3
59.09689	0.1
65.03931	0.2
68.99810	0.2
69.03420	0.2
70.07253	0.7
71.04973	0.2
71.33910	0.1
73.02906	0.8
81.03407	0.4
82.94756	0.1
83.01363	0.7
85.02908	0.3
91.78727	0.1
93.03385	0.3
95.04949	0.5
105.03405	0.2
109.02883	0.3
116.63779	0.1
121.02877	1.2
123.04417	0.6
125.02347	0.7
132.53058	0.1
135.04384	0.2
137.02339	3.5
137.03342	0.3
141.06969	0.2
145.06483	0.3
147.04408	0.2
149.02328	0.4
151.03902	0.8
159.08054	0.2
163.03896	0.6
163.65372	0.2
165.01840	0.2
167.03400	5.2
169.06522	0.3
177.05385	0.2
178.27260	0.1
179.03383	2.8
180.04153	0.3
187.07584	0.3
193.04948	0.2
197.04396	0.8
197.06018	0.5
200.04631	0.4
205.04979	0.1
209.04401	0.4
215.07007	2.0
225.05476	0.2
227.06837	0.2
229.04881	0.2
233.08005	0.4
241.04929	0.3
242.05666	0.4
243.06509	4.8
261.07458	0.7
271.06024	2.7
287.05508	4.0
288.06241	1.0
289.06940	0.2
299.05524	1.2
300.06601	0.2
303.04892	1.0
305.05627	0.2
315.04938	0.4
317.06537	100.0
318.06885	3.7
428.00900	0.2
449.10797	3.2
449.20868	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
52.13651	0.4
56.96019	0.4
61.02923	4.3
66.00548	0.3
68.99786	0.8
69.03421	0.6
70.77004	0.5
70.77369	1.3
73.02898	1.3
79.79938	0.4
81.03403	0.8
83.55428	0.4
85.02901	4.2
91.03944	3.3
97.02882	2.5
107.04970	0.5
111.00800	0.5
121.02836	2.2
127.03941	0.9
133.02831	0.4
137.02338	1.5
145.05013	0.5
153.01810	4.5
165.01845	1.9
183.02858	0.8
213.05508	1.4
229.05063	1.0
231.06479	0.8
237.41983	0.5
241.05122	0.5
257.04376	0.8
258.05295	0.6
287.05484	100.0
288.05826	2.9
303.04974	40.2
304.05283	1.7
353.06653	0.5
449.10791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
53.45963	1.5
57.03434	3.2
69.29144	1.8
69.29348	2.9
69.29755	12.6
71.04990	29.8
83.04958	1.3
85.02901	26.9
98.21579	1.7
129.05505	7.3
137.02354	4.5
153.01855	6.2
201.05748	1.7
229.04967	4.1
237.40300	1.5
257.04355	2.6
287.05484	2.1
303.04974	100.0
304.05121	2.2
310.22955	1.7
345.05991	3.2
395.07401	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	449.1075
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
52.22493	1.0
54.44023	1.0
64.46763	1.0
68.99794	1.4
69.52921	1.7
69.53203	1.3
69.55779	9.0
71.04997	7.1
73.02905	4.2
85.02894	9.9
87.04462	1.2
98.21549	2.2
105.07081	1.2
112.05460	1.1
119.04914	1.6
121.02865	10.7
129.05455	1.3
137.02376	1.5
143.45068	1.3
147.04390	8.5
153.01813	6.6
153.36208	1.3
157.04378	1.2
165.01805	2.8
167.03394	12.0
183.02847	1.8
229.04985	1.4
231.06282	1.1
257.04425	6.1
258.05115	1.4
285.03894	9.1
285.06854	1.4
287.05478	100.0
287.08987	22.5
288.05798	3.5
303.04996	58.1
304.05328	2.6
305.05637	2.0
449.10727	3.1
449.21518	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	448.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
54.06932	0.3
55.01868	0.4
55.05507	0.9
57.03434	4.4
59.04999	0.2
61.02909	0.5
65.03923	0.2
65.58038	0.2
67.05484	0.2
68.99786	0.7
69.03439	1.2
69.29578	2.2
71.01340	0.4
71.04987	29.0
73.02901	1.2
75.04473	1.7
77.07339	0.2
77.97319	0.2
79.05466	0.3
80.14734	0.2
81.03408	0.5
83.04975	3.3
85.02896	42.1
86.06069	0.2
87.04442	1.0
91.03911	0.4
97.02881	2.3
98.02360	0.2
99.04449	0.9
101.05981	0.4
103.03925	0.5
105.07027	0.8
107.04959	0.6
109.02870	1.1
111.00790	0.8
111.04417	2.1
121.02852	2.7
127.03902	2.5
129.05467	16.7
133.02808	0.3
137.02332	1.4
141.07056	0.3
145.04939	2.9
145.06068	0.3
145.06430	0.2
146.08089	0.5
147.04411	0.7
147.06511	9.7
153.01810	5.5
153.02982	0.4
157.06493	0.5
163.03889	0.2
163.06035	1.1
164.09164	2.5
165.01808	2.5
165.07550	0.2
168.89943	0.2
171.04385	0.3
175.03995	0.3
178.61330	0.2
183.02888	1.1
185.05954	0.7
197.06146	0.2
201.05443	0.4
203.07101	0.2
213.05467	1.6
215.10617	0.3
221.69495	0.2
225.07458	0.2
229.04901	0.7
231.06494	0.7
237.07588	0.2
241.04877	1.2
255.08765	0.9
257.04425	0.3
258.05154	1.5
259.06024	0.6
273.09583	0.6
285.13058	0.2
287.05466	100.0
303.01483	0.5
303.04941	6.9
304.05301	2.0
309.11768	0.4
329.06393	0.3
336.72003	0.2
448.09363	0.3
449.10718	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	448.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
55.05504	0.9
56.05022	1.1
56.96553	2.1
57.03432	1.2
57.07047	0.7
58.06597	8.2
60.04528	6.7
61.02918	1.0
65.03931	0.8
66.37946	0.6
68.99783	0.7
69.03434	3.3
70.06591	9.0
71.04983	1.7
72.08170	0.9
73.02911	0.7
74.06075	1.7
79.05485	1.6
80.96405	0.6
81.03420	2.4
82.06564	2.2
83.04973	3.7
84.04503	1.4
84.08136	3.2
85.02895	7.1
85.06554	4.2
86.09693	2.7
87.04474	1.2
87.10046	0.6
89.03903	7.8
91.05450	3.0
93.07016	1.8
95.04984	1.6
96.04469	0.7
97.02883	3.2
98.21500	1.7
100.07629	1.0
102.05541	0.6
102.09176	6.4
104.07108	0.6
105.03368	1.1
105.07014	1.3
106.04222	0.7
107.04933	1.6
108.08096	1.1
109.02872	1.0
109.06524	1.5
111.00791	0.6
111.04463	0.6
117.03375	21.8
119.04951	2.9
119.08592	1.1
121.02858	2.8
121.06511	1.6
123.04416	2.3
126.09120	0.7
127.03905	0.7
131.08560	0.9
133.10176	1.2
134.03629	1.3
134.09648	0.7
135.04433	1.8
135.08003	1.3
137.02313	1.3
137.05965	2.8
139.03973	0.6
143.04822	0.6
143.22496	0.6
145.02844	56.5
145.10097	0.6
147.04427	3.5
147.08047	1.6
149.05965	8.2
149.09650	0.8
151.07527	1.6
153.01837	7.1
155.07054	1.2
161.05968	1.5
161.09641	1.2
162.03032	0.8
162.06755	1.3
163.03925	0.9
163.07535	0.8
164.10759	0.7
165.01834	2.0
165.09093	4.1
167.07018	2.0
168.07857	0.6
173.09586	0.6
175.03925	2.8
177.05469	82.5
178.05797	0.7
179.07043	5.2
180.07668	0.7
183.02965	1.4
185.05942	0.9
186.05568	0.6
189.09125	1.2
194.11729	1.2
195.10243	0.7
201.05539	1.4
206.11845	0.7
207.10185	2.7
212.10706	1.1
212.12819	4.8
213.05444	2.4
216.14594	0.7
221.08128	1.8
224.12842	3.6
225.11215	2.1
227.12779	0.9
229.41313	0.6
231.06516	0.7
232.13348	0.7
241.04982	1.0
242.13936	1.6
250.14345	1.5
258.05310	1.1
264.14334	3.4
264.28281	0.6
268.15439	10.6
281.87134	0.6
286.16513	14.4
287.05487	100.0
303.04956	0.7
305.07568	1.2
323.08090	1.4
325.10614	2.0
337.10773	1.1
341.10287	0.9
349.05869	1.6
355.11740	0.8
367.06732	0.7
373.12735	1.9
407.06674	0.6
425.07437	1.3
430.20535	3.4
448.16104	0.9
448.21713	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42086	1.4
53.03944	6.7
55.01856	6.3
55.05512	24.3
56.96549	3.3
57.03436	12.2
57.07074	1.7
61.02905	4.5
65.03928	2.9
67.05500	62.7
69.03442	3.6
69.07065	12.5
69.93619	1.3
70.55556	4.1
70.55954	2.7
71.01351	4.2
71.04978	4.4
73.02907	2.0
77.03937	1.4
79.05492	54.2
81.03416	62.9
81.07056	37.8
83.04984	12.0
83.08614	21.1
85.02876	4.6
85.06544	3.5
91.03940	3.4
91.05470	41.9
93.07042	50.4
95.04966	41.8
95.08611	16.6
97.02894	6.7
97.03443	1.6
97.06518	10.8
97.10171	13.4
103.05465	2.5
105.07023	26.1
105.07678	2.2
105.63478	1.3
107.04947	12.2
107.08588	24.3
109.06496	5.5
109.10143	8.8
111.08064	8.3
115.05428	3.4
117.07025	13.3
119.08575	19.4
121.06501	12.7
121.10152	8.7
123.04443	1.5
123.08080	4.5
125.09611	12.4
128.06201	3.3
129.07007	17.2
131.04912	3.0
131.08569	18.3
133.06500	5.6
133.10095	10.9
135.08058	6.0
135.11690	34.1
137.09560	1.5
141.06946	2.8
142.07764	2.0
143.08545	8.4
145.06480	9.4
145.10130	13.9
147.08035	5.9
147.11708	8.8
149.09599	8.1
153.09070	1.8
153.12663	1.8
155.08546	3.6
157.06514	3.0
157.10100	9.7
159.08057	3.4
159.11688	4.8
163.11227	11.9
169.10060	2.6
171.08102	2.4
171.11690	2.9
173.13156	2.2
175.11194	9.2
177.12665	1.5
181.10068	1.6
181.12254	5.7
183.08102	2.3
183.11708	4.0
185.13255	4.5
187.11183	4.7
189.11212	6.4
193.12218	30.0
193.13852	2.4
199.11182	2.0
199.14799	1.8
201.12807	2.5
203.14313	6.2
205.12117	2.0
211.11298	1.7
211.13229	3.7
221.03079	1.4
223.13258	1.6
225.12706	2.5
227.12726	2.7
237.14848	1.6
239.14244	1.6
243.13670	1.7
245.15295	1.8
249.14900	5.4
267.08984	3.0
267.15891	4.0
269.10602	3.3
283.80127	1.6
285.10147	4.5
287.11658	2.9
303.05414	1.8
316.11676	2.7
316.61871	3.2
317.12912	1.5
324.61725	2.3
327.23172	2.0
329.21185	7.5
337.21664	9.5
347.22412	2.6
355.22726	19.4
373.23605	11.1
391.24387	2.5
393.24039	2.3
403.24899	7.1
411.25858	1.6
429.26358	13.2
447.27380	100.0
448.27878	2.8
468.28946	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	447.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.2
55.01852	5.4
55.05507	28.1
57.03431	11.8
59.05005	2.1
61.02917	2.9
64.49126	1.4
64.88913	1.7
65.03938	2.4
67.05172	2.7
67.05503	50.8
69.03409	6.1
69.07069	12.7
70.66487	4.6
71.01333	3.5
71.04980	5.5
79.05060	3.0
79.05490	47.9
81.03412	55.9
81.07053	39.6
83.04983	12.5
83.08611	19.7
85.02891	3.9
85.06528	2.2
91.03942	2.0
91.05470	46.2
93.07035	44.7
95.04960	42.9
95.08600	14.8
97.02879	4.7
97.06510	8.4
97.10167	16.0
97.36236	1.3
99.08062	2.7
103.90924	1.4
105.04539	1.9
105.06361	3.0
105.07024	29.1
107.04952	14.0
107.08584	26.5
109.06507	5.3
109.10159	9.7
111.08067	5.8
115.05426	2.6
117.06992	17.4
119.04938	2.1
119.08566	22.8
121.06478	13.4
121.10137	10.5
123.04428	2.0
123.08046	6.1
125.09615	11.4
128.06229	4.5
129.06998	15.4
130.07762	2.4
131.04971	4.0
131.08565	19.3
133.06474	7.2
133.10132	12.8
135.08052	6.5
135.11668	28.7
137.09596	2.1
141.06969	5.2
142.07736	3.7
143.08601	9.2
145.06520	9.9
145.10106	14.1
147.08035	7.0
147.11687	5.5
149.02359	2.3
149.09622	7.7
155.08585	6.7
157.06487	2.2
157.10092	11.0
159.08096	5.6
159.11696	7.5
161.09579	3.2
163.11159	11.3
167.08598	3.3
169.10176	4.6
171.08098	2.0
171.11732	2.9
173.09711	1.6
175.11151	8.7
177.12759	2.1
181.10152	2.8
181.12254	4.1
183.11673	3.9
185.09587	1.8
185.13234	6.0
187.11148	5.3
189.09360	2.4
189.11195	6.2
193.12225	21.9
197.13326	1.9
199.11195	3.6
201.12738	3.6
203.14273	7.6
205.12178	2.9
211.13216	4.1
221.13365	2.3
225.12662	2.1
239.14268	1.8
243.13702	2.6
249.14813	4.2
257.15298	3.2
261.14807	4.2
267.15985	4.3
319.20349	2.0
327.23169	3.8
329.21213	6.2
337.21628	10.1
347.22018	2.7
355.22708	22.9
355.26810	2.7
373.23785	10.7
385.23694	1.8
391.24588	3.0
403.24619	8.6
411.25314	2.9
429.26291	23.4
447.27371	100.0
448.27637	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	447.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.6
53.03928	7.6
55.01857	7.6
55.05513	30.2
56.96529	2.3
57.03438	12.5
59.04985	2.0
61.02919	5.5
65.03920	7.7
67.05505	60.9
67.76521	1.9
68.05833	2.1
69.03413	5.8
69.06773	1.5
69.07067	17.8
69.37265	6.5
69.37685	13.4
71.01350	4.6
71.04973	7.4
71.82038	1.7
73.02907	3.7
77.74644	2.0
79.05490	64.1
80.05826	1.7
81.03412	60.4
81.07055	46.1
83.04990	15.6
83.08615	23.1
85.02896	9.4
85.06538	5.2
87.04441	1.7
87.35524	2.0
91.03947	4.9
91.05479	62.6
93.07044	46.6
95.04964	42.8
95.08596	20.8
97.02885	8.5
97.06509	8.7
97.10166	18.8
99.08027	2.4
101.02386	2.9
105.07018	43.3
107.04961	17.2
107.08596	32.9
107.17374	1.9
109.02861	2.1
109.06503	7.5
109.10156	10.9
111.08061	9.4
115.05451	4.5
117.06999	21.7
119.04926	3.4
119.08571	28.2
121.06503	14.7
121.10150	13.2
121.10878	2.2
123.08041	5.5
123.11657	1.8
125.09666	10.3
127.03903	2.5
128.06241	3.3
129.06999	17.9
131.04947	5.8
131.08577	23.4
132.29283	1.8
133.06477	6.6
133.10126	19.2
135.08049	7.1
135.11696	31.1
137.09605	4.7
141.06985	6.3
142.07748	5.5
143.08572	11.2
145.06479	11.9
145.10141	16.3
147.08089	8.9
147.11646	10.6
149.02353	3.6
149.09612	7.7
155.08559	6.8
157.06474	2.8
157.10156	15.6
157.48792	2.0
159.08052	5.2
159.11659	7.1
161.09659	5.0
163.11163	11.7
165.12752	3.4
167.08549	3.5
169.10130	5.6
171.08067	2.9
171.11687	4.7
173.09567	2.9
175.11162	12.8
181.12219	4.2
183.11687	5.1
185.09641	1.9
185.13284	10.1
187.11118	5.1
189.11212	7.0
193.10544	3.4
193.12230	23.0
196.08795	2.4
201.12813	3.7
203.14250	5.4
211.13289	6.2
213.12897	2.7
219.13777	2.5
223.13217	2.4
225.12662	2.2
227.12732	3.4
231.13803	2.6
257.15323	2.8
261.14774	5.0
285.17020	4.6
303.05109	2.4
308.53558	1.9
327.23361	2.8
329.21097	5.3
331.15674	2.4
332.20050	2.0
337.21527	7.5
349.16589	2.8
355.22592	25.7
355.26346	3.3
367.17798	3.4
373.23724	11.2
392.10809	2.2
403.24637	5.4
411.25174	3.4
429.26196	18.6
447.27356	100.0
448.28217	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	447.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05514	2.0
56.96552	0.7
57.03426	0.9
60.83688	0.3
61.02913	0.5
65.03923	0.5
67.05496	5.0
69.03413	0.6
69.07045	1.0
69.57424	2.0
69.57835	0.4
71.04968	0.7
79.05485	3.8
81.03409	5.2
81.07042	3.3
83.04961	0.9
83.08592	1.2
85.02898	0.5
85.06540	0.6
91.03950	0.4
91.05466	3.4
93.07044	4.6
95.04961	4.6
95.08585	1.9
97.02869	0.7
97.06516	0.9
97.10153	1.3
105.07021	2.0
107.04954	1.3
107.08591	2.6
109.06529	0.9
109.10130	0.9
111.04447	0.3
111.08058	0.4
116.76820	0.3
117.07025	1.6
119.08597	2.1
121.06479	0.9
121.10107	0.9
123.08009	0.4
125.09608	0.9
129.06970	1.1
129.96104	0.3
131.08549	2.2
133.06477	0.6
133.10092	1.2
135.08020	0.5
135.11656	2.2
141.06915	0.4
142.07837	0.3
143.08614	0.6
144.20131	0.3
145.06488	0.8
145.10126	1.3
145.81395	0.3
147.08012	0.5
147.11707	0.5
149.09596	0.4
155.08545	0.5
157.06480	0.5
157.10123	1.0
159.08093	0.3
159.11682	0.6
160.34232	0.3
161.09572	0.4
163.11142	1.0
167.80714	0.4
169.10065	0.4
169.77055	0.3
175.11179	0.5
181.12299	0.3
185.13184	0.6
187.11159	0.5
189.11102	0.7
193.10674	0.4
193.12172	1.8
203.14262	0.6
231.13591	0.4
249.14624	0.3
269.10614	0.9
275.16400	0.3
285.17218	0.5
285.20340	6.9
303.04770	0.4
316.61911	0.4
329.20953	0.9
337.21622	0.6
347.22067	0.5
355.22693	1.8
373.23666	1.2
403.25046	0.8
429.26123	1.6
447.25641	100.0
448.25974	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	447.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.01855	1.5
55.05495	1.9
56.96563	2.5
57.03426	3.2
61.02912	1.9
61.76714	0.7
64.13712	0.8
64.88494	0.7
65.33377	0.7
67.05494	3.0
68.60767	0.8
68.99774	1.2
69.03420	2.2
69.07058	1.8
69.79153	4.5
70.40276	0.7
71.04981	2.3
71.51137	0.7
73.02919	2.5
75.04479	4.2
76.72178	0.8
79.05476	2.9
81.03402	2.3
81.07043	4.0
81.81550	0.8
83.01329	1.7
83.04957	1.4
83.08617	1.0
85.02903	5.3
91.03944	0.8
91.05444	4.1
93.07031	2.5
95.04959	2.9
95.08596	1.4
97.02892	3.4
97.06544	5.2
103.05468	3.0
105.07029	2.8
107.04967	1.6
107.08559	1.5
109.02908	1.0
118.13291	0.7
119.04990	1.8
119.08561	1.2
121.02866	3.3
121.06506	1.4
121.10138	1.0
123.04413	1.5
123.08042	0.8
125.06013	1.0
131.04886	6.1
132.37823	0.8
133.10135	1.8
137.02362	2.8
137.05917	1.1
147.04393	2.1
149.02353	2.2
149.05957	1.0
151.03908	2.3
152.97644	0.8
153.01820	6.8
157.10146	1.0
161.02431	0.8
163.03894	2.2
165.05518	0.8
166.02713	1.0
167.03429	4.5
169.01335	2.1
175.07532	1.1
177.05440	1.6
177.42896	0.8
179.03386	3.9
181.04945	100.0
184.03719	2.9
187.04111	0.8
191.03409	1.4
193.04945	0.8
193.12125	0.9
195.02960	1.6
195.06602	1.0
195.27419	0.8
207.02864	2.9
219.02960	2.1
221.04297	0.8
241.43065	0.9
247.02419	2.3
261.04041	1.2
267.09177	2.5
270.00870	0.8
271.05899	1.7
273.03885	1.1
276.12711	0.8
283.06006	1.2
285.07614	61.9
285.11215	86.8
286.07813	1.7
286.11060	1.2
287.05527	5.4
289.03378	12.5
297.07642	1.7
299.05600	0.9
301.03549	1.7
301.07025	27.9
302.07452	2.4
303.05002	17.8
303.07806	4.6
311.05249	1.0
313.10587	0.9
315.05151	1.8
315.08649	5.2
317.02878	8.1
318.03674	3.0
319.04492	4.8
323.60983	1.2
324.11615	2.8
325.07001	1.7
327.05054	2.3
329.03052	1.5
333.11465	1.1
341.10141	1.1
343.08240	1.9
345.06012	1.9
369.09702	3.2
371.07587	6.4
371.11362	0.7
397.09134	2.0
415.10184	38.4
416.10812	1.5
429.11826	2.7
447.12888	37.6
447.26678	1.2
448.13300	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	447.1284
Annotation	Galangin 3-methyl ether 7-glucoside
Peak:m/z	Relative Intensity
51.69278	0.5
61.02917	1.2
68.99773	1.0
69.03419	1.4
69.07049	0.7
69.43765	0.5
69.58217	3.7
70.20605	0.5
73.02909	7.8
81.03436	1.1
81.07043	1.0
85.02892	2.3
87.04450	1.1
91.03937	0.7
91.05453	0.6
95.08618	0.5
97.02866	1.2
105.07052	0.7
119.04935	2.0
121.02850	2.0
124.93616	0.4
127.03875	0.6
137.02296	2.2
143.20772	0.6
145.02881	0.7
147.11711	1.3
149.02335	1.0
153.01819	3.8
163.03899	0.6
165.01817	1.2
165.12730	1.0
167.03423	3.8
183.02850	0.6
185.05988	0.8
201.05521	1.2
213.05586	0.9
229.04976	2.0
246.61818	0.6
255.06505	1.0
257.04489	2.0
269.08011	0.5
283.06091	2.8
285.07556	100.0
286.04813	0.7
286.07904	3.7
287.05518	2.2
301.07077	2.3
303.04974	59.4
304.05255	2.0
328.63654	0.5
434.55405	0.6
440.66287	0.5
447.09531	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1284
Annotation	Trifolirhizin
Peak:m/z	Relative Intensity
63.77686	0.1
68.99795	0.3
70.08591	0.6
70.09019	0.2
73.02908	1.3
87.04470	0.2
91.05490	0.3
93.03397	0.2
93.93206	0.1
96.41304	0.1
99.56062	0.1
100.47502	0.1
106.95470	0.1
115.75208	0.1
119.04920	1.2
121.02858	0.8
137.02339	0.3
145.02887	0.4
152.34146	0.1
153.01817	0.5
163.03909	0.3
165.01814	0.6
167.03406	3.3
167.93643	0.1
176.46939	0.1
183.02867	0.3
187.03899	0.2
201.05428	0.2
211.07539	0.1
214.36694	0.1
229.04991	0.6
243.06615	0.2
247.05940	0.3
257.04666	0.2
257.08148	0.5
270.05194	0.2
283.05997	1.5
285.07553	100.0
286.07904	3.0
301.07068	0.2
302.04111	0.2
303.04990	11.7
304.05298	0.6
447.12738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1285
Annotation	Kaempferide 3-rhamnoside
Peak:m/z	Relative Intensity
61.02913	0.2
68.99789	0.4
69.03416	0.2
70.01945	0.3
70.02341	0.3
72.54856	0.1
79.05473	0.2
81.03417	0.2
83.01330	0.4
83.04988	0.2
85.02890	0.2
95.04973	0.3
97.66380	0.1
98.21484	0.2
103.93504	0.1
105.03371	0.3
107.04956	0.4
111.04422	0.2
121.02857	3.4
123.04410	0.4
125.02329	0.5
131.04932	0.1
133.02846	0.5
133.98270	0.1
135.04378	0.3
137.67368	0.1
143.08586	0.2
147.04375	0.7
151.03891	0.4
153.01859	0.8
153.06978	0.2
161.05948	0.3
163.03853	0.1
165.01866	0.1
165.06940	0.1
167.03397	4.5
168.03799	0.1
171.04393	0.2
171.08022	0.3
173.05905	0.2
175.03899	0.4
179.03383	2.8
185.05940	0.1
197.04445	0.7
199.03905	0.2
199.07620	0.7
201.05536	0.1
203.03392	0.4
211.07639	0.1
213.05453	0.2
215.98643	0.1
227.07002	1.3
229.04947	0.4
237.05229	0.1
239.03374	0.1
241.04942	0.2
242.40520	0.1
243.02951	0.1
243.06421	0.2
245.08142	0.7
255.02719	0.2
255.06453	0.6
258.05206	0.3
259.05933	0.2
259.08472	0.2
267.09198	0.2
269.04486	0.3
272.06778	1.2
273.04095	0.1
273.07538	0.4
283.05862	0.3
285.03973	0.3
285.07471	0.3
285.10318	0.3
286.04742	0.4
287.05490	0.3
295.06097	0.1
296.03250	0.3
297.03918	0.8
299.05615	0.9
300.06204	0.1
301.07043	100.0
302.07382	3.0
303.04932	0.5
313.03436	1.5
314.04126	0.4
315.04987	0.2
323.24539	0.1
325.03412	0.1
329.02930	0.5
341.06476	0.3
343.04459	6.3
344.04752	0.3
347.05383	0.2
351.04941	0.2
353.02939	0.2
356.68619	0.1
367.04404	0.2
369.06018	0.4
385.05490	0.2
393.06064	2.3
411.06921	1.3
428.15442	0.1
447.13516	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	447.1284
Annotation	Kaempferide 3-rhamnoside
Peak:m/z	Relative Intensity
51.28125	1.3
57.03424	2.4
71.04992	21.2
71.18085	2.7
73.02907	6.1
85.02904	23.3
95.04362	1.3
111.26884	1.3
121.02867	5.1
129.05463	3.9
152.13649	1.4
154.71913	1.3
157.92700	1.6
166.19524	1.2
167.03383	3.6
179.03397	1.9
181.05025	3.0
273.07230	1.4
301.07065	100.0
302.07303	2.9
313.07202	2.3
315.08615	66.0
316.08926	2.2
324.75079	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1286
Annotation	Kaempferide 3-rhamnoside
Peak:m/z	Relative Intensity
53.49886	0.3
55.99689	0.4
57.03434	2.4
69.03401	0.5
69.49123	1.9
69.49553	1.5
71.04990	19.7
73.02906	0.5
75.63742	0.4
76.62770	0.4
83.04990	0.6
85.02902	19.0
95.04969	0.6
97.02890	0.4
98.20799	0.8
101.28098	0.4
104.62697	0.4
111.04421	0.8
121.02873	3.1
126.16865	0.4
129.05464	4.7
133.02834	0.6
151.03914	1.2
167.03377	3.3
179.03416	2.1
185.62991	0.4
197.04369	0.5
227.06897	0.6
245.08023	0.6
255.06406	0.8
267.08960	0.8
272.06799	0.8
273.07440	0.8
285.10110	1.7
293.25363	0.4
301.07050	100.0
302.07434	3.5
303.04739	0.5
313.06995	0.7
327.04929	0.9
343.08221	0.8
393.09665	0.7
411.10690	0.7
429.11938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.2
59.91385	0.1
62.75232	0.1
62.90999	0.1
65.03918	0.2
67.01826	0.2
68.99785	1.0
70.07932	0.7
71.04974	0.2
73.02906	0.8
77.84089	0.1
81.03381	0.4
89.07140	0.1
93.03371	0.4
95.04929	0.4
96.75838	0.1
107.04919	0.2
109.02841	0.7
111.00776	1.5
111.04414	0.1
121.02833	1.3
123.04406	0.5
125.08410	0.2
127.03892	0.3
135.04425	0.2
136.09457	0.1
137.02333	4.6
137.03381	0.2
145.06433	0.3
149.02321	0.4
153.01817	5.9
155.04880	0.4
161.05930	0.4
163.03885	0.9
165.01831	3.0
166.02484	0.3
167.03345	0.2
173.05977	0.7
177.05479	0.3
179.03290	0.2
183.02872	1.1
183.04367	0.3
187.03922	0.4
191.03400	0.3
195.02879	0.3
201.03717	0.3
201.05458	2.8
207.02963	0.2
215.03296	0.2
219.02849	0.2
219.06522	0.4
228.04187	0.2
229.04942	6.4
230.05423	0.2
233.04279	0.2
239.03421	0.2
247.06026	1.0
257.04416	3.9
258.57617	0.2
273.91254	0.2
274.04797	1.0
275.05518	0.5
285.03937	2.0
285.07541	1.6
303.04965	100.0
304.05283	2.5
331.04279	0.3
447.09189	9.9
448.09537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.1
55.01842	0.1
65.03927	0.2
67.01791	0.1
67.05490	0.1
68.99790	0.8
69.29444	1.1
73.02918	0.8
79.22818	0.1
79.43827	0.1
81.03373	0.2
82.92185	0.1
85.02885	0.2
93.03366	0.4
95.04931	0.4
98.21490	0.3
105.35851	0.1
107.04933	0.1
109.02863	0.6
111.00783	1.1
117.06963	0.2
121.02854	1.5
123.04432	0.6
127.03898	0.3
129.06987	0.1
131.04895	0.2
133.06424	0.1
135.04401	0.2
137.02325	4.4
137.03392	0.2
145.06422	0.4
147.04338	0.2
149.02278	0.5
153.01817	5.3
153.20291	0.1
155.04840	0.4
161.05951	0.3
163.03893	0.8
165.00528	0.2
165.01822	2.4
166.02548	0.3
173.05956	0.6
177.05504	0.2
179.03279	0.1
183.02855	1.3
183.04402	0.5
183.28038	0.1
187.03860	0.4
190.77585	0.1
191.03345	0.1
191.06964	0.2
195.02831	0.5
201.05452	2.4
203.03386	0.2
205.04919	0.2
207.02892	0.3
213.05441	0.3
215.03363	0.2
217.04916	0.1
219.06465	0.4
228.04204	0.3
229.04936	6.1
239.03322	0.3
245.04443	0.2
246.05258	0.2
247.06032	1.1
257.04419	4.0
274.04739	0.9
275.05411	0.4
285.03900	2.0
287.05576	0.9
302.04291	0.2
303.04956	100.0
304.05316	1.5
313.03534	0.2
343.04425	1.8
343.08371	0.2
385.05542	0.2
447.09183	10.3
448.09650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.092
Annotation	Baicalein 6-glucuronide
Peak:m/z	Relative Intensity
55.01869	0.6
55.05513	0.6
59.04985	0.5
61.02925	1.8
64.14013	0.4
67.01879	0.6
68.99792	2.8
69.03445	1.0
70.27325	1.6
70.83769	0.4
71.05010	0.6
79.05480	0.5
87.04463	0.7
93.64176	0.4
97.02916	0.5
97.06529	0.4
109.02866	1.0
111.00806	1.7
119.04965	0.5
119.08530	0.4
121.02886	0.9
127.03874	0.4
128.79314	0.4
131.04912	0.5
134.03610	0.5
137.02330	1.2
139.85474	0.3
145.02779	0.6
147.04443	1.5
149.02385	0.8
149.05986	0.5
153.01823	14.1
155.04918	0.6
157.06502	0.7
159.04430	0.9
161.02357	1.1
161.06013	0.6
163.03926	1.0
165.01839	1.1
170.02213	0.5
171.04424	1.0
173.05978	0.7
175.03885	2.3
177.01819	0.8
177.05473	0.6
183.04459	0.7
185.06006	1.1
187.03900	1.8
189.01863	1.0
189.05386	0.8
191.03522	0.5
197.02350	0.5
197.05966	0.5
199.03983	1.2
201.05472	1.1
203.03394	5.6
207.02904	1.2
211.03947	0.7
213.05423	2.3
215.03452	0.5
217.05023	0.6
221.06128	0.6
223.02281	0.6
225.05490	1.0
227.03410	0.8
229.04941	3.6
231.02811	0.8
231.06610	0.5
239.03386	1.6
239.07159	0.5
241.04976	2.5
243.02898	3.8
245.04451	0.9
251.07036	0.5
253.04922	1.6
255.02908	4.3
257.04446	1.8
258.05258	2.2
259.06006	2.3
266.05710	1.0
267.06564	1.2
268.03687	1.7
269.04449	5.3
270.05307	0.6
271.02435	0.7
271.06024	0.6
273.03952	3.2
277.05057	0.7
281.04422	1.4
283.02344	2.2
283.05618	0.4
285.03952	5.6
285.07495	1.2
286.04697	5.6
287.05487	2.3
291.06494	0.7
293.04440	0.7
294.05191	1.2
295.02728	0.7
295.05884	3.4
296.03275	4.4
297.03934	15.3
297.07361	0.7
298.04608	1.0
299.05661	0.5
301.03427	4.1
301.07062	4.1
303.04959	4.9
303.07855	0.6
305.04495	1.7
309.04086	0.5
311.01849	1.3
311.05402	0.9
313.03418	26.8
314.04184	8.1
315.04947	1.9
315.08624	1.6
319.06128	1.1
322.04608	1.2
323.05441	3.0
325.03442	2.9
326.04156	0.7
327.05029	1.3
329.02902	10.8
331.04565	0.5
333.03909	0.5
334.04556	0.6
337.07028	0.9
339.04926	1.1
341.02881	0.8
341.06525	8.4
343.04477	100.0
344.04816	1.4
347.05405	4.7
350.04245	1.2
351.05020	5.5
353.03091	3.0
365.06577	1.2
367.04324	1.9
369.06015	7.5
375.04898	0.6
383.07425	0.7
385.05582	3.8
393.06036	40.2
394.06934	0.6
411.07101	19.3
415.10046	0.5
429.07977	2.5
446.13937	0.6
447.09180	20.8
448.09473	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	4.2
55.01874	8.3
55.05506	6.4
56.05005	4.0
56.96561	5.7
57.03422	10.2
58.06598	8.6
59.04997	4.7
60.53872	3.4
61.02923	5.6
67.05495	5.0
69.03425	25.0
69.07070	3.8
70.06594	11.6
71.04989	27.7
71.11349	5.5
71.11691	4.9
72.08152	10.0
73.02945	3.9
73.48434	3.0
79.05493	3.4
81.03403	11.9
81.07066	10.5
83.04961	7.6
84.04479	6.8
85.02898	63.0
86.09705	9.8
87.04472	6.0
91.05410	4.0
91.05837	4.6
92.35505	3.2
93.07034	16.2
95.08590	8.0
96.04585	3.1
96.08092	6.3
97.02895	10.9
97.06583	3.9
98.37518	3.5
98.97592	7.0
99.04440	8.5
103.05443	3.3
103.39351	3.3
105.07040	11.6
107.07340	11.3
107.08576	8.4
108.08117	13.6
109.02900	5.7
109.06519	10.6
111.04510	5.5
111.08073	3.9
116.98594	4.3
119.08572	16.0
120.08124	7.4
121.02873	4.0
121.06494	19.8
121.10123	4.4
123.04435	7.5
123.08088	13.1
127.03886	8.5
129.05463	6.2
131.08565	4.7
133.04930	4.1
133.10130	8.3
134.01166	4.5
134.09705	6.5
134.99666	4.0
135.07996	7.9
137.02446	4.9
137.06058	4.0
137.08372	5.6
137.09737	4.5
138.09128	100.0
145.04988	4.3
145.10161	7.4
147.08047	4.2
147.11705	5.6
148.07570	16.4
148.11206	5.0
149.06075	3.4
149.09605	8.4
150.09126	9.8
151.03998	3.9
151.11162	6.1
153.01862	9.8
153.09123	9.4
159.11688	6.8
160.11211	4.7
161.08394	4.0
161.09595	8.3
162.09119	10.2
163.11165	8.7
165.09140	5.9
174.09128	23.2
175.07587	4.7
175.11224	15.8
177.12747	12.2
179.10727	5.7
180.10199	12.0
192.10228	8.3
192.13826	7.4
193.12215	38.3
204.10214	6.3
204.13791	8.2
205.12213	19.8
206.10226	10.8
207.13759	6.8
218.15324	22.5
219.13757	6.4
223.13249	28.3
230.15332	8.2
231.13841	4.7
237.02739	6.4
248.12840	4.8
248.16405	24.4
249.14748	5.6
257.04315	3.7
263.00711	3.9
266.13864	18.7
266.17490	15.7
271.05902	7.0
282.13541	5.8
284.14908	24.4
284.18124	7.5
299.05429	6.3
300.14331	22.2
303.04993	7.9
327.05008	14.2
354.15402	13.1
360.02826	4.7
372.16687	18.0
384.83469	3.9
428.23053	5.6
446.19232	7.2
446.24133	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	446.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
53.09032	6.9
55.01853	6.7
56.96572	7.4
57.03432	10.4
58.06592	9.5
59.94823	5.4
61.02913	8.4
67.05515	14.4
69.03407	22.4
70.06564	9.7
71.59443	13.3
72.08157	8.7
79.05498	6.1
81.03410	13.7
81.07044	19.3
83.04978	14.0
84.04475	7.1
85.02911	39.9
86.09693	12.5
93.07030	21.8
94.06610	7.3
95.04970	14.0
95.08614	11.9
96.08113	13.7
97.02883	16.8
98.97589	10.8
99.04459	10.3
105.07006	20.9
105.50928	5.4
107.04935	13.8
107.07320	15.0
107.08559	11.1
108.08131	14.2
109.02913	7.2
109.06499	20.8
111.08102	9.4
116.98621	8.9
119.08575	17.7
121.02840	12.9
121.06497	24.7
121.10111	14.2
123.04414	10.3
123.08056	15.0
124.07572	11.5
127.03914	18.6
133.06461	13.4
133.10152	8.1
135.08076	12.9
137.09605	6.4
138.05457	11.8
145.10110	9.5
147.08070	10.2
148.07568	22.6
148.11159	6.5
149.05870	6.8
149.09647	15.2
150.09094	7.8
151.11096	9.8
153.01823	15.6
153.09087	14.0
159.11647	8.0
161.09563	17.7
162.02046	6.0
163.11227	13.2
165.09145	11.2
167.05574	6.5
174.09125	42.6
175.11191	20.3
177.00658	6.1
177.09163	6.3
177.12733	14.4
179.10704	8.6
188.10818	6.2
189.12840	11.9
192.10164	43.3
193.12251	100.0
195.13814	7.0
200.13876	7.6
204.13829	13.8
205.12210	27.2
207.13768	12.2
210.11238	9.6
218.15334	36.0
219.13721	12.0
223.13293	56.9
231.13809	9.3
248.16460	57.2
249.14900	11.2
266.17416	28.3
284.15070	15.0
284.18463	11.3
354.15533	16.6
372.16501	34.6
428.14487	12.7
428.22784	11.5
446.24063	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	446.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.6
54.58412	3.8
55.01858	5.1
55.05497	7.1
56.05020	3.7
56.96545	10.0
57.03414	14.2
58.06591	3.9
60.04498	4.6
65.15588	3.4
69.03423	28.5
70.06568	10.8
70.80798	3.3
71.04983	3.7
71.59493	4.5
71.59857	3.8
72.08167	5.2
74.06065	5.0
79.05486	4.1
81.03396	14.3
82.06550	5.2
83.04961	14.4
84.04494	6.1
85.02901	45.5
85.06538	17.7
85.18272	3.5
86.06066	10.0
86.09699	17.1
87.04444	10.3
91.05448	32.1
93.07040	7.1
97.02880	26.8
98.97594	8.8
103.03928	14.0
105.07006	10.2
107.04908	5.4
109.02875	10.1
115.03924	8.8
116.98643	11.5
117.06973	6.0
121.06471	8.9
123.04408	8.6
127.03914	10.5
128.98619	4.3
129.06940	3.6
131.04922	6.5
131.08614	4.7
133.04980	7.2
133.06488	7.5
134.09637	12.9
134.99651	3.7
135.04378	4.6
135.07997	7.0
136.07613	3.8
137.02338	5.7
137.05934	7.3
139.03937	5.2
145.04935	8.4
147.04393	4.2
147.07944	7.5
149.05952	12.7
151.07532	5.7
153.01801	6.9
154.06224	15.6
155.06985	4.2
161.05980	7.7
163.03960	7.4
165.09076	5.8
167.05621	8.1
167.07013	100.0
176.09195	8.7
177.00636	6.0
177.05521	4.6
179.10699	3.9
181.08539	8.5
182.09402	54.2
189.09128	7.2
195.10156	4.3
201.00792	4.5
207.10304	4.3
210.08861	70.0
211.09386	4.8
223.86728	4.2
224.12761	11.2
225.11147	4.5
226.98705	6.3
243.57256	5.2
244.99809	4.8
259.11298	4.3
263.00592	5.6
266.13928	9.5
266.18283	10.2
284.14911	39.4
285.06653	3.9
303.05020	5.9
314.15036	4.2
360.02969	3.9
363.09348	4.2
381.10327	8.5
441.10727	4.4
446.20306	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	445.2945
Annotation	Asparacosin A
Peak:m/z	Relative Intensity
51.02357	0.9
53.03930	3.1
55.01873	4.1
55.05262	1.2
55.05506	16.9
56.70494	0.7
57.03418	2.7
57.07056	1.6
58.95277	0.6
59.04996	0.7
65.03927	3.0
67.05499	38.2
69.03410	0.7
69.06713	1.0
69.07061	12.4
70.73425	1.9
71.04977	2.8
72.35198	0.6
75.79286	0.6
77.03926	1.3
79.05486	31.0
81.03397	1.6
81.07050	34.6
83.04964	2.3
83.08613	6.1
83.82734	0.6
85.06522	2.0
89.04422	0.6
91.05472	51.7
93.07037	32.7
95.04415	0.9
95.04961	6.8
95.08600	25.1
97.02872	0.8
97.06533	4.2
97.10159	2.9
103.05458	2.5
105.07021	48.6
107.04965	3.4
107.08585	14.8
109.06497	4.3
109.10149	7.1
111.08074	2.1
115.05444	3.7
116.06244	1.6
117.07002	23.5
119.04933	1.1
119.08569	27.0
121.06515	5.0
121.10149	9.9
123.08062	2.5
123.11713	2.1
125.09608	1.3
128.06206	4.2
129.06993	18.1
130.07758	2.0
131.08556	40.7
133.06483	3.2
133.10120	15.5
135.08066	3.4
135.11678	4.6
137.09586	1.6
141.06973	6.2
142.07729	2.3
143.08549	17.8
144.09392	0.7
145.06480	3.6
145.10110	20.9
147.08044	4.5
147.11638	4.4
149.09633	3.5
149.13240	1.6
151.11159	1.7
153.06888	0.8
154.07811	1.0
155.08553	10.0
156.09319	1.1
157.06445	0.7
157.08926	0.9
157.10127	10.7
159.08051	2.3
159.11667	9.1
161.09616	2.1
161.13235	2.6
163.11205	1.4
167.08592	3.1
168.09230	0.9
169.10095	8.7
170.10948	0.7
171.08034	1.6
171.11653	8.9
173.09622	1.1
173.13255	4.0
175.11180	1.5
175.14871	0.9
177.12656	0.9
181.10143	5.0
182.10838	0.9
183.11700	4.9
185.09564	1.6
185.13235	4.7
187.11212	1.5
187.14809	2.6
189.12718	0.9
193.10152	1.5
195.11676	5.4
197.13286	4.1
199.11107	1.1
199.14851	3.6
201.12717	1.9
201.16383	1.4
207.11693	1.2
207.13684	0.7
209.13280	4.4
211.14809	3.8
213.12703	1.4
213.16446	1.8
215.14377	1.8
219.11803	0.8
223.14778	2.5
225.16304	2.1
227.14299	2.0
229.15889	1.3
233.15312	2.8
235.16933	0.9
237.16347	2.0
241.15884	2.1
243.17421	1.1
245.15381	1.3
247.16858	3.6
251.17917	1.0
255.17407	2.1
259.16983	2.2
261.18521	2.8
269.18878	1.6
271.17041	0.8
272.03909	0.6
273.18488	1.7
285.18295	0.7
287.19943	0.7
307.24075	1.0
311.19757	0.8
325.25250	6.1
335.23624	7.2
343.26282	7.5
349.48013	0.7
353.24698	25.1
353.28979	1.4
354.25119	0.8
371.25781	22.2
372.26111	1.3
389.26840	23.3
390.27094	1.1
399.29092	0.8
401.26376	0.7
409.27225	1.2
417.29965	1.2
427.28378	5.3
428.96124	0.6
445.29465	100.0
446.29764	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	445.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.03952	3.7
55.01868	4.1
55.05511	16.6
57.03425	3.2
58.83633	0.7
59.04976	1.0
64.44568	0.7
65.03928	3.2
67.05501	43.1
69.03424	2.3
69.07066	13.1
71.04996	4.4
71.60460	1.3
72.65285	0.7
77.32832	0.8
79.05489	38.0
81.03420	3.8
81.07052	42.2
81.92373	0.8
82.07347	0.9
83.04964	3.0
83.08617	9.8
85.02905	1.0
85.06526	2.8
86.35150	0.7
89.03928	0.8
91.05472	54.9
93.07036	36.6
93.07627	1.6
95.04964	9.8
95.08601	28.7
97.02878	1.6
97.06530	4.8
97.10152	3.8
99.08078	1.3
103.05468	2.2
105.04526	0.9
105.07024	50.3
107.04951	4.8
107.08587	17.5
109.06506	5.8
109.10147	11.2
111.08082	1.9
115.05457	3.2
116.06215	1.2
117.07008	25.7
119.04945	0.9
119.08576	27.8
121.06503	5.0
121.10144	10.2
123.08053	2.1
123.11707	1.5
125.09616	2.5
128.06226	4.7
129.06998	17.0
130.07787	1.1
131.08560	39.0
133.06493	2.9
133.10126	13.8
135.08049	3.5
135.11700	5.5
137.09622	2.0
138.52202	0.8
141.07007	6.0
142.07755	3.3
143.08553	17.2
145.06487	3.5
145.10109	21.1
147.08072	4.0
147.11694	5.9
149.05875	0.9
149.09619	3.3
149.13301	1.5
151.11203	1.7
153.06912	1.1
154.07697	1.0
155.08542	8.2
157.06453	0.8
157.10123	10.2
158.07222	0.8
159.08081	2.3
159.11697	9.6
161.09637	2.5
161.13309	2.2
163.11208	1.8
165.20610	0.8
166.07841	1.0
167.08521	2.9
168.09286	1.1
169.10083	7.9
171.11688	7.6
173.09631	2.1
173.11926	1.0
173.13199	4.4
175.11208	1.9
175.14836	0.9
177.12785	1.6
181.10123	4.7
182.10721	0.9
183.11700	6.4
185.09581	1.8
185.13252	4.3
187.11337	1.8
187.14815	3.2
189.12764	1.1
193.12274	1.0
195.11653	4.6
196.60028	0.8
197.09727	1.1
197.13213	4.3
199.11296	1.5
199.14798	3.3
201.12767	2.0
201.16385	1.4
209.13280	3.4
211.14830	4.3
213.12811	1.2
213.16399	1.8
215.14288	1.9
217.15881	1.8
219.13933	1.2
221.13339	1.1
221.15372	1.3
223.14799	2.7
225.16423	2.0
227.14413	1.4
229.15916	1.4
233.15456	2.2
235.16908	0.9
237.16467	1.3
239.14400	1.1
240.36993	0.8
241.15950	2.1
243.17509	1.1
245.15378	2.3
247.16920	4.0
249.16473	0.8
255.17430	1.4
259.17038	2.2
261.18658	2.1
269.18970	0.9
273.18600	2.6
317.22620	0.9
325.25345	3.0
333.20877	1.0
335.23624	7.0
343.26288	5.1
353.24774	19.2
353.28976	1.5
371.25809	20.1
389.26865	15.9
427.28485	4.8
445.29523	100.0
446.30093	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14393	1.2
53.03932	3.2
55.01861	3.6
55.05507	16.1
57.03413	2.4
59.55208	1.2
65.03923	3.2
67.05501	41.5
69.07064	12.9
71.04979	3.1
79.05055	2.5
79.05488	39.0
81.03398	2.0
81.07049	37.6
83.04972	2.3
83.08593	7.0
84.78926	1.3
85.06532	2.7
90.31895	1.2
91.05473	49.6
93.07034	35.5
93.07619	2.0
95.04958	7.0
95.08601	23.1
97.06523	4.6
97.10148	4.2
103.05423	1.8
105.04546	1.3
105.07018	49.5
107.04947	4.1
107.08582	15.3
109.06493	4.9
109.10133	8.0
115.05438	4.4
117.07007	21.8
119.07780	2.0
119.08573	24.5
121.06507	5.6
121.10146	10.5
123.08073	2.5
125.09613	1.7
128.06187	4.2
129.07004	17.9
130.07785	1.3
131.08559	38.9
133.06480	3.3
133.10123	13.5
135.08063	3.7
135.11690	6.2
137.09613	2.3
141.06949	6.5
143.08562	17.9
144.09430	1.2
145.06459	3.2
145.10104	20.5
147.08055	4.1
147.11693	5.1
149.09581	1.6
149.13280	2.6
151.11064	2.0
155.08522	7.6
157.10107	11.0
159.08098	1.6
159.11713	8.8
161.09612	3.9
161.13225	3.3
167.08563	3.2
167.10681	1.3
169.10158	6.2
171.11667	8.1
173.09679	1.6
173.13252	4.6
177.12770	1.9
181.10045	5.9
183.11707	3.8
185.13271	5.0
187.11234	2.2
187.14813	3.0
195.11751	2.7
197.13246	4.6
197.64000	1.3
199.14793	2.5
200.42975	1.3
201.12665	1.5
209.13229	3.7
211.14827	4.7
217.15932	1.4
219.11670	1.4
221.13243	1.4
223.14877	2.5
225.16318	2.8
227.14365	1.6
229.15810	2.1
233.15460	3.4
237.16449	1.9
241.15785	2.2
243.17369	1.8
247.16885	3.4
255.17453	2.8
261.18661	1.8
272.21396	1.2
273.18567	1.8
287.35928	1.5
307.24411	1.3
325.25146	3.4
335.23727	5.9
343.26309	4.3
353.24643	19.4
371.25751	20.4
389.26752	19.7
427.28427	4.5
445.29453	100.0
446.29626	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
53.03938	3.3
55.01868	3.4
55.05511	18.0
57.03441	3.9
57.07062	2.0
65.03939	2.7
65.72321	0.8
67.05503	45.7
69.03409	1.6
69.06712	1.3
69.07067	17.4
71.05005	4.0
71.14021	1.3
71.14378	0.8
72.08147	0.8
79.05492	40.3
81.03406	2.4
81.07056	40.0
82.48801	0.9
83.04979	3.6
83.08615	7.7
84.74234	0.7
85.06563	1.9
91.05476	55.0
93.07044	35.8
95.04974	9.1
95.08604	26.6
97.06516	4.0
97.10173	3.8
99.08102	1.9
103.05483	2.3
103.22860	0.9
105.03391	1.9
105.07030	48.7
107.04984	5.2
107.08598	17.6
109.06519	4.9
109.10169	9.1
111.08104	1.6
113.05989	0.8
115.05462	3.6
116.06218	1.3
117.07015	24.1
117.07843	1.2
119.08578	30.6
121.06477	5.0
121.10146	9.7
123.08080	2.5
123.11711	2.1
127.07518	1.1
128.06224	4.3
129.06999	17.7
129.07904	1.3
130.07748	1.2
131.08562	42.4
133.06477	2.9
133.10133	16.5
135.08069	3.2
135.11688	4.8
137.09633	2.0
139.07610	0.9
141.06956	6.5
142.07768	2.3
143.08557	16.5
145.06496	3.0
145.10120	23.7
147.08038	3.6
147.11688	5.2
149.09633	3.2
149.13287	1.3
151.11203	1.3
153.07007	1.1
154.07748	1.2
155.08557	9.4
156.09332	1.4
157.10120	13.4
159.08063	3.3
159.11688	9.4
161.09637	1.8
161.13258	3.1
163.11197	1.9
165.12819	1.0
167.08533	4.1
169.10132	8.3
169.80579	0.9
171.08020	1.5
171.11688	8.2
173.09610	2.0
173.13268	3.2
173.14778	0.9
175.11125	1.9
175.14783	1.0
177.12749	1.4
181.10129	4.7
183.11661	4.8
185.09590	1.2
185.13309	3.7
187.11220	2.0
187.14833	3.7
189.12813	1.1
193.10269	1.2
193.12338	0.8
195.11652	4.1
197.13219	4.3
199.11205	1.5
199.14821	4.0
201.12779	1.5
209.13281	3.6
211.14847	5.0
213.12750	2.5
213.16431	1.3
215.14366	1.8
217.15988	1.2
221.13446	1.4
223.14893	2.9
225.16479	1.2
227.14401	1.7
229.02469	0.8
229.15939	1.1
233.15440	1.9
235.14838	1.3
235.16931	0.9
239.18053	0.9
241.15860	1.4
243.17494	1.3
247.16893	4.2
255.17499	1.8
259.17001	2.7
261.18661	1.4
269.18948	1.2
273.18518	1.4
307.24149	1.0
325.25235	4.8
335.23676	6.0
343.26221	6.1
353.24713	20.0
371.25809	18.5
389.26883	18.2
409.27887	1.1
427.28259	4.0
445.29517	100.0
446.29886	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	445.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01862	3.2
55.05511	14.9
56.96572	1.3
57.03427	3.2
57.07062	1.5
62.65400	0.8
65.03933	2.6
67.05502	31.0
69.03416	2.9
69.06722	1.1
69.07067	12.9
69.61311	6.9
71.04982	3.0
74.99462	0.8
79.05492	27.1
81.03409	2.4
81.07054	32.6
83.04981	3.7
83.08630	5.3
85.02931	1.3
85.06535	2.3
91.05473	38.6
93.07047	26.2
95.04975	5.9
95.08601	21.2
97.06533	3.9
97.10169	5.3
98.20834	2.0
99.04448	1.1
105.07028	42.9
107.04956	3.6
107.08586	12.8
107.11517	0.8
109.06517	2.8
109.08806	1.1
109.10144	6.5
111.08077	1.7
115.05441	2.5
115.81551	0.9
117.07012	20.1
118.04359	0.9
119.04919	1.9
119.08578	29.3
121.06491	4.9
121.10134	9.2
123.04414	1.0
123.08064	3.1
123.11704	1.1
125.09650	1.8
128.06203	3.7
129.06999	14.1
131.04999	1.1
131.08565	35.7
133.06470	2.7
133.10124	10.1
135.08083	2.5
135.11668	3.9
137.09601	2.5
139.11179	2.3
141.06982	5.9
142.07753	1.5
143.08562	17.9
145.06470	2.8
145.10107	22.4
147.08081	3.1
147.11687	4.8
149.09581	2.3
149.13275	1.6
151.11128	1.5
155.08536	9.2
157.10139	10.5
159.08089	2.0
159.11662	8.3
161.09705	1.8
167.08577	2.2
169.10147	7.1
171.11668	6.0
173.09599	1.4
173.13278	3.3
175.14856	1.2
179.08548	0.9
181.10132	4.0
183.11690	4.1
185.13193	5.5
187.11198	2.0
187.14830	3.5
189.11137	1.3
195.11687	3.6
197.11713	1.0
197.13277	5.9
199.14841	3.4
201.16382	1.2
205.15834	1.6
207.11656	1.2
209.13278	3.8
211.14757	5.1
213.12814	1.3
213.16313	1.4
217.15820	1.0
219.13814	1.7
221.13232	1.0
223.14844	2.6
225.16373	3.1
227.14394	1.8
229.15881	1.3
233.15411	1.3
235.14865	1.5
237.16402	1.1
241.15894	2.2
245.15425	1.6
247.16916	2.6
255.17487	1.7
259.16928	1.5
261.18631	1.6
269.18924	1.1
271.17032	1.4
273.10175	1.7
273.18497	1.9
307.24298	1.2
325.25150	5.7
335.23639	7.9
343.26239	5.6
353.24747	20.7
365.16504	1.3
371.25760	16.2
389.26904	16.1
391.26859	1.2
415.28116	1.0
427.28281	2.8
445.29510	100.0
446.29791	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	445.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.8
55.05505	14.6
57.03432	26.7
67.05503	46.2
69.03422	16.4
69.07070	8.9
71.04995	100.0
79.05471	20.5
80.60602	7.3
81.03419	67.2
81.07060	80.4
83.04996	10.7
83.08604	8.9
85.02927	11.2
91.05475	35.9
93.07037	22.6
95.04955	8.3
95.08591	10.0
97.02904	40.2
97.06486	8.5
105.07011	20.5
107.08610	24.1
109.10162	15.5
123.11669	16.6
129.05469	14.0
133.10106	30.7
135.11690	7.5
151.11174	29.9
159.11694	12.5
169.12280	9.9
173.04474	23.9
183.13803	16.8
187.13278	41.6
195.13902	8.1
201.14841	14.7
229.39276	8.7
257.17432	69.1
258.91855	8.1
413.21396	15.6
445.24170	65.9
445.29306	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	445.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34670	2.1
53.03939	11.1
53.63376	2.3
55.01880	3.2
55.05500	13.4
57.03432	18.3
61.02919	2.9
67.05501	47.8
69.03423	27.7
69.07055	9.6
71.04990	100.0
71.59679	3.1
73.02906	2.5
79.05494	21.2
81.03413	69.6
81.07054	69.6
83.04991	17.0
83.08607	9.4
85.02892	11.6
85.06517	9.3
91.05466	53.0
93.07036	24.3
95.04964	3.8
95.08601	15.6
97.02883	31.5
97.06525	11.2
99.04437	8.3
103.03957	2.4
105.07027	28.2
107.08593	17.3
109.02866	8.2
109.06499	2.5
109.10140	9.6
111.04423	5.0
117.06992	11.0
119.08556	8.7
119.51273	2.3
121.10162	6.0
123.11718	14.6
125.09618	2.7
127.03912	15.7
129.05467	8.9
129.06985	5.1
131.08574	11.7
133.10114	32.4
135.11684	8.0
143.08539	5.3
145.10133	3.1
147.08080	3.2
147.11681	5.0
149.13240	9.2
151.11179	27.3
155.08632	2.5
159.11684	12.9
169.12218	4.2
173.04446	33.2
177.12750	7.5
183.13780	11.0
187.13280	29.5
195.13763	8.2
201.14830	15.5
213.14688	3.3
243.16000	3.4
257.17487	57.5
269.17398	5.2
301.19986	5.0
321.17169	2.6
335.23462	2.7
339.17960	5.3
351.17874	2.9
353.24667	5.7
389.26846	4.0
400.08551	2.4
413.21805	12.1
430.18390	2.4
445.24155	58.8
445.29483	46.2
461.19519	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	443.3
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71713	2.6
53.03928	5.8
55.01866	5.7
55.05253	5.2
55.05505	62.8
55.73510	2.4
57.03436	23.4
57.07074	31.4
67.05497	42.7
69.07063	82.2
71.08620	22.3
72.08149	6.8
76.00815	2.5
79.05485	20.0
79.84371	2.8
80.74608	2.5
81.07057	49.2
83.04957	4.3
83.08613	50.8
85.06536	5.2
85.10177	13.1
87.00820	30.6
91.05441	6.9
93.07027	29.2
95.04963	3.3
95.08604	57.1
96.16124	2.8
97.06532	10.8
97.10162	40.2
98.20705	5.2
99.20469	2.5
105.01875	16.6
105.07072	3.8
107.08602	24.6
109.10152	26.0
111.08080	7.7
111.11733	9.0
115.03961	4.3
115.07538	3.7
121.10136	22.8
123.04416	3.2
123.11694	8.1
125.05984	3.3
125.09640	4.6
133.10092	4.1
134.07214	3.3
135.11674	22.1
137.13243	3.9
139.07512	3.5
139.11195	3.2
143.03377	9.3
145.10103	3.3
146.31520	3.2
147.11642	2.9
149.13257	15.8
153.12685	4.8
157.12280	4.4
163.14804	11.0
165.16309	4.2
166.50630	2.6
167.14328	3.8
177.16348	5.2
191.18025	4.7
209.19072	3.5
227.20164	4.0
229.29189	3.2
247.24162	30.4
265.25247	100.0
283.26328	60.4
351.25375	6.7
357.29977	12.3
369.26379	11.5
425.29361	15.7
443.29736	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01874	3.5
55.05261	1.1
55.05510	17.0
56.96552	1.2
57.03440	3.4
57.07070	1.6
61.02916	1.5
65.03934	2.1
67.05503	34.4
67.13847	0.7
69.03428	1.6
69.07063	12.1
70.27041	1.3
70.27444	2.3
71.04988	3.3
73.02918	1.1
73.06536	0.8
77.03931	1.0
79.05494	28.5
81.03416	2.6
81.07053	28.7
83.04974	2.4
83.08618	10.3
84.64706	0.6
85.02901	3.0
85.06526	2.2
89.06040	3.6
90.06354	1.0
91.05479	39.9
93.07042	22.6
95.04964	7.6
95.08043	1.5
95.08608	18.5
96.98506	0.7
97.02906	1.7
97.06537	4.4
97.10163	3.2
99.08087	1.3
103.05489	2.3
105.07027	26.1
107.04949	3.9
107.08586	11.1
109.06524	5.9
109.10149	6.9
111.08077	2.2
115.05444	5.1
116.06227	2.0
117.07018	23.8
119.04917	1.8
119.08580	14.6
121.06509	5.7
121.10136	5.8
123.04433	4.1
123.08076	3.2
123.11742	1.0
125.09629	1.3
127.03924	0.8
128.06204	9.1
129.07001	35.2
130.07788	1.4
131.04959	1.3
131.08560	30.1
133.06477	5.0
133.08611	0.8
133.10123	10.5
135.08046	4.1
135.11693	2.6
137.09625	3.1
139.03888	1.7
141.06975	13.8
142.07771	4.4
143.08549	27.8
144.09273	0.7
145.06494	7.2
145.10124	16.1
147.08020	5.6
147.11688	4.0
149.09610	3.2
149.13223	1.1
151.09651	5.0
151.11057	1.3
152.09966	1.6
153.01855	2.2
153.07004	2.7
154.02147	1.6
154.07739	1.3
155.08551	19.3
156.09349	2.1
157.06516	2.3
157.10124	15.4
159.08051	4.7
159.11699	6.9
161.05875	0.9
161.09621	3.1
161.13298	0.9
163.11159	1.5
165.06975	3.2
166.07713	2.1
167.08583	8.4
168.09341	2.4
169.10132	14.5
170.10748	0.8
171.08015	3.4
171.11671	9.5
173.09602	3.0
173.13298	2.4
175.11189	2.6
177.12811	1.5
178.07777	1.0
179.08577	3.8
180.09285	1.8
181.10117	9.7
182.10916	0.8
183.08023	1.3
183.11674	7.6
185.09648	2.4
185.13237	6.1
187.11163	1.0
187.14825	1.7
189.11238	1.1
189.12781	1.0
193.10136	3.9
193.12036	1.1
194.10951	1.5
195.11719	7.5
197.09645	1.5
197.13255	5.3
199.11224	2.8
199.14822	2.5
201.12756	1.8
206.10818	1.1
207.11713	5.4
209.13272	7.7
211.11179	3.5
211.14867	4.4
213.12697	4.6
213.16316	1.7
215.14296	2.5
217.15932	1.5
219.13852	0.8
221.13271	5.7
223.14836	4.2
225.12820	2.5
225.16322	1.4
227.14273	2.7
229.15836	1.1
231.13805	1.1
233.13293	1.2
233.15404	0.9
235.14857	3.4
237.12836	0.8
237.16449	1.5
239.14346	4.0
239.18114	1.4
241.15919	2.0
243.13947	1.0
245.15335	1.6
247.14737	0.8
247.16992	0.9
249.16449	1.4
251.14258	1.1
253.15953	4.0
255.17433	0.8
257.15433	2.6
259.17093	1.6
264.22690	1.2
265.12912	1.3
267.17462	1.1
269.12610	1.3
271.16962	3.1
283.13821	2.2
283.16843	0.8
285.18448	1.1
295.24362	0.8
302.24371	0.8
305.22598	1.6
314.12863	2.0
315.20679	1.1
322.11914	2.1
323.23685	4.1
331.18597	1.1
333.22162	7.4
341.24850	5.6
351.23172	24.0
352.23373	1.2
369.24240	32.7
370.24634	1.7
387.25284	14.1
407.25974	0.8
419.18875	1.1
425.26779	5.2
443.27924	100.0
444.28256	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	443.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01874	3.5
55.05261	1.1
55.05510	17.0
56.96552	1.2
57.03440	3.4
57.07070	1.6
61.02916	1.5
65.03934	2.1
67.05503	34.4
67.13847	0.7
69.03428	1.6
69.07063	12.1
70.27041	1.3
70.27444	2.3
71.04988	3.3
73.02918	1.1
73.06536	0.8
77.03931	1.0
79.05494	28.5
81.03416	2.6
81.07053	28.7
83.04974	2.4
83.08618	10.3
84.64706	0.6
85.02901	3.0
85.06526	2.2
89.06040	3.6
90.06354	1.0
91.05479	39.9
93.07042	22.6
95.04964	7.6
95.08043	1.5
95.08608	18.5
96.98506	0.7
97.02906	1.7
97.06537	4.4
97.10163	3.2
99.08087	1.3
103.05489	2.3
105.07027	26.1
107.04949	3.9
107.08586	11.1
109.06524	5.9
109.10149	6.9
111.08077	2.2
115.05444	5.1
116.06227	2.0
117.07018	23.8
119.04917	1.8
119.08580	14.6
121.06509	5.7
121.10136	5.8
123.04433	4.1
123.08076	3.2
123.11742	1.0
125.09629	1.3
127.03924	0.8
128.06204	9.1
129.07001	35.2
130.07788	1.4
131.04959	1.3
131.08560	30.1
133.06477	5.0
133.08611	0.8
133.10123	10.5
135.08046	4.1
135.11693	2.6
137.09625	3.1
139.03888	1.7
141.06975	13.8
142.07771	4.4
143.08549	27.8
144.09273	0.7
145.06494	7.2
145.10124	16.1
147.08020	5.6
147.11688	4.0
149.09610	3.2
149.13223	1.1
151.09651	5.0
151.11057	1.3
152.09966	1.6
153.01855	2.2
153.07004	2.7
154.02147	1.6
154.07739	1.3
155.08551	19.3
156.09349	2.1
157.06516	2.3
157.10124	15.4
159.08051	4.7
159.11699	6.9
161.05875	0.9
161.09621	3.1
161.13298	0.9
163.11159	1.5
165.06975	3.2
166.07713	2.1
167.08583	8.4
168.09341	2.4
169.10132	14.5
170.10748	0.8
171.08015	3.4
171.11671	9.5
173.09602	3.0
173.13298	2.4
175.11189	2.6
177.12811	1.5
178.07777	1.0
179.08577	3.8
180.09285	1.8
181.10117	9.7
182.10916	0.8
183.08023	1.3
183.11674	7.6
185.09648	2.4
185.13237	6.1
187.11163	1.0
187.14825	1.7
189.11238	1.1
189.12781	1.0
193.10136	3.9
193.12036	1.1
194.10951	1.5
195.11719	7.5
197.09645	1.5
197.13255	5.3
199.11224	2.8
199.14822	2.5
201.12756	1.8
206.10818	1.1
207.11713	5.4
209.13272	7.7
211.11179	3.5
211.14867	4.4
213.12697	4.6
213.16316	1.7
215.14296	2.5
217.15932	1.5
219.13852	0.8
221.13271	5.7
223.14836	4.2
225.12820	2.5
225.16322	1.4
227.14273	2.7
229.15836	1.1
231.13805	1.1
233.13293	1.2
233.15404	0.9
235.14857	3.4
237.12836	0.8
237.16449	1.5
239.14346	4.0
239.18114	1.4
241.15919	2.0
243.13947	1.0
245.15335	1.6
247.14737	0.8
247.16992	0.9
249.16449	1.4
251.14258	1.1
253.15953	4.0
255.17433	0.8
257.15433	2.6
259.17093	1.6
264.22690	1.2
265.12912	1.3
267.17462	1.1
269.12610	1.3
271.16962	3.1
283.13821	2.2
283.16843	0.8
285.18448	1.1
295.24362	0.8
302.24371	0.8
305.22598	1.6
314.12863	2.0
315.20679	1.1
322.11914	2.1
323.23685	4.1
331.18597	1.1
333.22162	7.4
341.24850	5.6
351.23172	24.0
352.23373	1.2
369.24240	32.7
370.24634	1.7
387.25284	14.1
407.25974	0.8
419.18875	1.1
425.26779	5.2
443.27924	100.0
444.28256	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	443.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	1.4
71.58707	2.2
71.59103	1.5
77.78854	1.3
79.56890	1.1
115.87586	1.3
136.06184	1.4
153.01859	2.4
211.13017	1.2
256.10846	1.2
264.82007	1.3
295.29703	1.1
443.11600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93536	0.5
56.09238	0.4
56.96558	7.1
57.03421	0.4
69.03406	1.5
69.45698	4.0
73.02895	0.6
74.06077	0.7
74.97619	0.6
81.03429	0.8
82.17529	0.4
83.01087	1.1
84.01847	0.7
85.02898	3.0
91.05460	0.8
95.01116	2.1
95.04977	1.0
96.01865	1.2
97.02876	1.5
98.97592	1.0
103.76639	0.4
109.02805	0.6
112.01348	0.5
113.02119	3.1
116.07111	0.6
116.98619	0.5
117.44463	0.4
119.01905	0.5
119.08595	0.6
122.06010	0.6
123.04378	0.5
127.03848	1.1
139.03867	0.6
141.01570	0.6
141.05295	0.4
144.06450	0.5
147.09181	3.2
150.05434	0.5
150.99095	1.0
153.01796	1.7
154.02156	0.5
159.08064	1.1
163.03833	0.7
163.11131	0.6
169.00188	1.1
169.01694	0.5
177.00835	0.8
177.02226	2.8
177.09087	0.5
185.04190	4.2
191.03226	1.1
195.03300	4.2
201.03668	2.0
203.05251	1.4
203.14319	0.5
206.05478	12.5
207.06160	0.5
210.07590	0.6
213.04385	0.7
221.01115	0.7
221.04724	0.6
224.06471	0.5
237.02771	0.5
239.02336	2.2
239.05904	0.7
249.07361	1.3
257.03290	0.6
259.07800	2.6
263.16391	1.3
281.10037	0.9
281.14944	3.0
285.52341	0.5
297.02789	0.6
413.14481	1.1
443.15170	100.0
444.15436	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0969
Annotation	(-)-Catechin gallate
Peak:m/z	Relative Intensity
51.02373	1.4
62.85184	0.7
65.03932	0.7
67.05495	1.1
68.99779	1.9
69.63441	1.2
69.63850	3.5
77.03922	1.3
79.01865	2.5
83.04953	0.8
95.04977	1.5
97.02864	0.8
98.21469	1.2
105.03383	1.1
107.01328	0.6
111.04427	3.5
119.04953	1.5
123.04425	82.5
124.04776	1.0
125.02376	1.1
139.03900	100.0
141.00856	0.7
143.03398	3.2
147.04422	7.1
151.03897	10.1
153.01828	32.7
161.05965	1.4
163.04019	0.9
165.05537	5.7
185.83000	0.8
189.05455	1.4
191.48227	0.6
204.78528	0.8
231.06555	1.1
236.50650	0.7
255.06471	1.3
273.07489	6.6
291.08655	6.7
366.89429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96115	4.7
56.96564	100.0
69.03410	7.9
70.98115	8.4
71.58867	6.1
74.97599	11.7
77.94140	5.0
81.03396	10.3
84.96017	6.6
85.02860	15.8
97.02876	9.1
98.97565	7.3
100.99184	5.7
102.80924	5.2
103.02442	38.2
106.87141	5.3
109.02876	5.1
116.98631	7.6
117.03984	6.5
119.00174	11.0
119.01948	34.2
121.03503	32.8
123.04446	39.4
128.98576	7.3
131.01875	19.2
133.01709	6.8
134.99670	7.7
135.05016	17.4
137.02948	13.4
137.05968	5.9
139.03868	6.3
144.98076	21.0
145.03462	18.4
146.99638	18.4
147.01393	35.7
147.04404	7.1
147.96898	4.6
149.03004	7.7
153.00725	5.0
153.01828	22.2
155.03288	4.4
159.01344	10.5
161.01282	4.6
161.02930	32.0
162.99161	37.5
163.04608	7.7
165.01114	4.5
165.02443	33.2
165.03670	5.2
166.98645	5.9
169.03442	15.3
173.02960	10.2
177.02438	11.7
179.03972	13.9
181.00246	26.2
181.01862	7.1
181.03435	50.9
183.03453	9.1
183.05006	18.9
187.04477	10.1
189.02472	45.6
193.03426	7.6
195.05037	11.1
197.01186	10.6
199.04489	30.5
201.06047	6.1
205.00432	24.2
205.01855	14.6
205.03482	38.3
207.01715	6.5
207.03477	74.8
207.05193	10.9
209.01137	5.9
209.02898	16.2
210.03711	5.3
211.02756	6.4
211.04507	18.5
213.06079	6.5
217.01541	5.1
221.02948	6.5
223.01201	74.2
223.04517	74.7
225.02487	10.4
225.05952	5.6
227.02135	8.4
227.04117	8.0
229.05568	12.8
231.03505	8.8
233.02924	17.6
235.04430	14.5
237.02536	18.3
237.06088	16.0
239.04155	11.4
241.02258	14.0
241.05682	8.9
245.42805	5.4
247.02916	48.0
249.02403	7.4
251.04042	51.7
252.97852	6.0
253.05544	21.0
255.03555	14.8
255.07071	10.6
263.00778	15.0
263.03970	16.3
265.03766	26.3
267.03464	9.3
269.05142	44.7
275.04041	5.5
279.03436	15.8
281.01816	12.3
281.05032	14.9
283.06409	10.7
287.06186	19.2
293.05127	31.6
295.06549	11.0
297.04517	13.1
299.06207	8.8
307.02924	10.9
307.38132	5.1
309.04446	8.8
311.05978	13.4
321.04510	21.2
335.06039	13.8
339.05725	41.9
348.56607	5.3
349.03906	13.0
353.07248	48.5
357.06531	6.2
363.05600	7.1
367.05228	78.1
381.06650	81.1
385.06039	36.5
399.07800	6.9
407.04465	10.5
425.05481	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	443.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75035	0.8
51.83627	0.9
56.96564	99.1
57.03428	1.7
61.02913	1.3
69.03424	3.6
70.73183	1.1
70.73512	1.9
70.98113	9.8
73.02909	1.8
74.97601	8.3
81.03413	2.0
82.24721	0.9
84.96043	8.0
85.02901	7.5
86.97601	1.3
88.99157	9.0
92.98627	2.3
97.02882	5.3
98.97585	7.1
99.04478	1.3
100.99137	7.7
106.71342	1.1
107.00204	3.0
107.04946	4.4
109.02859	2.2
110.97576	3.4
112.95525	0.9
116.98600	8.0
119.00201	9.1
119.01857	4.0
127.03892	3.1
128.98630	10.0
129.05704	0.9
130.96518	3.4
131.01837	1.7
131.44930	1.0
132.98109	1.0
133.01758	5.4
134.99652	7.4
136.06151	1.4
137.01202	1.7
143.00108	1.9
144.98077	26.1
146.99658	11.8
148.97574	5.2
149.01227	1.0
149.02739	1.0
150.99127	5.6
151.02711	1.9
153.01874	6.5
153.02924	1.3
155.02861	1.3
158.99641	2.1
161.01218	6.9
161.02797	1.5
162.04173	1.3
162.96928	2.2
162.99149	49.5
165.00702	2.1
166.98665	2.8
169.00186	2.4
170.99664	1.8
174.99200	2.0
177.00699	3.0
179.02289	1.7
181.00197	24.3
182.03325	2.4
185.01295	1.2
186.00735	1.3
186.99071	4.7
189.00642	2.2
191.03868	5.9
193.00192	4.5
193.01730	3.8
195.05098	1.4
199.01244	2.8
200.04396	2.1
201.00612	1.7
203.02150	1.2
205.00192	35.6
211.02791	11.5
213.00624	1.6
219.01796	4.3
223.01239	100.0
228.01665	1.2
237.00748	1.2
237.02798	4.4
239.00002	1.1
241.02194	15.4
245.03285	1.8
246.02888	3.2
248.98367	1.4
255.01799	2.5
261.02820	1.2
263.00729	21.7
264.00867	1.0
269.03040	1.0
272.06512	15.8
272.56702	2.0
279.03766	1.2
281.01776	17.8
281.07047	3.7
285.00812	1.3
304.03281	1.2
309.02496	1.1
321.04965	1.4
323.04370	3.7
335.04352	1.2
353.05505	3.7
362.09705	1.7
367.03357	23.0
371.06308	1.2
381.05127	1.5
385.04370	19.0
386.04654	1.3
443.05682	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	4.3
55.05508	43.7
56.68809	3.3
56.96558	3.0
57.03427	11.1
57.07075	5.2
63.36504	3.0
65.03939	3.2
67.05502	78.2
69.06718	4.3
69.07067	61.1
70.30449	3.6
70.72415	6.4
71.04957	4.7
72.08133	4.1
75.32527	2.8
79.05492	31.1
81.07053	100.0
83.04971	3.8
83.08622	36.6
85.06539	6.6
87.00819	12.8
91.05496	17.1
93.07042	36.4
94.73769	2.9
95.04967	3.6
95.08604	78.4
96.41933	3.1
97.06528	6.5
97.10175	22.1
99.08132	5.2
105.01855	8.1
105.07024	13.8
107.08567	21.5
109.06551	3.2
109.10153	37.6
111.08077	5.4
111.11744	7.6
111.92891	3.3
119.08577	15.9
121.10133	26.8
123.11707	17.8
125.05917	3.7
125.09618	3.9
127.03902	3.6
131.08569	5.0
133.10118	10.1
135.11693	22.3
136.99556	3.3
137.09546	3.6
137.13255	3.9
139.07539	3.3
139.11168	3.3
143.03383	12.0
145.10085	3.9
147.11674	10.5
149.13251	17.8
153.01828	33.5
161.13274	8.0
163.14813	12.2
171.11838	3.8
175.14828	8.7
179.03419	7.2
189.16405	3.3
216.10014	3.0
245.22531	18.3
263.23703	29.1
271.06006	9.4
281.24738	11.4
305.24640	3.6
349.23648	25.4
355.28375	13.1
367.24838	7.8
407.29633	3.3
418.67719	3.4
423.27197	9.7
441.28531	26.8
442.28433	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.246
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
51.44037	0.4
55.05499	1.5
56.14606	0.4
67.05492	0.4
67.99498	0.4
69.83871	2.4
79.01850	1.8
79.05487	0.9
81.03390	0.5
81.07017	0.7
81.52406	0.4
83.08627	0.5
85.02892	0.8
91.05452	0.9
97.02863	0.5
100.11263	0.9
105.07090	0.5
119.08628	0.6
125.02317	1.9
127.03896	1.5
129.07001	0.5
131.04950	0.6
135.04433	1.6
139.03877	0.6
143.03406	3.4
144.05812	0.4
145.06421	2.0
147.04410	0.9
151.03937	1.4
153.01820	28.9
153.02777	1.2
154.02138	1.2
157.06448	0.6
163.03966	1.1
165.09123	0.6
172.45908	0.5
173.06052	0.7
179.03380	8.8
181.04944	0.4
182.15471	0.6
187.04019	0.5
197.05992	0.5
201.03680	0.4
201.05484	1.0
203.05293	2.9
203.06969	0.7
209.13327	0.5
213.05374	0.5
225.05542	0.5
225.16550	0.4
229.04927	1.3
230.47104	0.4
243.06657	0.5
257.03284	0.7
261.18283	2.2
271.05972	7.7
272.06396	0.8
273.15097	0.7
279.19150	0.9
287.05551	1.2
289.07034	0.8
331.04465	1.6
349.21765	1.0
367.22690	1.0
441.24597	100.0
442.24930	3.2
454.02435	0.4
459.59103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.6
51.52389	1.1
52.12870	1.0
53.03927	2.1
53.48956	0.9
53.75645	1.0
55.01866	6.0
55.05513	12.1
56.96573	1.3
57.03440	2.1
67.05173	1.2
67.05504	16.6
68.99776	1.7
69.07053	5.0
70.15884	5.0
71.04985	2.8
74.64054	1.3
79.01849	3.6
79.05493	16.2
81.07047	15.3
83.04971	1.2
83.08609	3.8
91.05485	12.1
93.07039	10.5
95.04977	2.7
95.08598	12.8
97.10152	4.4
98.97586	1.5
102.31745	1.2
103.05476	1.4
105.07024	10.4
107.04942	4.1
107.08607	8.2
109.10164	6.1
111.08089	1.3
115.05437	3.1
117.07047	6.6
119.08578	4.6
121.06493	10.1
121.10141	4.3
123.04465	1.8
123.08083	2.8
125.02306	2.2
125.09624	2.3
127.03920	1.9
128.06229	5.9
129.07007	15.9
131.04918	11.4
131.08563	8.8
133.06480	5.9
133.10110	2.3
133.33707	1.1
135.04375	1.4
135.08020	1.4
141.06975	7.4
143.03423	5.0
143.08565	10.2
144.05692	5.5
145.06477	94.5
145.10112	2.2
147.08017	8.2
153.01823	53.0
153.02834	2.3
154.02206	2.1
155.08626	7.1
157.06503	12.4
157.10052	2.5
159.04372	1.3
159.08049	10.0
161.06003	7.2
163.03909	1.8
165.07002	2.0
167.08569	5.0
169.06480	8.6
169.10161	4.2
170.07268	1.5
171.08052	18.4
171.11644	1.4
173.05978	2.4
173.09668	3.1
179.03371	15.2
179.08554	2.2
181.06516	4.7
181.10097	5.5
183.08063	6.9
183.11668	2.7
184.08849	1.7
185.09595	7.6
185.13228	2.6
187.14879	1.6
191.08545	1.5
193.10226	2.4
195.07993	7.3
195.11681	13.9
196.08888	1.6
197.05869	1.2
197.09651	6.2
197.13281	6.9
199.11154	1.8
199.14746	1.1
207.11647	2.4
209.09625	3.8
209.13289	2.9
211.11229	7.9
213.12679	2.6
221.13257	2.2
223.11195	6.2
225.12770	4.9
227.14357	9.8
229.04948	2.6
235.11232	3.7
237.12697	11.6
239.14346	4.0
243.13795	1.6
251.14343	1.6
253.15945	1.6
255.13811	18.0
257.15430	1.8
271.05945	15.3
272.06772	1.2
273.14838	37.5
275.14224	1.5
281.15424	2.5
283.16901	4.9
287.05460	1.8
287.16135	1.3
293.15436	2.1
295.16849	3.4
299.16473	3.3
307.17102	1.3
311.16635	5.8
313.18246	1.8
321.22064	1.5
323.19983	2.4
325.17969	2.5
331.04504	2.3
331.20636	2.9
339.23160	9.4
344.04291	1.2
349.21643	38.1
362.29227	1.3
367.22659	63.2
368.23022	2.3
377.24719	2.4
385.23685	10.7
387.23230	3.3
395.25830	2.4
405.24341	12.9
423.25244	6.1
441.26361	100.0
442.26538	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	441.116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32376	1.7
56.96565	17.9
63.27571	1.8
70.06577	2.2
71.29726	3.2
84.96028	8.4
85.02888	2.2
91.05490	9.2
97.02844	3.1
97.96784	5.0
98.97577	40.1
110.97556	12.0
115.97839	3.6
116.98607	27.3
123.04436	18.4
128.98596	16.6
131.00089	2.3
134.99652	10.8
139.03885	2.3
143.00127	6.2
143.03374	2.0
146.99615	11.3
147.04373	9.1
149.01219	3.5
152.98517	5.6
153.01805	14.9
155.03415	2.3
155.74426	1.8
158.99631	9.2
161.01164	8.7
161.05988	3.6
162.99170	3.8
170.99586	11.5
173.01176	3.9
177.00682	13.7
177.05392	2.2
179.03336	6.0
183.03168	4.4
189.00671	6.4
195.01680	2.5
201.00664	3.1
207.03299	15.4
219.01660	16.6
225.04213	11.6
229.04930	2.2
237.02820	40.8
243.06537	2.3
243.97325	1.7
255.03876	2.9
271.05988	9.8
287.05545	2.5
289.07089	5.8
301.06836	2.1
309.06445	18.8
327.07489	68.5
328.07870	3.1
331.11359	1.8
350.09082	3.3
395.05637	1.7
423.10437	3.1
441.11008	100.0
442.10870	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2458
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
51.02386	0.3
54.87942	0.3
55.05492	0.3
56.16424	0.3
67.26771	0.3
68.99782	0.4
71.11814	0.4
71.12158	0.6
79.01833	0.7
81.07019	0.5
85.02899	0.4
125.02332	0.6
127.03905	0.7
135.04437	0.5
143.03389	1.3
153.01825	11.2
163.03938	0.5
179.03357	2.4
203.05246	5.0
203.07076	0.4
220.10413	0.4
232.48282	0.3
261.18240	2.1
271.06088	3.1
279.19183	0.7
280.19669	0.3
287.05353	0.5
294.89420	0.3
441.24582	100.0
442.24902	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	441.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.6
53.03941	1.0
55.01866	1.2
56.96564	7.2
57.03415	1.1
59.06120	1.2
68.99777	2.0
69.03421	3.0
70.06588	1.0
71.05041	0.8
71.59319	1.4
78.52108	0.8
79.01831	3.4
81.03408	6.2
83.04980	2.5
84.96027	2.3
85.02908	7.0
91.05468	1.3
97.02885	5.7
98.97572	10.3
99.04442	0.9
102.75499	0.8
103.03921	2.1
107.01344	1.4
107.05008	0.7
109.02851	4.4
110.97549	2.1
116.98615	9.9
119.04933	1.3
123.04420	6.2
125.02319	3.8
127.03907	13.7
128.98582	4.3
131.00175	1.0
134.99657	5.5
135.04402	1.7
139.03888	3.3
142.19377	0.8
143.00186	1.8
143.03372	7.6
145.04904	1.0
146.99632	5.9
147.04398	4.7
151.03909	5.2
153.01814	100.0
154.02193	2.1
158.99640	2.0
161.01219	4.4
161.06024	1.0
162.99092	0.9
163.03902	3.3
165.05458	1.1
169.04953	5.4
170.99677	1.5
171.01622	1.0
171.02876	6.1
177.00702	3.5
179.03419	4.4
189.00725	2.6
189.05469	1.8
191.03433	1.0
193.01695	0.9
193.04898	3.9
195.02991	1.1
201.00682	2.1
201.05428	1.1
211.02736	1.3
217.04901	5.2
218.99796	1.2
219.01700	7.9
224.04541	0.8
229.04945	1.0
235.06027	3.0
237.00664	1.1
237.02774	11.9
242.95840	1.0
255.01759	3.8
255.04745	3.2
261.02991	2.4
261.12357	1.3
270.91083	0.8
271.05984	5.4
273.02673	5.8
279.03949	2.5
279.09555	1.2
279.13443	1.1
287.05261	1.1
297.03079	0.9
297.05933	3.9
315.07230	2.0
333.02692	1.1
381.04929	6.8
399.05911	10.6
422.07114	0.9
441.07498	1.3
441.17322	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	441.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
53.08569	0.3
58.04452	0.4
60.76617	0.4
66.00830	0.4
69.03445	2.1
69.12755	0.4
69.28719	4.1
79.01859	2.9
81.02984	0.4
81.03417	5.8
85.02923	1.9
88.40698	0.4
93.03397	0.4
95.01096	0.9
97.02888	3.2
98.20736	0.6
98.97586	0.6
99.04465	0.5
107.01310	1.4
109.02879	4.1
110.85619	0.4
112.01360	0.5
113.02132	0.8
125.02374	2.7
127.03915	100.0
128.04279	1.2
142.26761	0.4
143.03395	5.2
147.04419	0.4
153.01825	62.5
154.02127	1.2
171.02858	5.3
185.04221	1.4
203.05165	0.6
204.07658	1.4
207.03156	0.5
252.05659	0.4
261.03824	0.5
279.12119	0.7
285.03922	0.4
291.05014	0.5
297.05981	5.7
315.07135	1.5
363.07016	0.5
441.17368	52.1
442.17310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.5
51.02378	0.9
52.62930	0.3
55.01871	0.3
56.96568	0.7
59.74452	0.3
65.21390	0.3
68.99789	2.7
69.03403	1.0
69.46867	2.6
70.06583	0.9
71.04972	0.4
73.02926	0.3
76.53581	0.3
77.74066	0.3
78.14071	0.3
79.01852	6.7
81.07047	0.6
85.02879	0.8
88.64680	0.3
91.05482	0.4
93.07059	0.3
93.49155	0.3
97.02878	2.2
98.97568	1.0
107.01314	1.1
107.04948	0.7
109.02847	0.3
111.00836	0.6
116.07062	0.9
116.98633	0.9
119.04945	0.4
120.08113	0.5
123.00806	0.4
123.04427	2.5
125.02338	4.2
127.03915	5.8
133.02829	0.4
134.99649	0.4
135.04417	3.0
139.03938	0.4
141.06973	0.5
143.03391	10.1
145.06499	0.3
147.04385	1.2
149.05977	0.5
151.03922	0.3
153.01822	100.0
153.02811	4.1
154.02177	1.0
155.04893	0.5
157.06467	1.0
159.04424	0.7
163.03900	4.0
167.07068	0.4
169.06454	0.6
173.05986	3.2
177.00652	0.4
179.03386	28.1
180.03680	0.4
183.04375	0.8
185.05963	0.8
187.03871	0.6
197.05984	2.1
197.07823	0.5
201.05482	3.8
203.06975	1.7
211.03989	0.4
213.05473	1.3
219.01657	0.4
225.05409	1.8
229.04958	3.5
231.06172	0.3
237.00673	0.4
237.02792	0.7
241.05008	0.9
243.06580	0.7
247.05965	0.3
253.05009	1.5
259.05801	0.4
261.12424	0.4
269.04343	0.4
271.06006	29.1
272.06241	0.8
279.13266	0.8
287.05466	4.6
289.07019	1.7
290.48273	0.4
297.03909	0.4
298.10715	0.6
312.97900	0.5
315.04929	1.4
331.04449	6.2
335.09598	0.5
381.03030	0.4
441.08258	0.3
441.17831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14436	1.2
56.96562	22.7
60.97785	1.2
61.80348	1.5
67.35712	1.3
69.42148	2.4
69.42550	10.0
77.66098	1.2
79.01862	2.6
81.07072	1.2
82.95047	1.3
84.96037	4.5
85.86347	1.3
86.91831	1.3
91.05488	2.9
93.07069	1.3
97.72134	1.3
97.96805	3.6
98.38326	1.2
103.50205	1.5
104.93625	1.3
115.97838	2.4
116.98642	1.6
119.04942	5.5
125.02370	3.3
127.03911	1.9
128.98596	1.3
133.98857	1.5
135.04437	1.4
143.03424	5.0
146.99855	1.5
147.04405	17.0
153.01826	47.1
153.02824	2.8
163.03897	2.5
173.05978	2.0
179.03386	15.5
191.00226	1.5
193.01729	20.0
195.03320	5.3
196.56958	1.3
198.35855	1.1
201.04286	2.4
203.00304	5.2
203.02121	1.4
205.01764	3.8
209.01225	2.6
211.02779	34.6
213.04356	8.9
221.01190	10.0
222.01965	2.2
223.02798	7.1
229.04318	1.7
239.02264	90.6
240.02667	2.1
251.02286	4.6
257.03329	100.0
258.03662	1.6
262.03879	2.8
263.02264	3.3
267.06918	12.5
269.03394	8.5
271.06042	16.4
275.04538	2.2
280.04980	1.7
285.07877	10.8
287.04755	5.1
289.06937	1.4
299.06177	1.7
311.05927	8.3
321.04355	2.6
325.03821	4.2
329.06949	17.3
331.04611	4.0
339.05405	33.3
340.05569	1.4
341.06891	1.6
343.04916	21.4
344.05054	1.3
351.05325	2.4
357.06406	26.9
357.10480	2.0
361.05902	3.4
365.03278	5.5
367.05042	1.6
369.06409	13.7
379.04910	10.7
383.04385	61.4
384.04596	2.1
384.34286	1.7
385.05939	20.2
387.07562	5.5
397.05969	39.1
401.05423	34.9
403.07104	6.3
406.06119	4.5
415.07056	4.4
420.07370	2.8
441.05804	16.9
441.24988	10.0
459.05963	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.1
57.88685	0.6
62.08559	0.6
67.05509	0.9
68.24980	0.5
68.99789	4.1
69.03414	0.9
72.53905	0.6
77.33257	0.6
79.01859	6.3
79.05492	0.9
81.07027	1.2
85.02885	0.9
91.05457	1.3
93.07036	0.7
95.04991	0.6
96.79002	0.6
97.02888	1.7
97.06517	0.8
98.21539	1.2
105.07027	1.4
107.01327	1.3
107.04947	0.8
109.10110	0.7
111.00784	0.7
116.77665	0.6
123.04420	2.1
125.02315	4.2
127.03914	3.9
135.04401	2.7
138.96828	0.6
139.03926	1.9
141.06912	0.9
143.03391	9.3
148.11191	4.4
151.03963	0.9
153.01826	100.0
154.02179	0.8
155.04820	0.8
157.06503	1.1
163.03915	3.6
169.06447	0.7
173.05925	3.2
179.03395	28.8
185.05962	0.9
187.03896	0.7
197.05997	2.1
201.05446	3.4
203.06941	1.7
213.05592	1.0
225.05443	1.6
229.04929	4.4
241.04840	1.3
243.03168	0.7
243.06511	0.9
253.05136	1.4
271.06003	29.4
287.05472	4.0
289.07050	1.6
297.03848	0.7
315.04938	2.0
331.04507	8.0
441.15302	4.7
441.21036	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	63.1
60.40969	1.0
60.45851	1.0
66.51077	0.8
67.05495	2.0
68.99767	1.4
69.62095	7.3
70.06554	1.0
74.97622	2.7
79.01850	3.0
79.05505	0.9
84.96025	6.7
91.05483	4.3
97.02916	1.1
97.96811	4.0
98.97594	6.9
109.10153	1.3
115.97850	2.8
116.98634	4.3
119.04937	5.3
123.98103	1.1
125.02348	2.8
126.97072	1.3
127.03938	2.0
128.98555	1.6
129.10355	1.3
134.99693	1.8
135.04442	2.6
143.03419	4.8
144.98071	3.3
145.06491	1.5
146.99722	1.7
147.04399	10.6
153.01820	44.5
162.99106	3.5
163.00603	1.9
163.03928	2.6
165.02251	2.9
169.01773	1.6
175.00665	1.0
179.00130	1.1
179.03395	11.0
181.01663	5.0
183.03273	16.8
183.04724	1.4
187.02739	1.5
193.01726	29.5
195.03331	4.0
197.01257	3.2
199.02682	2.1
201.04320	34.0
201.06068	1.7
203.00275	4.3
203.05301	4.1
205.01772	3.7
209.01289	2.3
211.02771	51.5
213.04286	12.9
219.05344	4.4
221.01201	18.4
221.03215	1.5
222.01759	1.1
223.02765	9.4
224.05917	2.1
229.03717	1.7
231.05406	1.5
233.01183	1.9
234.04391	2.6
239.02255	88.1
240.02519	1.4
241.03836	3.6
244.02798	1.4
245.01283	2.5
251.02176	5.1
253.05177	1.5
257.03326	86.6
258.03754	1.3
261.18246	1.4
262.03827	4.6
263.02295	6.5
267.06927	16.6
269.03299	13.1
271.06015	15.2
273.00742	3.7
275.04367	2.9
280.04984	3.4
283.06412	1.1
285.07959	9.7
287.04413	8.5
289.07242	1.4
291.01794	3.2
293.05008	1.3
299.05988	2.0
311.05890	14.3
315.05069	1.2
321.04279	7.9
325.03815	2.0
329.03400	0.8
329.06918	21.2
331.04492	2.1
339.05405	34.5
341.07266	1.2
343.04907	16.1
351.05243	5.7
355.04755	1.5
357.06491	9.7
361.05948	2.0
362.07159	2.3
365.03229	14.6
366.06635	1.4
367.04974	3.7
369.06512	14.3
373.05914	2.5
379.04874	29.3
383.04370	100.0
384.04849	2.5
385.05960	24.9
387.07571	2.9
390.97574	1.8
397.05960	31.7
398.06284	1.3
401.05408	20.9
401.10257	1.8
403.06927	6.6
406.05951	9.3
408.07678	1.4
420.07578	2.3
420.59354	1.0
424.07016	1.5
441.05008	14.2
441.24612	95.0
459.05997	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	440.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.9
53.03944	2.1
53.04158	0.4
55.05509	1.4
56.96572	0.4
57.03434	5.2
60.51040	0.3
61.02917	0.4
65.03933	0.4
66.53745	0.3
67.05501	1.4
68.99786	0.7
69.03431	1.2
69.53433	0.8
69.53830	2.6
72.08176	0.4
73.47651	0.3
77.03932	1.0
78.04652	0.4
79.01853	1.1
79.05048	0.7
79.05488	8.7
80.95561	0.3
81.03394	0.5
81.07061	1.1
83.05605	0.4
84.27459	0.3
85.02909	0.4
91.05474	13.6
93.07038	74.4
94.07375	1.2
95.04955	8.9
95.08591	4.4
97.02911	0.4
103.05463	1.0
104.39064	0.3
105.04493	1.1
105.07022	9.0
106.07824	0.5
107.01305	0.4
107.04952	8.7
107.08585	2.6
109.10170	1.0
109.81394	0.4
112.14802	0.3
119.04926	5.2
119.08546	2.2
121.06512	0.9
121.10135	100.0
122.10487	1.6
123.04398	0.6
123.08080	2.4
125.02348	1.1
127.03895	1.0
129.07016	0.5
131.04860	0.5
131.08591	2.6
133.06549	0.7
133.07593	0.8
135.04398	1.0
135.08075	0.6
137.05954	0.7
139.11203	0.5
143.03369	2.4
145.06471	0.9
147.04402	10.3
148.31021	0.4
149.09610	20.8
151.03970	0.4
151.07521	2.1
153.01819	22.9
153.02774	0.8
157.06413	0.6
159.04398	0.5
161.05983	0.6
163.03842	1.0
163.07549	0.5
165.05385	0.4
167.10648	0.5
173.05983	0.8
175.03827	0.7
175.07605	0.4
179.03394	6.9
185.09596	0.6
192.97733	0.5
193.04910	3.0
199.11104	0.5
201.05421	1.1
203.07021	1.4
207.99959	0.4
211.05934	0.7
227.14279	0.7
229.05009	0.7
243.06573	0.4
243.13795	1.1
255.13818	1.8
271.06012	6.7
287.05466	1.5
287.16174	0.6
289.07050	1.1
295.13245	1.6
303.12274	0.4
307.08057	0.8
315.04895	0.5
315.15811	3.9
323.07718	0.5
331.04492	1.9
341.13803	0.6
349.12689	0.8
359.14832	1.3
377.15939	0.5
387.14206	0.4
388.10938	0.4
405.15292	2.6
440.23096	2.6
441.24832	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01865	1.6
55.05269	0.9
55.05507	14.5
55.80286	0.9
57.03443	6.5
57.07059	1.2
59.04992	5.0
61.02872	1.0
65.03919	2.8
67.05500	100.0
68.05803	1.8
69.03399	3.9
69.07066	6.1
71.04984	6.3
78.32620	0.8
79.05486	14.9
80.47838	0.8
81.03409	30.0
81.07052	31.2
83.04985	5.7
83.08618	14.7
85.02904	16.1
85.06509	2.9
91.05470	22.5
93.07030	11.4
95.04962	13.3
95.08605	10.6
97.02883	1.4
97.06490	2.0
97.10142	3.1
98.21590	1.7
105.07018	11.0
107.04923	2.6
107.08582	7.8
109.06482	3.2
109.10149	65.2
110.10511	1.1
111.04452	1.0
111.08071	8.2
113.05990	2.1
117.06973	1.4
119.08581	13.5
121.10110	5.4
123.08085	1.2
123.11665	2.4
125.09601	2.4
129.06972	4.5
131.08575	5.7
133.06441	1.3
133.10097	4.5
135.11655	1.1
137.09566	3.3
145.10129	0.9
147.08124	1.3
147.11668	9.6
149.09599	2.6
155.10664	3.0
157.10150	6.6
165.12738	2.9
173.11734	18.5
175.11162	8.0
179.45230	0.9
193.12239	31.9
194.12601	1.1
211.11298	1.7
211.13277	34.7
229.14325	2.8
267.15848	2.8
285.17010	1.2
343.61505	1.1
348.22614	1.0
421.25845	2.0
439.26834	55.8
440.27176	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	439.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19733	0.8
53.03942	2.1
55.01862	2.1
55.05511	15.6
56.96555	2.4
57.03436	8.5
57.07069	1.1
59.05001	5.0
61.02916	2.8
65.03935	1.8
67.05504	100.0
69.03430	4.1
69.07065	5.6
69.33281	8.9
70.03130	0.8
71.04985	5.4
73.02934	1.7
76.06844	0.8
79.05492	13.7
81.03417	33.1
81.07059	29.1
83.04973	7.0
83.08612	15.1
85.02428	1.1
85.02906	19.5
85.06543	3.0
89.48664	0.9
91.03936	1.7
91.04966	1.6
91.05483	23.8
93.07046	11.4
95.04964	15.6
95.08607	9.3
97.02908	4.9
97.06547	2.0
97.10169	2.0
98.20775	2.0
99.04458	0.8
101.02361	0.9
105.07028	12.1
107.04943	3.3
107.08585	7.6
109.06496	1.8
109.10154	66.7
110.10487	1.0
111.08091	8.6
113.05981	2.0
119.08581	14.0
121.10130	6.1
123.11743	1.3
125.09602	1.4
129.07043	5.0
131.08598	6.2
133.10147	4.9
137.09602	3.7
142.07727	1.0
142.70015	0.8
145.10181	0.9
147.08124	1.6
147.11708	8.8
149.09630	3.1
155.10696	3.5
157.10136	8.1
165.12823	2.5
173.11726	17.6
175.11186	7.3
193.12244	34.7
211.13284	34.9
212.13524	1.1
229.14380	1.4
243.08946	1.4
267.08939	2.6
267.16104	2.0
269.12418	3.2
270.12610	2.1
271.12094	2.0
285.10107	5.6
287.11807	1.1
324.11368	2.8
324.61533	1.3
411.71307	1.0
421.25967	1.2
439.26932	49.5
440.27258	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.23
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
53.03959	0.4
55.05487	0.7
55.30043	0.3
56.96554	0.7
57.03415	0.5
61.02914	0.8
65.03933	0.3
67.05500	4.9
69.03414	0.9
69.07065	0.8
71.04987	0.6
71.59481	0.5
79.05491	1.7
81.03401	2.2
81.07050	2.3
83.04960	0.7
83.08595	1.0
85.02906	1.6
85.06526	0.8
91.05479	1.6
93.07025	1.3
95.04960	1.3
95.08604	1.3
97.02873	0.7
98.97609	0.6
100.11201	0.4
105.07008	1.4
107.04926	0.4
107.08556	0.6
109.06510	0.4
109.10139	3.4
111.08057	0.7
116.98650	0.6
117.69503	0.4
119.04852	0.4
119.08594	1.0
120.08127	0.7
127.03932	0.4
129.06999	0.4
131.04837	0.3
131.08533	0.5
133.10091	0.9
142.34210	0.3
147.11655	0.3
149.01320	0.4
157.10107	0.6
158.99670	0.4
160.13963	0.4
161.09596	0.4
165.09138	0.5
173.11702	1.0
175.08630	0.4
175.11177	0.4
193.12270	1.8
203.05263	2.0
211.13307	2.0
259.16635	0.8
267.09091	0.4
277.17734	1.4
285.10092	1.3
324.11420	0.6
371.16754	0.9
409.21902	11.7
438.05133	0.4
439.22955	100.0
440.23352	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	17.3
55.26440	3.2
56.96552	7.0
57.03431	9.2
59.04974	3.7
60.77947	2.9
61.02911	7.6
65.03912	4.1
67.05502	100.0
69.03426	7.4
69.07056	11.1
71.01331	2.7
71.04989	7.3
71.11803	7.2
73.02891	3.2
74.42751	3.3
79.05478	25.2
81.03410	24.6
81.07048	38.2
83.04959	13.0
83.08620	19.5
85.02895	24.6
85.06527	6.8
91.03893	3.4
91.05478	24.1
93.07040	26.2
95.04961	12.5
95.08617	18.2
97.02889	8.1
97.06532	2.9
105.07008	25.0
107.04940	5.5
107.08594	16.9
109.06490	5.7
109.10150	66.3
109.10851	2.5
109.20797	3.1
111.08073	8.3
119.08567	21.8
121.10123	25.8
123.08100	3.2
123.11688	8.2
125.09619	3.7
129.06987	3.2
131.08534	3.5
133.10120	38.5
135.11678	6.3
137.09601	25.5
142.07719	3.4
147.11668	12.0
149.09593	6.2
149.13297	3.8
151.11252	5.5
155.10678	3.1
157.10103	6.5
161.09628	3.2
161.13177	4.9
165.12631	4.2
166.42892	3.0
173.11723	13.8
175.11162	8.0
175.14807	13.2
185.13271	4.0
193.12230	25.7
198.13373	2.9
203.05295	9.4
203.14394	3.8
211.13278	34.5
243.08896	3.5
259.20572	22.8
267.09024	7.9
269.10538	3.4
277.18198	4.9
277.21625	67.8
285.10046	12.6
286.10434	5.5
287.80688	3.0
324.11572	5.6
324.61581	4.7
348.65427	3.3
439.22507	16.3
439.27802	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2302
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
62.78510	0.4
70.00787	1.7
70.01180	0.7
88.62270	0.3
95.01092	0.6
113.02166	0.7
118.06529	0.3
127.03712	0.4
147.04410	0.4
157.04738	0.5
169.04736	0.8
181.72853	0.3
186.05103	0.4
203.05278	1.8
211.94951	0.4
220.11217	0.6
259.16592	2.0
277.17715	3.4
277.20370	0.4
347.69153	0.3
347.73349	0.4
369.18817	5.5
375.05609	0.7
381.03864	0.4
393.03680	0.6
411.04898	0.7
435.31039	0.4
439.23038	100.0
440.23267	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	439.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53101	0.3
60.63766	0.4
65.91960	0.3
66.19714	0.3
67.05495	0.4
69.03442	0.3
71.12083	0.7
81.03389	0.3
81.07019	0.4
83.01090	0.3
85.02903	0.4
91.03952	0.3
91.05468	0.3
95.01071	0.5
96.01870	0.6
97.02672	0.7
102.23731	0.3
105.07093	0.3
108.54636	0.3
113.02143	0.7
119.04957	0.3
119.08639	0.3
123.04429	2.1
124.04757	0.9
125.05098	0.3
127.03796	0.7
137.02341	9.0
137.03386	0.7
138.02681	0.4
139.03900	1.1
140.04160	0.7
141.05229	0.4
147.04419	1.3
153.01778	1.4
157.04677	0.4
169.04720	0.8
185.04158	0.3
186.05048	0.5
201.03735	0.3
203.05273	4.0
207.13577	0.4
229.04919	0.5
243.10886	0.3
259.16678	2.8
269.12207	1.4
277.17661	2.4
287.05481	4.4
288.05994	0.3
303.05008	4.5
304.05359	0.4
305.99539	0.3
369.18845	6.2
370.19763	0.4
375.21802	0.3
439.06927	3.3
439.23016	100.0
440.23395	4.5
447.88345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45185	0.3
56.96532	0.3
65.31305	0.3
70.85504	1.0
71.05007	0.3
83.01067	0.3
85.02879	0.4
113.02113	0.7
116.41867	0.3
185.04225	0.8
201.03752	0.6
254.41826	0.3
259.16699	0.3
277.17752	0.3
277.21893	0.3
290.90692	0.3
327.14078	0.6
361.02191	0.6
369.18903	1.8
421.21887	0.7
439.23065	100.0
440.23480	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	439.2295
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
70.17101	1.6
71.04988	0.6
85.02908	0.5
98.63933	0.4
108.01566	0.4
113.02152	0.4
147.04379	0.4
153.01758	0.4
178.64122	0.3
185.04237	1.0
201.03705	0.9
203.05403	0.5
208.62692	0.4
245.61044	0.4
262.55252	0.4
276.27005	0.4
311.07376	0.5
327.14172	0.5
361.02469	1.1
369.18777	2.4
399.73492	0.4
421.22177	0.6
439.23065	100.0
440.23477	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	439.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41180	0.6
56.96551	0.5
65.88921	0.5
67.56095	0.5
69.03420	0.8
70.06558	0.8
70.14309	1.0
70.14706	1.0
75.92010	0.5
81.03415	0.6
82.03970	0.5
83.01082	0.8
83.33803	0.5
85.02914	1.0
85.48445	0.4
85.52428	0.5
89.75672	0.4
93.07047	0.6
95.01092	1.7
96.01872	1.3
96.60612	0.5
98.20775	0.6
105.07033	0.9
112.01314	1.1
112.18465	0.5
113.02122	2.5
123.04457	1.2
127.03922	2.1
129.07037	0.5
135.04388	0.5
135.08023	0.6
147.04430	0.8
149.05850	0.6
153.01797	1.3
157.04659	0.8
158.97406	0.7
163.03918	0.5
167.03188	0.8
185.04169	3.7
201.03766	1.0
202.06004	2.5
203.05257	0.8
203.07016	0.6
234.99059	1.0
235.18362	0.5
287.05545	0.8
305.39874	0.5
388.89832	0.5
431.59442	0.4
436.32303	0.5
439.15784	100.0
440.16071	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	439.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46421	0.3
56.96547	0.4
65.16885	0.3
66.78219	0.4
69.03449	0.6
70.06578	0.6
70.56794	1.0
72.08175	0.5
81.03456	0.6
82.03953	0.5
83.01096	1.2
84.01868	0.5
85.02905	0.7
85.69814	0.3
89.07869	0.4
95.01096	1.9
96.01875	1.0
97.02866	0.4
98.97596	0.4
103.05467	0.4
109.87978	0.4
112.01363	0.7
113.02140	2.0
116.98727	0.4
123.04458	1.4
126.02920	0.6
127.03919	1.4
131.04988	0.4
135.04362	0.5
153.01839	1.9
157.04836	0.5
163.03926	0.5
185.04216	4.6
187.03680	0.4
193.12317	0.4
198.52887	0.4
201.03709	1.8
202.06000	3.6
203.03593	0.4
224.05185	0.3
231.06396	0.4
243.08499	0.4
255.07327	0.4
259.08096	0.6
277.10495	0.7
287.05603	0.9
439.15820	100.0
440.16397	2.1
443.14621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.05029	0.9
57.03162	0.2
57.03435	0.9
57.05806	0.8
59.49909	0.2
61.02932	0.3
67.05499	2.5
69.07066	0.9
69.49216	0.6
69.49622	1.6
70.06590	3.3
71.04996	0.5
72.08151	100.0
73.08491	0.3
79.05494	1.5
81.03415	0.4
81.07045	2.8
83.04993	0.4
83.08621	0.6
85.02905	0.5
90.09187	3.6
91.05484	0.7
93.07043	2.1
95.05015	0.2
95.08614	1.0
97.02898	0.6
97.06512	0.4
98.21484	0.6
105.07037	0.4
106.34621	0.2
106.83151	0.2
107.04920	0.2
107.08609	1.6
109.06470	0.3
109.10147	0.3
111.08126	0.3
117.07001	0.3
121.10150	1.0
130.37694	0.2
131.08545	0.2
133.10164	0.5
135.11755	0.4
147.04463	0.4
149.09573	0.2
149.13211	1.5
150.85266	0.2
153.01822	2.1
159.11713	0.7
170.05766	2.6
177.12746	0.3
185.31367	0.2
195.13875	0.7
208.26436	0.2
211.13245	0.3
244.09561	0.2
267.09219	0.7
269.17468	9.4
285.09866	1.2
320.91547	0.2
324.11554	0.7
332.20071	0.2
334.15149	0.3
420.21384	0.7
438.22089	3.0
439.22983	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72818	3.6
53.03932	5.2
55.01863	9.3
55.05508	31.5
56.96557	13.1
57.03425	12.2
57.07067	11.7
61.02926	25.6
67.05503	51.6
69.03436	25.8
69.07065	36.2
71.01369	4.9
71.05019	5.8
71.08634	4.3
71.59445	6.8
71.64011	3.5
73.02918	20.1
79.05486	25.6
81.03428	44.2
81.07053	100.0
81.93777	3.8
83.04972	9.0
83.08629	26.0
85.02901	48.1
85.06564	8.8
91.03961	12.0
91.05479	27.2
91.35928	4.4
93.07033	41.6
95.04969	23.4
95.08607	84.0
97.02888	32.1
97.06513	10.2
97.10169	9.5
99.04449	7.6
101.02361	3.9
103.03949	5.9
105.07044	31.8
107.04954	8.1
107.08589	37.2
108.05247	3.8
109.02845	4.3
109.06514	7.9
109.10161	57.9
111.04435	8.6
111.08076	17.4
111.11723	7.4
115.03968	4.3
117.07015	7.1
118.52856	3.8
119.08590	29.3
121.06509	6.5
121.10144	23.9
123.04429	9.0
123.08041	5.2
123.11733	27.8
125.06037	4.2
125.09619	8.5
125.75174	3.7
127.03915	8.3
129.05505	5.9
131.01826	4.5
131.04924	7.9
131.08562	13.6
132.95877	3.9
133.10118	19.0
135.08020	8.5
135.11702	25.4
137.05930	4.1
137.09584	8.8
137.13254	10.0
139.03932	5.8
139.07536	4.1
145.04938	8.7
145.10138	14.0
147.04395	10.6
147.08113	6.3
147.11662	12.8
149.09563	7.8
149.13271	23.2
151.07555	4.5
151.14716	4.0
153.09184	5.2
157.10106	7.0
159.11716	6.6
161.13229	6.6
163.14854	11.9
165.09125	4.0
165.16403	4.4
167.10663	6.1
173.13324	7.3
175.11156	8.5
175.14871	5.0
177.09122	4.1
177.16411	7.6
179.10703	5.3
187.14734	5.0
189.00514	4.3
189.16345	5.0
191.17976	6.6
193.12262	11.9
201.16312	6.5
205.04848	4.1
205.19650	4.6
209.11690	6.3
211.07739	3.8
211.13336	9.0
217.19612	4.8
227.12772	5.9
235.13458	6.5
243.08865	11.4
251.11263	9.1
265.05252	7.0
267.08948	18.3
267.15829	14.0
269.12411	50.9
270.12427	5.5
273.25580	4.3
283.06210	21.3
285.10156	47.8
285.16849	6.6
292.13782	4.2
317.28458	5.9
324.11444	14.5
347.29428	4.9
375.04529	4.0
377.30469	7.8
401.30353	12.8
419.31778	23.5
437.21155	22.3
437.32697	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	437.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
54.28923	0.5
55.01867	1.2
55.05508	14.1
57.03440	3.9
57.07067	2.7
59.04989	1.7
61.89114	0.4
65.03936	1.6
66.04720	0.4
66.92783	0.4
67.05502	59.7
68.05827	0.8
69.03427	0.6
69.07067	9.7
70.84567	1.1
70.84934	0.9
71.04987	8.0
71.08614	0.5
73.06554	0.8
79.05489	25.1
81.03412	0.9
81.07052	100.0
82.07389	0.9
83.04971	3.7
83.08614	7.7
85.06538	10.9
91.05476	16.1
93.07040	25.1
95.04961	4.2
95.08601	11.1
97.06512	5.0
97.10175	1.7
99.08092	1.4
105.04528	0.5
105.07021	7.3
107.04972	0.6
107.08589	15.7
107.09288	0.9
109.06525	2.0
109.10149	6.8
111.08076	2.8
111.11707	0.6
113.05993	0.5
114.27378	0.5
117.07038	3.6
119.08564	3.5
121.06526	0.7
121.10130	11.4
123.11687	9.3
123.87830	0.5
127.07518	0.7
129.07007	0.7
131.08551	4.6
133.10121	10.8
133.11069	0.8
135.08147	0.7
135.11688	5.1
139.11200	1.0
145.10162	0.8
147.11693	1.4
149.13248	16.9
151.11151	5.1
159.11681	7.4
166.05508	0.5
169.12273	2.1
173.13226	0.5
176.35179	0.4
177.12772	2.8
187.13289	9.2
187.30817	0.5
195.13802	5.6
213.14938	1.3
227.12811	0.8
259.20770	1.0
289.76492	0.5
437.19742	14.3
437.29031	40.6
438.19540	1.5
438.29327	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1232
Annotation	Epigallocatechin 3-O-cinnamate
Peak:m/z	Relative Intensity
51.02382	0.9
55.01860	0.9
62.96840	0.6
65.03931	2.0
67.05499	1.9
68.99783	1.2
70.49236	2.2
71.83028	0.5
74.23936	0.6
83.04993	0.6
91.05479	9.9
93.03406	0.9
95.04960	2.4
97.02843	0.6
100.61290	0.6
105.03391	1.5
105.07012	0.7
107.04939	1.2
108.92593	0.5
111.04432	4.5
119.04935	19.5
123.04424	100.0
124.04770	1.3
130.63443	0.6
135.04468	0.8
139.03899	88.0
140.04248	1.1
147.04405	62.6
148.04732	1.3
151.03893	12.2
161.05972	1.1
163.03944	1.2
189.05464	1.5
191.03435	3.7
226.36342	0.5
255.06470	0.7
273.07587	6.1
285.07437	1.5
343.08279	1.0
437.21445	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02367	0.3
65.31237	0.3
68.99785	0.3
69.03400	0.3
69.63597	2.0
74.37946	0.3
79.05471	0.8
89.03911	4.8
105.65541	0.2
107.04946	1.7
111.04430	0.3
117.02608	0.5
117.03379	6.0
120.97398	0.3
121.02896	1.4
121.77924	0.2
135.04410	15.3
136.04729	0.6
145.02837	10.6
145.03995	0.5
146.03143	0.5
147.04428	0.5
147.50507	0.3
153.01845	0.7
154.02002	0.3
163.03894	100.0
164.04222	2.3
181.04924	1.4
257.08029	0.6
287.05481	1.8
288.05811	6.0
289.06015	6.1
290.06281	9.7
291.06528	0.3
303.04922	0.9
304.05359	3.4
329.10193	4.7
373.09189	1.4
391.08142	0.4
419.09641	3.0
427.74570	0.3
436.11896	0.5
437.14511	0.4
462.86127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2737
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03931	3.3
55.01867	2.1
55.05264	1.2
55.05507	17.1
57.03418	3.7
57.07051	1.6
58.39325	0.8
59.04984	3.5
65.03921	2.7
67.05500	100.0
68.05843	1.1
69.03416	2.1
69.07079	7.0
69.49146	2.1
69.49548	5.2
71.04971	3.6
73.06548	1.6
74.68523	0.8
77.03918	1.0
79.05492	38.7
80.05808	1.1
80.35728	0.9
81.03414	6.5
81.07050	35.7
83.04993	6.8
83.08608	7.7
85.02901	1.0
85.06536	3.4
91.05477	38.8
93.07036	36.3
93.07625	2.1
95.04965	16.1
95.08600	21.3
97.06495	2.9
97.10143	3.3
105.03365	1.5
105.04506	1.0
105.06381	1.5
105.07023	22.1
107.04952	6.4
107.08591	13.4
109.06499	3.0
109.10149	56.5
111.08073	2.7
115.05436	0.9
115.13793	0.9
117.06994	5.9
117.98214	0.9
119.08575	17.4
121.06522	4.7
121.10138	3.8
123.08040	3.0
128.06204	2.0
129.06984	10.3
131.08531	4.8
133.10071	6.8
135.08075	1.3
135.11681	4.2
137.09593	2.9
141.09146	1.0
143.08542	4.8
145.10100	7.7
147.08063	1.8
147.11684	17.6
149.09615	1.5
155.10626	1.8
159.11800	1.2
161.09569	2.3
161.13229	5.8
163.11218	1.8
171.11664	12.4
173.11746	13.8
189.12740	5.7
207.13771	15.0
225.14864	1.9
229.14342	1.4
303.05014	3.4
325.21594	1.6
343.22586	5.1
343.26273	1.3
361.23816	2.7
417.26120	4.5
435.27386	48.6
436.27716	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	435.2741
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
51.02380	0.8
53.03940	3.8
55.01871	1.9
55.05509	13.6
56.96576	0.7
57.03435	3.3
57.07079	1.2
59.05018	3.2
59.33603	0.9
65.03947	3.7
67.05503	100.0
68.05824	1.1
69.03441	1.3
69.07063	5.2
71.04991	4.4
71.29543	1.2
72.08149	2.2
73.06559	0.8
77.03928	0.8
77.49777	0.8
79.05490	38.5
81.03418	5.2
81.07055	32.2
82.07392	0.8
83.04975	6.5
83.08620	6.8
85.06539	4.4
87.04483	0.7
91.05479	34.6
92.05818	0.7
93.07040	28.6
93.07624	1.5
95.04969	12.1
95.08606	16.0
97.06564	1.9
97.10181	1.8
105.04538	0.9
105.07024	20.0
107.04966	3.2
107.08594	11.8
109.06514	3.6
109.10150	54.9
110.10595	0.8
111.08083	3.1
117.07021	4.9
119.08576	14.5
121.06513	1.9
121.10139	2.9
123.08103	3.3
125.09599	0.8
127.64792	0.6
128.06232	1.2
129.07005	8.9
131.08598	2.3
133.10147	4.5
135.08075	0.7
135.11720	0.9
137.09605	2.5
139.07587	0.8
143.08534	4.3
145.10091	4.4
147.07967	1.2
147.11684	17.0
155.10698	2.4
159.11674	0.8
161.09654	2.0
161.13246	6.9
169.10126	0.7
171.11682	14.5
173.11749	14.4
173.13127	0.7
173.91229	0.6
179.14290	0.7
189.12720	6.0
201.27956	0.7
207.13805	15.8
210.12819	1.7
211.13318	2.0
225.14987	1.9
229.07625	0.9
247.08609	0.8
253.48207	0.6
281.17755	0.8
303.04984	2.3
310.77167	0.7
343.22635	1.8
417.26273	1.1
435.27411	46.3
436.27844	1.9
456.65482	0.7
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
51.02363	0.7
53.03951	3.4
55.01862	2.2
55.05509	15.6
57.03434	2.2
57.07067	1.2
59.05000	3.7
61.02920	1.1
65.03930	2.8
67.05501	100.0
68.05837	1.4
69.03423	1.1
69.07064	6.0
70.55142	2.1
71.04991	3.4
73.06590	0.9
75.00517	0.5
77.03914	0.7
79.05487	36.7
81.03413	5.7
81.07053	31.8
83.04990	6.4
83.08617	7.2
85.02895	1.0
85.06531	3.6
91.05475	32.3
92.05811	0.9
93.07039	30.4
95.04969	12.6
95.08604	17.1
97.02917	1.3
97.06555	2.5
97.10190	1.8
99.08079	0.7
103.86428	0.7
105.07021	19.6
107.04964	3.6
107.08581	10.6
109.06514	3.4
109.10149	56.2
110.10486	0.8
111.08079	2.7
115.05463	1.0
117.06998	4.6
119.08573	17.3
121.06499	1.7
121.10146	3.3
123.08073	2.9
127.07548	1.1
128.06229	1.6
129.07007	8.0
131.08568	2.8
133.06532	0.9
133.10126	7.2
135.08049	1.5
135.11679	2.5
137.09598	3.0
143.08553	5.3
145.10091	6.6
147.08069	1.8
147.11673	19.4
148.11987	0.7
155.10698	2.5
157.10126	1.4
159.11700	2.8
159.47153	0.6
161.09633	2.1
161.13232	6.9
162.69688	0.6
163.11195	0.9
166.40254	0.5
171.11678	14.3
173.11732	14.9
173.13142	1.4
175.14838	1.2
185.13235	0.7
185.23415	0.6
187.14882	1.2
189.11206	1.2
189.12729	5.9
192.27838	0.7
199.14832	0.9
201.16367	2.0
207.13812	15.7
208.14317	0.8
211.13284	1.0
225.14839	2.0
232.80415	0.6
281.17407	0.7
283.13901	1.0
285.15372	1.8
289.17670	0.6
303.05087	3.1
305.14484	0.7
337.66068	0.6
343.22696	0.9
361.23758	0.9
417.26474	1.2
435.27386	43.1
435.32407	3.0
436.27899	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	435.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.7
61.02914	0.6
69.30970	6.0
71.04992	3.7
81.03419	0.9
85.02905	7.8
97.02906	1.2
98.21513	1.2
98.98469	0.6
107.60670	0.6
123.04404	1.0
127.03917	100.0
128.04254	1.2
153.01823	0.8
162.13705	0.6
264.50192	0.7
271.55569	0.6
289.09149	4.1
348.20291	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.18
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.8
51.02368	1.6
53.03947	4.1
55.01864	0.8
55.05505	5.7
56.96567	0.8
57.03432	1.8
59.05024	0.9
61.02914	1.1
65.03946	1.2
67.05500	29.4
69.03408	1.1
69.07058	3.4
71.04978	1.4
71.19682	1.6
77.03922	1.6
79.05490	14.6
81.03436	4.1
81.07052	18.3
83.04978	2.3
83.08615	3.4
85.02883	1.5
85.06534	1.2
91.04956	1.4
91.05476	15.8
92.65301	0.9
93.07027	11.7
95.04956	17.3
95.08599	4.9
97.02893	1.5
97.06509	1.4
97.10131	1.1
103.05528	0.7
104.36948	0.7
105.03383	100.0
105.04536	2.4
105.07022	8.6
106.03705	0.9
107.04964	5.1
107.08588	5.5
109.06504	1.4
109.10149	13.9
111.04436	0.8
117.07028	2.2
117.58582	0.7
119.04938	2.5
119.08567	5.6
121.06510	2.1
121.10134	2.0
122.03635	1.6
123.04401	0.9
123.08020	1.5
128.06197	1.2
129.06984	6.6
131.08566	3.2
133.06447	1.0
133.10129	2.9
135.08051	1.0
135.11708	2.0
136.05228	1.1
137.05963	19.7
143.08575	2.4
145.06519	1.0
145.10115	2.2
147.04442	1.0
147.11671	4.5
149.09573	1.4
151.07532	9.7
155.10707	0.9
157.06523	4.9
157.10162	1.6
161.06033	1.5
161.09598	1.0
161.13283	1.7
163.03845	0.8
163.07536	1.9
163.11172	1.2
165.06996	4.0
167.08633	0.7
171.11708	3.3
173.06018	0.8
173.11717	3.4
173.13097	1.0
174.06731	1.5
175.07541	2.2
179.08603	0.7
181.06541	0.9
182.07240	1.3
182.16370	0.7
189.09102	9.9
189.12709	1.8
193.06393	1.3
193.10092	2.1
193.12204	1.7
201.73672	0.8
207.13818	3.9
210.06789	2.4
215.27402	0.9
221.05988	4.0
221.09648	2.5
224.08279	1.3
225.09039	2.7
238.06226	1.0
238.10031	1.0
249.09077	2.9
252.07568	0.9
253.08676	2.7
253.12181	7.6
267.10095	2.3
269.07974	1.1
281.11758	3.9
281.17413	0.9
284.10916	0.9
285.11200	8.5
303.05017	6.8
313.14252	9.5
325.21597	1.2
343.22684	5.5
343.47055	0.8
361.23746	1.5
417.26016	1.9
435.27209	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	435.1286
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.16929	0.4
65.03925	0.8
67.01863	1.0
68.99786	1.6
69.03401	1.7
70.86285	1.0
71.04976	1.0
73.02896	1.7
78.25211	0.5
81.03399	0.6
81.07030	0.7
85.02879	2.1
89.67908	0.5
91.05473	3.3
95.04926	1.2
107.04940	1.9
111.00797	1.2
119.04937	10.8
121.02841	1.4
123.04426	3.7
135.04416	0.9
137.02333	1.7
147.04401	36.2
148.04721	0.9
151.03900	1.5
153.01817	67.7
154.02155	1.1
163.03888	2.4
165.01807	1.1
167.07034	1.0
171.02896	3.7
179.03426	0.6
181.04932	1.3
183.02840	1.1
189.05496	1.3
191.03419	0.9
195.02872	1.6
219.02858	0.6
229.05029	0.7
233.07999	0.8
237.48508	0.5
243.06160	0.6
249.10947	0.6
256.00436	0.5
257.04526	1.0
271.05948	1.5
272.06445	1.3
273.07568	100.0
274.08008	3.4
285.07504	1.1
289.06122	1.7
303.04980	30.0
304.05322	1.1
315.92856	0.6
435.21939	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1286
Annotation	2',4',6',beta-Tetrahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
50.59762	0.4
53.03931	0.4
55.01882	0.4
57.03427	1.2
65.03941	0.6
67.27808	0.4
68.99805	1.0
69.03411	0.5
71.51291	0.6
71.51641	0.5
73.02922	2.0
81.03400	1.0
85.02892	2.9
87.04501	0.4
91.05463	1.0
93.03362	0.4
95.04958	0.9
97.02877	1.1
103.16467	0.4
107.04932	0.6
109.02859	1.1
111.00799	1.1
115.03920	1.0
119.05079	0.4
121.02865	3.8
123.04418	1.7
125.02358	0.4
133.04950	0.5
134.05223	0.6
135.04430	0.7
137.02336	3.9
145.06476	0.5
147.04375	2.5
149.02315	0.7
153.01834	6.1
161.05971	0.8
163.03931	2.1
163.59700	0.4
165.01837	7.2
171.02931	0.8
173.05968	0.7
177.01811	2.6
181.04976	0.6
183.02908	4.3
183.04350	0.5
187.03905	0.6
189.01851	1.0
191.03397	3.6
195.01097	0.7
195.02884	12.5
201.05515	2.3
203.03476	0.8
205.04993	0.7
207.02866	0.7
209.04417	0.5
215.03207	0.4
219.02896	6.8
219.06364	0.6
229.04974	6.1
231.02876	3.9
243.02924	1.1
247.06030	0.9
249.03940	2.0
257.04382	3.0
261.03958	3.6
267.17435	0.4
273.07581	1.6
274.04742	1.1
279.04993	0.9
285.04276	0.8
285.07568	4.8
297.07709	2.6
303.04993	100.0
304.05356	5.3
315.05200	0.8
315.08670	2.4
339.08630	5.0
341.51193	0.4
351.08588	2.8
353.54391	0.4
363.08768	1.4
369.09818	0.7
381.09619	1.6
399.10818	1.0
435.09216	3.9
436.33264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68021	0.9
55.01838	0.9
57.03419	3.1
61.02919	1.4
63.49047	0.8
69.03422	4.3
69.73303	6.2
73.02921	3.2
79.05476	1.5
81.03423	1.7
85.02905	10.1
87.04459	1.2
91.05468	2.1
95.04961	1.9
95.08591	1.3
97.02860	2.1
97.50736	1.2
103.74042	0.9
105.07030	1.9
107.04932	2.1
108.45729	0.9
109.02842	2.6
111.04455	1.8
115.03920	2.6
119.04955	2.0
121.02840	5.8
123.04418	7.9
133.04959	1.7
135.03529	0.9
135.04382	5.4
137.02348	3.6
139.03880	2.0
145.06526	1.0
147.04381	6.5
151.03909	1.2
153.01820	10.6
161.05975	1.6
163.03911	5.7
165.01819	8.7
167.06972	1.2
171.02795	0.9
175.03922	1.8
177.01811	3.4
181.04900	2.7
183.02844	6.7
189.01833	1.9
191.03334	5.5
193.04863	1.4
195.02892	21.4
201.05453	2.4
203.03351	1.2
205.05051	1.8
207.02934	1.2
219.02878	11.7
221.22862	0.9
229.04950	4.6
231.00668	0.8
231.02838	5.2
233.04654	1.0
233.07893	1.7
243.02795	1.5
249.03911	4.0
255.06328	1.1
257.04364	4.4
261.03888	5.4
273.07510	7.9
279.04868	2.1
285.04263	1.8
285.07455	8.4
297.07364	3.5
301.07385	0.9
303.04968	100.0
304.05194	5.5
312.40149	1.0
313.07028	0.9
315.05032	1.2
315.08560	3.2
332.74780	0.9
339.08719	6.3
351.08521	5.0
361.17032	0.9
363.08582	1.4
369.10242	1.2
381.09546	3.2
399.10843	2.2
435.09277	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	435.0917
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
50.23836	0.7
53.18972	0.7
56.96544	0.9
61.02913	1.4
67.05523	0.7
68.99789	0.7
69.03407	0.8
70.06585	0.8
70.25140	3.1
73.02916	11.0
79.05492	0.9
79.49312	0.8
85.02892	1.5
91.05476	0.9
95.04969	0.8
95.08582	0.8
96.15414	0.7
97.11716	0.7
105.89511	0.8
107.04945	1.4
111.00797	0.7
119.04941	1.8
119.08598	1.0
121.02850	10.4
123.04424	1.1
127.03894	1.4
135.04436	1.7
137.02332	1.3
139.16411	0.7
145.06464	1.4
147.04395	4.3
153.01790	3.7
163.03876	4.6
165.01932	0.9
167.07060	1.9
169.01286	2.1
173.05980	1.5
179.03357	0.8
181.04921	2.2
201.05392	2.6
219.06468	0.8
229.04901	2.6
233.08069	2.0
257.04449	6.5
271.05988	3.0
272.06299	2.7
273.06699	4.0
285.03900	7.8
287.05566	3.9
288.05829	3.4
289.06003	6.0
303.04971	100.0
304.05414	2.5
361.02429	0.8
364.32571	0.8
372.62415	0.9
417.15732	1.2
435.10980	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75256	0.2
54.84978	0.2
55.01865	0.4
57.03429	1.1
67.05504	0.4
68.99789	1.6
69.03410	0.4
69.63228	1.2
72.80413	0.2
73.02921	0.4
74.29490	0.2
79.05480	0.5
81.03410	0.5
85.02902	2.2
86.09702	0.4
91.05459	0.6
93.03410	0.5
95.04971	1.0
97.02872	0.6
105.07047	0.2
107.04926	0.6
109.02886	1.0
111.00780	1.7
119.04960	0.7
120.08083	0.3
121.02867	3.0
121.06496	0.3
121.10121	0.3
123.04420	1.1
125.02322	0.2
127.03896	0.4
131.04904	0.3
135.04410	0.5
137.02335	4.2
137.03384	0.3
137.05978	0.3
138.02647	0.2
139.03886	0.3
145.06430	0.3
147.04390	1.5
149.02321	0.5
149.04880	0.2
151.03854	0.2
153.01814	5.9
155.04936	0.3
161.05968	1.8
163.03888	1.4
163.70410	0.2
165.01831	6.1
166.02515	0.5
167.03479	0.3
171.02878	0.4
171.04274	0.2
171.06525	0.4
173.05978	0.5
177.01826	1.7
179.03389	0.3
181.04942	0.6
183.02893	3.8
183.04401	0.3
187.03897	0.7
189.01834	0.6
189.09053	0.5
191.03410	3.0
194.73773	0.2
195.02884	10.6
196.03215	0.3
201.05423	2.6
203.03406	0.3
205.04994	0.7
207.02934	0.5
207.10194	0.7
209.04416	0.2
215.03436	0.5
219.02885	4.3
219.06291	0.3
220.03288	0.2
228.04181	0.4
229.04962	5.9
231.02859	2.6
233.04353	0.5
233.08092	0.3
237.04004	0.3
239.03455	0.2
243.02905	0.7
247.05995	1.0
249.03906	1.1
257.04453	3.6
261.03934	3.0
273.07541	0.6
273.12085	0.5
274.04709	0.8
275.05286	0.3
279.04980	0.8
285.03934	1.7
285.07556	3.3
297.07553	1.4
303.04974	100.0
304.05319	4.4
313.14282	0.3
315.08630	1.2
320.01956	0.2
339.08630	2.8
351.08621	2.3
363.08630	0.7
368.72171	0.2
369.09470	0.3
381.09784	0.7
399.10745	0.8
435.09207	2.0
435.22083	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0921
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.05039	0.1
55.01870	0.2
57.03427	0.5
65.03932	0.5
65.59345	0.1
67.01857	0.2
67.05479	0.2
68.99783	1.0
69.03419	0.3
69.27341	0.4
69.27750	1.2
73.02914	0.6
73.51717	0.1
75.71090	0.1
79.05495	0.2
81.03432	0.3
81.07008	0.2
85.02894	0.6
86.09676	0.3
91.05469	0.5
93.03413	0.3
95.04970	0.5
97.02896	0.2
105.07035	0.4
107.04948	0.2
109.02849	0.4
110.07137	0.2
111.00800	1.1
111.04417	0.2
112.58408	0.1
115.03934	0.3
119.04961	0.4
121.02256	0.1
121.02901	1.3
121.06454	0.2
123.04417	0.5
124.88338	0.1
125.63721	0.1
127.03939	0.4
129.06982	0.2
131.04913	0.2
135.04417	0.2
137.02338	4.1
137.03384	0.2
137.05952	0.9
139.03860	0.1
145.06476	0.3
147.04411	0.5
149.02341	0.5
151.03922	0.2
151.07547	0.6
153.01820	5.4
155.04926	0.3
157.06442	0.2
159.04382	0.2
161.05981	2.8
161.09602	0.7
163.03885	0.9
163.07545	0.3
165.01831	2.7
166.02556	0.4
171.03027	0.2
173.06009	0.6
177.01799	0.5
179.03357	0.3
183.02888	1.4
183.04443	0.3
187.03920	0.6
189.09076	1.3
191.03467	0.7
195.02872	1.8
201.05493	2.1
205.04834	0.3
207.02852	0.3
207.10156	2.0
213.05402	0.1
219.02968	0.8
219.06544	0.3
227.10753	0.2
228.04166	0.3
229.04976	5.7
230.05386	0.1
231.02892	0.7
239.03485	0.2
246.05165	0.2
247.05997	0.9
249.03879	0.3
250.46350	0.2
257.04443	3.2
261.03949	0.5
273.07446	0.2
274.04651	0.8
275.05539	0.3
285.03952	1.6
285.07547	0.7
287.05591	0.2
297.07507	0.3
303.04987	100.0
304.05304	2.3
315.08560	0.3
339.08640	0.6
351.08978	0.3
381.09952	0.2
399.10916	0.3
435.09180	2.1
435.21982	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0917
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
50.30860	0.2
57.03416	0.3
65.03934	0.3
68.99792	0.6
69.72840	0.8
69.73259	0.3
70.99033	0.2
73.02910	0.4
93.03405	0.3
95.04983	0.4
109.02862	0.4
111.00803	0.8
114.27911	0.2
121.02872	0.9
123.04417	0.3
135.04482	0.3
137.02327	3.0
149.02246	0.4
153.01811	4.1
161.05992	0.2
163.03938	0.5
165.01839	1.9
166.02612	0.3
173.05931	0.3
183.03018	0.9
183.04396	0.3
187.03970	0.4
191.01778	0.2
195.02940	0.3
201.05461	1.6
219.02861	0.2
229.04953	4.6
239.03297	0.2
247.06068	0.7
257.04413	2.6
274.04675	0.6
278.74765	0.2
285.03903	1.3
303.04968	100.0
304.05328	1.9
435.09201	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63183	0.4
57.03416	0.4
61.02914	1.2
68.99787	0.6
69.55514	2.8
69.55825	0.3
73.02916	11.4
102.49564	0.4
115.03918	1.2
121.02872	0.6
137.02338	2.3
153.01788	3.1
163.03972	0.6
165.01825	1.4
201.05501	1.5
223.64182	0.4
229.04988	3.5
241.42372	0.4
247.06026	0.9
257.04446	1.9
285.04044	0.7
303.04987	100.0
304.05289	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	435.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.1
53.03941	0.1
54.55948	0.1
55.01859	0.2
55.48929	0.1
57.03404	0.3
61.02893	0.1
65.03922	0.2
67.01868	0.1
67.05493	0.1
68.99793	1.0
69.03413	0.1
69.55676	0.5
71.01323	0.1
73.02918	0.8
79.05470	0.1
80.04534	0.1
81.03391	0.3
85.02879	0.2
93.03404	0.5
95.04948	0.3
95.08607	0.1
97.02869	0.1
105.03426	0.1
105.07023	0.1
107.04947	0.2
109.02852	0.6
111.00802	1.3
111.04452	0.2
115.03916	0.2
115.05396	0.1
117.06980	0.1
121.02861	1.4
123.04475	0.4
127.03874	0.3
129.06937	0.1
131.04915	0.2
133.06461	0.1
135.04396	0.3
137.02339	4.3
137.05893	0.1
141.77084	0.1
145.06456	0.3
147.04401	0.1
149.02356	0.6
150.02998	0.1
153.01828	5.7
155.04906	0.5
157.06529	0.2
159.04399	0.1
161.05998	0.5
163.03914	1.0
163.07452	0.1
165.01846	2.8
166.02573	0.3
167.03456	0.1
167.07037	0.1
171.02980	0.1
173.06004	0.7
177.05573	0.2
179.03358	0.1
180.07809	0.1
181.04889	0.1
183.02873	1.0
183.04436	0.4
185.05978	0.1
187.03908	0.4
189.09026	0.1
191.03378	0.2
191.06975	0.1
195.02837	0.3
201.05473	2.3
205.04915	0.2
207.02879	0.1
209.43523	0.1
211.03883	0.2
213.05466	0.2
215.03329	0.2
218.05624	0.1
219.02888	0.2
219.06544	0.4
228.04201	0.3
229.04953	5.7
230.05339	0.1
231.02849	0.1
232.03741	0.1
233.04309	0.1
233.08128	0.1
237.31953	0.1
239.03487	0.1
246.05421	0.1
247.06052	1.0
257.01749	0.2
257.04440	3.5
258.04968	0.1
274.04703	1.0
275.05457	0.4
285.03970	1.6
285.07040	0.2
286.04633	0.2
303.04987	100.0
304.05331	3.3
435.09256	2.6
436.09720	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	1.0
57.03427	0.7
59.33879	0.6
69.03413	1.3
70.44704	2.4
85.02890	1.7
98.21432	0.7
98.97573	2.0
101.00867	1.0
116.98613	1.0
119.01933	4.8
120.54740	0.6
131.01915	1.0
133.03467	2.7
143.01912	1.9
145.03464	1.0
149.03027	0.6
150.18222	0.6
159.01407	0.8
161.02979	4.3
171.01331	0.8
173.02917	1.2
185.02895	0.7
187.00887	1.7
189.02466	1.8
212.02913	1.9
213.03763	1.7
215.00391	1.2
217.02007	1.8
219.01730	1.0
229.03236	17.3
231.03575	1.3
237.02634	1.3
247.02969	0.9
251.02443	1.8
285.05878	2.5
289.04196	0.7
301.41922	0.7
302.09546	0.8
307.05066	2.4
333.02835	1.0
343.02444	1.1
361.02649	2.0
375.05313	14.6
417.06378	3.2
429.84671	0.7
435.07437	100.0
436.07953	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	435.086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96461	2.2
56.96762	0.9
57.03368	0.6
67.05413	0.7
69.03357	0.8
70.27315	0.5
70.27647	1.3
79.05405	1.0
81.03320	0.5
81.06969	1.0
91.05392	0.6
93.06956	0.5
95.04858	1.0
95.08476	0.9
97.06364	0.4
109.10072	0.7
119.08490	0.6
123.04332	0.7
131.08449	0.5
145.06343	0.4
147.04233	1.7
149.05891	0.5
163.03767	0.6
167.06900	1.2
171.06372	1.3
181.04787	1.9
211.02727	0.7
232.00803	0.4
233.07945	0.8
270.48801	0.5
277.03638	0.5
287.05701	0.6
299.05844	0.6
303.05002	6.6
305.07010	0.5
315.05374	1.7
328.02194	0.5
333.06531	0.9
342.21631	0.5
343.04880	2.2
343.22302	0.5
353.03186	9.8
361.06061	2.1
371.04300	8.5
387.03787	0.7
389.05408	100.0
390.05728	3.4
394.06079	1.4
403.06650	0.5
407.06473	58.2
408.06796	1.9
409.06683	0.6
412.06995	8.4
413.07303	0.8
430.08035	2.5
435.19846	1.1
435.26486	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72152	0.5
69.03419	1.0
71.58861	1.0
83.59204	0.6
85.02898	2.2
97.82758	0.5
107.04920	0.7
117.33492	0.5
119.01936	1.2
127.03906	1.5
153.01823	0.9
169.01144	0.8
207.02682	0.7
211.02179	0.9
212.02975	2.0
213.03639	1.3
225.03734	1.0
229.03201	19.7
229.05362	1.2
235.06528	0.9
251.17805	0.6
285.05847	3.5
292.30176	0.6
302.02557	0.6
313.02011	0.9
337.09872	1.5
343.02780	0.7
345.04318	0.6
375.05380	15.5
403.36020	0.6
417.06195	3.4
435.07474	100.0
436.07883	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	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
53.78094	0.7
55.05501	1.4
57.03437	9.2
59.04999	1.2
69.03429	2.8
69.93842	4.4
70.06595	1.1
71.01353	1.1
71.04989	70.4
72.05336	1.1
73.02917	2.5
75.04464	3.7
77.14001	0.8
81.03416	2.3
83.04974	8.1
85.02901	100.0
86.03217	1.3
87.04460	2.4
91.04897	1.1
91.05473	21.9
92.05821	0.9
97.02882	7.3
98.48999	0.7
99.04449	2.1
103.03937	2.0
105.06990	1.7
107.04967	1.1
109.02888	1.2
111.04427	6.1
113.79319	0.7
115.03902	1.1
117.03394	0.9
121.22836	0.7
123.04397	1.5
127.03909	3.6
129.05472	41.9
130.05760	0.9
133.06526	2.1
137.02264	0.9
137.06007	0.8
145.02853	2.2
145.04967	2.5
145.06442	1.7
146.08009	1.4
146.30688	0.8
147.04576	1.6
147.06506	22.2
153.01836	7.6
161.06015	1.0
163.05988	1.0
164.09203	5.5
171.02979	1.1
175.07576	2.3
177.05473	2.9
188.60254	1.0
231.09192	0.7
241.59839	0.7
244.59259	0.7
253.10756	1.2
255.08611	2.4
271.06052	0.9
272.06564	1.0
297.05984	0.9
303.04980	2.1
309.11807	0.8
315.06958	0.8
333.67731	0.9
434.12030	1.3
452.41055	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03437	19.1
58.26157	0.7
59.05002	4.7
60.04523	1.7
60.51640	0.7
61.02925	3.7
62.02321	0.9
69.03427	68.5
71.04993	1.3
71.43909	1.4
73.02909	4.4
75.04474	2.3
76.53529	0.8
81.03428	3.1
84.87868	0.8
85.02901	77.9
86.09724	0.9
87.04467	49.3
91.03951	2.0
91.05447	0.9
97.02890	60.3
98.91842	0.9
99.04457	3.3
103.03944	1.8
103.05516	1.2
104.96790	0.8
105.07018	7.4
107.04998	0.7
109.02871	3.4
111.04418	1.2
114.08373	0.7
115.03925	91.3
116.04282	1.3
123.04437	1.4
127.03918	14.5
133.04961	100.0
134.05270	0.9
137.02316	2.4
139.03850	0.9
141.05562	1.1
145.04955	31.5
147.08041	2.5
150.07611	13.9
153.01826	2.1
161.06012	1.3
163.06015	15.0
165.01773	1.6
169.05029	2.2
171.08046	1.5
175.06122	0.8
181.04967	1.7
187.06116	1.4
189.09094	2.6
195.02930	1.7
201.09142	2.2
204.56514	0.8
205.07037	1.1
207.10147	1.4
219.02936	1.2
219.10208	1.5
223.05939	1.1
229.05107	1.3
231.10175	0.9
241.07104	2.2
257.04547	1.2
259.08173	3.7
261.04233	0.9
272.59039	0.9
277.09268	2.5
285.07678	1.0
285.13330	2.9
287.05420	2.4
288.05869	5.8
295.10150	3.1
302.15826	1.0
303.04977	36.9
435.09348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
55.30474	0.5
56.05016	1.6
64.38977	0.5
66.75164	0.4
67.05542	0.5
68.99773	1.2
70.73362	1.0
70.73704	1.0
74.06078	16.9
77.03951	1.0
81.15556	0.5
89.03916	0.8
91.05448	0.8
95.04954	1.0
98.06043	1.2
102.05537	3.0
105.03386	1.6
107.04967	0.8
111.00794	2.8
116.07092	5.9
117.03339	1.5
118.05306	0.5
119.04919	0.8
120.06577	13.9
120.07426	0.8
123.04423	100.0
124.04739	1.6
127.03895	0.9
133.02844	0.5
135.04427	3.3
139.03900	15.6
144.06538	4.3
145.02831	2.5
145.06554	0.6
147.04402	9.3
149.06007	0.6
151.03915	1.9
153.05469	0.5
161.06015	0.9
162.07632	10.7
162.08937	0.6
163.03870	1.9
163.07550	1.6
165.05429	1.2
169.96819	0.5
177.05505	3.1
189.05508	1.8
199.07639	0.9
201.05486	1.3
231.06570	0.6
236.09137	0.8
254.10260	0.6
254.25247	0.6
255.06526	1.3
273.07562	32.5
274.07916	1.5
296.11298	2.3
303.04886	2.7
325.10632	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21191	4.3
55.05500	12.4
60.37131	4.2
67.05502	32.6
68.22319	4.3
69.07043	7.8
69.55177	8.9
69.55507	38.3
72.08148	10.7
75.36568	5.6
79.04782	4.2
79.05482	20.8
81.07061	40.7
83.08603	10.0
91.05460	29.3
93.07037	17.1
95.08614	31.9
95.95399	4.4
97.02876	5.9
97.10155	6.1
98.20799	10.4
105.07020	20.7
107.04942	7.2
107.08570	16.6
109.06483	9.7
109.10141	16.8
110.97017	4.1
111.52670	4.4
119.04922	21.3
119.08592	10.0
121.02864	9.5
121.06501	4.1
121.10111	8.0
123.11732	9.7
131.04796	5.2
131.08589	8.8
133.10129	13.7
135.11662	10.1
143.08492	9.7
145.10147	10.7
147.04408	100.0
149.13187	5.4
157.10156	4.6
165.05463	24.8
173.13211	4.2
215.17937	9.7
251.20041	8.5
287.05441	16.6
313.14450	15.0
323.19034	4.9
323.23544	5.7
341.24637	6.1
415.29645	5.1
433.30197	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	433.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.01865	10.1
55.05507	30.2
57.03432	7.9
63.67411	1.3
65.03921	1.8
65.31628	1.5
67.05503	37.7
69.03411	5.7
69.07058	13.5
71.05003	7.1
77.03907	1.5
79.05488	45.5
81.03411	10.0
81.07051	37.6
83.04964	5.4
83.08608	13.9
85.02908	5.8
85.06547	2.7
91.05473	41.0
92.12179	1.6
93.07034	34.0
95.04963	34.9
95.08595	17.5
97.02927	1.9
97.06506	5.8
97.10165	22.0
98.20744	3.0
103.05453	5.4
105.03374	3.0
105.07020	31.9
107.04949	18.5
107.08585	23.7
107.74763	1.3
109.02895	1.8
109.06493	5.9
109.10161	10.7
111.04392	2.4
111.08067	2.8
115.05440	4.2
117.07001	17.6
119.04927	4.5
119.08582	17.6
121.06499	17.9
121.10130	15.6
123.04414	3.3
123.08060	6.2
123.11713	1.7
125.09631	15.2
128.06218	6.4
128.57893	1.6
129.05466	5.4
129.06995	23.7
130.07785	1.9
131.04936	13.4
131.08560	26.3
133.06477	8.0
133.10103	8.7
135.04384	1.9
135.08047	11.0
135.09753	1.4
135.11659	3.5
137.05969	4.8
137.09576	2.5
140.69461	1.4
141.06970	10.7
142.07761	2.4
143.08566	16.7
145.02908	2.3
145.06480	22.5
145.10100	13.8
147.04433	2.2
147.08018	8.6
147.11661	4.7
149.09601	23.2
153.07002	3.1
153.09099	3.2
154.07794	2.6
155.08517	6.6
157.06436	4.1
157.10106	7.2
159.08055	7.5
159.11682	11.0
161.05952	3.4
161.09637	4.1
161.13268	3.5
163.11223	3.2
167.07123	1.7
167.08505	3.5
169.06380	1.9
169.10104	13.5
171.08023	4.4
171.11662	17.4
173.09647	7.2
173.11671	1.5
173.13126	2.0
175.11174	3.2
177.05418	3.0
177.12791	1.8
179.08624	2.1
181.10100	3.8
183.08051	3.0
183.11674	6.8
185.09637	4.4
185.13327	2.6
187.11182	10.2
189.09254	2.2
189.11176	9.5
189.12749	14.4
193.10226	2.9
193.12039	2.4
195.11688	4.4
197.09615	5.5
197.13211	3.4
199.11183	4.8
201.12784	2.2
203.10617	2.3
203.14340	2.0
205.10463	1.8
205.12129	7.7
207.11766	3.3
211.11140	6.4
213.12737	3.2
215.10632	3.1
221.13432	2.5
223.13300	5.3
225.12848	3.8
227.12645	2.9
229.12221	5.7
231.13918	2.2
239.14363	1.9
243.13786	4.8
257.15366	3.7
267.15979	4.4
272.35782	1.4
273.14856	3.6
275.16190	1.8
277.19455	1.6
281.15790	1.7
287.05499	20.2
288.05902	1.7
289.03427	4.8
295.20508	3.1
301.07153	2.2
305.19025	3.6
313.21603	6.1
321.16754	2.5
323.20084	23.3
335.18396	2.6
341.21094	100.0
342.21567	1.8
359.22098	7.7
377.22864	1.9
379.22455	2.6
389.22772	2.2
397.23621	3.9
415.10239	6.9
415.24756	36.0
433.10837	10.9
433.25787	65.9
433.31476	3.4
434.25870	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.7
53.84452	1.0
55.01868	9.0
55.05263	2.0
55.05508	28.6
56.72636	1.1
57.03435	9.5
59.04984	1.1
65.03934	2.7
67.05500	38.6
69.03403	3.4
69.07064	10.9
70.41666	2.7
71.04973	3.2
75.04480	1.1
77.03913	2.2
78.78562	1.4
79.05486	47.3
81.03410	8.4
81.06574	1.6
81.07053	29.3
83.04989	5.8
83.08617	15.4
85.02896	3.2
85.06528	2.2
91.05473	36.0
93.07040	32.5
93.07621	2.2
95.04963	32.2
95.08603	15.7
97.02879	1.2
97.06515	4.1
97.10159	20.9
97.66997	1.0
99.07999	1.5
103.05456	3.4
105.03409	1.9
105.04519	1.5
105.07024	32.1
107.04937	14.4
107.08599	20.0
109.02877	1.4
109.06518	6.0
109.10158	8.1
111.08092	2.7
115.05458	4.3
116.06252	1.5
117.07005	20.9
119.04935	4.5
119.08592	13.9
121.02806	1.5
121.06496	19.9
121.10133	15.7
123.08093	6.5
125.09627	20.1
128.06190	5.0
129.05457	3.5
129.06995	24.6
131.04913	14.3
131.08553	27.7
131.09506	1.8
133.06461	8.6
133.10126	7.3
135.04388	2.0
135.08029	8.9
135.11668	2.1
137.05992	2.0
137.09595	1.7
139.40797	1.2
141.06993	8.9
142.07753	2.6
143.08539	17.3
145.06471	18.4
145.10115	13.6
146.57294	1.0
147.04367	2.2
147.08031	10.2
147.11665	4.1
149.06073	1.2
149.09608	21.5
153.06960	2.7
153.09082	1.7
154.07803	1.3
155.08530	8.2
155.51601	1.2
157.06476	4.4
157.10114	7.3
159.08064	10.6
159.11684	9.2
161.09612	4.6
161.13271	2.4
163.11177	4.2
165.06969	2.0
167.08568	4.3
168.09349	1.4
169.10124	11.6
171.08046	4.0
171.10204	2.3
171.11641	16.9
173.09579	7.4
175.11186	3.6
177.12785	2.5
179.08531	1.8
181.06618	1.6
181.10114	5.0
183.07939	2.0
183.11676	5.0
185.09615	3.4
185.13242	3.8
187.11122	9.5
189.09145	3.7
189.11180	11.5
189.12776	11.3
190.77010	1.1
191.10599	1.1
193.10016	2.0
193.12209	2.0
195.11714	4.2
197.09579	4.1
197.11530	1.7
197.13269	3.0
199.11191	4.2
199.14809	1.2
201.12732	4.0
203.10652	2.4
203.14429	1.8
205.12273	6.2
207.11665	1.9
209.09647	2.5
209.13316	1.5
211.11206	6.5
211.14699	1.4
212.12030	1.2
213.12700	3.7
215.10718	3.1
215.14357	1.6
223.11267	2.2
223.13322	5.0
225.12733	3.9
227.10724	1.6
227.12729	3.9
227.14572	1.4
229.12250	6.2
231.13831	2.9
239.14291	2.5
243.13808	5.0
247.13110	1.6
249.15158	2.2
257.15414	4.4
267.16028	4.6
273.14828	3.2
279.15887	1.4
287.05591	4.4
295.20682	2.1
299.19958	1.6
301.07230	1.1
305.18933	1.6
313.21570	6.7
321.17001	1.6
323.20044	23.1
335.18561	1.8
341.21075	100.0
359.21960	7.1
377.23215	1.9
389.23306	1.4
397.23828	3.4
415.24741	36.0
433.25821	65.2
458.63782	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	2.1
53.03953	4.7
55.01861	7.4
55.05511	29.6
56.35918	2.2
56.96569	2.7
57.03437	28.9
61.02640	3.9
61.02929	56.0
63.56972	1.9
65.03940	2.9
67.05504	35.8
69.03427	26.3
69.07070	18.9
69.94154	3.0
69.94555	6.7
71.01355	4.0
71.04991	27.8
73.02921	26.1
75.04468	3.3
79.05492	32.2
81.03435	17.7
81.06582	3.6
81.07058	65.2
82.68703	1.8
83.01363	2.9
83.04976	8.1
83.08611	17.3
85.02902	75.0
85.06530	8.3
87.04468	5.4
91.03954	33.8
91.05473	28.0
93.07055	20.5
95.04972	14.0
95.08606	72.6
97.02888	41.5
97.06532	18.1
97.10162	7.3
99.04476	7.9
99.08087	5.1
101.02389	7.8
103.03954	7.2
105.07024	24.7
107.04965	7.7
107.08582	15.5
109.02864	11.5
109.06526	4.6
109.10150	9.3
111.04462	3.6
111.08089	4.3
115.03937	4.0
117.03384	2.9
117.07039	6.9
119.04940	2.3
119.08564	22.8
121.02908	4.1
121.06506	5.1
121.10155	12.4
123.04431	6.6
123.08070	7.0
125.09638	3.1
127.03914	22.5
129.05504	11.6
129.06999	5.8
131.04924	7.2
131.08568	6.1
133.06516	4.4
133.10155	19.7
135.08066	4.8
135.11652	10.4
137.06001	12.3
137.09595	3.8
137.13243	7.8
139.03894	3.5
143.08603	4.0
145.02847	6.3
145.04967	7.0
145.06511	6.3
145.10123	4.4
147.04402	8.2
147.06590	3.0
147.08008	3.3
149.06052	4.1
149.09625	6.3
153.01819	16.8
157.10097	3.6
159.06529	2.3
159.08086	2.4
159.11658	3.3
161.05986	7.0
161.13251	44.1
162.13466	2.0
165.01874	3.1
167.07047	6.6
167.08505	2.1
171.06445	2.3
171.07997	2.3
171.11664	3.3
177.05505	16.7
179.03464	2.8
179.14305	32.4
181.04913	18.8
183.06520	4.3
183.11722	2.7
185.13208	2.5
187.11122	4.2
189.05486	3.3
189.12796	4.1
193.08575	5.4
197.15331	2.3
201.07614	3.5
211.11092	3.2
221.08069	4.5
226.98790	3.3
249.07693	3.1
253.15771	2.0
253.17918	12.4
267.15903	2.5
271.05981	2.4
271.19031	59.6
287.05490	100.0
288.05942	11.8
289.03510	3.6
289.06128	9.9
290.03650	2.0
301.03979	3.0
301.07062	12.6
319.04364	2.4
323.19977	5.9
329.02921	3.0
341.21112	20.8
371.07727	2.7
403.13712	10.4
415.10156	17.6
415.24606	8.3
433.11401	22.7
433.16962	3.0
433.19284	2.6
433.25345	23.7
434.11923	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	433.2348
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03933	3.9
55.01884	2.8
55.05502	12.0
55.12575	2.8
57.03427	11.3
57.07071	6.5
65.03953	3.1
65.13799	2.7
67.05503	63.0
69.07056	11.7
72.08138	6.9
79.05496	39.0
81.07057	70.3
83.08601	9.9
84.58156	3.4
85.06509	3.8
91.05474	22.9
93.07040	50.7
95.04982	6.4
95.08609	47.1
97.10160	4.2
98.98462	94.0
105.07040	21.7
107.08585	30.5
109.06518	3.8
109.10146	24.0
117.07001	8.3
119.08578	15.9
121.10142	22.1
123.11696	11.7
131.08589	17.9
133.10101	14.4
135.11691	22.3
137.13185	4.5
145.10081	15.8
147.11684	6.7
149.13237	17.6
155.01018	12.2
159.11694	14.5
161.13229	8.9
163.14793	8.5
173.02097	16.1
173.13242	9.2
175.14812	5.1
187.14891	4.2
229.29703	3.5
243.21126	19.3
261.22134	54.6
287.05362	8.8
309.05927	3.3
317.24750	10.2
335.22009	5.8
335.25800	100.0
360.39767	3.3
415.22223	3.6
433.29614	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	433.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.9
55.01867	2.8
55.05510	19.9
57.03442	9.3
57.07067	1.9
58.08334	1.4
60.77435	1.2
61.02918	2.5
67.05511	2.8
69.03065	2.6
69.03424	28.9
69.07034	1.3
70.06584	2.1
71.04992	11.3
71.08642	2.3
71.59442	2.2
72.08152	2.4
79.05484	10.7
81.03415	42.0
81.07054	48.5
83.01386	1.6
83.04977	21.2
83.08601	4.0
85.02901	36.1
85.06558	3.0
86.09703	2.2
87.04461	1.4
91.05497	6.6
93.07041	3.4
95.04965	3.3
97.02897	22.8
97.06525	2.4
99.04452	42.1
99.05099	2.6
99.08089	18.3
101.02392	1.9
101.05949	1.4
103.03930	7.3
105.07011	1.9
107.04964	2.9
109.02872	46.9
109.06512	29.6
111.04469	2.5
117.09124	15.5
121.06493	2.4
123.04449	3.8
125.02365	2.0
127.03915	100.0
127.07545	55.4
129.09142	2.0
133.06427	1.3
135.04541	1.2
137.02344	29.8
137.03403	3.3
137.05977	4.2
139.03877	2.1
145.04961	11.1
145.06589	1.8
145.08589	5.5
147.04424	2.1
149.06042	3.7
151.03922	1.9
153.01791	1.8
157.08592	19.4
161.05980	2.7
163.03847	2.5
163.07483	1.4
173.08093	57.6
185.08070	2.1
189.27975	1.4
191.07074	2.8
195.10155	4.0
199.07870	1.4
207.10193	2.9
209.08095	3.4
225.11243	9.2
227.09128	5.0
243.12300	8.6
253.07118	6.0
253.10713	4.3
261.13333	3.9
271.05667	2.7
271.08145	6.4
271.11389	1.8
287.05530	5.2
299.09259	2.2
327.08621	4.2
331.13861	8.0
345.09616	1.6
349.31512	1.4
351.14297	2.9
369.15375	4.6
371.16907	6.2
389.12350	11.4
397.09085	2.1
415.10104	4.7
415.15948	5.8
433.06113	1.8
433.11215	19.1
433.16302	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	1.2
71.33021	0.7
72.08139	0.5
81.03389	1.2
81.06602	0.5
81.07070	0.4
85.02884	3.3
86.09696	1.1
97.02866	1.6
97.46551	0.4
99.04438	1.6
103.03938	1.6
106.59048	0.4
109.02875	1.3
116.98670	0.4
121.02885	1.0
123.16094	0.4
127.03905	30.7
128.04231	0.6
145.04930	0.9
151.55695	0.4
153.01805	1.3
163.03838	0.4
187.06033	0.4
205.04758	1.0
271.06000	1.2
271.11469	6.0
287.05524	1.6
369.11191	0.7
377.14343	0.5
401.14059	0.8
403.14038	0.5
433.16794	100.0
434.16946	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1337
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03933	1.4
55.01856	0.4
57.03434	0.5
58.55008	0.3
59.40089	0.3
61.02922	0.5
66.92203	0.3
67.90603	0.3
69.03420	2.4
70.60497	1.1
73.02913	0.6
81.03423	2.2
85.02896	6.2
85.03368	0.6
87.35177	0.3
97.02882	3.6
99.04456	4.2
100.13778	0.4
103.03938	4.3
109.02882	2.6
127.03909	100.0
128.04277	0.6
137.02283	0.4
142.36780	0.4
145.04950	3.7
158.99214	0.3
163.05997	0.9
187.06029	0.9
204.67413	0.3
271.08200	0.5
287.05530	0.5
365.85074	0.3
376.84769	0.4
433.11414	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.149
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.05467	1.1
57.03428	0.5
64.12734	0.5
67.05503	3.8
69.03387	0.5
69.07032	1.2
70.95110	0.5
71.04937	0.6
71.41933	1.0
79.05495	3.8
81.03410	0.6
81.07047	4.2
83.04977	0.5
83.08610	0.8
85.02885	0.6
91.05482	3.3
93.07050	2.4
95.04936	1.1
95.08577	2.7
97.10138	0.6
105.06965	2.2
107.08546	1.1
109.06452	1.0
109.10143	0.7
117.06971	1.0
119.08525	2.2
121.02749	0.6
121.10066	1.1
127.03860	1.0
129.06924	1.1
129.79517	0.5
130.23672	0.5
131.08571	2.7
133.10069	1.1
135.04366	0.5
137.05943	0.7
145.10052	2.1
147.04297	0.5
147.11635	0.7
149.09557	0.5
151.07469	1.0
157.10107	1.0
159.11678	0.8
165.05464	7.6
165.06712	1.0
171.11604	0.9
173.09535	0.6
175.14821	0.5
177.05370	1.0
178.06209	1.2
183.02881	4.0
183.11583	0.7
185.13232	0.6
189.89540	0.6
191.07010	0.6
197.13106	0.7
205.08525	0.6
211.02342	1.3
229.03180	1.1
231.06531	0.5
233.08040	1.1
243.17621	0.6
261.07559	0.7
271.05963	1.5
273.07449	1.1
281.04391	0.5
283.05807	1.0
285.07446	1.0
287.05426	2.1
288.06146	0.6
289.07092	2.7
299.05356	2.9
302.04037	0.9
311.05511	2.6
314.04358	0.9
314.07660	1.2
317.06573	4.0
323.23593	0.7
327.04907	3.6
329.06461	2.2
329.09848	0.7
330.03622	0.7
331.08176	1.6
339.04971	2.4
341.02731	1.1
341.06375	1.3
341.21106	0.7
341.24835	1.6
342.07239	2.5
343.07974	0.9
345.06006	9.5
347.11166	0.6
354.07230	1.5
355.04453	1.5
357.06012	2.3
357.09723	2.3
359.07620	2.3
359.25754	1.2
360.08377	3.6
369.05981	1.1
370.06622	1.9
371.07373	1.0
371.11392	0.7
373.05499	4.5
375.10678	2.1
384.08435	0.6
385.09195	7.2
386.09409	0.7
387.06906	3.7
387.11087	0.6
388.07892	5.3
399.10623	1.4
403.10223	78.1
404.10730	3.7
405.73431	0.6
415.28351	1.5
417.11813	4.3
418.12613	11.1
433.14938	100.0
433.30264	3.5
434.15240	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	433.1124
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
69.52210	2.2
81.03383	0.3
96.62344	0.2
110.87529	0.3
121.02856	0.4
137.02341	1.8
139.79239	0.2
147.04446	0.4
149.02321	0.4
157.06522	0.3
185.06006	0.5
189.05426	0.3
213.05464	2.1
231.06508	0.7
241.04970	0.8
259.05902	0.4
269.04382	0.3
287.05475	100.0
288.05835	3.4
433.10785	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Kaempferol-7-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
51.02372	0.1
68.58262	0.1
68.99798	0.6
70.66882	0.4
71.04988	0.2
79.05473	0.2
79.31518	0.1
81.20852	0.1
83.67684	0.1
85.02898	0.2
104.83507	0.1
105.03383	0.2
107.04948	0.3
109.02859	0.3
111.00790	0.6
121.02854	2.9
127.03886	0.1
133.02838	0.5
135.04419	0.3
137.02350	1.0
145.06502	0.2
147.04366	0.4
151.03938	0.1
153.01814	4.1
157.06429	0.5
159.90494	0.1
161.05986	0.2
165.01834	1.9
169.21162	0.1
171.04443	0.2
183.02881	1.0
183.04349	0.2
185.05867	0.5
189.05432	0.2
197.06017	0.2
203.06993	0.1
212.51999	0.1
213.05444	1.5
231.06555	0.7
241.04912	0.9
258.05194	1.3
259.06000	0.4
269.04510	0.1
287.05463	100.0
288.05777	1.8
303.47018	0.1
433.11197	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	433.1127
Annotation	Kaempferide 3-alpha-L-arabinopyranoside
Peak:m/z	Relative Intensity
53.39176	0.3
55.63902	0.3
57.03416	0.8
61.02914	1.5
67.15636	0.3
69.03403	0.5
69.36295	1.7
69.36726	1.6
73.02914	13.7
85.02902	0.6
85.38405	0.4
89.03899	0.8
91.60064	0.4
107.04917	0.4
115.03905	0.8
117.03350	2.2
121.02885	2.8
125.02354	0.4
131.67818	0.3
133.02910	0.5
145.02831	6.7
147.04405	0.6
149.05943	0.6
151.03879	0.5
161.05920	0.6
167.03412	4.2
177.05464	14.0
179.03378	2.7
199.07675	0.5
227.07072	1.3
245.08023	0.6
255.06433	0.7
272.06671	1.0
273.07455	0.9
287.05524	2.3
299.05420	0.7
301.07047	100.0
302.07339	3.3
401.13980	0.4
433.10999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94164	0.2
65.03942	0.2
67.05457	0.2
68.99795	0.2
69.64867	0.2
70.15811	0.8
76.39713	0.2
77.28825	0.2
79.05485	0.3
83.01329	0.7
85.02895	0.3
92.44598	0.2
92.67431	0.2
95.04930	0.4
98.21515	0.2
105.03388	0.6
107.04923	0.4
111.04475	0.2
121.01991	0.2
121.02863	4.1
122.78657	0.2
123.04410	0.5
125.02367	0.4
133.02867	0.8
147.04393	0.5
151.03903	0.7
155.36157	0.2
157.06424	0.2
161.06024	0.2
167.03394	5.8
171.08044	0.5
179.03380	2.8
181.06377	0.2
185.05995	0.2
189.05690	0.2
197.04556	0.9
199.07530	0.7
208.03639	0.3
227.07001	1.8
243.06390	0.2
245.08047	0.6
255.06517	1.2
271.05795	0.2
272.06873	1.4
273.07495	0.5
283.06146	0.3
287.05606	1.1
299.05600	0.9
301.07050	100.0
302.07416	2.7
433.11270	5.4
434.11493	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1125
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.79913	1.5
57.03431	3.4
57.78839	1.8
70.07832	6.0
71.04988	22.4
85.02906	25.3
113.40530	1.7
121.02869	3.1
129.05452	6.6
153.01897	3.7
168.22862	1.7
241.62083	2.0
252.97815	2.3
286.51804	1.7
287.05493	100.0
288.05722	3.2
299.05478	3.5
329.06558	2.9
347.75192	1.6
387.55466	1.6
397.09210	2.4
401.96490	1.8
435.38751	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	432.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43333	6.7
56.96552	6.6
69.03427	16.2
69.99735	17.1
70.00153	27.7
70.06606	8.2
71.04987	10.3
72.08127	8.0
79.05486	8.3
80.02081	6.8
81.03403	10.7
85.02901	37.6
85.06551	29.4
85.29961	7.1
89.24612	6.5
91.05486	23.6
93.07065	11.3
95.04953	7.9
97.02887	17.8
105.07043	12.3
107.08632	12.7
109.02868	7.8
110.09579	8.3
111.04429	8.2
111.08099	7.9
114.63352	7.2
119.04977	14.5
123.04421	21.2
131.08557	22.4
135.04370	7.8
137.02341	51.3
139.03876	34.8
140.04358	7.0
147.04405	14.2
149.09625	20.1
151.03864	10.9
163.03954	15.0
177.05490	8.5
191.10751	20.3
193.08621	9.6
209.11734	24.4
211.79755	6.9
227.12787	37.5
231.45746	8.2
252.15733	10.1
261.69757	7.7
270.13916	7.4
270.17004	39.4
271.06003	100.0
389.12384	14.6
432.22186	30.6
433.11469	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	432.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
57.03432	19.1
59.04996	2.9
59.39475	1.8
60.04482	2.8
61.02935	2.8
68.99786	2.5
69.03077	2.7
69.03429	48.1
69.40967	1.7
69.48183	18.2
71.01350	2.8
73.02907	16.9
75.04477	2.0
81.03403	3.4
83.60644	1.9
85.02904	38.9
87.04467	32.2
89.09068	2.2
91.05438	2.5
93.07058	2.8
97.02890	45.8
98.20765	4.4
103.03987	1.9
105.07030	3.0
107.04913	2.2
115.03153	3.5
115.03928	54.4
119.04962	2.5
121.02868	2.6
121.06500	19.3
127.03904	6.3
133.04953	52.8
133.06488	3.3
139.03914	3.0
145.04964	3.9
145.06439	2.7
147.04373	2.8
150.07608	8.6
151.03915	2.2
153.01816	9.1
163.07481	2.6
182.76178	1.8
183.02769	2.1
187.06068	2.2
271.06012	100.0
285.12701	2.6
287.05420	20.6
288.05862	13.6
301.03510	2.6
301.06979	3.7
303.04959	8.9
377.01761	2.4
415.10220	2.1
432.10825	3.2
432.17163	14.6
432.22656	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	431.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04712	1.7
53.03931	7.4
55.01864	5.5
55.05510	14.1
57.03434	24.3
57.07066	3.5
60.53269	2.0
61.02924	57.0
65.03916	3.5
66.55527	2.0
67.05500	71.6
68.05805	2.2
69.03418	23.5
69.07063	28.3
69.41013	1.7
69.68960	13.3
71.01335	5.0
71.04978	7.5
73.02913	32.4
75.04439	2.0
79.05488	36.6
81.03417	25.1
81.07052	100.0
83.01325	2.1
83.04969	12.0
83.08614	12.7
84.33178	1.8
85.02898	62.5
85.06529	4.6
91.03947	29.8
91.05467	24.0
93.07042	67.4
94.07411	2.6
95.04979	11.1
95.08599	23.7
97.02885	47.3
97.06537	13.6
99.04457	12.3
99.08085	7.0
101.02374	13.5
103.03919	6.0
105.07022	8.0
107.04913	2.9
107.08588	38.1
109.02864	16.2
109.06499	5.7
109.10112	4.3
111.04420	3.3
111.08060	12.4
113.06008	2.4
113.09604	2.5
115.03902	4.5
116.98563	2.0
117.07018	10.2
119.08575	4.6
121.02866	8.0
121.06544	3.0
121.10138	22.4
123.11708	2.6
127.03915	26.8
129.05457	3.2
131.04996	1.8
131.08568	8.6
133.10098	13.2
135.04422	2.0
135.11693	12.9
139.11171	1.9
145.04967	7.3
147.11679	2.8
149.13254	77.0
150.13643	2.1
151.11154	2.8
153.01823	2.9
157.04852	2.3
157.41640	1.8
159.11690	31.7
167.14326	2.0
177.12718	19.0
183.06519	7.4
195.13803	43.9
201.07588	5.3
213.14877	6.4
216.62811	1.9
269.08157	3.0
269.17468	90.0
270.17831	2.6
285.07361	2.9
287.05502	37.0
288.05884	4.9
297.17111	3.8
311.18439	5.8
339.18225	1.9
413.21588	6.1
431.13849	2.7
431.22574	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	431.0973
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
55.01848	0.7
56.96555	1.4
57.03426	1.0
61.02930	2.9
67.05486	1.0
68.99784	2.2
69.03421	1.1
69.07058	0.9
71.42989	1.3
73.02904	0.7
73.07030	0.7
79.05501	1.5
81.03396	1.3
81.07046	2.3
83.04948	1.2
85.02903	1.4
87.04430	0.6
91.05480	1.6
93.07004	0.7
97.02890	1.4
97.06525	0.6
103.05434	0.8
105.03360	0.8
107.08608	0.7
109.02877	1.6
111.00822	0.8
115.05449	1.0
119.08511	0.5
131.04912	2.1
133.02936	0.6
137.02293	0.9
145.02827	1.1
145.06479	0.9
147.04410	1.8
153.01831	12.3
157.06490	0.8
159.04417	3.0
165.01813	1.8
169.06531	1.1
171.04417	1.5
173.02339	0.8
173.05948	0.6
175.03847	0.8
177.12682	0.6
185.05960	1.8
187.03902	5.7
191.03343	1.5
195.04382	0.8
197.05995	2.0
199.03867	1.9
205.06407	0.9
207.02896	1.0
209.06056	1.0
211.03931	1.1
213.05499	2.0
214.06302	0.7
215.03400	1.1
215.07024	1.1
223.03929	1.1
225.05389	0.7
229.04831	1.3
233.06010	0.7
237.05457	1.8
239.03386	1.7
241.04930	1.7
242.05638	1.9
243.06601	1.5
247.48283	0.6
252.04076	1.0
253.04971	5.7
254.05620	0.7
255.06549	0.8
257.04446	7.9
267.09109	1.3
269.04483	7.4
269.07834	1.3
269.17184	0.6
270.05188	2.4
271.05887	1.6
273.03912	5.6
279.06482	1.4
280.03796	1.0
281.04480	6.5
282.05197	0.9
285.03937	6.8
285.10190	2.5
287.05463	2.3
295.05716	0.7
297.03925	32.5
298.04611	5.5
299.05533	2.4
301.03467	3.2
302.04037	2.0
303.05066	2.0
306.05362	0.7
307.05984	2.2
309.03879	6.5
310.04800	0.9
311.05414	1.6
313.03394	8.2
321.07449	1.0
323.05490	1.0
324.61627	1.1
325.03427	1.5
325.07101	6.4
327.04977	100.0
328.05194	4.1
331.05939	6.1
334.04929	0.8
335.05490	6.7
337.03384	7.2
339.04993	1.0
349.07147	1.9
351.04956	3.0
353.06589	9.1
354.07059	0.8
359.05487	1.8
369.05914	4.8
377.06534	49.4
378.06818	2.6
395.07565	21.6
396.07974	1.2
399.10715	8.7
401.17230	0.7
405.75339	0.6
413.08508	2.5
431.09113	4.3
431.14346	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	430.9257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	10.6
67.08485	0.6
69.31610	5.8
71.95255	2.1
98.97581	62.5
116.98617	61.4
117.42752	0.6
130.93347	0.6
134.99652	38.5
140.00200	4.4
153.00708	5.5
158.01244	4.2
158.71098	0.6
168.77916	0.5
172.94348	2.0
190.95366	4.6
208.96463	2.6
214.95299	1.3
232.96437	6.5
250.97408	4.8
256.96408	13.6
274.97488	100.0
275.97787	1.5
290.94684	1.3
292.98541	78.8
293.98767	1.3
297.99106	12.6
310.99637	1.0
316.00150	7.2
339.01413	0.5
377.75208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16827	0.1
59.92617	0.1
65.03919	0.1
68.99776	0.7
69.46267	0.6
69.46697	0.3
73.02892	0.3
73.54225	0.1
78.62334	0.1
79.05478	0.1
85.02874	0.2
86.21710	0.1
103.05427	0.1
105.03381	0.5
107.04897	0.4
109.02849	0.3
111.00814	1.1
111.04382	0.2
115.05427	0.1
121.02863	3.7
121.03749	0.1
129.06970	0.2
132.11494	0.1
133.02853	0.7
137.02344	1.0
141.06955	0.2
145.06458	0.3
147.04410	0.8
153.01817	6.2
157.06476	0.7
161.05962	0.3
165.00529	0.2
165.01833	2.6
169.06573	0.1
171.04373	0.3
175.03865	0.1
183.02892	1.1
185.05934	0.8
189.05435	0.2
197.05995	0.3
199.03874	0.1
203.03383	0.1
203.07095	0.2
213.05438	1.9
216.04193	0.1
217.04941	0.1
229.05086	0.1
231.06453	0.8
241.04874	1.0
243.06413	0.2
258.05249	1.6
259.06012	0.7
269.04407	0.5
270.04922	0.1
270.55673	0.1
281.04538	0.2
287.05475	100.0
288.05817	3.2
295.05948	0.3
297.03925	0.2
323.05231	0.2
327.04990	4.7
328.05194	0.1
351.05045	0.4
369.06039	0.3
413.08231	0.2
431.09723	14.4
432.10129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.4
55.01858	7.3
55.05511	6.6
56.05027	4.8
57.03424	5.6
57.28218	2.5
58.06363	2.3
58.06595	22.3
61.02911	9.6
67.05495	9.0
69.03422	36.1
69.07058	11.3
70.06590	14.2
71.04977	9.5
73.02901	5.7
74.06062	5.8
79.05487	12.2
79.81494	2.5
80.05018	3.9
81.03409	26.2
81.07047	12.4
82.06553	3.7
83.01337	3.6
83.04976	12.5
83.08600	3.9
84.04497	8.5
85.02897	56.5
86.09687	7.1
87.04469	7.4
91.05475	10.1
91.38889	2.7
93.07030	17.9
94.06560	3.7
95.04942	9.9
95.08595	17.4
96.04485	5.6
96.08116	3.3
97.02879	29.8
97.06516	5.1
98.06071	5.0
98.97547	4.5
99.04478	7.1
99.08087	8.0
105.07020	30.3
107.08576	39.7
108.08102	5.0
109.02885	8.0
109.06502	8.6
109.10141	12.5
110.06061	9.9
111.04433	5.8
111.08080	4.9
113.02374	3.1
114.05509	4.7
114.08022	2.6
116.98601	2.7
117.07030	6.2
119.04920	3.1
119.08586	21.0
120.08089	3.0
121.02905	6.5
121.06468	9.7
121.10117	27.0
122.06036	4.8
122.09588	3.9
123.04414	4.4
123.08050	22.7
123.11691	3.0
125.09671	3.8
126.05504	10.3
127.03917	9.7
131.08569	12.6
131.09406	2.5
133.06485	6.1
133.10100	25.2
135.08044	60.4
135.11681	8.6
137.06009	4.6
137.09584	8.6
140.07040	16.5
145.04930	7.3
145.10081	15.0
147.04317	3.3
147.08040	5.1
147.11668	14.3
148.11200	10.0
149.09619	33.9
149.13228	6.4
150.09094	4.9
151.07530	5.2
151.11238	4.0
153.01852	4.1
153.09062	6.1
156.09299	4.5
159.08119	2.9
159.11690	7.0
161.09605	2.8
161.13249	13.5
163.11209	5.8
163.14819	5.1
165.09111	5.7
166.12306	5.9
171.11678	5.0
173.13297	12.8
174.07607	3.5
175.11192	5.3
176.10690	11.0
177.00739	5.0
177.09073	6.0
177.12715	31.0
179.14281	8.3
182.71524	2.7
186.07603	14.4
188.14218	3.7
189.12749	21.0
189.15105	3.9
190.16035	3.8
191.14316	31.4
192.13734	5.1
193.12268	4.0
194.11749	5.1
195.13806	17.7
202.15800	3.1
203.14330	3.7
204.08659	29.7
206.10292	4.5
206.15436	8.1
207.13791	46.1
209.15364	29.1
215.14441	3.7
220.16975	17.9
221.15111	3.2
222.18689	4.1
224.16429	7.1
225.14868	8.3
232.16917	24.2
233.15352	12.7
234.99013	3.0
237.02615	4.0
250.18011	91.9
251.16315	16.6
251.18622	3.1
268.19052	100.0
269.19278	4.4
287.05463	79.9
302.12213	3.4
342.00128	2.8
412.23462	18.1
430.24979	95.8
431.09644	10.2
431.23358	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	430.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85821	1.9
51.94754	1.7
53.03920	2.4
54.68410	1.8
56.96565	1.8
57.03437	20.7
57.07074	17.5
58.46273	1.9
59.04990	5.6
60.04493	2.1
63.04491	23.6
69.03428	70.8
70.06583	4.9
70.14197	4.5
70.14594	3.7
73.02904	7.0
75.04465	5.5
81.03419	3.3
85.02905	54.2
86.09715	3.4
87.04467	55.7
89.65685	1.9
91.05437	2.3
97.02892	55.3
98.95237	2.4
99.04466	2.4
101.09666	2.4
109.02887	3.3
115.03924	79.0
119.10693	100.0
127.03899	8.6
133.04962	71.3
137.02292	2.7
145.04942	8.2
147.04456	3.8
150.07649	7.3
153.01825	3.1
168.71669	2.0
169.04990	2.6
192.48917	2.0
224.80440	2.0
240.15875	3.8
241.06984	3.2
259.08173	3.7
295.10065	2.8
303.05051	2.8
385.17548	2.3
401.21951	2.1
430.21057	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	430.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.9
55.01866	4.1
55.05513	6.4
55.66587	2.2
56.05027	5.0
57.03423	4.7
58.06592	11.5
59.04996	2.7
61.02922	12.4
67.05502	7.6
69.03433	31.1
69.07051	5.6
69.33987	13.2
69.34407	15.6
70.06579	12.2
71.04993	4.3
72.04508	3.4
73.02944	5.9
74.06084	3.9
74.19378	2.6
75.77734	2.4
79.05502	7.6
80.05031	3.2
81.03416	22.8
81.07049	14.4
82.06582	3.3
83.04961	15.8
83.08594	4.4
84.04505	7.3
84.27310	2.7
85.02898	54.2
85.06554	4.6
86.06081	4.9
86.09688	3.9
86.78290	3.2
87.04456	5.1
91.05453	6.4
93.07018	13.5
94.06573	5.8
95.04990	5.5
95.08595	16.4
96.08106	2.9
97.02866	24.1
97.03323	2.4
98.06029	6.5
98.97576	8.1
99.04436	5.2
99.08096	9.2
101.06040	2.6
102.09174	5.1
103.52424	2.8
105.07022	26.0
107.04959	4.6
107.08581	37.1
108.08124	4.6
109.02896	7.7
109.06521	10.1
109.10178	9.5
110.06036	10.3
111.04434	3.9
112.07598	2.8
116.98587	3.2
119.08566	18.0
121.06513	8.6
121.10133	23.4
122.09620	2.8
123.04428	4.6
123.08057	17.3
123.11727	4.0
125.09650	3.2
126.05526	6.7
127.03922	10.3
131.08577	10.8
133.10127	20.0
134.09662	3.4
135.08054	45.9
135.11713	7.8
137.02383	3.5
137.09601	13.2
140.07060	11.1
145.04926	4.9
145.10060	14.0
147.08009	7.4
147.11676	11.7
148.11201	7.0
149.09605	26.9
149.13252	8.6
151.11185	3.9
152.07080	5.7
153.09097	3.6
156.12283	2.9
159.11737	4.4
161.09593	3.6
161.13217	15.6
163.11186	8.7
163.14804	8.1
165.12752	3.7
168.06537	3.5
171.11705	6.3
173.13248	9.9
175.11201	3.5
176.10727	8.2
176.62166	3.2
177.09120	5.9
177.12741	27.3
179.14345	6.7
186.07632	10.8
189.12743	22.8
191.14337	23.0
192.13823	5.8
194.11736	3.8
195.13875	10.2
203.38219	2.8
204.08670	25.7
206.10326	3.7
206.15352	6.6
207.13777	39.1
209.15358	20.9
211.13226	3.1
212.12875	3.9
215.14378	4.2
220.16852	15.8
225.14870	9.2
232.16966	19.8
233.15393	9.8
250.18013	99.9
251.16422	12.3
267.36597	2.9
268.19049	94.5
269.19278	3.8
283.12204	3.5
286.47763	2.6
287.05511	27.1
302.12399	4.2
315.04956	6.4
337.87039	3.1
412.23447	17.7
430.24774	100.0
431.09714	11.7
431.23230	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	429.2999
Annotation	meso-octamethylcalix[4]pyrrole
Peak:m/z	Relative Intensity
52.19555	0.6
53.03951	0.8
55.05506	3.7
57.07074	4.0
61.55087	0.4
65.03934	2.0
67.05496	4.9
68.99784	1.0
69.03430	1.5
69.07065	3.1
69.27971	2.4
69.28398	3.1
70.83950	0.5
71.08618	2.0
79.05484	2.8
81.03411	3.3
81.07053	3.0
83.04964	0.9
83.08607	1.7
85.02898	1.4
85.10168	0.8
87.50605	0.5
91.05480	1.4
93.07038	1.1
95.04966	5.6
95.08572	0.8
95.71567	0.6
97.02879	1.3
97.06508	0.7
105.07026	1.1
107.04959	1.6
107.49769	0.5
109.06517	2.2
110.03652	4.4
111.04433	3.8
119.08658	0.5
121.10164	0.5
123.04418	100.0
124.04720	0.6
125.05980	16.7
137.05963	34.4
151.07527	1.1
157.24010	0.5
160.02501	0.5
165.09039	1.0
172.65358	0.5
175.11189	0.7
193.12183	1.8
207.77814	0.5
211.13155	3.1
288.78528	0.5
305.24689	0.9
340.13129	0.5
349.16489	0.5
358.02811	0.6
374.57645	0.5
388.42419	0.5
396.15353	0.5
399.14682	0.6
429.30042	95.1
430.30417	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	429.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	7.9
55.01852	1.8
55.05514	10.0
57.03439	12.2
67.05506	9.2
69.03427	22.4
69.07080	3.6
71.04979	7.0
71.59775	2.4
79.05505	8.2
81.03416	58.5
81.07066	11.6
83.04983	16.3
83.08611	12.8
85.02905	17.0
85.06554	1.5
87.04421	1.5
91.05476	11.3
93.07051	8.3
95.04957	12.9
95.08592	5.6
97.02889	40.0
97.06532	2.1
99.04439	7.0
105.07007	8.1
107.04959	4.2
107.08594	1.7
109.02870	11.8
109.06494	2.5
109.10154	2.6
111.04440	6.8
111.08084	9.3
119.08587	9.9
121.10130	3.8
127.03905	8.7
129.05467	3.4
129.06987	5.0
131.08553	4.0
132.22523	1.5
133.10136	3.8
145.10135	2.8
147.11661	9.4
149.09621	3.6
157.10170	7.3
163.11238	2.1
173.84982	1.8
175.11229	7.9
181.12271	2.1
184.94321	1.4
191.10695	2.2
193.12245	38.6
211.13284	60.1
211.15273	3.3
227.12773	4.0
229.14430	3.2
249.14853	3.4
275.54907	1.7
285.17020	5.9
325.33057	1.9
337.16193	2.2
355.17667	4.3
428.04587	1.7
429.12030	2.9
429.21393	35.1
429.31879	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	429.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.7
58.34316	0.4
61.77777	0.3
69.03425	0.5
69.92123	0.4
70.06590	0.5
70.08717	1.7
71.04991	0.5
73.02891	0.4
79.05511	0.3
85.02894	2.3
92.02606	0.4
95.04990	0.7
97.02914	0.5
98.97569	0.8
107.04958	0.5
116.98660	1.0
119.08560	0.5
123.04411	1.2
126.34855	0.4
127.03951	0.6
132.04448	0.4
139.03918	0.5
147.04442	0.6
151.03888	0.7
153.01868	0.8
154.02177	0.5
163.03902	1.0
163.40451	0.4
177.00742	0.5
203.05211	1.1
210.07715	0.5
237.02898	0.8
249.14648	0.5
381.18869	0.6
429.20969	100.0
430.21252	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	429.2113
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.03947	6.0
55.01889	1.8
55.05511	10.6
55.79942	1.4
57.03437	7.7
65.03934	1.9
66.06672	1.5
67.05505	11.2
69.03423	20.8
69.07081	4.0
70.06606	3.2
71.05005	4.3
71.59391	2.7
73.02922	2.5
79.05482	11.5
81.03416	47.8
81.07061	18.0
83.04977	11.4
83.08614	13.7
85.02905	13.3
85.06556	1.9
91.05470	15.3
93.07061	9.2
95.04969	12.9
95.08644	5.0
97.02885	24.9
97.03422	2.0
97.06497	1.7
97.10202	4.0
99.04487	4.6
101.02381	2.4
103.03951	1.7
105.07013	13.4
107.04979	4.6
107.08619	4.4
109.02912	9.0
109.06538	2.1
109.10149	1.7
111.04482	4.2
111.08112	6.5
117.07043	1.8
118.40923	1.5
119.08559	8.0
121.06544	4.0
121.10184	5.1
123.04462	5.6
123.08075	1.7
123.11781	2.4
125.09621	2.5
127.03960	7.5
129.05547	2.3
129.07016	6.6
131.08606	7.1
133.06509	2.2
133.10156	5.5
135.08119	1.4
135.11710	2.0
137.05984	1.8
141.07068	2.1
142.07790	1.9
145.10129	2.2
147.08112	2.6
147.11673	9.8
149.09776	2.9
157.10185	6.8
165.12810	4.4
167.07106	2.4
175.11276	6.1
183.06670	1.8
193.12239	34.6
211.13275	52.3
211.15221	2.7
227.12729	1.7
229.14427	2.9
235.18826	1.6
249.14795	4.0
267.15976	4.7
285.16898	7.5
393.18839	1.8
406.29037	1.8
411.20203	5.1
429.21109	100.0
430.21320	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2113
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
53.03942	8.6
55.01878	2.7
55.05500	13.8
57.03429	12.6
67.05506	18.4
69.03423	28.3
69.07080	5.2
71.04993	6.4
71.09331	3.9
71.09693	4.7
72.18412	2.0
72.25671	2.3
73.02916	3.4
79.05491	16.5
81.03415	87.6
81.07059	25.7
83.04970	17.7
83.08618	17.6
85.02903	21.9
85.06562	3.0
86.09702	2.7
87.04490	2.7
91.05466	21.0
93.07018	12.8
95.04962	23.4
95.08617	6.4
97.02882	46.0
97.06530	3.7
97.10191	5.2
99.04462	4.3
103.03927	2.6
103.05398	3.4
105.07014	17.0
107.04985	7.9
107.08581	8.3
109.02890	12.1
109.06513	4.2
109.10171	3.2
111.04446	4.7
111.08085	10.2
117.07002	4.5
119.08584	17.0
121.06505	2.7
121.10131	8.7
123.04423	5.3
123.08124	3.8
123.11726	3.5
125.09615	2.4
127.03930	10.0
129.05472	4.1
129.07033	6.6
131.08566	9.3
133.06503	2.6
133.10118	7.8
135.07954	2.4
137.06004	3.9
137.09700	2.0
145.10124	4.7
147.08113	3.1
147.11673	17.4
149.09634	4.9
153.01846	3.7
157.10126	12.2
163.11145	2.4
165.12830	7.3
167.07159	3.0
175.07530	2.7
175.11174	14.6
179.06979	2.4
183.06551	3.2
191.10838	2.4
193.12238	51.9
211.13269	83.3
211.15250	4.7
211.80328	2.2
229.14326	4.9
235.13478	2.6
249.14842	9.4
267.16013	9.9
285.16977	16.5
301.14240	2.4
312.17416	2.6
313.16470	4.4
319.15378	3.0
355.17572	3.0
393.19040	2.8
393.26599	2.4
411.19974	4.1
429.08652	3.1
429.21133	100.0
430.21066	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	429.2094
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
56.96558	0.6
57.03440	0.5
65.89175	0.4
69.03421	1.2
70.00789	1.0
70.01204	1.5
70.06632	0.5
70.98396	0.4
71.04974	0.5
79.05499	0.4
79.53941	0.4
81.03435	0.8
85.02901	2.0
91.05396	0.6
91.05864	0.6
93.07101	0.4
95.04967	0.6
97.02859	0.8
98.21500	0.4
98.97583	1.3
109.02873	0.6
116.98616	0.4
121.84411	0.4
131.04926	0.7
133.06458	0.6
133.10159	0.5
139.03896	0.6
147.04431	1.9
153.01813	1.7
154.02139	0.5
163.03802	0.4
203.05226	3.7
228.06436	1.5
237.02831	0.6
249.14682	1.0
309.15619	0.9
371.53772	0.4
429.20959	100.0
430.21365	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	429.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23439	1.2
55.05494	1.7
56.96561	12.4
57.03422	1.8
61.02911	4.3
67.05508	2.8
69.03416	2.8
71.44563	1.8
71.95274	1.8
73.02905	2.7
79.05472	5.0
81.03407	5.0
81.07040	3.4
83.04955	1.5
83.08601	1.6
85.02908	5.2
91.03954	2.4
91.05465	3.4
93.07030	3.4
95.04955	3.6
97.02889	4.9
98.97581	16.9
103.05457	2.8
105.07015	14.3
107.04948	35.1
107.08567	1.8
109.06500	2.3
109.10165	1.4
116.98618	27.3
117.07013	1.8
119.08587	2.3
121.06483	11.8
127.03931	1.5
131.04921	22.0
131.08565	2.0
133.06476	17.0
133.10144	1.5
134.99648	30.1
135.08061	1.9
137.09621	1.5
140.00233	2.4
145.06444	9.1
151.07532	1.9
153.00719	6.2
153.09120	3.2
158.01321	1.7
165.09183	2.4
169.08598	1.5
173.06000	1.8
181.08583	22.3
182.09262	2.4
183.10112	1.9
191.07014	1.6
193.04897	1.8
193.12289	3.1
195.08095	1.6
195.10210	1.9
210.10359	2.9
211.11296	1.5
211.13220	2.2
221.09590	3.9
222.10320	1.7
223.07480	2.1
238.09804	7.4
239.10658	3.3
247.02780	4.2
249.09102	5.6
250.09822	1.5
253.12302	7.9
265.08405	1.8
266.09259	4.6
267.09998	2.8
267.16000	2.5
270.04257	2.6
271.13928	1.8
281.11703	12.9
282.12375	4.0
283.06656	1.7
283.09521	6.7
285.06485	1.8
297.11212	3.1
298.07166	2.9
298.11932	5.0
301.07376	1.9
311.05908	3.1
313.14310	100.0
314.14600	5.1
325.07532	1.7
326.08133	3.1
329.06973	4.1
337.07449	1.9
339.05380	4.0
339.25269	1.5
340.06033	4.4
341.06909	1.8
344.09372	3.7
349.87149	1.4
351.09259	2.4
354.04059	2.0
354.07794	12.8
355.08524	5.5
357.06378	2.9
369.10034	12.4
372.04080	2.5
372.08765	27.5
373.09094	1.9
386.06699	5.0
387.06473	2.1
387.11145	37.0
392.11908	1.7
395.10535	2.1
396.08701	1.8
401.09039	5.9
404.07755	3.6
410.12827	3.4
411.11139	52.1
412.11334	2.8
414.09827	2.2
419.09836	3.1
429.12161	48.2
429.21069	2.2
430.12476	2.1
452.13971	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	427.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.6
56.96557	7.3
60.56565	1.2
67.05487	1.5
69.03422	2.3
70.06571	1.6
70.89249	2.8
72.08143	3.3
79.05487	1.8
81.03374	1.2
81.07030	1.8
84.96031	1.3
85.02879	4.1
86.09693	2.3
91.05482	2.0
93.07015	2.5
95.08589	2.1
98.97578	7.5
105.07014	4.3
105.67310	1.3
107.08554	1.3
116.98598	6.8
121.10169	1.6
123.04382	3.2
128.98569	3.5
131.08598	1.3
134.99667	2.3
137.02325	1.8
139.03842	3.8
146.99609	5.2
147.04378	1.6
151.03860	1.3
153.01794	1.2
159.08104	1.2
161.05901	1.3
167.06993	3.8
177.00685	2.4
185.16353	1.6
193.73517	1.2
198.06706	1.6
203.05238	1.4
203.12711	3.2
213.15964	1.9
219.01671	1.9
237.02864	6.9
247.13037	3.8
253.11209	1.4
257.08261	1.3
265.11127	2.4
265.13974	3.0
271.12143	10.5
283.12109	17.5
287.05338	1.3
289.13162	2.7
301.13202	5.4
307.12006	1.7
325.13040	3.7
384.15155	2.4
409.17896	3.3
427.17929	100.0
435.88181	1.6
445.17188	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	427.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.05043	0.6
57.05817	0.4
57.07066	0.7
66.54308	0.4
69.07062	7.5
69.55556	1.2
69.55985	1.5
72.08148	0.4
73.06545	1.8
76.83300	0.4
81.07055	0.7
83.04964	0.6
84.08150	0.3
85.39252	0.3
86.09699	100.0
87.10023	0.7
93.07017	0.5
95.51923	0.4
97.10171	0.4
98.20763	0.8
106.56338	0.3
107.08589	0.4
112.07589	0.9
118.08607	0.4
168.13831	1.0
186.14879	67.8
187.15234	1.1
214.14365	28.8
256.42004	0.3
281.22043	0.5
299.23462	0.5
314.19592	10.5
399.28470	6.6
427.28107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96287	1.4
56.96560	19.1
70.39744	2.9
79.05499	1.0
84.96012	0.8
91.05491	0.8
95.19129	0.7
98.21368	1.1
98.97572	15.1
109.45635	0.8
110.97549	2.2
111.04350	1.1
116.98612	7.3
123.04441	2.3
128.98627	4.1
134.99655	1.6
137.06010	0.9
139.00658	5.5
139.03899	8.8
146.99672	1.9
147.04404	1.2
153.01854	3.0
154.02121	2.4
157.01688	5.6
158.99643	2.3
159.03287	1.1
161.01236	2.4
161.05975	3.6
163.02687	1.1
163.03911	9.8
169.01744	2.2
170.71234	0.8
177.00706	1.5
181.01712	1.2
189.00710	1.1
189.05525	0.9
191.03539	1.1
193.05359	9.1
199.02774	2.0
201.00755	0.9
201.05521	1.3
203.03761	1.4
205.05341	7.2
207.03293	2.8
209.04790	1.0
211.06409	17.5
219.01662	5.3
221.04855	4.3
223.06412	49.5
224.06772	1.5
225.04259	4.1
229.04950	3.0
229.07314	1.6
237.02762	10.3
237.04823	1.1
239.05855	2.0
241.07466	27.1
246.08078	1.4
247.06340	13.9
248.06680	1.6
253.07526	1.4
255.03867	0.9
259.06000	5.4
265.07477	18.5
271.06042	1.3
277.07367	1.5
279.09210	1.3
283.08499	23.7
287.05341	1.1
289.07053	7.4
301.09686	1.5
307.08600	2.9
320.08511	0.9
325.09698	1.2
349.09702	1.5
367.10638	71.8
368.10950	3.0
385.11697	4.5
391.07901	1.0
409.09094	3.6
427.12894	100.0
428.13324	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
57.03431	0.3
65.84229	0.3
67.05502	1.8
69.03400	0.3
69.07065	0.3
71.60506	0.3
79.05483	0.7
81.03402	0.6
81.07057	1.5
91.05471	0.6
93.07056	0.6
95.04925	0.3
95.08587	0.6
105.07019	0.3
107.08601	0.3
109.10132	0.7
119.08610	0.3
133.10117	0.6
136.09181	0.3
153.01813	0.9
153.17661	0.3
162.80191	0.2
165.09148	0.3
213.29393	0.3
218.18555	0.3
221.04982	0.3
281.10605	0.3
288.97720	0.3
323.45996	0.3
333.13315	0.3
425.25070	100.0
426.25372	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	427.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07144	5.9
56.96558	13.5
58.99882	5.9
64.33981	4.7
71.04987	6.5
71.59097	10.0
72.79716	6.1
78.00960	5.6
79.00657	11.7
85.01420	5.8
85.02903	14.6
85.91345	5.0
103.02445	45.1
107.04954	45.4
117.04004	17.1
119.01923	44.9
121.01648	11.9
121.03477	45.1
123.04360	6.4
126.03964	5.6
129.00320	6.6
131.01926	31.2
135.05069	26.2
136.06165	10.1
137.02943	15.9
139.03969	5.6
145.03444	32.7
146.99573	12.0
147.01367	54.8
149.02943	16.9
155.02022	8.4
159.01382	9.5
159.02927	5.7
161.02922	44.4
163.04459	23.6
165.02448	36.1
165.03804	9.8
173.02934	14.6
174.99071	5.9
175.00903	5.5
177.02373	15.6
179.03975	7.6
181.03447	8.4
183.03505	10.1
183.05002	8.2
185.04674	6.0
185.06590	6.2
186.99200	7.0
187.00928	5.7
189.00716	10.1
189.02420	65.0
193.00192	8.3
195.05025	69.1
197.04802	24.7
199.04494	10.8
203.12752	9.7
205.00175	11.2
205.01935	24.6
207.01576	13.0
207.03494	100.0
207.05112	19.9
209.06573	7.0
211.04515	6.3
213.06151	27.9
214.98686	7.2
221.06581	8.1
223.04523	14.2
225.06078	27.7
230.04910	5.9
231.03427	29.5
232.99471	27.3
235.04536	21.0
237.06042	10.2
239.07841	6.2
241.05544	6.5
243.07120	7.2
247.02678	43.9
251.07790	6.2
253.05608	76.3
261.06039	10.6
263.24600	5.4
265.01788	10.6
265.06082	8.5
267.07037	19.9
269.08749	6.8
271.06744	43.9
273.06488	6.0
277.05594	14.1
279.07065	17.7
281.05099	20.4
283.06635	8.3
287.05435	6.3
295.06650	21.0
297.08151	9.1
299.05988	8.4
306.05090	5.8
307.06735	7.3
309.04959	5.4
315.05820	8.9
321.04059	6.1
323.06104	39.5
327.05112	6.5
337.03381	6.7
337.07678	62.2
351.05719	56.7
355.08527	7.0
356.22461	6.1
363.05661	8.7
365.07230	58.8
369.06775	36.3
409.05682	8.7
427.11871	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	425.228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78604	0.1
62.67751	0.1
67.05499	0.4
70.74548	0.4
70.74881	0.3
77.45670	0.1
79.05486	0.4
81.07027	0.3
91.05460	1.1
95.68714	0.2
103.05452	0.2
104.06233	0.3
105.07020	3.4
109.10120	0.2
117.06957	0.2
121.10077	0.2
123.04421	0.4
132.08047	0.6
133.08862	9.3
146.09662	0.4
147.04321	0.2
148.11197	100.0
149.11545	1.6
153.01834	0.3
197.54666	0.2
252.15585	0.2
372.48312	0.2
397.03391	0.2
405.21375	0.2
425.18042	0.4
425.22778	9.7
426.23212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1416
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
51.49755	0.4
61.37289	0.4
70.04727	0.9
70.05125	1.7
71.96024	0.3
79.01871	0.6
91.05473	2.3
95.67410	0.4
98.21716	0.4
99.83257	0.4
101.08513	0.4
107.36767	0.4
123.04424	0.5
125.02318	0.4
143.03383	0.7
143.81874	0.4
147.04411	0.4
149.05922	0.4
149.23741	0.4
153.01828	18.3
196.10698	0.4
207.31114	0.4
247.05922	2.0
257.98917	0.4
259.06213	0.5
293.09821	0.6
311.09753	2.0
319.08130	3.1
329.10730	0.5
363.07205	0.7
425.14154	100.0
426.14432	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04624	0.3
71.06073	0.9
79.01842	0.3
79.05518	0.3
85.02905	0.4
85.37922	0.3
96.00495	0.3
97.02885	0.4
98.97582	0.7
125.02364	0.6
143.03423	0.8
153.01819	13.6
196.86752	0.4
223.09109	0.5
232.09970	0.4
239.02435	0.4
247.06033	1.0
315.36169	0.4
319.08105	1.4
363.07159	0.7
407.08148	0.5
425.17813	100.0
426.18234	3.0
434.97934	0.4
442.14639	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1777
Annotation	GlcNAcbeta1-6GalNAcalpha
Peak:m/z	Relative Intensity
53.13935	0.4
70.06614	0.4
70.72726	1.1
73.40972	0.4
80.28092	0.4
89.90154	0.3
104.94217	0.3
153.01820	1.2
201.77734	0.4
225.94353	0.3
250.52382	0.4
312.00681	0.4
407.07666	0.8
425.17786	100.0
426.18051	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	425.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08282	1.9
55.01857	5.4
55.05500	3.6
57.03411	3.1
65.03943	2.2
66.47525	1.8
67.05512	14.6
69.03439	4.7
69.07063	3.8
71.04975	2.5
72.08112	2.4
77.03930	1.8
79.05492	15.1
81.03400	7.7
81.07060	17.4
83.04990	3.4
83.08611	2.3
85.02921	1.9
89.05999	2.3
91.05479	22.5
93.03414	2.7
93.07036	10.1
95.01328	23.6
95.04957	7.2
95.08626	9.2
97.06538	2.8
103.05491	1.9
105.07031	14.0
107.04971	6.0
107.08603	6.5
109.02859	3.4
109.06513	2.5
109.10142	2.9
113.02328	2.4
117.07002	7.2
119.04940	4.3
119.08574	8.3
121.06494	2.6
121.10191	4.1
123.04413	3.7
125.02377	3.5
128.06216	3.8
129.07016	10.7
131.03964	2.0
131.04918	4.5
131.08536	6.3
133.06487	4.7
133.10135	6.2
135.08061	3.7
137.09651	2.2
141.06967	2.5
145.06485	3.7
145.10121	4.4
147.04416	3.6
147.08067	4.6
147.11702	6.0
149.09569	1.8
151.03937	2.5
155.08577	2.9
157.06419	2.0
157.10118	4.9
159.04456	2.6
163.03839	2.0
165.05432	4.4
167.08537	3.0
169.10098	3.8
171.08076	2.9
171.11655	2.7
173.06007	2.7
173.09624	3.4
175.03935	3.9
175.11127	2.1
183.08112	2.6
185.74249	1.8
187.03874	2.3
189.05457	3.0
195.11716	2.4
199.11105	2.1
213.05356	2.3
213.12726	2.1
217.04915	2.7
221.04483	8.5
225.09093	2.9
229.23538	1.8
233.11673	3.3
241.12225	5.4
253.12212	2.1
269.11758	8.3
271.13345	2.2
287.12787	10.3
297.11288	5.3
300.33685	2.0
305.13763	5.4
315.12244	17.1
333.13300	66.4
333.17285	3.9
425.18048	100.0
426.18323	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	425.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74475	2.4
75.53416	0.5
80.29790	0.4
82.99873	1.2
89.00902	0.4
97.02881	0.8
101.00870	8.1
105.00375	0.5
109.02880	1.1
113.00851	1.1
115.60442	0.4
119.01917	25.8
127.02423	1.0
129.00272	0.4
131.01894	8.4
137.02936	3.1
139.02391	0.8
143.01889	21.1
145.03470	8.9
147.01396	1.2
149.02965	1.8
155.01891	9.2
157.03467	5.2
161.02953	43.0
162.03160	0.8
163.04559	0.8
167.01869	5.0
169.03450	2.4
171.05014	1.5
173.02957	19.2
174.03006	0.4
175.04495	1.7
179.01877	2.7
179.03938	1.2
185.02948	29.5
186.03145	1.0
187.04518	3.4
191.03998	5.0
197.02954	12.0
199.04558	0.7
203.03989	16.9
205.05649	0.6
209.02989	0.8
215.03986	7.4
221.05075	2.2
226.05389	0.5
227.03998	7.0
233.04997	0.9
239.04047	0.5
245.05060	100.0
246.05249	2.9
257.05026	4.2
263.06119	26.8
264.06354	1.0
275.06113	12.2
293.07162	4.1
305.07135	9.0
317.07077	0.7
335.08136	3.3
365.09314	4.5
383.10291	0.6
425.06418	4.7
425.11591	9.4
426.11417	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	82.7
69.03407	2.2
69.52427	7.3
69.52857	7.1
69.64552	1.5
79.01848	2.8
84.96027	18.7
85.02888	3.2
97.02860	3.7
98.20770	3.0
98.97578	84.4
99.05573	2.5
102.97062	3.8
107.04939	2.0
107.74947	2.1
110.26409	1.7
110.97548	13.9
112.99115	2.5
116.98615	82.7
119.01837	1.6
119.04936	2.1
120.98086	2.1
123.04431	2.6
127.03901	2.5
128.97662	2.6
128.98602	34.2
131.00130	8.2
134.99654	71.4
139.03813	4.5
143.00194	11.7
143.03326	3.3
144.98035	4.1
146.99640	47.0
147.04350	7.1
149.01230	10.6
152.98616	2.3
153.00676	7.0
153.01819	48.0
153.02917	1.9
155.00240	1.9
158.01318	2.3
158.99675	12.3
160.99153	2.0
161.01212	52.9
162.99174	9.0
165.00667	7.7
167.02332	1.9
169.01367	5.4
170.99675	9.3
173.01285	2.2
177.00726	26.5
179.02234	16.4
182.99695	2.9
184.02811	2.6
187.02682	2.8
189.00699	15.3
193.01740	2.2
194.99696	3.5
195.01666	4.0
195.03310	4.9
201.00671	16.4
203.00235	2.5
207.01736	4.0
209.01207	4.8
211.02724	8.1
213.00665	5.8
213.04240	15.7
219.01746	56.7
221.01108	3.8
237.02806	100.0
238.03189	2.0
238.99905	3.5
239.02249	55.6
242.03174	2.2
245.04816	2.9
246.05215	2.6
255.03807	10.0
257.03314	69.1
260.04437	4.1
261.02600	2.6
263.02304	3.5
263.05261	1.8
280.04883	2.6
281.03186	9.8
293.03238	2.0
299.04816	5.2
305.03326	5.7
307.04877	7.4
311.04440	2.3
317.03217	13.6
319.07855	5.1
323.04321	4.4
325.05679	2.3
335.04205	5.3
347.04373	6.2
365.05374	46.5
379.08047	2.0
383.06421	45.0
384.06757	2.3
401.07639	10.6
406.08072	4.4
407.07620	5.0
425.07434	75.6
443.08701	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	425.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	4.4
58.99857	12.0
61.02893	2.1
62.29068	1.4
65.83892	1.4
69.85100	2.8
69.85498	8.1
70.94209	1.5
70.99843	3.2
73.02866	1.9
77.00908	53.4
82.99854	1.6
85.02879	3.3
89.00850	7.0
91.02407	4.1
91.05438	2.4
92.82515	1.5
95.01373	1.7
95.01944	27.2
97.02862	2.2
98.21490	1.6
98.97552	3.8
101.00861	9.5
105.00346	3.2
107.04940	15.1
109.03453	1.9
115.07572	1.5
116.98592	2.0
118.01059	1.5
119.01917	47.6
123.01433	1.7
126.98750	3.4
131.01920	14.1
133.03392	4.6
134.99637	2.3
135.01367	21.9
136.02110	1.6
137.02956	12.9
142.03534	1.8
143.01895	15.2
144.99823	41.8
145.03378	6.3
147.01353	4.1
147.02925	2.0
149.02942	11.5
153.02455	32.3
154.98161	1.6
155.01878	7.5
157.03407	5.5
159.01341	4.7
161.01117	1.4
161.01382	1.6
161.02968	32.9
163.00864	12.3
163.04436	1.8
165.03955	10.0
167.01784	3.9
167.03987	3.4
167.05365	1.5
168.99800	9.0
169.03354	1.8
171.01271	1.8
171.04968	1.7
172.97890	2.6
172.99315	27.1
173.02951	15.8
173.99365	2.1
174.98393	1.8
175.04507	2.4
177.02357	13.5
177.03888	3.5
179.03833	3.0
180.02605	3.3
181.03351	4.6
183.05035	15.2
184.99336	21.1
185.00864	2.9
185.02931	20.0
185.04413	3.0
185.06468	5.9
186.99307	2.5
187.00858	28.9
187.04372	2.6
190.98663	2.1
191.00348	32.7
191.03854	4.0
193.03319	2.3
195.05032	67.3
196.05206	2.4
196.99142	3.2
197.02946	10.7
197.06538	3.4
198.03694	3.2
199.00781	1.9
199.04396	5.9
203.00343	31.3
203.03920	10.5
205.01933	27.6
205.03645	3.5
206.04074	2.1
207.01657	1.7
207.03233	2.6
207.05118	10.1
209.06471	3.7
210.54355	3.4
211.04486	5.3
212.98795	21.8
213.06082	21.2
215.00337	17.7
215.03830	5.2
217.01675	1.8
219.03458	3.4
219.54884	4.7
223.02737	11.8
223.04518	5.2
225.06099	15.6
227.03859	4.9
229.01822	4.2
229.05548	3.0
230.99846	100.0
235.02437	2.8
235.04385	7.1
237.02568	2.4
239.03987	2.3
243.07147	10.9
245.01251	13.6
245.05040	55.0
247.02902	13.9
251.03885	6.1
253.05589	19.4
254.01244	5.4
257.04871	4.9
263.02365	39.9
263.06091	10.5
269.04977	3.4
271.06647	13.7
273.02365	3.3
274.54745	5.4
275.05954	6.6
277.05356	2.9
279.03397	1.6
286.03952	2.2
291.03268	13.4
291.06540	2.8
293.04761	5.8
297.04544	2.3
303.03467	7.3
304.55893	9.5
305.04559	3.0
305.07397	2.4
307.03079	7.6
307.06100	2.0
309.04242	4.2
313.56293	2.8
319.02786	4.5
321.04556	19.3
323.05875	7.1
325.07474	2.0
335.02411	13.2
337.03714	5.4
339.05426	4.2
339.62048	1.6
346.96680	1.8
347.02292	1.7
349.04044	8.5
351.05273	2.0
353.03186	4.1
353.06992	5.8
361.03876	2.2
363.05539	2.9
365.03183	3.1
365.09073	2.6
367.05042	19.5
370.23709	1.6
381.06372	5.1
385.06009	2.2
407.08231	7.9
425.07129	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01875	0.7
55.05511	12.0
57.03441	3.2
57.07073	1.6
59.05000	3.3
61.85230	0.6
65.03933	2.0
67.05503	100.0
68.05827	0.9
69.03403	0.8
69.07072	11.0
69.90089	0.6
71.04993	4.3
73.02943	0.8
73.07513	0.6
79.05492	18.0
81.03414	1.1
81.07056	47.0
83.04986	2.9
83.08619	10.3
85.06558	4.1
86.44569	0.7
91.05482	14.6
93.07043	26.9
95.04985	3.7
95.08600	11.5
95.09158	0.9
97.06523	5.1
97.10196	1.0
98.20742	1.2
99.08128	1.3
105.07038	4.0
107.08591	14.7
107.09277	0.9
109.06525	1.6
109.10155	57.7
111.08081	5.7
117.06997	3.6
119.08591	5.4
121.06487	1.3
121.10145	7.5
123.11728	2.2
125.09628	1.0
131.08562	4.3
133.10120	7.1
135.11674	5.3
137.09651	2.9
139.11220	0.9
148.93474	0.6
149.13254	14.2
149.36345	0.6
155.10637	3.1
159.11699	6.9
173.11751	19.3
177.12750	2.6
195.13809	10.2
213.14806	0.8
259.09198	0.6
271.05862	0.9
423.27408	53.4
424.27774	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01859	1.7
55.05508	14.2
56.96566	1.4
57.03430	4.5
57.07062	2.4
59.04996	3.9
61.02929	1.3
65.03944	1.7
67.05499	100.0
68.05810	0.9
69.03427	1.2
69.07063	11.6
71.04980	3.8
71.05650	1.5
72.09360	0.8
73.02927	1.3
73.77967	0.7
79.05486	20.9
81.03415	1.7
81.07049	48.9
83.04967	3.3
83.08611	11.0
85.02924	1.3
85.06546	4.5
91.05470	17.0
93.07033	26.8
95.04936	4.3
95.08597	12.3
97.06529	5.4
97.10174	1.8
99.04459	0.7
99.08080	0.9
105.07022	4.4
107.04948	1.2
107.08592	15.1
109.06501	1.8
109.10146	57.0
109.98779	0.7
111.08055	6.0
117.07008	4.4
119.08559	5.2
121.10130	6.4
123.08026	1.0
123.11726	1.6
125.09633	1.1
129.07034	1.2
131.08574	4.7
133.10133	5.6
135.11665	4.8
137.09637	2.5
145.10147	0.7
147.11684	1.7
149.13240	13.1
149.14363	1.1
155.10654	3.0
159.11678	6.4
171.11713	1.3
173.11717	17.4
173.13133	1.1
175.40506	0.7
177.12761	2.1
195.13809	7.0
207.13734	1.0
213.14656	0.8
269.10617	0.8
285.10123	0.8
316.61829	1.1
395.02927	1.3
405.26138	1.2
423.27393	42.2
424.27341	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	9.7
71.59480	6.3
95.04958	3.4
109.10166	4.8
118.09673	3.5
118.55929	3.3
121.02865	7.1
126.33028	3.1
131.08540	3.2
147.04401	4.4
153.01804	5.5
165.09149	3.1
168.95697	3.9
171.64838	3.9
210.02365	3.9
219.01807	4.7
237.02824	14.2
253.07574	6.5
261.05243	100.0
271.08426	4.2
297.06549	4.5
367.03528	3.8
377.01791	9.7
395.02832	6.1
423.10562	90.1
423.19135	8.7
423.23660	16.2
424.09976	3.9
445.89185	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	422.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44472	0.2
51.09624	0.2
53.03919	0.3
55.01859	0.4
56.96555	1.1
57.03424	0.9
58.06584	0.8
61.02904	1.1
69.03423	2.6
70.13794	0.5
70.14202	0.8
73.02908	0.5
74.00643	0.9
76.03993	0.3
81.03403	0.9
84.04498	0.5
85.02898	6.3
87.04432	0.3
88.99155	0.2
92.01706	0.3
97.02884	2.1
98.21433	0.3
98.97586	0.5
99.04446	0.3
99.05583	0.3
100.02178	0.8
107.04916	0.3
109.02854	0.8
110.99009	0.3
112.03911	0.4
115.02145	2.5
116.98574	0.6
117.01820	0.2
120.01174	0.9
123.04454	0.3
125.02363	0.4
127.03907	1.3
127.99259	0.4
128.98576	0.2
130.05006	0.8
130.06528	0.4
137.98279	0.2
139.03885	0.4
141.02930	0.2
143.01604	19.4
145.04988	0.6
145.06088	0.6
146.02696	1.0
146.99664	0.6
147.02965	0.5
147.04338	0.2
153.01804	3.3
165.00667	0.4
171.01096	100.0
172.01488	1.6
172.97585	0.3
174.01845	0.3
177.00778	0.4
177.03281	1.6
183.57686	0.2
190.98624	0.9
196.01302	0.3
205.00192	0.3
223.01244	0.3
232.99760	0.4
253.02876	0.7
260.05841	13.7
275.00702	0.4
295.03842	0.4
302.07022	0.5
304.04468	0.4
306.07535	0.3
386.09222	0.4
404.09711	0.4
423.11386	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
54.23994	0.8
55.01869	1.6
55.05497	1.0
56.96554	1.7
57.03436	1.2
58.06598	6.4
58.99582	0.8
64.05103	0.7
69.03429	4.9
69.56857	2.3
69.57280	3.7
71.04994	1.5
72.08142	0.8
79.01839	1.7
81.03410	6.1
84.04498	2.2
85.02901	7.2
86.09641	0.8
90.94817	1.2
97.02891	5.0
97.06533	3.7
98.97577	1.5
99.04435	1.2
107.01317	1.6
107.04960	1.0
109.02870	5.7
116.01640	1.4
116.98589	1.2
119.04916	1.2
121.06465	1.2
123.04436	2.1
125.02373	4.6
127.03916	6.8
128.96284	0.9
132.95804	1.0
134.99669	2.0
137.05913	0.8
143.03418	5.0
144.95805	0.9
145.05006	1.3
147.04393	2.9
151.03896	38.5
151.04958	2.3
153.01817	100.0
154.02170	2.6
158.97426	1.5
162.02188	1.1
165.05655	0.8
171.01430	0.6
171.02870	15.8
176.98491	1.1
177.03290	1.6
184.16104	0.9
186.96880	1.1
188.98375	1.1
195.06570	1.3
207.13768	0.8
216.97998	1.0
234.98941	5.3
237.02670	1.4
258.07993	1.3
265.12866	0.8
273.03836	1.0
291.05148	1.5
297.06012	8.4
309.06253	2.0
315.07062	17.4
347.11270	1.1
393.08194	1.4
423.12598	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	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	5.4
55.05510	4.9
56.96553	3.8
57.03426	5.0
67.05491	6.4
67.55743	2.4
69.03414	7.7
69.07055	9.5
70.06570	3.9
70.58602	8.5
71.04990	6.7
72.08140	3.3
73.02884	4.4
74.06062	3.3
76.07639	2.7
76.47768	2.6
79.05472	11.4
80.59150	2.2
81.03394	6.5
81.07037	12.9
84.04500	5.0
85.02915	17.7
86.09701	5.6
87.04447	3.1
91.05459	7.9
93.07027	13.5
95.04974	3.7
95.08591	5.1
97.02881	8.4
97.06551	4.5
98.97575	5.8
105.07020	27.7
107.04958	5.3
107.08591	44.3
109.02848	2.9
109.06528	4.1
109.10151	4.6
111.04439	4.1
115.05505	4.1
116.98603	9.0
119.04935	3.7
119.08560	34.9
121.02834	3.5
121.10132	12.7
123.04416	9.4
123.08047	6.0
125.05974	8.2
127.03893	5.3
128.10754	4.7
131.08559	3.3
133.06485	5.4
133.10114	17.4
135.04442	4.0
135.11653	18.7
137.02324	4.9
137.05956	6.9
137.09673	2.8
139.03906	4.7
145.10110	5.5
146.99611	2.7
147.04390	4.5
147.11668	3.9
151.03905	4.2
151.07529	8.2
153.01857	17.2
153.09103	7.6
156.09268	2.8
161.13248	98.6
163.12349	2.9
163.14801	11.0
171.11607	3.2
177.00684	3.4
187.07602	3.3
189.12743	24.7
207.13783	100.0
208.14276	4.4
223.07672	2.8
225.11386	3.1
225.14821	35.8
242.95700	3.0
243.08853	4.1
244.09344	15.8
245.09883	13.2
261.07507	3.5
271.05893	3.7
303.04916	4.6
305.01077	4.8
308.10910	2.9
319.02798	2.7
334.67773	2.9
376.23969	11.5
377.01828	10.6
378.02124	4.4
379.04858	4.2
379.15366	9.1
380.16589	9.0
394.24927	4.6
395.02866	6.1
395.23209	4.6
410.71725	2.8
422.14618	3.9
422.24411	22.1
423.12698	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	421.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.1
55.01871	8.4
55.05512	24.8
56.96570	4.3
57.03431	13.1
57.07076	2.1
59.04993	3.2
59.46579	2.0
61.02933	5.7
65.03947	3.7
67.05504	100.0
69.03429	6.7
69.07069	18.6
70.81786	4.8
71.04993	6.1
73.02928	3.4
73.35540	1.8
79.05490	40.2
81.03415	35.3
81.03851	3.1
81.07056	45.6
81.07516	3.2
82.07404	2.0
83.04981	11.5
83.08620	18.3
85.02908	5.5
85.06548	5.1
91.03970	3.8
91.05476	54.5
93.07039	36.4
95.04965	49.7
95.05550	3.2
95.08604	29.3
95.83260	1.8
97.02892	6.8
97.06542	5.1
97.10158	14.2
98.97617	2.3
105.07031	26.4
107.04947	22.3
107.08592	12.8
109.02894	3.4
109.06541	7.8
109.10152	51.2
111.04509	3.0
111.08101	4.4
117.07005	13.8
119.04951	1.9
119.08589	25.8
121.06486	20.8
121.07235	1.7
121.10134	11.5
123.04463	2.3
123.08083	8.0
123.11734	2.0
125.09649	8.7
128.06241	4.6
129.06995	16.5
131.04945	2.8
131.08571	15.8
133.06520	5.5
133.10104	14.7
135.08092	6.3
135.11711	3.3
137.09653	5.0
139.11201	2.2
141.06982	4.9
142.07803	3.0
143.08551	9.9
145.06497	3.7
145.10132	11.7
147.04419	2.0
147.08084	6.1
147.11740	8.0
149.09612	5.7
152.80588	1.7
155.08620	4.2
157.06508	3.6
157.10118	12.2
159.08066	3.5
159.11728	6.8
161.09665	7.6
163.11244	7.8
169.10153	4.4
171.08063	1.9
171.11749	2.7
173.09618	3.7
173.11792	13.8
173.13164	2.9
175.11116	9.8
177.12816	4.3
181.10089	2.7
183.11736	2.6
185.09732	2.3
187.11182	2.7
189.09148	6.9
189.11266	6.3
189.12750	2.4
193.12231	14.3
199.11118	3.1
201.12852	3.1
203.10754	8.3
203.12807	5.6
203.14532	2.7
205.12291	4.2
223.13437	7.0
231.13965	3.6
235.13293	2.1
235.71881	1.7
249.15016	8.2
251.11496	2.4
259.12912	2.4
269.12463	3.3
279.16360	2.1
283.20773	2.1
301.21500	4.5
311.20010	14.4
329.21100	72.3
330.21585	2.6
340.15289	15.2
347.22232	10.1
367.22794	2.7
385.23773	2.7
403.24738	36.8
421.17307	4.4
421.26089	68.4
422.26520	4.2
444.21738	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	421.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	0.7
53.03937	1.6
55.01862	1.9
55.05509	5.0
56.42925	0.6
56.90053	0.6
56.96553	1.3
57.03421	2.8
59.04985	0.8
61.02910	0.6
63.47651	0.6
65.03938	1.3
67.05500	18.0
68.99784	1.4
69.03418	1.5
69.07048	2.5
71.04968	1.8
71.60464	0.8
77.03914	0.8
79.05494	7.6
81.03425	4.9
81.07056	8.3
83.04979	2.4
83.08633	3.2
85.02876	0.8
85.06539	0.8
85.97778	0.6
91.05476	9.6
93.07043	6.5
95.04964	13.5
95.08595	6.6
97.02884	1.7
97.06551	0.8
97.10149	2.4
99.08114	0.7
103.04781	1.4
103.05457	20.3
105.07012	6.2
107.04942	4.6
107.08586	3.1
109.06502	2.0
109.10146	6.3
111.04434	4.9
111.08054	1.5
115.05464	0.7
117.07023	3.0
119.04927	1.2
119.08585	4.7
121.06500	3.6
121.10136	2.8
123.04420	56.1
123.08024	1.1
125.09593	2.1
127.44812	0.6
129.06985	3.0
131.04922	42.2
131.08557	4.4
133.06491	0.8
133.10127	4.2
135.08049	1.8
135.11670	1.0
137.09625	2.3
139.03894	100.0
140.04210	1.6
143.08566	2.3
145.06467	1.2
145.10086	1.8
147.04391	2.9
147.08073	1.8
147.11691	1.6
149.09569	1.0
151.03906	5.3
153.01793	4.4
153.07004	0.7
153.09151	1.0
154.05673	0.6
157.10133	2.6
159.08095	1.0
161.09619	1.5
163.03867	0.8
163.11211	2.4
167.08444	0.6
169.10100	1.1
173.09671	0.7
173.11742	1.6
173.13228	0.9
175.11186	1.8
177.12802	1.1
181.10162	1.0
185.09564	0.8
187.14824	0.6
189.09105	1.1
189.11203	0.8
189.12788	0.9
193.12286	2.3
199.11197	1.2
203.10692	1.7
203.12611	1.1
211.13342	1.3
215.14323	0.7
223.13159	1.4
249.14861	1.8
255.06497	1.1
273.07468	5.6
301.21774	0.8
311.20093	2.4
329.21082	13.7
331.14801	1.5
347.22195	1.8
385.23669	1.0
403.24631	6.6
412.17407	2.4
421.26074	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	420.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20107	2.5
53.03926	3.0
55.05510	4.4
57.03415	4.6
59.04985	2.9
61.02916	5.5
67.05492	5.3
69.03422	14.1
69.07048	4.2
70.06590	4.4
71.04995	3.6
71.59879	4.0
73.02896	3.6
79.05489	6.8
81.03400	6.5
81.07046	8.6
82.24239	2.1
83.04972	9.6
84.04462	3.0
85.02423	3.0
85.02904	36.0
85.06521	2.5
91.05467	15.0
93.03397	2.2
93.07034	23.7
95.04950	8.2
95.08601	10.8
97.02876	10.3
105.07032	17.3
107.04927	8.3
107.08585	19.9
109.02898	3.4
109.06500	6.1
109.10209	2.8
112.05081	9.7
115.05503	2.3
116.01698	2.8
117.07011	6.1
119.08537	14.4
121.06494	24.9
121.10136	24.9
123.04399	6.2
123.08032	15.5
124.03918	4.1
127.03896	7.2
131.08556	7.6
133.06421	4.7
133.10117	12.7
135.04369	3.4
135.08058	9.3
135.11668	13.1
137.05984	5.3
137.09610	9.0
139.07527	6.1
143.08646	2.8
145.04930	5.6
145.06487	3.4
145.10112	7.7
147.08037	4.9
147.11674	4.4
149.05983	18.2
149.09610	10.0
149.13219	7.9
151.07518	2.7
151.11147	4.0
157.10136	5.7
159.11687	32.0
161.09628	6.3
161.13245	5.3
163.11147	9.3
165.09087	3.6
167.06989	4.6
171.08916	2.5
175.11185	12.9
177.05475	3.8
177.09138	3.1
177.12720	62.4
179.10648	4.5
183.10120	3.1
187.11157	24.5
192.13696	2.9
193.12225	18.5
195.13791	4.2
204.14049	2.4
205.12227	68.9
207.13838	5.1
209.15350	9.5
211.13315	7.9
222.14977	4.3
223.13274	100.0
229.91693	2.7
240.15991	7.2
241.14331	77.0
258.17010	8.5
259.15408	44.7
269.18695	2.6
273.12650	10.1
287.05505	11.7
288.05811	33.2
403.19656	3.7
420.13052	4.6
420.22150	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	420.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	17.3
59.04978	3.1
61.02906	3.0
69.03079	2.8
69.03431	45.7
71.11346	5.1
73.02909	18.3
81.03415	2.9
85.02905	39.9
87.04469	25.9
91.05477	100.0
97.02893	55.6
105.07049	3.6
107.04932	4.8
115.03931	52.3
127.03918	8.5
133.04958	48.0
133.06450	2.9
145.04965	7.6
145.06505	2.5
150.07620	5.8
163.06090	4.0
175.07463	3.9
182.38985	2.3
191.08305	2.9
197.27173	2.4
217.08728	3.2
223.09689	5.9
253.10646	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	420.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
57.01547	1.6
57.03432	2.1
57.09847	1.5
64.03708	1.6
65.03919	2.6
67.05492	2.7
68.60411	1.5
69.03426	5.7
71.05017	4.3
77.03942	1.8
78.03439	3.9
79.05491	5.5
80.87558	1.7
81.03417	7.5
81.07047	2.0
85.02894	6.0
91.05451	4.0
95.04971	28.9
97.02889	3.1
97.06501	3.4
101.75761	1.6
103.05437	3.7
105.07047	2.2
106.02920	23.5
107.04955	23.0
109.02840	5.2
109.06522	1.8
109.10101	1.7
111.04436	3.4
115.05437	9.7
117.07002	14.0
119.04900	2.0
121.06548	2.3
123.04422	52.0
124.03958	47.5
124.04823	2.7
125.05970	5.6
127.03907	2.3
128.06285	1.6
129.06987	6.7
131.04938	3.1
131.08575	4.9
133.02890	2.7
133.06458	2.7
135.04448	1.9
135.08009	3.2
137.05963	11.7
140.04649	12.1
141.05440	5.2
141.07001	2.6
143.04903	1.9
143.08575	2.3
144.05765	2.7
145.06485	32.1
146.07251	1.6
147.04411	4.8
153.01822	3.1
153.05466	12.1
153.06546	1.7
154.06216	4.9
155.06000	3.9
155.07072	26.7
156.05682	8.8
157.06543	9.0
158.07266	4.2
159.08023	6.7
160.05170	2.6
161.05977	4.6
165.05495	1.7
167.07048	74.3
168.07724	9.9
169.04938	4.8
169.06453	3.1
170.07184	2.6
172.05196	2.1
173.04594	3.4
173.05983	45.2
174.06718	5.8
175.04050	2.1
175.07520	6.1
176.39784	1.9
180.07802	2.7
181.04997	2.4
181.06436	4.3
182.07867	1.8
182.09349	9.9
183.06532	76.2
183.07994	3.0
184.05385	3.5
184.07291	25.7
186.06708	4.2
187.07558	10.1
188.07970	2.7
189.05467	2.9
189.09111	7.9
190.06262	26.9
191.06999	3.1
192.07869	3.7
197.06020	3.3
198.06657	2.4
199.07481	4.1
200.08241	2.3
201.05399	2.6
202.06271	10.2
203.06956	11.7
204.47182	2.1
205.08583	42.7
207.10205	3.3
209.06107	2.1
210.08850	15.6
213.09178	3.1
215.07144	2.2
217.08586	100.0
218.07289	4.0
218.09314	18.1
219.08063	4.1
219.10056	8.2
220.08887	2.1
220.10796	9.6
223.09528	2.2
225.05040	1.7
226.06200	1.9
230.09331	4.8
231.08070	2.3
233.07814	3.4
233.09796	4.4
234.06776	3.4
234.08949	4.7
235.07506	3.2
235.09680	4.6
236.08450	3.3
236.10503	3.0
238.11884	9.5
241.08646	9.8
246.06870	2.5
247.07553	4.9
248.08212	2.8
248.10435	17.8
249.05418	2.4
249.08981	4.5
249.11238	5.8
250.07147	11.2
250.11676	4.8
251.06851	2.2
251.10713	4.9
252.07646	1.9
261.09122	8.5
263.07141	2.2
264.07748	7.6
265.08344	3.4
266.11447	3.2
268.08179	13.8
268.10822	2.6
269.08112	5.2
271.09360	2.0
277.08566	6.0
278.09366	6.6
279.10086	6.5
281.08093	3.0
287.05441	19.6
288.05832	52.1
289.05917	2.1
293.11786	4.9
295.09479	2.4
306.08743	2.6
307.09637	17.6
308.10156	4.6
309.10989	3.4
311.09137	1.9
311.12769	5.1
321.11176	5.8
329.10190	5.2
330.10883	3.5
331.11743	1.9
337.10718	2.4
338.11160	3.5
339.12253	17.4
340.12830	2.6
341.13821	2.2
344.12482	7.2
353.13721	5.6
370.13611	8.2
371.10397	3.4
371.14899	49.0
372.15317	3.3
384.15469	3.1
387.14380	9.6
389.15906	3.6
402.16522	17.7
420.05469	1.7
420.17120	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	419.2641
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
53.03926	1.1
54.94302	1.1
55.01872	5.4
55.05506	1.6
56.64786	1.0
56.96547	1.2
65.03934	2.1
67.05500	6.6
69.03431	2.0
69.07069	1.6
71.05004	1.2
71.60043	1.9
79.05475	4.0
81.03386	1.5
81.07051	10.2
83.08644	2.1
85.02896	4.8
91.05480	6.1
93.07010	5.1
95.04979	2.6
95.08611	9.9
96.86899	1.0
97.02879	1.3
97.06549	1.3
97.07207	1.1
103.05447	5.5
105.07050	8.0
107.04926	4.1
107.08584	5.5
109.10146	4.1
111.04417	1.1
115.05463	2.1
115.90477	1.0
117.80179	0.9
118.04157	1.6
119.04955	6.3
119.08564	3.7
121.02866	2.2
121.06535	2.3
121.10142	3.3
122.82607	1.0
123.04426	7.7
123.11719	1.1
125.09657	1.4
131.04932	6.2
131.08566	1.1
133.02844	1.4
133.06458	2.4
133.10110	4.2
135.04372	1.6
135.11679	2.3
137.05998	1.8
145.02893	1.2
145.06454	1.3
147.04398	27.8
147.05515	2.0
147.11708	4.8
148.05162	2.2
149.02345	1.5
149.06007	2.4
152.99782	1.0
153.01871	2.1
155.07109	1.2
159.08051	1.2
161.06030	3.3
161.13293	1.7
163.03918	6.5
163.07544	4.1
163.14847	8.3
165.12723	1.5
167.07056	12.2
168.07368	1.9
173.05933	1.3
175.14737	1.4
177.05492	5.4
181.04962	16.9
191.07018	24.8
191.17998	1.5
193.08562	1.0
203.05449	1.5
203.17958	9.2
205.08601	1.5
209.08070	8.2
209.18884	1.3
219.10133	1.7
221.18980	15.5
230.78957	1.0
239.20052	8.5
249.11336	1.2
257.21127	2.9
258.05194	1.1
264.53455	1.1
287.05490	27.2
288.05780	2.2
305.71954	1.2
313.10892	1.4
315.08499	1.6
357.13284	1.2
369.13586	1.6
401.16223	1.9
419.20444	100.0
420.15640	1.4
420.20468	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	419.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.1
57.03424	0.1
65.03931	0.2
67.05476	0.1
68.99787	0.7
70.06587	0.1
71.59750	0.1
73.02936	0.2
77.23912	0.1
79.05472	0.3
81.03407	0.1
85.02873	0.1
91.35849	0.1
95.04973	0.2
100.10071	0.1
101.59769	0.1
103.05435	0.2
105.03381	0.3
105.06982	0.1
107.04285	0.1
107.04918	0.4
109.02864	0.3
111.00797	1.1
111.04393	0.2
111.89044	0.1
115.05449	0.1
117.06994	0.1
117.90363	0.1
121.02861	3.2
121.77911	0.1
123.04411	0.2
127.03960	0.1
129.06998	0.2
131.04994	0.2
133.02856	0.5
133.06458	0.1
135.04425	0.3
135.07997	0.1
137.02335	1.2
137.05986	0.2
145.06506	0.3
147.04395	0.8
149.02371	0.1
151.03964	0.1
153.01814	4.8
157.06468	0.5
161.05957	0.3
163.03893	0.2
165.01834	2.2
167.06992	0.2
171.04424	0.3
181.01282	0.1
183.02879	1.1
185.05937	0.7
189.05447	0.2
194.02209	0.2
197.05989	0.2
199.03876	0.1
203.03473	0.1
203.07069	0.2
213.05450	1.6
229.04968	0.2
231.06482	0.9
241.04970	1.2
243.06578	0.2
257.08252	0.1
258.05243	1.4
259.05954	0.5
259.10986	0.1
269.04501	0.3
287.05472	100.0
288.05807	3.1
291.36572	0.1
401.16162	0.1
419.09711	2.8
419.18408	0.2
420.10046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0974
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
56.96577	0.4
67.01855	0.6
68.99765	0.4
69.03407	0.5
70.32161	0.3
71.04988	0.7
71.60425	0.3
73.02910	0.9
74.35906	0.3
77.45206	0.3
79.05486	0.6
81.07028	0.4
85.02879	0.7
89.03918	1.0
91.05467	0.3
95.04940	0.5
95.08646	0.4
98.97555	0.2
103.05448	0.4
105.07024	0.6
107.04943	0.8
109.10095	0.3
114.01080	0.3
117.03379	1.5
119.04951	0.3
119.08551	0.3
121.02865	0.5
123.04424	3.3
131.08575	0.3
135.04417	4.6
137.02350	1.2
145.02832	1.8
147.04384	0.9
153.01823	5.2
153.12733	0.6
157.06375	0.3
161.02382	0.3
163.03902	12.5
164.04420	0.3
167.07030	1.5
168.07368	0.4
169.07565	0.4
171.02869	0.9
177.05412	0.5
181.04985	0.8
185.05971	0.4
200.71648	0.3
209.08080	0.4
213.05525	0.4
231.06461	0.4
241.04932	0.6
269.04565	0.5
287.05487	100.0
288.05905	2.6
303.05038	1.0
325.06955	0.6
329.10007	0.4
377.01541	0.3
419.09796	1.5
419.15976	0.3
419.22488	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.1
65.03931	0.1
67.01842	0.1
68.99778	0.6
69.03444	0.1
71.15015	0.2
73.02911	0.2
79.05479	0.2
81.03371	0.1
85.02889	0.2
86.09690	0.1
91.05495	0.1
94.79275	0.1
95.04917	0.2
98.97553	0.1
105.03380	0.3
107.04974	0.6
109.02854	0.4
109.65276	0.1
111.00803	0.8
111.04477	0.1
116.98613	0.1
121.02863	3.2
122.03199	0.1
123.04411	0.2
127.03915	0.1
133.02826	0.6
135.04439	0.2
137.02344	0.9
145.06477	0.3
147.04411	0.7
151.03871	0.1
153.01822	5.0
157.06511	0.5
157.07582	0.1
161.06000	0.2
165.01839	2.0
167.02161	0.1
167.07031	0.2
169.06439	0.2
171.03047	0.1
171.04466	0.3
175.03885	0.1
183.02910	1.1
185.05988	0.5
189.05478	0.2
191.03481	0.1
197.06004	0.2
199.03793	0.1
203.07045	0.2
213.05452	1.8
221.03337	0.1
229.04817	0.2
231.06543	0.6
237.02692	0.1
241.04901	0.9
243.06633	0.1
245.04468	0.2
258.05249	1.4
259.06061	0.5
269.04462	0.2
286.21674	0.1
287.05487	100.0
288.05811	2.0
341.08893	0.2
394.74969	0.1
419.09689	3.7
420.09467	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	419.097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86759	0.1
53.19809	0.1
54.04380	0.1
57.03411	0.1
62.40725	0.1
67.01884	0.1
68.99780	0.6
70.45312	0.3
73.02934	0.1
73.90321	0.1
79.05473	0.2
81.03394	0.2
85.02914	0.1
89.57797	0.1
95.04939	0.1
97.02908	0.1
105.03399	0.5
105.06965	0.1
107.04931	0.4
109.02859	0.3
111.00810	1.0
111.04441	0.2
115.05431	0.2
121.02864	3.0
127.03925	0.1
129.06987	0.2
133.02869	0.7
135.04443	0.1
137.02328	1.1
141.06960	0.1
145.06456	0.4
147.04420	0.6
153.01828	5.3
157.06512	0.4
161.05989	0.2
165.00520	0.2
165.01840	2.2
171.02859	0.1
171.04390	0.3
175.04005	0.1
183.02895	1.1
185.05923	0.6
189.05437	0.2
197.05998	0.1
199.03889	0.1
203.03450	0.1
203.07039	0.2
213.05469	1.9
229.04919	0.2
231.06549	0.9
241.04959	1.1
242.05644	0.1
243.06483	0.1
258.05222	1.7
259.06052	0.7
269.04446	0.3
287.05487	100.0
288.05835	3.0
288.08344	0.1
394.74231	0.1
419.09714	4.6
420.10141	0.2
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	Unknow
Peak:m/z	Relative Intensity
50.53183	0.1
53.03912	0.1
54.65000	0.0
55.01864	0.1
60.68932	0.1
65.03923	0.2
67.01849	0.1
68.99439	0.1
68.99779	0.7
69.32772	0.1
69.33186	0.4
70.09101	0.1
71.01334	0.1
73.02899	0.1
78.27446	0.0
79.05459	0.2
81.03394	0.1
84.18665	0.1
87.56250	0.0
95.04958	0.2
105.03405	0.5
107.04957	0.5
109.02875	0.3
111.00800	0.9
111.04428	0.2
115.05465	0.0
119.04979	0.1
121.02863	3.1
121.06479	0.1
127.03876	0.1
129.06975	0.2
133.02853	0.6
135.04387	0.2
135.08064	0.1
137.02339	1.0
141.06972	0.1
145.06503	0.3
147.04385	0.8
151.03856	0.1
153.01819	5.1
157.06464	0.6
161.05943	0.2
163.03929	0.1
165.01833	2.2
169.06464	0.1
171.03076	0.1
171.04367	0.3
175.03917	0.1
183.02885	1.1
185.05943	0.6
189.05428	0.2
197.06067	0.3
199.03851	0.1
203.03401	0.1
203.07040	0.2
213.05463	1.5
214.78720	0.1
216.04167	0.1
229.04901	0.1
231.06529	0.8
241.04932	1.3
243.06595	0.1
258.02496	0.1
258.05258	1.3
259.05994	0.6
263.05344	0.1
269.04422	0.3
270.05414	0.1
286.04565	0.1
287.05478	100.0
288.05801	1.8
419.09702	3.1
420.09955	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	419.097
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
52.12856	0.1
52.20730	0.0
55.01865	0.1
58.55572	0.1
64.37759	0.1
65.03912	0.1
67.01855	0.1
68.99786	0.6
69.33204	0.2
69.33624	0.3
71.01314	0.1
73.02911	0.2
79.05454	0.1
81.03392	0.1
95.04960	0.1
103.05424	0.1
105.03384	0.3
107.04955	0.4
109.02859	0.3
111.00800	0.9
111.04462	0.1
115.05421	0.1
117.06998	0.1
121.02861	3.1
121.06515	0.1
123.04410	0.1
127.03828	0.1
128.06273	0.1
129.06990	0.1
133.02870	0.5
135.04387	0.2
137.02333	1.0
141.06931	0.1
145.06516	0.2
147.04393	0.6
151.03860	0.1
153.01825	4.2
157.06477	0.5
161.05962	0.2
165.01836	2.0
169.06502	0.1
171.04390	0.3
173.05896	0.1
175.03867	0.1
183.02911	1.0
185.05974	0.6
189.05498	0.2
197.05969	0.1
203.07039	0.2
213.05458	1.7
217.04897	0.1
229.04910	0.1
231.06502	0.8
241.04916	0.9
241.34799	0.1
242.05617	0.1
243.06514	0.1
245.04318	0.1
258.05231	1.4
259.06003	0.5
263.05496	0.1
268.53708	0.1
269.04401	0.2
287.05484	100.0
288.05804	3.2
419.09717	4.7
420.10104	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
57.03431	5.4
61.02914	1.1
69.03419	2.2
69.59793	6.0
73.02913	9.0
85.02908	1.2
98.20782	0.8
111.00827	1.1
115.03894	1.3
121.02869	3.6
133.04965	1.7
137.02353	1.2
141.42839	0.7
144.56879	0.8
147.04341	1.1
153.01865	4.6
163.03922	1.7
165.01862	1.8
185.93317	0.9
213.05438	1.5
231.06522	0.9
287.05490	100.0
288.05783	1.5
347.11938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0969
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
61.02930	1.1
68.99802	0.8
69.03431	0.7
69.51440	0.8
69.51849	4.0
73.02912	12.6
95.36012	0.7
98.20787	1.2
107.04963	0.6
115.03915	0.8
121.02852	2.5
146.66695	0.7
147.04372	0.8
153.01878	4.2
165.01805	2.2
213.05458	1.6
214.27377	0.6
241.18564	0.7
257.88986	0.6
258.05219	1.1
287.05484	100.0
288.05875	3.6
404.32333	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50783	0.6
60.80583	0.6
63.22935	0.5
66.56550	0.6
69.47493	4.9
89.30314	0.6
94.93011	11.2
96.44984	0.6
105.48560	0.5
120.94551	1.3
126.46342	0.6
136.94017	100.0
137.94405	0.5
144.88458	0.6
148.94019	32.9
149.72369	0.6
150.95624	0.7
166.95079	63.5
178.95091	3.9
185.34871	0.7
190.95146	1.3
196.96136	20.8
208.96101	3.0
220.96162	1.5
238.97127	1.8
256.98248	15.9
395.09070	0.8
419.03506	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	417.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15792	0.6
52.28763	0.6
55.01863	1.2
55.05490	0.8
58.10033	0.6
65.03924	1.7
66.93963	0.6
67.05489	1.4
69.03400	1.1
69.07062	1.4
70.17398	2.3
71.04948	0.9
72.78584	0.6
78.04699	1.7
79.05464	2.8
81.03150	0.9
81.07048	1.8
82.04181	0.8
82.23528	0.6
85.02895	1.9
91.05449	1.7
93.03394	0.7
93.07027	1.2
95.04925	1.5
95.08594	1.5
97.02889	0.7
97.06538	1.2
103.05431	2.2
105.07025	2.0
106.04131	0.9
107.04982	4.8
107.08611	0.7
107.97277	0.6
109.10184	0.8
110.03678	0.9
115.05453	2.2
117.06998	3.5
123.04419	5.3
124.05168	2.2
125.05959	1.2
127.03652	3.5
131.04915	1.5
137.05942	1.1
145.06497	6.0
147.04337	1.8
151.03926	1.4
152.04666	1.4
153.01848	1.6
155.06027	1.1
161.05878	0.7
163.07483	1.3
167.07031	68.4
168.07423	1.7
171.06500	2.0
173.05986	8.8
181.04938	25.8
182.05325	0.7
183.06459	0.7
191.06972	4.3
195.06438	1.1
201.05565	1.0
205.08554	2.2
233.08095	4.4
235.09631	1.8
255.06413	2.6
271.05899	1.6
273.03693	0.8
301.03351	0.7
303.04910	3.1
313.16162	21.0
337.10562	0.7
355.07849	1.4
381.13583	0.8
387.14404	8.6
399.10663	2.9
417.11295	3.4
417.15430	13.5
417.20801	100.0
418.16010	1.1
418.21234	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03926	0.4
55.01856	0.6
55.05489	0.3
56.84095	0.3
60.34846	0.2
60.78195	0.3
65.03944	2.2
67.05472	1.2
69.03397	0.5
69.07042	0.4
70.15334	1.2
78.04710	3.2
79.05138	0.2
79.05493	2.9
81.03394	0.6
81.07030	0.5
82.04168	1.2
83.08605	0.4
85.02910	1.7
91.05464	1.3
93.03381	0.5
95.04965	1.9
96.05734	0.4
97.06503	0.9
98.20777	0.3
103.05470	3.1
105.03360	0.6
105.06984	0.8
106.04169	1.1
107.04954	3.7
108.02052	0.4
109.02849	0.4
109.06538	0.4
109.10140	0.3
110.03626	1.1
111.04401	0.8
115.05455	3.3
117.07013	5.6
118.04140	0.5
119.04922	0.5
119.08639	0.4
121.02855	0.3
121.06448	0.3
122.03633	0.4
123.04420	7.8
124.05215	2.7
125.05973	0.8
127.05413	1.0
130.04068	0.4
131.04939	2.2
132.05733	0.3
132.70831	0.3
133.02820	0.3
133.06456	0.4
134.03586	0.5
135.04393	0.5
137.02354	0.3
137.05927	0.8
138.03075	0.7
142.02586	0.8
143.04900	0.4
144.05583	0.4
145.06480	9.2
147.04486	1.3
147.07994	0.5
148.05186	1.3
151.03908	1.5
152.04680	2.5
153.01793	0.7
153.05530	0.3
155.04918	0.4
155.06036	2.3
156.05753	0.3
157.06509	0.3
159.08089	0.3
161.05980	0.4
163.07555	2.1
167.07031	100.0
168.07361	1.6
171.06488	1.9
173.05972	14.8
175.07527	0.6
176.04642	0.4
181.04947	34.6
182.05321	0.6
187.03987	0.4
187.07529	0.4
191.07013	8.7
192.07472	0.3
193.08441	0.4
195.06500	0.6
201.05472	0.9
203.07033	0.5
205.08562	3.3
207.06534	0.4
207.10196	0.3
209.08096	0.3
217.08504	0.5
219.10098	0.5
233.08102	7.4
235.09668	3.7
273.03918	0.6
273.07578	0.8
285.07593	0.4
301.03519	0.4
302.04016	0.4
303.05072	0.5
307.09555	0.3
313.03732	0.4
323.09167	0.5
329.10309	0.7
355.07962	0.3
355.12006	0.3
357.13098	0.3
371.15143	0.4
381.13358	0.5
385.12805	0.3
387.14362	14.5
399.10220	1.6
399.15195	0.5
417.15576	28.3
418.15936	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03932	0.5
57.15080	0.3
65.03938	1.9
66.04758	0.4
67.05479	0.8
69.03408	0.6
69.62845	0.3
71.59566	0.5
72.27720	0.3
78.04697	2.7
79.05466	1.3
81.07056	0.6
82.04175	0.5
85.02882	1.2
86.09672	0.6
91.05464	1.3
93.07052	0.3
95.04958	1.0
96.05779	0.4
97.02875	0.4
103.05451	1.7
106.04176	1.3
107.04936	2.4
110.03674	0.6
111.04440	0.8
115.05451	3.3
117.06239	0.4
117.07024	6.4
123.04429	7.4
124.05194	3.0
125.05925	0.8
127.05411	0.9
129.06897	0.4
129.51712	0.3
131.04979	0.8
133.06502	0.5
135.04439	0.4
137.06042	0.6
138.03104	0.5
142.02626	0.4
145.05374	0.6
145.06487	9.1
147.04388	0.8
147.08018	0.4
151.03905	1.2
152.04660	2.9
153.01816	1.1
155.06041	2.9
161.06131	0.4
163.07524	0.5
167.07034	100.0
168.04213	0.4
168.07365	1.5
171.06551	1.7
173.05984	15.5
173.07523	0.7
175.07503	0.7
177.05508	0.4
181.04950	22.9
190.06339	0.3
191.07104	2.0
195.06525	0.6
201.05486	0.6
205.08618	3.5
233.08078	7.2
235.09610	3.6
286.89102	0.4
295.09421	0.3
352.93155	0.3
355.11581	0.4
373.08151	0.7
387.09332	0.6
387.14368	13.4
388.14664	0.9
394.19870	0.4
417.15463	27.2
417.24332	0.9
418.15775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1178
Annotation	Daidzin
Peak:m/z	Relative Intensity
54.91595	0.1
55.01862	0.2
55.05485	0.2
65.03924	0.3
65.20078	0.1
67.01852	0.5
67.05493	0.2
67.69495	0.1
68.99797	0.5
69.03416	0.3
69.07050	0.4
71.30495	0.3
74.17281	0.1
74.43320	0.2
75.90258	0.1
78.04682	0.5
79.05489	0.5
80.19176	0.1
81.03409	0.2
81.07043	0.4
85.02895	0.5
91.05473	0.4
93.07026	0.2
95.04935	0.5
97.02899	0.2
97.06502	0.4
103.05460	1.4
105.03378	0.4
105.07020	0.4
106.04103	0.2
107.04937	0.6
107.08586	0.2
109.02822	0.2
110.03643	0.2
111.04430	0.1
115.05405	0.3
116.98598	0.2
117.07001	0.6
118.23939	0.2
119.08533	0.2
123.04410	0.9
124.05164	0.3
125.05928	0.2
125.58870	0.1
127.03914	0.2
129.03354	0.7
133.10185	0.2
143.36060	0.1
145.06459	1.2
147.04388	0.6
152.04703	0.1
153.00560	0.2
153.01807	3.5
153.68945	0.1
155.05978	0.3
163.07516	0.2
167.07027	12.5
171.02902	0.5
171.06512	0.3
173.05989	1.6
181.04944	4.7
181.06505	0.3
187.07552	0.3
191.06931	0.9
195.06560	0.2
201.05389	0.2
205.08624	0.5
209.05925	0.5
213.05423	0.4
231.06570	0.3
233.08101	0.9
235.09644	0.6
244.91919	0.1
255.06491	100.0
256.06857	1.9
273.03915	0.2
303.05106	0.3
321.87033	0.2
387.14392	1.9
399.10394	0.9
417.11179	1.0
417.16010	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	417.1171
Annotation	Galangin 3-rhamnoside
Peak:m/z	Relative Intensity
59.52956	0.1
65.03931	0.2
68.99779	0.4
71.02338	0.3
71.04961	0.2
83.16765	0.1
86.75171	0.1
103.26306	0.1
107.04943	0.2
111.04417	0.2
117.07036	0.2
121.02853	3.1
123.04427	0.2
141.06963	0.4
144.05702	0.2
145.06509	0.9
147.04301	0.1
147.08104	0.2
149.02327	0.3
152.04601	0.1
159.04396	0.2
165.51236	0.1
167.07033	3.1
169.06453	0.7
173.05923	1.0
181.04919	0.7
187.07622	0.1
197.06006	0.9
201.05565	0.1
215.07059	0.7
225.05452	0.5
226.06229	0.4
226.34932	0.1
233.08026	0.2
242.05621	0.2
243.06464	0.6
271.05984	100.0
272.06314	2.1
293.07968	0.1
301.05945	0.2
387.14319	0.5
399.09976	0.1
417.10608	0.3
417.15915	0.8
429.85565	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	417.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.7
57.03430	0.9
57.86567	0.7
61.02898	1.0
69.03421	2.0
70.65137	2.3
71.04975	0.7
73.02912	1.4
81.03401	2.1
83.04935	0.8
84.04495	1.0
85.02898	3.2
97.02908	4.7
98.98450	4.6
109.02859	3.6
110.84776	0.8
119.01910	2.0
120.95430	1.5
131.01883	1.5
138.96396	1.2
145.03435	1.0
145.64822	0.8
154.94199	0.8
156.97469	20.5
157.03462	1.5
161.02986	1.4
162.07516	0.9
163.04514	0.7
174.98534	38.4
175.04524	0.9
175.98607	1.3
180.97476	3.3
182.99043	9.8
185.02963	0.8
194.99055	9.3
198.98528	30.9
199.98558	1.1
201.00053	15.4
202.05696	0.8
202.98006	1.0
203.04007	1.4
210.98555	1.2
213.00085	44.2
214.00294	1.3
216.99586	10.2
217.99709	0.9
221.05087	1.4
222.98445	4.6
225.00014	1.7
231.01138	8.9
236.15427	0.7
237.00159	1.3
238.98395	0.9
239.57449	1.1
240.99545	5.1
254.74203	0.8
259.00635	2.2
264.99603	1.8
275.92560	0.9
283.00592	2.6
294.93036	2.0
301.01678	100.0
302.01849	5.5
307.52124	0.9
313.93945	0.9
319.02753	12.8
321.97141	0.9
336.89075	1.0
337.03958	0.8
339.03262	1.0
342.04678	1.1
350.88770	1.5
353.97150	0.8
356.88736	8.6
357.04303	75.9
357.88876	2.0
358.04550	4.4
368.90213	1.1
374.89642	6.1
375.05350	7.8
375.89871	1.5
381.06573	0.9
392.89990	5.1
393.06619	1.6
393.90240	1.3
399.88065	0.8
410.90967	1.2
414.88019	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87299	5.0
55.01856	16.2
56.42167	4.5
56.96565	11.5
57.03405	5.3
59.89471	5.9
61.02912	7.8
69.03415	12.2
70.47516	9.8
70.47910	10.4
72.08138	21.5
76.76397	4.6
80.05033	5.3
83.01315	11.2
85.02892	24.9
86.09712	15.7
91.03827	5.0
91.05448	13.7
95.04943	6.1
97.02883	4.9
98.97579	8.0
103.05463	9.1
107.04955	8.7
108.04462	6.5
109.02888	7.8
115.05457	5.5
118.06525	5.2
119.04941	10.9
121.06489	5.0
122.06010	5.8
124.03944	8.2
131.04892	14.2
132.04372	7.8
133.02843	9.3
134.06023	6.0
135.04422	8.0
137.05919	9.5
144.04434	5.7
145.02869	6.4
145.06464	6.9
146.05966	10.8
147.04381	34.2
148.03897	17.5
150.05489	7.8
153.01796	11.7
158.05991	7.1
160.03957	9.9
160.07584	5.8
161.04700	9.4
162.03067	7.7
162.05490	38.9
163.03949	6.8
170.02359	5.9
172.03981	23.5
173.06009	5.8
174.05499	21.4
175.03932	8.3
176.03453	7.9
176.07071	8.9
177.05476	14.5
178.05011	17.8
184.03911	7.4
186.05470	9.5
188.03406	50.9
188.07033	9.0
189.01912	8.6
189.04082	5.5
190.04997	65.3
191.03304	8.1
192.06442	12.4
198.05547	5.9
199.03716	6.0
200.03406	22.3
202.04988	20.8
203.03441	31.6
204.06520	12.3
205.04962	42.6
206.04468	6.7
213.00717	18.5
214.05011	16.0
215.03465	5.4
216.02911	22.1
216.06586	22.0
218.04474	33.9
220.05978	13.9
228.02846	33.9
230.04500	9.0
231.01678	6.3
232.02409	8.2
232.05989	7.9
233.04529	10.7
237.02701	7.0
242.04500	11.3
243.05283	12.5
244.06113	33.4
246.03981	26.6
248.05518	10.4
250.07063	8.2
258.07568	9.8
260.05499	12.9
261.03824	8.9
264.05066	6.4
270.04025	7.3
271.01831	6.6
278.06668	12.4
288.05078	81.3
289.03479	18.3
292.08160	14.0
302.06711	9.1
306.06033	73.1
308.07587	6.3
310.09207	22.3
311.92725	5.6
320.07544	31.9
321.06021	72.3
336.10632	9.2
338.08710	100.0
356.09863	6.4
380.09775	12.9
398.06100	6.6
398.10822	69.4
416.11700	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01855	3.3
55.05504	55.0
56.96548	3.7
57.03181	1.9
57.03433	20.4
57.07067	28.7
61.02909	4.7
67.05167	2.9
67.05499	44.4
68.99776	2.4
69.03405	5.1
69.07059	81.8
70.72076	1.9
71.04971	6.9
71.08624	18.2
71.60008	1.6
73.02903	2.7
77.88010	1.9
79.05479	27.5
81.03369	2.4
81.06576	3.5
81.07049	61.9
81.65759	2.1
83.04966	5.1
83.08611	62.7
85.06529	3.6
85.10139	8.3
87.00822	29.3
91.05463	12.8
93.07032	32.2
95.04952	2.4
95.08598	50.5
97.06519	12.6
97.10162	42.1
98.97560	1.7
99.08073	2.9
104.58440	1.6
105.01842	13.5
105.07022	4.3
107.08580	22.8
109.10155	22.4
111.08052	8.0
111.11684	8.1
115.07585	3.2
117.06998	3.2
119.08567	73.8
121.10130	31.7
123.11691	15.7
125.05982	5.8
125.09607	7.3
125.13250	2.8
129.09084	2.3
131.08525	2.8
133.10123	3.1
135.11679	25.3
137.13293	8.4
139.07529	4.7
139.11162	5.3
143.03366	7.8
145.10117	2.2
149.13231	19.0
150.41309	1.7
153.09085	2.1
153.12683	5.0
157.12172	2.9
161.04391	1.8
163.14767	9.7
167.14282	3.3
171.13800	2.0
177.16354	3.7
181.15764	2.8
185.15308	2.7
199.17021	2.5
219.21071	42.3
237.22092	100.0
238.22498	2.6
243.21156	2.7
255.23155	66.3
256.23547	2.2
261.22150	3.1
269.10571	2.9
274.97580	2.1
277.21646	2.7
279.23132	3.6
292.98566	2.0
295.22592	2.0
297.24207	2.3
311.25739	5.5
323.22079	8.4
329.26755	15.0
341.23221	18.9
359.24347	2.5
370.73785	2.2
384.70425	1.8
397.25766	11.5
415.21707	2.4
415.26828	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	415.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01855	5.0
55.05510	55.7
56.96558	2.0
57.03434	16.7
57.06823	2.4
57.07074	29.5
59.16140	1.7
60.29557	1.4
61.02898	2.0
67.05503	37.8
67.93202	1.5
68.99776	3.4
69.07067	78.6
71.04984	6.8
71.08628	18.0
74.88580	1.3
79.05494	24.9
81.06570	3.2
81.07055	59.0
83.04965	5.2
83.08135	2.7
83.08617	53.9
85.06540	3.1
85.10194	7.8
87.00828	34.0
87.08085	2.0
91.05472	9.9
93.07042	27.3
95.04994	1.9
95.08601	45.6
97.06514	12.1
97.10172	37.5
98.20753	2.4
99.08085	1.8
102.52702	1.4
104.06263	2.0
105.01862	13.6
105.07018	3.3
107.08595	22.8
109.10146	18.7
111.08073	7.4
111.11697	8.9
115.03999	2.3
115.07541	2.5
119.08578	86.4
120.08912	1.8
121.10137	26.9
123.11701	14.3
125.05956	3.5
125.09635	7.1
125.13250	3.2
135.11699	22.5
137.11646	1.6
137.13246	8.6
139.07535	4.3
139.11182	6.5
139.14822	1.8
143.03366	5.5
143.10666	2.1
147.11621	1.7
149.13264	15.4
151.14812	2.7
153.12718	4.1
157.12219	3.2
159.11772	1.8
163.14815	7.6
167.14371	3.4
171.13831	2.4
174.94180	1.6
177.16454	2.3
181.15924	1.8
185.15367	2.5
217.19551	2.0
219.21077	37.7
233.22795	1.8
237.22118	100.0
238.22485	3.0
243.20927	1.6
255.23187	64.7
273.13754	3.5
277.21600	3.3
279.23087	4.3
295.22736	2.8
297.24283	3.7
311.25757	4.6
323.22165	12.5
329.26794	12.1
341.23230	11.7
359.24084	3.6
397.25888	9.7
415.26819	41.5
416.27051	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	415.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05492	0.5
57.03424	0.4
65.03914	0.5
67.05492	1.0
67.69501	0.3
68.99786	4.0
69.03430	1.0
69.07063	0.7
70.06588	0.8
70.69994	0.5
70.70337	1.1
71.04996	0.5
73.02921	0.6
79.05493	2.1
81.07063	1.3
83.04971	0.4
85.02900	2.0
85.06577	0.4
86.09708	0.6
91.05452	2.0
92.84005	0.3
93.07047	1.2
95.04961	0.8
95.08606	0.7
97.02895	1.1
97.06532	3.1
98.97594	0.4
103.05435	0.7
105.03412	0.4
105.07024	1.8
107.04968	1.9
107.08594	0.7
108.08166	0.5
109.02864	0.8
109.06489	0.5
111.00827	0.8
111.08105	0.4
115.05428	0.5
117.06990	0.4
119.04957	0.9
119.08549	1.1
121.02860	0.6
121.06525	1.0
123.04444	1.1
123.08051	0.6
125.06010	0.6
127.03899	1.6
131.04918	0.6
133.06454	1.1
133.10120	0.6
137.02348	1.2
137.05962	2.8
145.06525	0.9
147.04402	0.9
147.07890	0.4
149.06046	1.9
151.03935	1.0
153.01822	14.7
154.02209	0.5
161.05962	0.8
163.03835	1.8
163.07565	0.6
165.01904	1.2
165.05508	0.4
167.07051	1.0
167.10666	0.7
171.04391	0.6
171.08026	0.5
172.88014	0.4
173.06032	1.0
173.13239	0.7
175.03938	0.4
175.07555	0.6
177.05516	1.8
178.06200	0.9
179.03401	4.8
181.04970	2.4
183.02861	0.6
185.05969	0.4
187.07510	0.5
187.47038	0.4
189.05504	1.1
191.03412	1.1
191.06993	1.2
195.06557	0.6
199.07436	0.5
201.05508	1.6
203.03380	0.7
203.05222	0.9
205.04997	1.3
206.07260	0.5
207.02873	5.1
213.00754	0.6
213.05450	0.6
214.97845	0.5
215.07065	0.7
217.04939	6.9
217.08525	0.5
217.15805	0.6
218.05426	0.7
219.02934	0.7
219.06485	0.4
220.03476	0.5
221.04604	0.8
231.06535	1.6
233.04285	0.5
234.06725	0.8
235.02388	0.7
235.16914	3.3
238.67560	0.4
241.05026	0.6
245.04427	1.3
245.08073	0.7
247.02357	0.9
251.06992	0.6
253.17926	2.1
255.06473	0.5
259.05957	1.1
261.04010	1.6
262.06311	0.5
269.07996	0.5
271.06009	0.5
273.07629	1.3
277.08646	0.9
279.06577	0.5
281.04312	0.5
283.05899	0.8
285.04153	0.5
285.07468	0.5
286.04819	0.5
287.05457	1.1
289.03506	1.2
290.05957	0.8
290.19128	0.4
295.09338	0.5
297.03973	1.2
297.07611	2.5
301.06982	2.2
303.04993	0.8
303.08716	0.5
305.08023	1.4
309.07544	0.7
309.11124	0.4
311.05472	0.9
313.03314	0.5
315.05246	0.5
315.08481	2.1
317.03134	2.3
318.03683	1.5
319.04477	0.6
325.07062	5.4
325.10760	1.4
327.05042	1.5
329.06628	1.3
337.10657	4.0
341.10400	0.7
342.07455	1.0
343.08093	0.9
351.08713	0.7
353.06583	2.2
355.11935	0.6
355.15903	0.9
369.09576	0.8
371.07611	39.6
372.07990	4.6
373.16959	0.5
377.01746	0.8
379.08124	0.5
397.09113	2.0
408.16953	0.5
415.10413	18.9
415.22998	100.0
416.10550	2.4
416.23270	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	415.1024
Annotation	Premithramycinone
Peak:m/z	Relative Intensity
52.52644	0.7
53.03937	1.2
55.01870	1.2
55.05522	1.9
67.01869	1.9
67.05482	1.1
67.25880	0.7
68.99787	15.1
69.03406	1.7
69.79570	4.2
70.41011	0.8
70.41412	0.9
71.62740	0.7
79.05499	4.3
79.07394	0.9
81.07043	2.0
83.04979	2.1
83.59308	1.0
85.02908	1.2
91.05476	6.8
93.07030	1.6
95.04964	2.4
97.02888	1.3
97.06502	2.6
98.21553	0.9
103.05466	1.4
105.03407	1.1
105.07001	3.2
107.04964	5.5
107.08652	0.9
109.02911	1.2
109.06490	2.2
111.00794	2.5
115.05454	2.8
117.07026	2.1
119.04925	3.7
119.08585	1.7
121.02866	1.1
121.06546	1.7
123.04424	5.2
126.03208	0.8
127.03903	3.4
128.06230	1.3
129.07001	2.5
130.66147	0.8
131.04942	1.4
131.08577	2.3
133.06505	1.8
134.03577	0.9
135.08002	1.1
137.02328	4.0
137.06003	4.6
143.08539	1.1
145.06468	2.6
147.04408	7.0
147.08041	1.3
148.04773	1.1
149.02325	1.7
149.06003	4.0
153.01823	64.4
154.02124	1.1
155.06079	0.8
157.06500	1.8
159.04335	0.8
159.08046	2.3
161.05968	3.6
163.03865	4.6
165.01892	2.8
165.05493	1.5
167.07106	1.1
169.06500	2.1
171.04375	1.3
171.08072	1.7
173.05980	4.0
174.06822	1.7
175.03885	1.8
175.07539	3.4
177.05426	6.7
178.06265	3.4
179.03406	13.9
179.07114	1.0
181.01375	1.5
181.04955	1.2
185.05910	1.5
187.03909	1.0
187.07526	2.0
189.01791	1.4
189.05461	5.2
189.09053	2.6
191.03412	2.0
191.07036	2.2
195.02916	1.7
197.06053	2.1
197.09671	1.0
198.06750	1.1
199.07559	2.0
200.04584	1.6
201.01907	1.7
201.05405	0.9
201.09175	1.8
202.02718	1.2
203.03362	3.2
203.07037	2.6
204.07788	1.7
205.04971	3.0
205.08603	1.7
207.02896	17.6
207.04713	1.5
208.82463	0.8
213.05470	1.8
213.09074	1.8
215.03506	1.4
215.07059	3.0
216.04224	1.5
217.04948	18.1
217.08585	2.8
219.02852	1.7
219.06577	1.4
219.10193	2.9
223.02452	1.4
225.05481	1.5
225.09106	1.2
227.07094	1.1
228.04202	1.0
229.01445	2.0
229.04985	2.0
229.08527	1.2
231.06465	4.3
233.04456	1.2
239.07005	1.5
241.04948	1.6
241.08632	1.2
243.02762	1.6
243.06500	10.3
245.04471	2.9
245.08086	2.4
247.02385	2.4
257.04425	1.0
257.08170	2.7
259.06113	2.6
261.03738	0.9
261.11472	0.9
264.67468	0.9
269.04459	1.6
271.05920	4.3
273.03976	2.6
273.07620	3.1
273.11301	2.3
277.08456	1.1
279.06445	1.1
281.07932	1.1
285.04358	1.3
285.07639	3.0
286.04745	1.8
287.05493	3.4
289.03394	3.3
297.03940	4.6
297.07578	5.6
299.09192	1.9
301.03729	1.6
301.07068	4.6
303.08475	1.9
311.05560	1.7
313.03500	2.1
313.07001	1.6
314.03989	1.7
315.08694	1.5
317.02829	2.0
318.03696	1.8
319.04459	2.3
322.04776	1.1
323.09256	2.5
325.03427	1.2
325.06955	11.1
327.05121	1.9
327.08698	1.2
329.02884	1.1
329.06451	2.2
329.10175	1.3
342.07535	2.3
343.04370	1.8
351.08722	4.8
353.06564	2.2
355.04361	1.1
369.09836	1.2
371.07611	100.0
372.07950	3.3
379.08087	2.3
397.09171	65.3
397.16486	3.9
398.09598	2.1
415.10214	66.6
415.22833	3.5
416.10712	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	415.1024
Annotation	Premithramycinone
Peak:m/z	Relative Intensity
55.01869	0.6
55.05489	0.9
55.78842	0.5
56.96528	0.6
57.03408	0.8
67.01816	0.7
67.05470	0.7
68.99791	10.5
69.03389	2.0
70.04144	1.4
70.04546	1.8
72.08119	0.6
79.05489	3.1
81.03398	0.8
81.07016	1.7
83.04967	0.8
85.02857	1.9
91.05460	3.5
93.07005	2.5
93.07532	0.6
95.01275	0.6
95.04932	2.1
95.08576	0.7
97.02872	0.8
97.06512	1.3
98.97556	0.6
100.11206	1.1
103.05438	1.2
105.03316	0.7
105.06995	1.3
107.04953	4.9
107.08559	0.8
108.08067	0.7
109.02854	0.9
109.06461	0.7
111.00748	1.6
115.05421	1.4
117.07008	1.3
119.04903	1.8
119.08554	0.9
121.02837	1.2
121.06462	1.5
123.04438	1.4
123.24780	0.6
123.63934	0.5
127.03874	1.8
128.06139	1.7
129.06973	2.2
131.04893	0.7
131.08530	2.3
133.06418	1.1
135.11649	0.8
137.02278	2.1
137.05980	5.6
141.06934	1.6
144.05666	0.6
145.06433	2.0
147.04372	1.9
147.08115	0.6
149.02319	1.0
149.05972	4.4
151.03877	0.9
151.07536	1.2
153.01823	41.1
157.06477	0.9
158.07204	1.0
159.08022	2.1
161.05972	3.1
163.03932	3.1
163.07460	1.2
165.01826	2.5
167.07048	1.0
169.06514	1.0
171.04343	1.4
171.08119	0.7
173.05957	1.9
174.06731	2.7
175.03778	0.9
175.07547	1.6
177.01839	0.9
177.05469	5.8
178.06238	3.6
179.03407	8.7
179.06963	0.9
181.01338	1.0
183.02817	1.1
183.15767	0.7
185.05956	0.6
185.09578	0.6
186.06793	0.7
187.03873	0.8
187.07462	2.1
189.05518	3.3
189.09091	4.2
191.03204	0.8
191.06985	2.7
197.09518	0.6
198.06740	0.9
199.07510	1.6
201.05400	1.5
201.09059	2.2
202.02560	0.7
203.03423	1.3
205.04919	4.7
205.08511	0.7
207.01204	0.5
207.02887	11.9
213.05408	0.7
213.09134	1.6
215.03352	0.9
216.04208	0.9
217.02870	1.1
217.04953	18.1
217.08542	2.3
219.06470	1.6
219.10155	2.3
225.09186	0.7
227.06935	1.1
229.05014	1.0
229.08594	1.1
231.06490	2.4
231.10097	0.8
233.04300	0.6
235.16898	1.8
241.04907	1.1
243.06473	2.6
243.10143	1.1
245.04288	1.6
245.08144	1.9
246.04994	1.4
249.09087	0.8
251.06882	0.6
253.05023	0.6
253.18034	1.7
255.06662	1.2
255.10124	0.8
257.07950	1.4
259.05984	2.6
269.04523	1.3
269.07913	0.9
271.05933	2.4
273.03857	2.2
273.07794	2.9
273.11063	3.4
281.11588	0.7
283.06079	1.1
283.09579	0.7
285.03903	1.5
286.04562	0.7
287.05487	3.5
289.03351	1.5
297.03903	4.3
297.07562	5.8
299.05472	1.2
301.03720	1.0
301.07104	3.9
303.08655	1.6
305.06717	1.0
309.07452	1.1
309.11078	1.1
310.04538	0.8
311.05673	1.2
313.03387	1.5
313.06885	1.0
314.04150	1.3
315.05109	1.1
315.08640	0.9
317.03012	0.9
319.04459	1.0
323.09009	0.6
325.03516	1.1
325.07089	9.3
326.07867	0.7
326.11551	1.8
327.05020	1.3
329.03027	1.0
329.06519	2.0
337.07333	0.7
339.05081	0.7
340.12903	1.2
342.07401	2.6
343.04510	0.8
351.08710	1.6
353.06403	3.1
354.06848	0.7
371.07611	100.0
372.07846	2.9
379.08292	0.9
397.09229	10.5
397.16571	4.7
415.10223	51.8
415.17392	2.1
415.22748	15.5
416.10718	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	415.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47937	9.6
55.93519	13.2
56.96556	30.0
70.09074	9.8
71.59043	10.5
73.31976	9.8
85.02903	30.5
86.09655	10.8
95.04971	11.3
97.02895	18.9
98.97568	32.0
107.04953	66.7
108.61735	10.5
116.98602	11.0
134.99702	20.7
147.04419	27.1
153.01836	43.1
170.93370	12.8
178.94241	11.6
219.01755	15.3
220.86749	11.6
237.02838	32.8
313.02695	14.0
415.10062	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	415.1004
Annotation	3'-Deoxyderhamnosylmaysin
Peak:m/z	Relative Intensity
59.89459	7.0
61.02918	14.4
69.03414	11.2
79.83600	6.1
85.02909	14.9
98.97568	9.3
116.98631	7.4
119.01885	9.9
123.98568	8.0
127.03939	12.0
128.02246	9.2
128.98630	6.9
142.70273	8.1
190.57774	8.5
213.03246	15.3
231.04655	7.6
235.06122	6.9
294.06003	8.4
298.12790	6.8
305.01465	7.5
415.05673	8.9
415.10062	100.0
426.92813	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	413.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.9
70.75492	2.3
81.03370	1.1
85.02887	2.5
87.18221	1.1
97.02910	1.7
101.32082	1.0
113.02148	1.9
134.99747	1.7
136.06183	2.0
136.86919	1.1
146.99660	1.3
153.01854	2.8
185.04279	1.4
220.01894	1.2
237.02702	1.5
413.14304	100.0
414.14435	2.2
438.08133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.178
Annotation	Fluocinolone
Peak:m/z	Relative Intensity
57.71051	0.3
60.37732	0.3
61.91749	0.3
61.97320	0.3
67.05488	0.3
69.03419	0.4
69.25520	3.6
70.06572	0.4
71.04959	0.6
85.02892	1.5
87.04443	0.4
91.05474	0.9
95.99523	0.3
97.02872	0.7
98.97580	0.7
105.07047	0.3
105.18089	0.3
109.06523	0.4
116.07096	0.7
119.01908	0.5
119.08569	0.6
147.11635	0.7
153.01794	0.5
156.44337	0.3
161.02959	0.9
166.52640	0.3
203.05247	0.9
207.08093	0.3
209.10294	0.5
227.56190	0.3
233.10201	1.1
237.02777	0.3
237.84669	0.3
251.11407	1.8
269.12378	3.1
293.12122	1.6
311.10074	0.5
311.13379	4.0
413.17609	100.0
414.18106	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	413.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04516	0.5
62.61087	0.5
68.12220	0.5
69.45347	1.0
69.45750	4.1
70.06599	0.7
74.31140	0.5
77.25876	0.5
82.24255	0.5
85.02917	0.9
88.03945	0.4
90.23759	0.4
91.05444	0.6
94.06539	0.9
97.02871	0.8
98.97600	0.6
107.04963	0.6
120.06564	0.5
123.04349	0.5
132.04404	0.6
136.06178	9.2
146.05989	2.0
153.01831	1.8
158.04509	1.2
162.04109	5.3
163.03889	0.5
223.06209	0.5
227.07649	0.9
251.10469	0.7
281.09933	3.7
294.04044	0.4
304.39471	0.5
353.43869	0.5
413.14175	100.0
414.14413	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06306	0.5
56.96549	2.2
57.03428	0.6
69.03413	1.4
70.06573	0.8
71.26025	1.3
85.02876	2.5
87.05575	0.9
97.02902	1.2
98.97557	1.6
116.98618	0.8
128.98598	0.8
134.99661	0.7
139.03891	0.8
146.99571	1.1
147.04398	1.1
153.01772	1.5
156.32660	0.6
158.39825	0.6
163.03941	1.1
192.00551	0.6
201.00729	1.8
204.34006	0.6
219.01662	1.2
233.11705	0.7
237.02792	1.5
353.08975	2.0
413.10455	100.0
414.10995	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85088	1.2
71.04989	0.4
85.02894	0.8
87.90585	0.4
92.64629	0.4
97.39816	0.5
122.13953	0.4
137.21118	0.4
150.96738	0.4
153.01820	1.0
201.00760	0.7
242.99416	0.4
251.10281	0.4
353.09048	0.6
413.10455	100.0
414.10852	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	34.4
55.05500	7.6
56.96559	100.0
57.03432	32.4
58.06594	41.6
59.04981	7.5
59.21510	6.0
61.02914	21.0
64.41276	6.3
68.39389	5.9
68.99766	8.8
69.03409	23.8
70.06609	7.3
70.14566	6.9
70.95748	15.2
71.01353	9.1
71.04990	41.3
73.02911	20.9
74.97636	6.7
76.07635	8.7
78.70634	6.2
81.03387	7.6
83.01338	30.0
84.96030	19.9
85.02888	60.2
87.04462	31.9
88.99168	7.2
91.05470	10.1
95.01321	16.5
97.02884	30.5
97.96838	7.4
98.97552	35.3
99.00817	11.4
99.04442	17.0
101.02382	33.9
103.02447	11.8
107.04948	24.0
110.97533	9.1
111.00809	40.0
111.04440	6.8
113.02338	9.2
115.03926	47.2
116.98615	36.6
118.01005	7.6
119.01901	10.1
120.23866	7.1
121.03489	13.1
123.04403	9.8
127.03906	26.6
128.98589	21.4
129.01801	33.0
129.60385	7.0
131.01900	19.9
131.03325	8.6
134.99651	22.2
141.01840	9.3
143.00145	18.7
143.03400	37.7
146.99637	23.5
147.03017	7.8
150.99149	9.7
153.01828	31.0
157.01343	38.5
159.02902	15.1
160.97668	8.1
161.01154	20.7
161.02972	7.5
161.04456	11.1
165.00728	16.3
169.00180	11.0
171.02870	28.1
173.01183	10.7
174.99103	12.5
175.02588	8.7
177.00700	8.9
181.01755	7.4
184.04852	7.3
189.03938	95.0
190.98544	12.3
193.00172	32.6
193.01759	11.7
195.04996	15.2
201.00719	18.0
206.03752	7.8
207.05042	12.0
211.02762	30.9
219.01703	15.6
219.04932	8.0
237.00467	8.4
237.02774	21.3
241.03674	7.0
242.07230	18.6
251.04431	12.1
253.05672	11.8
255.01575	12.0
255.05060	14.0
255.79073	7.5
269.03180	6.5
269.05536	55.2
271.04459	9.6
275.04080	9.6
278.06421	7.6
279.07202	9.6
284.53714	7.3
287.06497	18.5
299.03735	9.8
303.03467	31.7
313.05600	8.7
315.03482	8.1
327.03595	11.3
329.05026	17.4
345.04190	15.3
359.05914	78.7
377.07047	34.5
395.08105	12.4
413.10339	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	56.5
57.03440	7.9
69.03422	8.5
70.06581	3.5
71.04974	10.7
71.57933	3.5
71.58336	4.2
73.02914	6.3
73.52089	3.6
74.70115	3.5
75.90383	3.8
84.96028	15.9
85.02905	21.0
95.27922	3.4
97.02906	4.3
97.96818	6.3
98.97583	30.3
100.99146	5.8
101.02374	3.5
102.59675	3.7
106.91061	4.2
107.04945	12.3
110.97547	5.8
116.98612	16.7
119.00188	5.8
119.01886	9.2
121.03471	4.0
127.03951	6.8
127.72212	4.2
128.98608	9.9
129.01830	3.4
131.00162	9.5
131.01909	6.6
134.99649	9.0
136.06134	4.5
143.00121	18.5
143.03378	4.0
146.99673	8.1
149.01213	7.2
157.01588	4.5
161.01221	27.6
161.02516	4.3
170.99760	4.6
173.01236	9.0
174.99229	5.6
175.02763	5.2
177.00673	7.3
178.04926	15.7
181.03453	4.9
183.05055	5.0
189.03876	18.4
191.02292	16.1
193.00198	4.7
195.04842	4.4
201.00784	5.6
207.04980	4.8
209.03192	4.8
211.02843	5.8
219.01733	8.1
233.03349	5.3
237.02776	9.8
242.07251	24.2
251.02084	6.5
251.04353	26.0
251.07732	26.0
253.05560	8.5
263.03885	4.3
269.02698	7.9
269.05420	100.0
285.02402	4.1
287.06519	32.1
303.03296	4.3
323.06223	5.0
347.50491	4.0
359.06116	4.6
369.05743	6.4
395.08243	5.2
413.08759	74.0
414.17944	4.0
431.12973	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	411.1985
Annotation	diflorasone
Peak:m/z	Relative Intensity
51.12073	0.4
64.60730	0.4
64.91983	0.5
69.65266	0.5
71.44369	1.0
95.93997	0.5
110.07034	0.5
148.11206	0.6
153.01846	4.0
154.02138	2.3
250.51303	0.5
260.06274	0.6
399.94162	0.4
411.19870	100.0
412.20291	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	411.1988
Annotation	diflorasone
Peak:m/z	Relative Intensity
66.08799	0.3
70.06564	0.6
70.76192	1.2
95.04944	0.5
109.10098	0.4
119.08574	0.5
121.39310	0.4
137.14708	0.4
187.06990	0.4
203.05257	4.9
231.13521	1.8
249.14590	0.5
264.85358	0.4
307.70935	0.4
361.03552	0.4
367.17001	0.6
381.18716	2.2
391.45618	0.4
411.19861	100.0
412.20258	5.8
431.07608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04977	0.3
71.60078	0.5
71.60790	0.3
74.62273	0.3
81.07027	0.4
82.33392	0.3
85.02872	0.4
89.06081	0.3
93.07014	0.4
95.08659	0.5
120.08151	0.5
121.02866	0.3
145.10077	0.4
153.01820	0.5
249.14587	0.3
280.56158	0.3
346.04855	0.7
347.04395	0.5
361.02316	0.6
365.01651	1.1
383.02643	0.8
404.73663	0.3
410.03973	0.3
411.19858	100.0
412.20255	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	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24007	2.8
53.60374	3.2
55.03926	3.1
55.05505	4.6
57.03434	27.6
59.04985	4.9
69.03427	89.6
70.57131	4.9
70.57469	5.5
71.04996	5.5
73.02912	13.4
75.04481	3.3
79.05488	5.3
80.76067	2.7
81.03412	8.6
83.04967	3.0
83.08585	7.5
85.02900	92.0
87.04463	57.0
87.87634	2.9
91.03941	3.8
93.11658	2.9
95.04964	4.3
97.02887	73.8
99.04496	5.0
99.08053	3.7
107.08593	3.0
115.03922	99.1
115.04752	6.0
127.03886	18.8
133.04959	100.0
134.09668	9.9
135.09933	3.4
137.02319	6.2
140.03394	5.2
141.09041	4.5
145.04961	37.5
150.07625	12.4
153.01820	10.4
154.02216	4.5
155.02248	5.5
163.06064	11.9
163.74992	2.7
167.10632	3.3
175.80481	3.0
184.33914	2.9
197.11813	3.9
199.12277	3.1
237.03009	3.3
241.07162	4.2
259.08194	3.7
263.15002	3.4
412.20123	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48637	0.5
67.05486	0.8
67.23833	0.5
71.17583	1.4
71.17929	0.6
79.05494	0.6
81.07024	0.8
85.02863	1.0
86.09683	0.7
87.10606	0.5
91.05462	0.7
93.07035	0.5
95.08567	0.8
97.02872	0.8
105.06995	0.5
107.04929	0.8
123.04427	2.9
131.08545	0.6
143.03268	0.6
145.10097	0.7
147.04343	1.2
147.09076	0.7
153.01804	4.7
154.02113	1.5
161.05956	1.1
163.03844	1.1
191.08095	0.9
192.03979	0.7
201.03690	12.0
203.05247	49.8
207.08603	0.9
231.09969	7.8
233.11470	4.2
238.04601	0.8
249.07309	0.9
249.09583	1.1
259.05798	1.5
260.06451	0.6
267.10760	2.6
291.10675	2.4
304.08893	0.9
309.11725	4.2
325.13736	0.9
393.13895	1.0
411.16019	100.0
412.16220	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	411.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22448	1.5
55.05489	1.7
56.96532	5.2
67.05475	1.8
70.01568	4.1
70.01971	5.2
72.08128	3.2
88.07906	1.7
98.21494	1.9
98.97552	3.3
120.08023	6.9
128.98544	3.7
146.99593	2.6
153.01773	2.8
171.13710	2.0
213.07770	1.9
219.01627	2.2
219.14836	3.9
237.02644	5.9
267.12607	2.7
285.13431	3.0
358.55093	1.9
411.17416	100.0
412.17743	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	411.162
Annotation	Unknow
Peak:m/z	Relative Intensity
62.22925	0.6
69.60764	3.4
69.61172	1.1
73.07677	0.5
96.77733	0.5
98.20755	1.0
129.64987	0.5
148.64726	0.6
159.82384	0.5
207.08627	1.1
230.82587	0.6
249.09535	0.8
267.08347	0.5
267.10779	3.0
309.11810	1.3
367.04990	0.6
411.16211	100.0
412.16260	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	100.0
57.03430	7.5
58.06594	11.1
61.02895	8.8
66.62059	7.4
69.03403	15.5
69.34908	67.7
69.35309	14.5
70.06590	13.1
70.98103	11.8
71.04965	8.1
74.97623	10.6
81.03407	19.4
84.08160	9.7
84.95996	11.1
85.02908	29.7
97.02902	12.7
98.97562	44.2
100.99144	24.1
104.10726	14.1
110.97556	13.6
116.98615	34.5
119.00165	12.6
119.01923	57.3
121.01678	24.0
127.03868	15.5
128.98624	32.4
130.08675	18.0
131.01907	15.6
133.03479	22.9
134.99661	11.0
135.03232	11.6
137.02969	9.0
143.00153	9.8
143.01900	17.6
145.03412	25.6
146.99658	60.8
147.03204	16.1
149.01221	9.2
149.02988	7.7
153.01804	37.2
155.01923	21.4
156.02702	9.5
157.01685	8.3
157.03513	18.5
159.03197	8.7
159.05013	10.2
160.02191	10.0
161.01231	13.9
161.02965	21.0
162.99165	21.1
163.02699	26.5
165.00708	47.5
169.03447	10.5
171.05005	21.7
172.97533	12.2
173.02945	23.2
174.99094	11.7
175.02750	20.2
175.04514	20.6
177.00706	12.9
183.01756	9.0
185.02995	22.4
187.02829	12.8
187.04439	16.4
189.00703	21.2
189.05992	9.8
190.98637	46.2
191.02185	16.8
193.00362	17.7
197.02893	13.7
197.04497	10.7
199.04482	13.0
201.00687	15.6
203.03998	17.4
205.00258	10.4
205.03824	14.1
206.98093	10.0
207.01801	11.1
207.07092	13.6
208.99701	71.4
217.05537	9.0
219.01741	25.5
221.04204	10.5
223.01427	11.0
227.00606	9.0
232.99608	15.7
235.04356	7.7
235.06644	12.1
237.02856	14.9
244.99574	10.2
245.05032	31.0
249.08321	12.5
251.00725	12.8
255.07408	9.1
258.97702	9.0
263.00729	28.3
269.05099	8.1
272.99313	13.6
276.06952	13.0
277.07745	9.2
281.01709	10.6
286.97177	16.3
291.00229	44.5
291.03680	17.6
294.08035	15.1
295.06918	11.9
295.08841	9.9
304.98221	18.7
309.01163	24.0
309.04956	32.2
318.99561	40.4
321.10464	15.4
323.10056	15.9
337.00952	19.0
351.11426	56.0
411.08560	69.7
411.13452	35.5
429.14514	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01855	0.5
62.68131	0.2
66.34653	0.1
71.01341	0.4
71.46269	0.2
71.59712	0.3
79.05515	0.2
81.03410	2.1
83.20337	0.2
91.05486	0.2
107.01282	0.3
107.04951	0.2
109.02852	1.2
109.58416	0.2
119.04926	0.2
121.02864	0.9
123.04426	0.3
127.03912	1.8
137.02330	100.0
138.02676	0.9
147.04405	0.7
149.05937	0.6
153.01822	2.4
167.38803	0.2
231.06500	8.1
231.08850	0.4
233.00732	0.2
241.66635	0.2
243.06541	1.9
258.04813	0.4
283.06012	0.9
285.07596	0.3
303.08609	13.1
304.08817	0.2
325.32816	0.2
329.06470	0.4
347.07574	3.5
347.11728	0.2
375.06976	0.2
393.08182	2.3
406.12854	0.3
410.09558	0.6
410.18573	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	410.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01859	0.6
64.81630	0.2
69.46593	1.4
69.47005	0.3
71.01343	0.3
74.81170	0.2
75.21745	0.2
78.69624	0.2
81.03404	2.1
85.02877	0.2
90.74006	0.3
96.96107	0.2
107.01304	0.3
109.02869	1.0
119.04944	0.3
121.02821	0.3
123.04431	0.6
127.03912	2.4
137.02330	100.0
138.02657	0.6
147.04419	0.7
149.05966	0.7
153.01830	1.0
165.83228	0.2
173.41136	0.2
186.25571	0.2
190.97134	0.2
193.05025	0.2
231.06511	8.3
243.06512	2.1
246.04709	0.3
258.04886	0.6
283.06009	1.0
285.07660	0.3
287.05420	0.3
288.05759	0.6
303.08612	14.0
309.78833	0.2
329.07022	0.3
347.07617	4.3
393.08029	2.5
410.09744	1.0
410.18726	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2732
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.01774	2.3
53.03936	5.0
55.05505	16.9
57.07065	8.5
59.04981	3.2
67.05502	28.3
68.06720	2.5
69.03420	6.3
69.07053	10.0
70.06818	12.8
71.04957	4.0
75.78297	2.1
79.05489	23.8
81.07054	42.0
83.04964	8.0
83.08636	3.4
85.06540	3.6
91.05474	44.0
93.07037	52.0
95.04961	63.8
95.08604	40.9
97.06526	15.5
103.05462	4.9
105.07024	98.2
107.08582	29.4
109.06518	18.0
109.10146	23.8
111.08064	4.4
115.05471	4.8
117.07002	14.1
119.00880	2.5
119.04775	2.6
119.08578	79.4
121.06496	18.3
121.10144	23.8
122.26755	2.0
123.08068	24.4
123.11684	3.6
124.08437	2.5
128.06212	3.8
129.06995	8.1
130.07774	4.1
131.08572	26.4
133.06487	7.1
133.10114	27.3
135.08057	18.2
135.11684	5.6
137.05968	5.2
137.09625	9.9
138.09215	2.4
139.11241	2.1
141.06970	4.7
142.07762	15.4
143.08553	22.3
144.09267	3.7
145.06464	4.7
145.10115	46.3
146.10730	2.4
147.08040	19.0
147.11685	46.8
149.09636	13.6
151.07539	30.5
153.01836	8.9
153.09026	3.3
154.07753	3.6
155.08563	12.5
156.09346	7.9
157.10110	25.3
159.08058	6.5
159.11681	23.5
159.34770	2.5
161.09613	10.2
161.13228	5.8
163.11195	7.9
165.06992	3.0
165.09120	43.0
167.08632	3.5
168.09335	5.4
169.10100	18.9
170.10805	4.2
171.11674	18.6
173.09613	7.2
173.13271	9.4
174.10425	3.1
175.11179	32.8
177.09152	5.0
179.08519	3.2
181.10081	6.5
181.12230	3.6
183.11644	15.6
185.09772	2.7
185.13271	8.6
187.11153	6.6
187.14850	6.4
189.12733	9.2
191.14343	3.0
193.10156	2.7
194.10863	2.8
195.11725	3.3
196.12538	2.1
197.11546	3.0
197.13235	5.2
199.11179	3.7
199.14705	3.6
201.12743	15.4
201.16307	4.5
203.14241	20.1
207.11922	3.6
207.13655	13.7
209.13271	9.4
209.15247	4.9
211.14772	11.3
213.16338	2.5
215.14337	5.8
216.15018	2.9
219.11827	2.9
219.13800	4.8
220.12566	3.3
221.15352	100.0
223.14813	3.6
225.12788	2.4
225.16458	3.1
229.15871	11.5
231.13634	5.3
233.15395	5.9
234.16083	16.9
235.16820	3.0
247.16995	3.1
251.17883	2.5
253.16026	4.5
286.19199	5.7
287.20175	12.3
299.20251	2.7
300.20782	6.3
317.21008	3.0
321.56570	2.4
329.21036	7.8
391.26212	11.1
392.26901	2.7
409.27319	91.8
410.27466	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	409.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63174	1.2
51.02385	1.3
53.03930	4.3
55.01856	1.4
55.05508	16.0
57.07068	4.9
59.04990	5.2
62.31661	1.3
65.03970	1.6
67.05500	21.1
69.03423	6.7
69.07061	9.1
69.36517	13.7
71.05004	1.9
79.05489	17.7
81.03424	1.5
81.07056	29.3
83.04983	4.4
83.08582	1.7
85.06543	3.7
91.05482	31.8
93.07043	41.5
95.04967	43.4
95.08602	24.2
97.06531	6.3
101.75642	1.2
103.05465	2.4
104.60869	1.3
105.07028	100.0
105.53185	1.3
107.04951	1.7
107.08591	19.8
109.06536	10.5
109.10160	9.9
111.08067	3.6
115.05462	2.1
117.07017	12.6
119.04897	2.0
119.08576	60.0
121.06503	12.5
121.10136	11.7
123.08078	17.4
123.11704	2.9
125.09663	1.4
128.06232	4.7
129.06992	5.7
130.07770	4.9
131.08559	24.2
132.09309	1.6
133.06464	3.0
133.10126	16.7
135.08034	12.5
135.11661	2.9
137.05894	1.6
137.09636	8.1
139.94461	1.3
141.07014	2.0
142.07762	11.1
143.08569	12.5
144.09383	2.6
145.06531	2.3
145.09033	2.6
145.10129	35.1
147.08049	17.8
147.11691	38.3
149.09615	9.0
151.07527	17.8
153.09145	2.0
154.07796	1.7
155.08557	5.0
156.09378	3.8
157.10112	18.4
158.07281	1.8
159.08063	4.4
159.11699	15.0
161.09642	6.8
161.13240	5.1
163.11200	4.8
165.09120	31.6
166.07744	1.5
167.08545	2.1
168.09354	4.9
169.10165	6.3
170.10851	2.0
171.11673	7.6
173.09625	4.9
173.11937	1.5
173.13235	7.5
174.10356	1.5
175.11200	27.2
177.09117	4.5
178.09871	1.9
179.08647	1.7
181.10126	4.5
181.12225	2.0
182.10886	2.2
183.11700	10.0
184.12524	1.6
185.13240	4.9
187.11183	3.3
187.14781	3.3
189.12769	5.3
191.14249	1.8
193.10138	1.4
195.11719	3.8
195.43663	1.4
196.12486	3.0
197.13268	3.0
199.11218	1.5
200.12053	1.8
201.12685	8.1
201.16435	2.1
203.14308	10.7
207.11960	2.5
207.13647	7.5
209.13228	2.1
209.15326	2.1
211.14777	5.3
213.12718	2.2
215.14371	3.0
219.13785	4.9
220.63409	1.6
221.15356	56.4
225.16399	2.1
229.15924	4.5
231.13649	3.1
233.13252	2.0
233.15375	3.6
234.16133	16.6
239.18121	1.6
242.68063	1.4
251.14185	1.4
253.15913	2.6
279.21381	1.6
286.19333	3.8
287.20071	8.1
299.20099	1.8
300.20767	6.0
329.21188	5.0
391.26138	3.5
409.27332	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58926	0.2
67.05524	0.4
70.93672	0.8
81.07055	0.3
100.69689	0.2
103.61916	0.3
119.04916	0.3
123.04472	0.4
137.02318	0.4
137.05904	0.3
151.03873	0.3
153.01804	1.4
247.05965	0.3
247.13042	0.7
257.04547	0.4
271.07962	0.8
287.05527	0.4
391.10107	0.5
409.18317	100.0
410.18619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.2
69.03422	0.3
70.06564	0.2
71.59586	0.2
78.53165	0.2
79.01859	0.3
86.09723	0.2
86.48710	0.2
100.65155	0.2
102.12162	0.2
105.07018	0.4
107.01307	0.2
107.04952	0.2
107.08611	0.2
117.88791	0.2
123.04404	0.8
125.02390	0.2
127.03928	0.2
137.05882	0.3
143.03360	0.3
147.04422	0.3
153.01830	4.9
153.02852	0.2
161.06026	0.3
163.03928	0.3
175.03845	0.2
177.05577	0.2
189.05405	0.3
189.08823	0.5
191.06891	0.2
193.05077	0.3
197.06175	0.2
201.03732	0.2
203.05344	0.4
215.06967	0.2
229.11971	0.6
231.06239	0.2
245.04466	0.3
247.06142	0.6
247.09396	0.2
247.13014	1.0
257.04446	0.6
259.06073	0.5
283.06021	0.4
285.09418	0.9
287.05508	0.6
310.48773	0.2
319.08252	0.7
409.18350	100.0
410.14441	0.2
410.18811	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.3
55.05509	22.1
57.07064	7.9
59.05001	4.0
64.96689	2.2
65.03940	2.4
67.05501	23.7
69.03429	7.9
69.07066	6.5
79.05487	21.7
79.98971	2.2
81.07052	34.4
83.04967	2.8
83.08607	2.9
85.06522	4.5
91.05471	40.1
93.07035	49.7
95.04969	48.8
95.08601	25.9
96.56332	2.7
97.06504	4.5
98.20642	4.0
103.05456	4.2
105.07026	100.0
107.04973	2.7
107.08595	22.8
109.06528	11.0
109.10162	9.5
111.60500	2.4
117.07022	12.4
119.08569	60.3
121.06474	20.2
121.10139	15.9
123.08057	18.1
128.06200	4.3
129.07010	7.0
130.07811	2.7
131.08592	17.1
133.06528	4.9
133.10144	16.7
135.08069	9.4
135.11688	5.7
137.09625	8.8
141.06963	3.3
142.07762	14.8
143.08545	14.8
145.10106	36.4
147.08029	17.1
147.11684	38.8
149.09602	12.3
151.07536	20.2
153.01828	4.4
153.07004	3.6
155.08542	5.8
156.09309	3.9
157.10124	21.9
158.10970	2.8
159.11734	13.9
161.09613	9.3
161.13219	3.8
163.11136	6.8
165.09113	33.3
166.07872	3.3
167.08698	3.8
168.09366	3.0
169.10196	7.1
170.10855	3.1
171.11708	8.7
173.11905	2.4
173.13281	7.5
175.11156	29.4
177.09103	3.7
178.09843	2.9
181.10010	3.1
183.11717	10.1
185.13293	7.2
187.11185	3.5
189.12798	6.5
191.14426	3.0
195.11742	5.6
196.12433	3.2
199.11156	4.9
201.12758	10.3
203.10811	3.0
203.14360	16.0
207.13811	7.8
209.13289	5.4
209.15285	3.3
211.14822	8.0
213.12669	3.2
219.13760	5.9
221.15356	70.2
229.15881	5.6
233.15347	4.2
234.16176	17.4
287.20090	9.1
300.20667	5.3
329.21027	6.0
391.26471	5.6
408.98819	2.2
409.27255	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	2.6
67.05505	1.7
68.99789	3.9
69.03435	2.1
71.04984	2.2
71.60443	2.7
78.20046	1.5
80.74121	1.6
81.07046	3.3
85.02917	3.8
87.61957	1.6
91.05489	3.3
93.07063	2.4
95.08584	2.5
95.85423	1.4
97.02861	2.0
99.04430	4.5
105.07008	3.0
107.04932	2.7
107.08609	2.1
111.04429	2.1
116.98522	2.0
119.08544	1.7
120.04431	2.8
123.04424	14.6
131.08635	1.6
134.99789	1.9
137.05998	2.9
139.03894	10.2
143.03387	1.8
147.04404	4.7
151.03856	2.3
153.01816	18.4
154.49817	1.5
163.03931	2.5
167.06946	1.7
175.03961	2.4
184.81009	1.5
185.04201	53.5
193.05016	3.6
203.03397	4.1
211.16978	2.3
212.17184	4.5
213.05354	2.3
229.05119	2.1
229.15814	2.8
242.58372	1.6
245.04448	2.6
247.09380	51.6
251.02116	1.7
257.04449	6.4
259.06033	2.1
271.06058	2.2
283.05844	8.2
287.05472	18.3
363.03879	2.0
409.09048	7.8
409.14642	100.0
409.18896	22.6
410.15021	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	409.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
53.03950	1.2
55.01860	1.4
57.63033	0.8
60.45701	0.7
65.03924	3.9
67.05487	1.2
69.03401	1.0
70.66160	2.8
72.08161	1.3
73.02906	4.2
74.19008	0.8
76.73791	0.8
77.03901	1.9
79.01847	4.1
79.05482	3.6
81.03387	1.0
81.07034	2.5
85.02903	2.0
86.09686	1.1
91.05468	7.1
93.03398	10.0
95.04966	4.1
96.30349	0.7
97.02886	1.6
103.05421	1.5
105.03391	10.9
105.04523	1.2
106.04160	1.3
106.18130	0.9
107.04938	3.0
109.06531	1.4
111.04420	1.4
119.04936	9.4
120.08131	1.6
121.02861	77.6
121.06475	0.9
122.03232	1.4
123.04436	2.8
123.59495	0.8
125.02359	3.1
133.02881	1.8
134.03622	16.3
134.10435	1.3
135.04408	5.7
137.05943	1.1
143.03391	6.0
143.45787	0.9
145.02837	1.7
147.04387	11.9
149.87430	1.2
151.03891	97.0
152.04240	1.6
153.01817	72.7
153.02837	3.2
159.11359	0.9
161.02333	1.2
163.03894	11.1
164.04692	1.5
165.05460	1.0
166.08632	1.0
175.03893	4.8
191.03369	9.2
193.04950	97.2
194.05356	1.8
203.03395	2.5
207.02858	12.5
208.03758	0.9
209.04482	1.1
219.02997	1.3
221.04520	1.7
241.04930	1.2
245.04474	1.3
247.06007	32.7
257.04352	2.2
259.06003	39.8
259.08716	2.1
265.03452	3.6
283.04095	5.0
285.08783	1.6
287.05481	3.2
299.05487	2.4
301.05499	26.4
313.08261	1.6
319.08096	100.0
320.08487	2.7
331.09186	2.7
331.24960	0.9
349.10477	2.6
359.08527	1.0
363.07150	6.6
391.06238	3.1
391.10904	4.2
409.07535	46.3
409.18295	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0762
Annotation	Bazzania acid
Peak:m/z	Relative Intensity
50.01602	0.2
51.02376	0.5
53.00293	0.1
55.01870	0.2
62.95366	0.1
69.03426	0.1
70.86193	0.4
77.63998	0.1
79.01842	4.3
79.07643	0.1
95.04922	0.2
97.02888	0.8
107.01328	0.9
107.04942	0.7
119.04208	0.1
119.04925	0.7
123.00791	0.2
125.02352	3.0
143.03387	7.2
147.04395	1.9
149.05989	1.0
153.01817	100.0
153.02763	3.5
154.02156	1.2
192.92484	0.1
193.04968	0.3
247.06000	11.6
259.05997	1.5
274.20981	0.1
299.05457	1.0
317.06424	0.4
319.08090	6.6
345.06009	0.2
363.07175	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
55.05515	1.7
56.96568	1.5
67.05500	2.7
69.03413	2.5
69.07052	4.0
70.91064	4.7
71.07655	1.6
76.95595	1.6
79.05482	3.9
79.80579	1.6
81.03395	1.7
81.07044	4.2
85.02907	9.9
85.06533	2.5
91.05475	10.4
92.89040	2.2
93.07034	9.2
95.04941	3.6
95.08611	3.8
105.07018	8.7
107.08587	3.1
109.06500	7.9
111.97055	1.7
119.08578	2.9
120.08109	2.2
121.02863	1.8
121.10165	2.4
123.04424	3.9
123.11679	2.2
131.08531	5.3
133.10130	48.9
137.05948	4.6
147.11659	12.9
151.03905	1.8
151.07596	1.9
151.11188	33.9
153.01825	26.1
155.06996	11.4
165.12781	1.9
166.07106	1.6
175.11137	7.1
193.04909	2.7
193.12245	24.5
211.13284	100.0
212.13577	2.9
215.07555	1.8
221.93054	1.6
225.08014	1.8
229.14311	20.5
245.04410	2.8
247.06032	2.1
257.04425	2.0
259.05954	2.3
267.09030	2.2
285.10205	2.4
287.05411	3.8
313.08215	2.0
319.08200	4.5
331.08960	1.7
337.28369	1.7
391.10663	2.0
409.08203	3.9
409.18219	17.8
429.14301	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	408.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.8
61.02909	2.3
64.11657	2.3
67.05491	13.5
69.03423	8.3
69.07066	10.1
70.80493	5.2
70.80843	2.3
71.04982	4.1
76.99982	2.0
79.01892	2.1
79.05485	8.0
81.03407	2.4
81.07053	43.6
83.04971	4.7
83.08624	6.8
85.02898	14.6
85.06523	3.1
90.08056	2.5
91.03967	2.1
91.05478	14.6
93.07049	9.4
95.04978	2.6
95.08589	7.1
97.02895	7.8
97.06535	2.9
105.07024	20.4
107.08607	6.6
109.06529	5.5
119.08569	15.7
121.02866	35.8
121.10125	16.2
123.08079	3.6
123.11709	22.3
127.03872	2.8
147.04433	3.1
147.11682	54.7
147.12779	4.4
153.01802	13.6
165.12756	40.5
180.08690	3.6
183.13802	16.5
193.12286	7.3
211.13341	5.9
229.14355	100.0
230.14787	2.7
247.73012	2.2
362.02756	4.3
408.27170	10.2
409.16107	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	408.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.7
52.96039	0.3
53.03950	0.3
53.82321	0.3
55.93525	0.4
56.96332	0.3
56.96552	1.9
58.06622	0.3
69.03437	1.1
69.07076	0.3
70.01404	1.4
78.04732	0.4
79.01852	3.8
79.05502	0.4
81.03438	0.3
81.07040	0.4
85.02903	3.0
89.21159	0.3
91.05474	2.0
93.07059	0.6
95.04980	0.6
97.00104	0.4
97.02895	1.6
98.97545	1.7
103.05465	0.7
104.05022	0.4
105.07023	1.1
107.01335	0.8
107.04965	1.4
109.02836	0.3
115.05435	0.4
116.98627	2.0
117.07004	0.4
119.04945	1.2
119.08584	1.4
120.02057	0.4
121.06499	1.0
123.04395	2.3
124.05211	0.7
125.02361	3.4
127.03920	0.7
131.04924	0.5
131.94933	0.3
133.06500	0.6
133.10114	0.7
134.99644	1.1
137.05974	0.6
143.03397	7.0
145.06476	0.5
147.04410	2.3
149.05992	2.2
151.03966	0.6
152.04634	0.8
153.01822	100.0
153.02798	3.8
158.99704	0.6
161.05980	0.5
161.13239	1.2
163.03940	0.6
165.05336	0.4
166.06267	0.5
167.07033	62.8
168.07419	0.6
175.04037	0.5
177.00723	1.1
177.02283	0.4
177.05400	0.3
179.06949	0.5
181.08556	1.9
193.04900	0.9
193.08600	2.5
194.16840	0.3
203.03383	0.4
210.07668	0.4
211.09644	10.0
219.01759	0.6
222.06432	0.9
223.09250	0.4
229.05107	0.3
229.10689	5.7
232.09569	0.4
237.02803	1.0
241.10838	0.4
245.04451	0.5
247.06027	9.1
257.04385	1.0
259.05920	1.4
283.05869	0.4
287.05441	1.1
299.05530	0.6
319.08093	6.0
386.07611	0.4
408.65060	0.6
409.08862	1.8
409.14508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.097
Annotation	5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
51.02391	0.1
52.03156	0.2
53.00290	0.1
53.03928	0.3
55.01848	0.4
63.85688	0.1
63.96913	0.1
65.03927	1.3
67.05502	1.4
68.99786	0.1
70.92638	0.2
70.93016	0.2
71.01344	0.2
77.03920	0.2
84.02102	0.2
84.91784	0.1
85.02895	0.2
90.90875	0.1
93.03366	0.1
95.01358	0.2
95.04965	1.1
97.90692	0.1
105.03400	0.1
105.04498	0.2
108.02084	2.1
109.02862	0.3
111.04438	0.6
112.01563	0.2
123.04417	0.2
126.81681	0.1
136.01569	0.4
137.05960	0.2
141.05457	3.5
142.34200	0.1
148.61226	0.1
149.40111	0.1
151.03894	100.0
151.04948	6.0
152.04222	1.6
152.05424	0.1
177.17545	0.1
181.04858	0.1
181.08601	0.1
202.65868	0.1
225.07571	0.1
245.08061	3.3
246.59532	0.1
257.08090	0.3
297.07532	0.2
299.09073	0.1
305.71896	0.1
317.10178	3.9
318.10687	0.2
343.08051	0.1
349.06192	0.1
361.02618	0.4
361.09180	0.4
379.03485	0.2
407.09525	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93678	1.3
70.16261	2.9
70.16689	6.5
71.04976	1.4
81.07008	2.1
85.02901	1.7
93.07015	1.7
95.08605	1.9
99.48450	1.5
151.03845	1.7
171.00543	4.1
185.04219	4.4
245.07845	100.0
269.59219	1.5
300.95013	1.6
315.08536	10.4
389.05481	6.7
390.80072	1.6
407.07300	3.5
407.13022	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
58.96746	0.3
59.01121	0.3
69.03409	2.0
71.59159	0.4
73.02900	0.4
74.12429	0.4
79.01843	4.4
81.03414	2.8
85.02891	2.6
91.05444	0.4
97.02890	3.0
98.97565	0.7
107.01296	0.7
107.01960	0.4
109.02866	2.3
116.98657	0.4
119.04922	0.5
123.04459	0.8
125.02333	3.6
127.03914	2.3
143.03401	7.2
145.04965	0.6
147.04393	1.4
149.05913	1.0
153.01816	100.0
153.02776	3.6
154.02141	0.7
163.03958	0.5
167.06990	2.1
171.02885	4.4
193.11345	0.4
203.03337	0.8
229.29791	0.4
236.12383	0.4
245.04294	0.4
246.05811	0.8
247.05980	6.1
257.04245	0.6
259.05859	0.8
283.06137	0.5
287.05496	1.5
297.06046	3.1
299.05396	0.9
315.07071	5.3
319.08066	3.6
409.09061	1.2
423.64450	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	3.8
70.93416	0.7
70.93773	0.5
71.95199	0.4
76.07600	0.3
81.07017	0.4
107.04903	0.7
148.11153	1.0
149.38776	0.3
151.03882	2.2
161.96605	0.3
167.06926	0.4
193.01704	0.3
194.99690	0.5
197.01248	1.7
201.00665	0.7
213.00644	0.4
215.02173	0.4
221.01250	0.5
226.06261	0.3
229.01880	0.4
231.01692	0.5
235.02679	1.0
243.03423	0.5
243.08723	1.8
247.02838	0.6
259.02725	0.6
261.04428	0.5
263.02145	0.4
271.02673	1.0
277.03842	1.0
287.02219	1.5
289.03607	0.7
303.01862	0.4
305.03366	1.4
315.01721	0.8
317.03201	0.4
325.00046	6.7
333.02744	0.8
343.01169	8.0
361.02286	100.0
362.02682	1.9
363.03387	0.4
366.02994	0.9
378.15253	1.2
379.03348	63.7
380.03772	1.1
384.03821	7.3
402.05164	2.3
407.09702	2.4
407.18988	0.6
407.29080	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
57.03431	7.0
57.07067	6.4
58.06603	2.9
58.99569	10.2
67.05497	13.1
69.03432	4.8
69.07037	3.1
69.72177	13.0
71.04977	8.1
76.02238	15.5
79.05499	11.5
81.03407	3.0
81.07040	17.1
83.04961	3.1
84.04498	21.4
85.02904	16.9
85.06540	70.1
86.00652	2.4
86.99043	5.0
91.05474	8.2
93.07030	10.5
95.04937	4.1
97.02870	4.5
98.09695	8.4
98.21449	5.0
99.08082	9.3
102.05529	2.8
105.07028	10.7
107.04940	6.8
107.08607	14.5
111.04432	11.1
113.04218	4.4
115.09503	2.8
116.01657	18.8
119.08594	13.3
121.06500	7.3
121.10147	13.5
122.38802	2.3
123.08057	3.2
125.05965	3.8
127.03875	2.5
129.06985	2.8
130.05009	4.9
130.06810	6.1
131.08568	45.8
135.11646	4.0
144.01105	8.8
145.10112	20.2
149.09598	44.0
153.05540	2.7
156.08420	10.0
156.10204	5.9
157.06847	4.1
162.02217	17.5
163.07584	2.7
163.11147	18.0
165.09079	9.9
167.10689	25.8
173.09595	5.3
174.09470	8.5
179.04848	6.2
191.10666	49.7
209.11726	70.1
216.06877	4.8
227.12766	100.0
257.04236	4.3
259.11121	70.2
263.91425	2.8
275.22345	2.4
313.12308	3.0
331.13245	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	406.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22224	0.8
55.01866	1.9
55.05513	2.4
55.16493	1.0
56.05031	5.7
57.03440	4.7
58.29976	0.7
58.99582	9.6
61.01138	0.9
67.80759	0.8
68.05010	1.6
69.71224	0.8
70.37610	2.8
72.08127	1.0
73.01142	1.6
74.00667	1.7
76.02225	20.0
76.03979	1.5
79.05479	2.7
80.05035	1.3
80.66822	1.1
81.07054	18.9
83.06102	1.6
84.04498	23.5
85.01131	4.0
86.00628	4.2
86.99047	6.3
87.02683	7.0
88.02223	2.0
94.06543	1.0
95.08601	3.6
96.08137	1.2
97.06534	2.7
98.09681	13.8
99.05582	1.6
99.08084	6.2
102.05537	7.3
105.07014	1.5
105.30733	0.7
110.09676	1.2
110.60532	0.7
112.03963	4.1
113.04213	6.0
115.05796	2.1
116.01672	22.0
116.02481	1.6
116.59975	0.8
122.09663	1.8
127.05810	0.9
129.06590	4.0
129.07411	1.2
130.04994	10.1
130.06853	4.7
130.08632	1.9
139.05792	1.9
142.03206	2.1
142.05084	0.8
144.01135	8.8
145.05992	1.8
156.08427	22.8
156.10197	13.1
157.06825	10.4
162.02193	25.2
170.02713	1.7
174.09479	11.9
179.04826	9.4
188.03761	0.9
189.03255	1.4
210.11171	2.4
216.06941	7.5
233.05899	2.9
246.22935	0.8
259.11102	100.0
260.09216	1.1
260.11591	1.6
285.12665	2.3
313.12164	2.9
331.13156	7.0
358.95065	1.1
385.56677	0.9
388.15463	1.8
406.16470	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	405.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	2.2
63.39518	0.3
69.03420	1.1
70.84589	1.0
79.01844	0.6
79.05496	0.4
85.02882	1.1
86.09656	0.3
87.04465	0.4
91.05489	0.5
97.02893	0.7
98.97574	1.1
107.04961	0.3
107.08565	0.3
108.47249	0.3
112.08574	0.3
115.03920	0.4
116.98590	0.7
119.01922	1.1
121.10121	0.3
123.04420	3.3
127.03905	2.5
131.01939	0.3
131.08554	0.5
135.04382	1.1
139.03896	1.3
143.03389	0.7
145.03450	0.8
147.04414	0.8
151.03889	0.4
153.01811	6.3
153.02968	0.5
155.01830	0.3
157.03537	0.4
161.03000	0.4
163.03903	0.9
164.04285	0.5
167.07033	0.4
173.02895	0.7
179.00241	0.4
189.05542	0.3
197.01210	1.9
201.00746	0.5
209.01144	0.5
211.07350	0.8
219.01584	0.5
220.07799	0.7
221.01289	0.5
226.98688	0.4
227.02202	0.7
233.02943	0.5
237.00731	1.2
237.02911	0.6
242.03253	0.8
244.99678	1.1
246.03868	0.3
255.01785	1.2
257.04419	1.4
259.11237	0.7
263.00766	1.2
271.06073	0.4
273.07568	1.2
273.12930	0.3
291.12885	1.0
300.04813	0.8
301.10437	0.5
307.10687	0.9
309.05234	0.7
309.13937	0.7
345.02478	0.3
375.14957	0.7
391.08182	0.7
405.17294	100.0
406.17673	3.2
409.09250	0.4
421.13870	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03947	2.3
55.01870	0.7
55.05509	1.4
56.96556	0.6
57.03435	4.8
57.07070	0.4
59.43346	0.4
65.03941	0.6
67.05502	1.6
69.03431	1.3
69.07049	0.7
70.73741	1.3
73.02906	0.5
74.09678	0.4
77.03930	0.5
77.82670	0.4
79.05053	0.8
79.05486	9.7
81.07050	1.5
83.08627	0.4
84.04512	0.7
85.02888	0.8
87.78608	0.5
89.88100	0.4
91.05471	13.5
92.05811	0.6
93.07038	68.3
94.07372	2.0
95.04966	7.4
95.08607	2.3
97.02927	0.5
98.21461	0.5
100.11225	1.3
103.05463	1.7
105.04475	0.6
105.07025	13.1
106.07837	1.0
107.04944	9.4
107.05617	0.8
107.08585	3.1
108.04451	0.5
109.06503	1.0
109.10180	0.8
115.05452	0.8
116.06210	0.8
119.04916	4.3
119.08588	3.7
121.06555	2.2
121.10133	100.0
122.10458	3.1
123.08079	3.4
129.06918	0.5
130.04988	0.6
131.04878	0.6
131.08549	4.7
133.06505	0.9
133.07635	1.3
137.05989	1.3
145.06462	1.0
147.04411	9.0
147.08095	0.5
148.04738	0.8
149.09607	35.7
149.40121	0.4
150.09956	1.1
151.03934	0.6
151.07523	2.6
156.13829	0.8
157.06424	0.5
159.08067	1.0
161.05994	0.6
161.96077	0.4
162.12791	0.7
163.07472	1.1
167.07063	0.7
167.10727	0.5
175.03922	1.0
181.04980	0.4
184.13324	0.8
193.04924	2.7
197.09517	0.4
199.03870	0.5
199.07457	0.6
199.11163	0.6
203.07034	1.2
205.08597	0.4
210.14822	0.7
215.10704	0.4
219.10243	0.5
227.14328	0.6
233.08075	0.6
239.10669	0.7
243.13754	1.4
255.13744	1.6
269.06555	0.7
286.31488	0.5
295.13110	1.4
313.14130	0.5
315.15884	3.5
341.13684	0.5
359.14719	0.5
405.15259	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38282	0.6
56.96558	14.6
59.29155	0.6
61.02888	1.0
68.99364	0.6
69.26442	8.2
71.95231	1.8
81.30441	0.7
83.42502	0.7
94.04151	1.7
98.97575	48.4
109.99347	0.6
116.98611	54.9
120.70840	0.7
122.03648	3.3
129.46043	0.8
134.99648	49.2
136.85529	0.7
137.05965	41.8
140.00153	3.2
147.60127	0.7
148.60909	0.7
149.90004	0.7
153.00691	8.8
158.01218	4.1
179.00267	1.0
197.01175	3.5
198.01942	1.3
205.63358	0.7
215.02257	1.0
220.00365	1.6
224.09486	1.6
226.11137	14.1
235.02750	41.2
236.03065	0.8
238.01489	2.5
242.10641	1.1
244.12190	10.8
253.03821	100.0
253.81097	0.7
254.04179	2.6
267.13718	0.9
268.12180	3.0
271.04938	7.7
276.05426	10.4
277.05658	0.8
280.12201	1.4
285.10065	1.0
286.13153	1.5
329.12668	0.8
344.15173	5.0
362.16357	3.2
365.16174	0.8
404.17413	67.4
405.17749	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	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95985	3.6
55.01863	8.1
55.05512	5.3
57.03432	4.1
65.58403	3.6
67.05510	11.2
69.03426	14.9
70.06595	8.1
70.24947	19.3
71.04996	18.9
79.05498	16.8
81.07058	40.5
85.02911	14.8
85.06524	6.1
89.03997	4.3
91.05470	29.4
93.07039	36.6
95.05005	5.3
95.08612	15.2
97.02879	16.7
97.06542	5.3
99.04451	39.8
105.07028	64.7
107.04943	7.5
107.08601	17.8
109.06496	13.5
109.10197	7.4
111.08087	21.8
119.04948	8.3
119.08588	16.4
120.08131	4.7
121.06480	8.1
123.08105	7.9
125.79871	3.7
127.03894	4.2
131.04996	5.7
133.06572	7.3
133.10132	98.2
133.11078	7.9
133.36517	4.3
135.11668	15.5
137.05978	16.8
143.08594	16.4
145.10172	6.5
146.07161	4.7
147.04414	20.9
147.08101	4.7
148.04778	4.1
151.11205	9.7
161.09624	100.0
163.11237	20.1
171.08041	6.0
179.10663	44.5
179.17938	4.5
189.09102	38.9
207.10146	25.8
211.16985	24.1
225.11224	96.2
331.59891	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	403.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	9.2
56.96555	20.0
57.03426	8.6
58.06598	10.5
61.02915	10.2
67.05492	14.3
69.03414	32.6
69.07035	6.5
70.06591	9.9
71.22445	16.6
72.08128	22.7
77.14072	6.9
79.05486	8.5
81.03403	19.6
81.07029	13.4
83.04980	18.0
84.04482	13.4
85.02915	80.6
86.09692	24.2
87.04445	8.8
91.03919	7.8
91.05481	26.0
93.07046	56.4
95.04941	18.8
95.08592	9.1
97.02866	28.2
97.06531	9.9
98.97572	16.4
105.07043	15.0
107.05000	7.3
107.08546	8.5
109.02906	12.9
109.06487	8.4
116.98661	10.4
119.08556	10.8
121.06482	90.0
123.04454	14.5
123.08045	17.4
125.05996	10.0
127.03915	22.4
128.98535	8.4
129.01851	11.9
131.71414	7.2
134.99663	15.9
135.04378	11.1
137.05956	14.7
139.07550	6.9
143.03419	7.8
145.04938	18.2
147.04405	23.3
149.09619	9.1
151.07524	53.8
153.01833	100.0
159.11682	9.4
163.03957	18.4
164.04373	7.5
183.06529	13.1
187.11176	7.5
197.11668	14.2
205.12253	51.6
221.07646	8.1
223.13164	46.8
226.98619	16.0
237.02817	13.3
241.14427	7.7
385.13962	9.6
399.21921	7.4
403.15399	40.4
403.19669	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1023
Annotation	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.10978	0.1
51.02380	0.1
51.39942	0.1
65.03938	1.2
65.42918	0.1
70.75843	0.2
70.76176	0.2
72.06577	0.1
76.99963	0.1
85.92656	0.1
88.72855	0.1
91.05476	10.2
92.05800	0.1
100.11255	0.3
103.84166	0.1
106.62889	0.1
111.04462	0.1
119.04937	24.6
120.05264	0.5
123.04416	0.2
147.04402	100.0
148.04726	2.6
153.05359	0.1
181.04909	0.2
241.08525	0.3
276.92993	0.1
313.10645	1.4
357.09631	0.3
363.19583	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	403.1381
Annotation	Nobiletin
Peak:m/z	Relative Intensity
55.05488	1.0
64.09963	0.7
67.05498	1.0
69.03416	1.1
71.59607	0.9
72.08127	1.1
75.25767	0.6
79.05474	1.2
81.07052	1.3
85.02888	0.8
91.05467	2.3
93.07033	0.7
95.08612	1.2
105.07042	0.9
113.35211	0.8
119.04943	3.1
127.03936	1.7
147.04393	7.5
149.33545	0.7
159.04430	0.8
163.07532	2.6
165.05473	3.2
183.02882	13.8
211.02376	5.1
211.97534	0.7
212.10417	0.7
229.03429	3.1
243.03555	0.7
244.07307	1.0
258.05261	2.8
259.06079	1.9
273.07507	1.0
274.08319	1.1
277.06934	0.8
283.05869	0.7
284.06766	0.8
287.05792	0.8
299.09134	1.1
301.07080	6.6
301.48938	0.7
302.07880	1.2
312.06317	1.3
313.07193	2.3
315.04871	3.4
325.03494	0.8
327.04977	1.2
327.08582	9.4
329.06583	5.6
330.07324	6.6
339.88608	0.7
343.04492	2.5
345.09637	2.0
355.08060	4.9
357.05917	2.0
357.09753	1.3
358.06808	5.8
359.11154	0.8
373.09161	84.0
374.09573	3.3
385.24426	0.8
387.10645	1.6
388.11508	10.8
403.13867	100.0
404.14236	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	402.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	1.2
63.42671	0.4
65.03911	0.6
70.01378	2.0
85.02880	0.9
119.04921	0.4
121.02878	2.5
147.04398	1.9
149.02332	100.0
150.02660	2.4
152.41072	0.4
164.12224	0.4
167.03407	1.5
205.08580	2.8
223.09622	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	403.1023
Annotation	2-(1,3-Benzodioxol-5-yl)-7-hydroxy-3,5,6,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
50.01603	0.1
51.02383	0.1
62.01585	0.0
63.02375	0.1
65.03931	1.2
67.68748	0.0
71.59974	0.1
73.02913	0.0
79.05485	0.1
91.05476	11.3
92.05795	0.2
95.04974	0.1
112.14661	0.0
115.87371	0.0
118.04128	0.1
119.04937	26.0
120.05257	0.7
123.04452	0.1
126.86611	0.0
129.01808	0.0
146.03522	0.1
147.04399	100.0
148.04729	3.1
153.05397	0.1
167.07056	0.1
181.04942	0.1
241.08563	0.3
258.23251	0.0
271.06079	0.1
286.08386	0.1
287.05328	0.1
301.10767	0.1
313.07166	0.1
313.10678	1.2
314.11044	0.1
338.10675	0.0
341.10001	0.1
357.09653	0.2
403.09625	0.1
403.13815	0.2
421.17010	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
53.79644	4.2
55.01870	24.2
55.05505	18.0
56.96569	4.1
57.03437	11.5
57.07084	5.9
61.02947	6.3
67.05499	38.5
69.03424	15.9
69.07061	27.8
70.95068	9.8
71.01351	20.9
71.04993	7.9
72.08157	10.5
79.05499	23.0
81.03426	39.9
81.07052	46.2
83.04978	8.5
83.08616	11.8
85.02907	17.2
91.05481	24.8
93.07045	48.1
95.04967	36.1
95.08615	47.3
97.02895	29.0
97.06527	17.4
97.10166	9.2
99.04448	11.1
105.07026	43.1
107.04955	12.3
107.08583	51.6
109.06526	7.5
109.10169	21.0
111.04438	19.7
111.08096	16.3
117.07037	11.5
119.08582	37.4
121.06500	9.9
121.10123	26.2
123.04420	67.6
123.05206	6.9
123.08086	15.6
123.11688	6.6
125.09632	6.5
127.03983	5.9
128.06291	5.1
129.07008	15.7
131.08565	32.7
133.06500	7.0
133.10123	33.7
135.08008	5.9
135.11743	19.8
137.06006	5.0
137.09625	8.4
137.13278	7.8
141.05484	23.9
143.08568	11.1
145.06485	4.4
145.10117	35.0
147.04364	5.5
147.08052	6.0
147.11693	40.1
149.09648	8.9
149.13237	31.8
155.08485	5.8
157.10129	11.5
159.06543	11.4
159.07982	4.6
159.11710	21.5
161.09575	10.0
161.13278	12.2
163.11191	9.4
163.14850	7.6
167.07091	11.0
169.10161	8.0
171.08040	5.5
171.11647	19.5
173.09590	6.5
173.13268	18.3
175.11211	8.8
175.14822	6.1
177.12700	4.0
177.16325	4.5
183.08200	6.4
185.13235	12.7
187.14799	10.7
189.09026	5.3
189.12794	5.3
189.16357	11.7
193.12309	4.2
195.11594	6.5
197.13248	5.3
199.11240	4.4
199.14771	4.4
201.09026	4.8
201.16440	20.0
203.10625	8.2
203.17952	29.4
213.12740	4.6
213.16415	15.1
215.17972	8.3
217.15863	7.7
219.17451	35.3
221.18971	40.3
222.19443	4.2
225.12828	5.3
227.17987	11.5
229.19479	21.4
231.17386	21.6
233.18977	4.8
241.19571	4.9
243.13750	29.3
245.19038	10.1
249.18423	7.1
255.17368	5.6
257.18890	5.5
261.18521	8.6
263.20050	6.7
281.18970	12.7
283.20529	5.5
287.19998	14.9
293.18942	6.7
299.20056	100.0
302.03864	5.1
303.05109	23.2
304.05063	5.6
311.20102	33.3
315.04785	10.5
315.08575	7.0
317.21130	10.4
329.21078	46.6
330.10907	5.0
347.22086	14.4
351.12604	5.5
365.23300	17.2
383.11276	14.1
383.24283	35.9
401.11447	45.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
56.92399	0.6
57.03455	0.7
58.67378	0.6
67.05503	0.7
69.03415	1.0
69.07056	1.4
71.43063	0.5
71.59421	0.9
75.36947	0.5
79.05499	1.4
81.03400	1.1
81.07063	1.7
85.02897	0.7
91.05483	1.6
93.07062	1.3
93.59035	0.6
95.08583	1.1
105.07037	0.9
107.04944	1.1
107.08550	0.7
109.10155	0.9
121.10081	0.6
123.04465	0.6
129.06969	0.7
131.08566	0.8
145.06526	0.6
147.11673	0.9
163.03923	0.7
167.07042	2.0
181.04967	0.6
187.07674	0.7
221.19052	0.9
283.61145	0.6
303.05005	2.5
313.16211	11.0
315.08615	1.1
316.44009	0.6
330.10669	1.4
383.15085	1.3
383.22482	0.8
401.21445	100.0
402.21741	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	401.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21059	2.4
55.01873	3.3
55.05510	5.9
65.95937	2.9
67.05507	8.5
69.07066	10.7
70.84717	6.3
70.85057	4.5
71.05008	3.6
71.14108	2.7
78.04697	2.8
79.05482	20.4
79.43771	2.6
81.03420	6.1
81.07035	24.1
83.08607	3.5
85.02928	3.7
91.05501	12.1
93.07053	9.2
95.04974	12.4
95.08617	8.3
97.06535	10.1
103.05496	3.7
105.07034	9.1
107.04955	36.6
107.08611	9.3
109.06575	3.3
109.10179	6.4
111.04427	3.0
115.05468	5.4
117.07027	5.5
119.08582	7.4
121.02928	3.2
121.06525	4.2
121.10166	4.1
123.04439	11.3
124.05180	8.1
125.05996	7.0
128.06194	3.2
129.07004	6.4
131.04907	4.1
131.08614	10.3
133.06506	5.0
139.03870	16.0
141.07001	6.9
144.05728	5.6
145.06499	6.3
145.10149	5.1
147.08011	4.6
147.11690	3.6
151.03902	6.1
152.04631	6.1
153.01888	3.6
153.05505	11.2
156.05708	8.3
159.08051	14.4
161.05986	6.0
161.09698	3.5
163.03839	7.2
165.06992	6.1
167.07028	100.0
167.08414	6.0
173.05994	6.4
175.07574	5.8
181.04956	11.2
181.06403	3.9
186.06787	4.9
187.07550	10.6
189.05569	3.9
191.08630	3.5
195.06551	4.3
201.09198	5.7
202.06235	4.9
205.06750	4.7
205.08527	15.9
207.06483	9.4
208.05205	21.4
211.07590	4.1
215.06953	4.8
217.08580	34.3
218.07367	5.0
219.08098	11.1
219.10178	6.6
220.08763	6.3
221.06000	7.9
231.08093	10.2
233.05994	4.2
233.11792	3.7
236.04706	8.3
247.07501	13.3
247.09688	19.4
248.08401	10.6
249.05655	3.5
249.09093	5.8
250.06235	3.1
254.05766	9.6
257.04218	4.6
260.08481	3.9
261.09140	6.1
263.10706	11.0
264.07800	8.2
265.08679	3.0
267.06525	6.8
267.72122	3.3
269.07977	28.1
271.06030	4.3
271.09372	6.3
272.06790	6.9
275.07181	6.6
276.07764	8.8
277.08542	5.0
279.10165	10.3
281.08209	5.6
282.05469	7.0
282.08899	13.3
284.06747	4.4
287.05392	4.8
289.57620	3.4
290.09305	6.1
291.10049	15.4
293.08038	6.8
303.04825	18.8
307.09668	10.6
308.10516	5.5
310.08380	12.7
315.05103	2.4
315.08572	72.2
316.09186	3.1
319.09637	10.1
323.09409	4.5
323.12582	15.1
325.10526	4.1
328.09375	3.9
330.10941	73.9
331.11661	12.5
336.10034	5.0
337.10577	6.9
339.12411	9.5
343.11893	18.9
351.12177	26.1
352.12845	4.0
353.09921	6.6
356.12604	4.8
357.09344	4.0
368.12375	8.3
369.13239	6.5
371.14832	5.3
373.12799	7.2
383.10370	3.8
383.14920	65.1
383.29224	4.3
401.11505	24.1
401.16153	12.7
401.30521	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	1.9
69.88844	9.1
78.04687	1.7
79.05484	16.7
81.03394	1.9
81.07055	3.9
85.02898	3.1
91.05477	7.3
93.07053	1.9
95.04943	6.0
95.26682	1.5
97.06520	5.9
105.07018	4.3
106.04185	2.0
107.04951	29.5
109.06493	2.9
109.10129	2.3
115.05450	4.0
117.07034	3.4
119.04906	2.4
123.04441	6.1
124.05186	5.1
125.05964	4.6
128.06203	2.2
129.06992	5.5
131.04944	1.8
131.08548	9.7
133.06380	2.1
137.05971	4.0
141.06967	5.5
144.05670	6.2
145.06480	5.8
147.04413	2.0
151.07510	2.4
152.04739	3.9
153.05489	1.9
156.05690	10.6
157.06432	2.9
159.08047	13.3
161.05966	2.5
163.03838	2.7
165.06892	2.7
167.07033	100.0
169.06499	2.4
173.05992	5.6
175.07553	2.5
177.05463	2.5
179.07016	3.2
179.08568	2.0
181.04987	2.9
181.08591	2.3
183.06548	2.2
184.05148	2.1
186.06758	3.5
187.07562	9.7
190.07751	2.5
191.07019	2.6
191.08534	2.5
193.06538	2.4
193.08574	1.8
194.07199	1.8
195.06444	2.6
201.09044	2.7
202.06247	4.2
202.07895	3.5
203.06932	2.3
203.08626	2.4
205.06721	2.9
205.08545	13.5
207.06508	5.2
208.05203	21.1
208.08781	2.6
209.05884	2.0
209.07979	2.4
210.06804	3.8
211.07527	1.8
215.08676	2.6
217.08580	31.4
218.07297	5.8
219.08031	13.3
219.10216	4.7
220.08818	5.5
221.05962	7.2
221.09612	2.3
226.06239	2.3
229.08597	5.2
230.07217	2.0
231.08102	5.7
232.08588	1.9
233.05978	3.7
233.09650	7.1
234.06743	3.1
235.07501	4.4
236.04630	7.9
236.08333	4.2
237.09200	2.4
238.06328	1.9
239.06978	2.9
241.08568	1.9
245.09686	1.9
247.07468	12.4
247.09677	22.0
248.08316	13.4
249.05421	3.2
249.09134	3.2
250.06123	1.7
251.07074	2.1
254.05711	8.8
255.06490	3.3
257.04413	1.6
258.06720	2.4
259.07590	2.5
260.08270	2.9
261.09125	5.6
262.09872	3.4
263.06989	4.3
263.10651	10.7
264.05130	1.5
264.07706	8.8
265.08649	3.9
266.05774	2.6
267.06525	8.0
267.10501	1.7
268.03821	2.8
268.07071	1.6
269.08075	24.6
271.05991	3.7
271.09644	8.2
272.06714	4.5
275.06958	8.0
276.07758	8.2
277.08600	5.7
278.05621	2.3
278.09033	1.7
279.07135	1.6
279.10013	8.4
280.10806	2.0
281.07974	2.9
282.05499	3.5
282.08725	19.2
284.06818	1.9
285.07434	3.0
287.09305	3.6
289.08588	2.6
290.09229	3.9
291.10077	15.2
292.07239	3.7
292.10577	2.0
293.08051	7.0
296.10471	4.1
299.09088	6.5
301.07101	3.0
304.07269	1.9
305.07962	2.9
305.11447	1.8
307.09589	8.9
308.10382	5.9
309.07611	1.7
310.08276	10.6
311.12851	3.0
315.08591	78.2
316.09079	3.3
318.09076	2.0
319.09613	10.6
321.07443	4.7
321.11075	3.4
323.09207	3.5
323.12708	17.9
325.10220	2.9
328.09421	5.4
330.10941	82.7
331.11676	10.3
336.09851	4.3
337.10693	8.3
338.07785	2.4
339.12228	9.6
341.06586	2.3
343.11774	23.1
350.11499	2.0
351.12204	24.9
352.13022	4.5
353.10178	9.8
356.12442	4.2
368.12466	9.3
369.13177	4.6
371.14868	4.8
383.14859	59.2
401.11682	2.3
401.16037	20.3
401.21039	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	401.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.8
67.05492	9.9
67.98374	3.8
71.05647	3.2
71.59515	5.5
75.60489	4.3
79.05476	17.7
81.03425	6.4
81.07070	18.1
81.19768	4.0
83.04955	4.0
85.02914	6.2
87.22569	3.7
91.05471	15.6
93.07018	5.2
95.04986	4.3
95.08573	5.2
97.06516	9.3
105.07075	5.0
107.04955	29.6
107.08598	3.7
109.10137	6.5
117.06974	6.4
119.04967	6.0
119.08569	5.0
123.04405	6.5
124.05172	8.1
129.07007	9.9
129.56662	4.8
131.08524	10.6
133.06499	5.5
144.05704	7.5
145.06448	8.9
147.04381	4.4
152.04704	7.1
153.01726	4.9
156.05649	7.4
159.08047	8.7
161.06033	7.3
163.03923	5.2
167.07031	100.0
173.05969	8.4
173.97083	4.3
179.06888	4.3
181.04984	17.1
186.06714	4.7
187.07564	7.6
202.06198	4.7
205.08566	17.0
208.05179	13.4
217.08614	27.3
219.08063	12.8
219.10080	7.8
220.08937	4.6
221.05952	5.4
229.05136	4.2
229.08647	4.4
231.08018	5.3
233.09622	6.2
236.04668	6.7
247.07535	14.6
247.09822	18.6
248.08282	11.3
254.05656	9.2
263.10632	10.8
264.07785	8.7
265.08475	6.9
267.06482	9.9
269.07983	21.9
271.09570	5.4
275.07004	10.7
276.07806	8.8
277.08557	7.7
279.10245	9.7
282.08798	13.2
291.10141	17.0
293.08170	9.0
296.10294	6.3
301.06995	5.5
303.04843	19.9
307.09641	15.2
308.10239	7.9
310.08353	10.6
311.12747	4.6
315.08585	69.9
319.09564	6.1
323.12738	13.9
330.10980	82.3
331.11633	14.4
339.12183	7.0
340.12469	4.8
343.11697	25.8
349.49326	4.1
351.12366	25.7
352.12711	4.8
368.12439	8.0
369.13406	6.5
371.14890	7.3
373.12717	9.5
383.14975	71.9
401.11478	26.0
401.16101	16.9
401.20612	5.1
401.23444	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	401.1569
Annotation	N-Monodesmethyldiltiazem
Peak:m/z	Relative Intensity
67.47743	0.4
69.31673	5.4
70.06578	0.5
85.89293	0.5
91.05501	0.6
95.04945	0.8
106.77320	0.5
107.04932	1.6
133.03625	0.5
133.10257	0.5
139.42935	0.4
147.04413	1.6
154.01308	0.5
167.07048	3.6
170.42206	0.6
187.07562	0.6
189.05266	1.1
189.09036	0.5
204.07564	4.6
205.08539	0.7
207.06468	0.9
208.05241	0.8
236.08450	0.8
247.07420	0.6
247.09662	0.8
248.08484	0.7
267.06586	0.5
269.07944	0.7
282.08881	0.9
291.10077	0.9
297.54843	0.5
315.08502	2.6
323.12851	0.6
328.08841	0.5
330.10834	2.6
339.08856	0.6
343.11810	0.7
351.12158	0.8
368.12393	0.9
383.15228	2.3
401.15717	100.0
401.21368	4.4
402.16129	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	401.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.8
60.23849	1.6
66.60660	1.5
67.05499	1.8
69.03423	3.9
71.60030	2.9
79.05483	15.3
81.07040	2.6
85.02894	2.6
91.05486	9.4
93.07018	2.0
95.04947	4.7
97.02878	2.1
101.00579	5.4
106.04176	1.7
107.04951	31.0
109.02876	1.8
115.05450	5.3
116.06257	2.2
117.06998	4.7
117.63421	1.5
121.06554	1.8
123.04409	5.4
124.05196	7.9
125.05988	3.9
128.06206	3.8
129.06984	6.5
131.04880	2.1
131.08585	8.0
132.05724	1.7
135.07956	1.6
137.05972	2.2
139.11191	3.8
141.06990	4.5
144.05656	8.4
145.06465	5.0
147.04393	4.1
151.95183	1.8
152.04723	3.7
153.01797	8.2
153.05380	3.2
156.05713	16.4
157.06488	3.8
158.07220	2.7
159.08044	19.3
161.05969	3.0
163.03854	5.4
165.06981	2.5
167.07039	100.0
173.05975	5.2
175.07497	1.9
179.07149	2.3
181.04942	1.7
183.04814	2.0
183.06401	2.3
184.05154	4.4
186.06786	3.4
187.07556	13.1
190.06175	2.7
190.07744	2.9
191.08542	4.5
193.06454	2.3
193.08531	3.0
195.06358	2.6
202.06197	5.8
203.08582	4.0
204.07863	2.7
205.06682	3.5
205.08540	17.2
207.06479	7.1
207.08180	2.1
207.10251	1.8
208.05153	20.6
208.08609	2.8
211.07523	3.4
217.08586	42.8
218.07196	5.6
219.08038	14.0
219.10161	6.5
220.08833	6.6
221.05946	5.2
222.06776	1.6
227.06870	1.9
229.08614	4.8
230.07272	2.8
231.08188	8.4
231.10155	2.8
233.05923	2.8
233.09563	6.3
234.06767	3.0
235.07573	4.4
235.11166	2.5
236.04672	6.8
236.08299	4.6
237.08946	1.9
238.06282	2.9
239.10892	2.7
240.04121	3.2
244.08847	2.1
245.09668	3.7
247.07439	10.7
247.09680	23.8
248.08264	10.9
249.05457	3.6
249.09064	4.1
250.06216	2.6
251.10703	3.2
254.05721	6.7
255.06509	2.3
257.04523	2.1
259.07458	4.3
261.09119	5.3
262.09845	3.2
263.06949	3.8
263.10678	10.0
264.04825	1.6
264.07709	9.7
265.08545	5.1
266.05878	1.8
267.06540	7.0
268.03696	3.7
269.08066	23.1
271.09647	9.3
272.06726	4.7
275.06949	5.9
276.07721	7.9
277.08542	4.5
278.35828	1.8
279.09998	8.8
280.10654	2.2
281.08014	1.9
282.05798	3.1
282.08932	19.0
285.07648	1.7
287.09207	2.3
289.08548	3.1
290.09213	6.7
291.10172	16.3
292.07169	4.4
292.10559	2.9
293.07999	9.4
294.09088	2.6
296.10406	2.7
299.09152	6.3
300.32141	1.6
301.06973	4.6
305.08224	2.4
307.09653	9.7
308.10367	7.1
309.11108	1.7
310.08273	5.4
311.12769	4.0
315.08603	68.2
316.09082	3.7
319.09671	9.3
320.10416	2.0
321.07535	4.1
321.11142	3.9
322.11996	2.1
323.12759	17.4
325.10806	2.6
328.09329	4.7
329.40564	1.8
330.10968	72.9
331.11755	11.1
336.09869	7.1
337.10757	8.2
339.12216	5.4
340.13205	1.9
343.11734	20.8
350.11389	2.3
351.12164	28.0
352.12766	4.4
353.10135	6.7
356.12442	2.9
368.12579	9.9
369.13489	3.7
371.14877	6.0
373.15924	1.8
377.01712	5.6
383.10178	3.4
383.14902	64.3
401.15839	16.3
401.21396	9.4
401.28586	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	401.1572
Annotation	Asn Met His
Peak:m/z	Relative Intensity
56.96572	0.5
57.03423	0.6
58.06592	0.5
61.02383	0.5
63.60297	0.5
70.06575	1.3
70.15878	1.5
70.16273	1.0
72.08123	0.5
79.05471	0.7
95.04977	0.5
102.61411	0.5
105.07058	0.6
107.04916	0.6
109.98453	0.5
113.02338	0.6
115.05482	0.6
123.04438	1.1
132.61566	0.5
136.51692	0.5
153.01759	0.5
156.05791	0.9
167.07013	2.5
170.06046	0.8
179.67131	0.5
187.07617	0.6
189.05264	0.7
204.07593	4.0
205.08524	0.9
217.08476	0.7
219.10089	0.5
222.48093	0.6
247.07423	0.6
248.08241	0.5
269.07892	0.7
315.08652	1.9
330.11041	1.4
351.12189	0.8
353.13571	0.7
377.01553	0.9
383.14920	1.6
401.15701	100.0
402.16046	3.2
416.36462	0.5
417.00079	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75805	2.4
56.96554	14.6
57.62827	2.3
70.20439	10.2
70.20780	2.4
98.97575	82.0
100.67332	2.4
116.98613	97.0
134.99652	64.9
148.79088	2.4
153.00717	15.2
172.94238	2.4
177.00812	4.2
190.95445	3.1
208.96437	3.1
219.02068	8.2
220.02242	3.4
232.96536	5.4
234.96509	2.8
234.99802	8.1
236.00041	3.8
236.99689	8.3
240.98660	3.2
250.97603	4.3
252.97563	5.1
253.01004	3.1
255.00919	3.4
256.96390	4.6
258.99832	50.1
260.00113	5.2
260.99786	10.0
261.03046	8.8
262.03317	3.1
274.97510	48.0
275.97760	5.2
276.97559	18.6
277.00769	100.0
278.01041	7.0
279.00906	19.4
279.03619	3.6
280.01257	3.4
282.99908	21.3
284.97034	2.6
284.99625	12.5
292.98508	42.0
293.98843	5.7
294.98666	11.0
300.02167	4.4
300.97565	9.2
301.00989	55.9
302.01202	8.6
303.00818	30.1
304.00967	5.1
316.98941	5.2
318.98639	28.1
319.02109	5.0
359.01175	6.4
376.98587	17.7
377.02875	8.1
383.00211	6.1
383.66199	2.8
401.01178	28.4
402.01105	5.0
419.02292	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	400.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61621	0.4
56.96548	1.2
57.70256	0.4
61.02903	0.7
69.03422	0.5
69.96839	1.2
69.97235	1.3
70.06588	0.6
76.34213	0.5
81.03388	0.8
85.02875	2.2
89.03919	2.2
97.02885	1.3
98.97596	0.8
107.04965	0.7
110.09747	0.4
116.98618	1.1
117.03378	10.6
117.07022	0.5
119.04942	0.5
120.08133	1.3
122.88136	0.5
123.04379	0.6
127.03988	0.5
131.04932	0.7
134.03664	0.6
135.04369	1.3
137.05959	0.7
145.02835	43.7
146.03156	0.9
147.04401	1.0
149.05977	4.0
153.01816	0.9
161.03215	0.5
161.05952	0.6
163.03841	0.9
174.12816	0.6
177.05460	100.0
178.05795	1.8
181.04947	1.2
186.05476	1.1
224.94722	0.5
237.02675	0.7
238.10727	22.6
238.14459	1.8
312.97867	0.6
326.58014	0.6
400.15887	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	400.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56495	1.8
53.03934	3.6
55.05503	3.5
57.03431	24.8
58.63237	2.2
59.05000	4.8
61.02911	5.2
69.03424	73.9
69.60004	15.0
69.81102	1.8
70.06590	3.7
73.02908	3.9
74.85882	1.7
75.04465	4.1
81.03416	4.4
85.02901	100.0
87.04462	54.7
87.04964	3.9
89.68262	1.9
91.03952	3.6
97.02886	65.1
98.20804	3.7
99.04465	4.9
100.11292	3.9
107.57691	2.0
109.02874	5.6
111.04424	6.2
115.03919	83.6
127.03913	18.3
128.07118	2.9
133.04958	99.9
140.82281	1.9
145.04942	46.8
150.07611	10.7
153.01828	4.0
163.06012	19.2
169.04990	2.5
182.08084	2.3
182.15378	2.7
183.15759	7.3
184.82716	1.7
210.14919	4.7
211.15115	9.5
231.22485	2.1
238.14259	2.0
241.07146	2.1
259.07928	2.8
277.09152	2.0
295.10568	2.4
338.21579	5.1
355.24207	4.7
400.16519	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	400.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89094	0.2
56.05032	8.9
56.96560	0.6
57.03432	1.8
61.02912	0.3
65.44801	0.2
68.17184	0.2
69.03434	0.6
70.06591	1.5
71.59143	0.5
72.08155	0.3
74.06077	100.0
75.04498	0.4
75.06416	1.0
79.05496	0.4
81.03425	0.2
83.04991	0.4
84.04511	1.0
85.02917	1.3
91.05491	0.9
95.04982	0.7
97.02888	0.7
98.06049	3.9
98.97590	0.9
99.04481	0.3
102.05518	0.8
103.05479	0.3
104.05024	0.5
107.04964	0.6
108.95844	0.2
109.02914	0.4
116.07086	41.3
117.03358	0.6
117.07452	0.4
119.01864	0.2
119.04930	0.3
121.10044	0.2
123.04453	0.3
134.99677	0.5
136.15794	0.2
137.05998	0.3
141.01820	0.2
144.06552	15.7
145.02864	1.7
145.06480	0.3
147.04401	0.8
149.05943	0.4
150.05377	0.3
153.01776	0.2
163.03827	0.3
166.00294	0.3
167.07031	0.2
173.06113	0.2
177.00656	0.3
177.05464	4.5
181.04985	0.9
194.08151	0.2
201.05653	0.3
210.07591	0.3
219.01863	0.2
221.08063	0.2
227.57518	0.2
237.02875	0.4
238.10709	1.3
245.05003	0.2
248.01630	0.2
312.10718	0.5
340.10333	0.5
358.11288	4.5
382.11295	3.7
400.12216	0.7
400.16763	0.5
401.17609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.8
55.05502	5.6
56.96560	2.8
57.03439	2.2
57.07062	4.0
58.67804	1.8
67.05489	8.4
68.99789	2.3
69.03434	17.2
69.07077	10.8
70.06580	1.9
70.22955	8.4
71.04969	2.4
71.08595	2.6
71.72301	2.0
79.05490	7.4
79.75080	1.7
81.03402	3.7
81.07059	69.2
83.04971	3.4
83.08616	2.1
85.02914	11.2
91.05485	6.6
93.07032	8.2
93.07556	1.9
95.04942	5.6
95.08604	14.6
97.02872	3.4
97.06529	9.4
97.10222	1.8
103.05432	3.2
105.07023	7.7
107.04922	5.2
107.08588	14.0
109.06525	4.7
109.10170	10.6
111.04421	3.0
111.08047	2.6
117.07063	3.3
119.08569	11.8
121.02869	3.0
121.06525	3.1
121.10149	10.7
123.08052	3.9
123.11718	4.0
127.03888	3.3
129.05481	2.4
131.04910	5.9
131.08557	3.0
133.06436	2.7
133.10132	8.2
135.08072	9.1
135.11678	11.4
137.02336	5.3
137.09593	2.7
137.13258	59.0
142.19933	2.0
145.06483	2.1
145.10103	7.8
147.04396	4.7
147.11690	8.8
149.05920	2.0
149.09653	3.5
149.13213	1.9
151.38806	1.7
153.01836	6.1
159.08023	2.7
159.11711	3.2
161.06024	2.4
161.13252	8.0
163.03908	2.1
163.07545	3.6
163.11209	14.0
163.14774	3.7
167.07114	3.1
177.16321	1.8
201.16385	3.0
203.17963	12.3
217.04965	5.8
217.15802	2.8
219.17416	23.2
221.19006	89.0
229.05040	2.9
231.02876	1.9
237.18494	25.4
243.17567	3.0
245.04395	6.2
269.04318	2.8
273.03906	14.9
285.03909	4.9
285.18613	1.9
299.05542	8.4
301.03384	19.7
302.04153	7.3
303.04907	9.9
308.30237	2.1
313.03369	20.6
336.00143	2.0
355.08124	20.3
381.09448	2.3
399.10699	100.0
400.11258	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	399.2013
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
50.46029	0.6
53.03936	3.3
55.01862	3.0
55.05492	1.8
56.01305	1.0
57.03434	6.7
57.12339	0.7
59.04980	1.0
61.02922	10.0
65.58134	0.8
67.05499	2.4
69.03429	29.4
69.07055	1.3
70.06586	1.9
71.01398	0.7
71.04993	4.1
71.08627	0.9
73.02932	4.4
79.05479	2.7
80.71378	0.8
81.03416	10.3
81.07044	3.1
83.01327	1.3
83.08604	0.9
85.02902	59.3
85.06551	1.3
86.03242	1.3
87.04470	6.4
91.03944	2.6
91.05477	3.2
93.07040	12.0
95.04966	1.3
95.08591	3.4
97.02888	17.7
97.06505	2.4
99.04452	3.2
101.02341	0.8
101.06016	0.9
103.05434	1.1
105.07021	5.4
107.08586	6.5
109.02861	6.2
109.06528	6.0
109.10169	2.3
117.06979	1.4
119.08568	5.1
121.06490	1.3
121.10142	34.6
121.11028	1.7
122.10486	0.9
123.04384	1.2
123.08071	6.2
127.03911	12.0
127.07548	0.8
131.04912	1.5
131.08583	5.6
133.10129	8.1
135.08037	2.5
135.11691	10.2
137.05962	2.1
137.09618	2.4
139.07553	0.8
143.08633	1.3
144.09415	0.7
145.04948	4.2
145.10130	2.1
147.04393	2.2
147.11743	2.2
149.05986	1.1
149.09630	1.7
149.13333	1.0
151.07545	22.6
153.01797	1.6
159.08066	1.0
159.11693	6.4
161.09648	5.1
163.07562	1.3
173.13293	5.0
175.11122	1.6
177.12718	5.9
179.10663	1.7
182.82304	0.7
183.02795	1.0
189.05576	0.8
191.14313	6.6
193.12225	4.4
201.12778	2.9
202.31322	0.8
209.07959	0.9
219.13792	21.7
220.14139	1.3
229.21925	0.8
237.14848	63.8
238.15166	2.7
295.10110	0.8
355.08130	4.2
356.08502	1.1
375.98105	1.4
378.02213	0.7
395.03140	1.2
399.20114	100.0
400.20337	5.7
414.42975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.5
51.02387	0.5
53.03933	0.9
55.01854	0.7
55.46780	0.4
57.03434	6.7
61.02917	2.7
69.03420	8.7
69.61064	1.9
69.61492	2.2
70.06610	0.6
71.04981	1.5
73.02907	1.7
75.04482	1.7
75.95547	0.5
81.03420	5.3
83.04933	0.6
85.02898	26.7
87.04461	1.3
88.49271	0.5
91.03941	0.8
91.05493	0.8
95.04959	0.9
97.02895	8.3
98.97607	0.7
99.04411	2.4
102.04639	1.0
103.03995	3.5
103.05464	45.8
104.05767	0.8
105.07045	1.2
109.02853	3.6
115.05481	0.6
116.98653	0.9
117.04140	0.5
117.05476	0.7
127.03922	6.5
129.05486	0.7
130.04155	1.7
131.04922	100.0
132.05261	1.4
133.06458	1.2
145.02950	0.6
145.04961	3.8
145.05934	0.6
148.05190	12.7
148.06310	0.9
153.01814	2.5
158.07309	0.6
159.06554	0.5
160.05200	1.0
161.05966	4.8
162.06723	1.1
163.07533	47.0
175.07520	1.4
177.05443	2.5
189.07574	0.5
191.65799	0.5
201.07477	0.9
201.09111	1.8
237.02895	0.6
237.11220	1.8
238.10840	1.0
399.15927	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.4
71.34395	0.6
73.25427	0.3
74.06030	0.4
77.35544	0.3
83.04959	0.3
85.02908	0.4
94.04105	0.2
97.02881	0.9
105.95663	0.3
107.04908	0.3
116.98577	0.5
131.05000	0.3
136.06186	1.9
137.13792	0.3
147.37859	0.3
149.33978	0.3
153.01845	0.7
179.45642	0.3
184.81757	0.3
193.01750	0.6
211.02731	1.3
237.07324	0.5
245.03378	0.6
250.09346	0.5
255.01765	0.4
271.07550	0.5
372.30136	0.3
399.12610	100.0
400.12912	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1073
Annotation	Piscerisoflavone E
Peak:m/z	Relative Intensity
55.01868	2.0
55.05503	2.4
57.03417	1.3
67.01862	1.9
67.05495	2.1
68.99773	4.8
69.03423	2.5
69.07073	1.1
69.78952	2.5
69.79362	3.9
70.06564	1.8
71.08625	1.2
73.59512	1.0
74.98248	1.0
79.05479	2.8
81.03391	1.0
81.07027	2.0
83.04964	2.4
85.02895	2.5
91.05444	1.1
93.07059	1.0
95.08570	1.0
97.02868	2.3
97.06535	3.0
97.41442	1.0
101.05993	1.1
103.05452	3.0
105.07030	1.8
107.04996	1.1
109.02818	1.2
111.00806	2.6
115.05447	2.3
121.02857	1.8
121.10155	1.5
123.04422	3.0
127.03885	1.4
129.07010	2.5
131.04927	3.5
131.08597	1.4
132.04257	1.1
133.06531	1.5
135.08101	1.2
137.02351	2.2
139.03862	2.4
143.08582	2.5
145.06441	2.1
145.10141	1.3
147.04404	2.7
153.01823	100.0
153.06973	2.3
155.03348	1.5
155.08504	1.3
157.06429	1.2
159.08069	1.7
160.05119	1.3
161.05969	6.4
163.07520	2.3
163.90744	1.1
165.01785	5.2
165.05495	0.9
165.06937	1.4
167.07104	1.6
169.06444	1.3
171.02861	2.6
173.06020	4.6
175.03853	1.7
175.07521	3.5
181.01312	1.3
181.06464	3.7
182.50282	1.0
185.05981	1.5
187.07568	1.6
189.05453	2.5
189.09113	1.8
197.05852	1.1
199.07561	5.2
200.04686	1.5
201.05389	2.2
201.09064	1.6
203.03374	3.1
203.06996	1.6
211.07584	1.8
215.07001	1.9
217.05019	2.6
217.08525	1.9
227.06996	5.5
229.04918	2.6
229.08595	4.7
231.06511	2.5
241.08710	1.3
242.05841	1.0
243.06590	1.5
245.04382	1.3
245.08058	2.8
250.06142	1.1
253.04889	1.3
255.06589	12.7
255.09091	1.5
265.05280	1.1
265.65427	1.1
269.04498	2.6
269.08115	1.9
270.05243	3.0
271.05951	1.5
273.03992	5.1
273.07562	20.2
279.06339	1.6
282.05157	2.0
283.05853	2.0
285.03915	3.0
292.07266	1.4
295.06015	2.1
297.03888	3.3
297.07458	2.2
298.04688	3.7
299.05417	2.9
301.03445	3.6
302.04227	3.0
303.04886	10.8
307.06012	1.7
307.09601	2.3
309.07458	3.5
311.05481	6.1
311.08899	2.3
313.03598	6.7
313.06796	2.1
317.07825	1.8
319.95804	1.3
324.06049	2.1
325.07004	5.3
326.04184	2.6
327.05099	7.2
334.04767	2.3
335.09149	6.0
337.07065	2.9
339.04974	3.5
339.08643	2.1
342.07126	1.4
353.06470	1.3
353.10144	5.4
355.03787	1.4
355.08121	34.8
363.08762	5.6
381.09656	49.0
382.09967	1.3
399.10690	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	399.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.5
57.07066	1.2
59.68842	0.8
60.39586	1.0
71.04379	2.4
71.08629	1.4
72.08158	1.4
74.06075	1.4
85.02881	2.8
95.69419	0.9
97.02877	1.1
98.97565	2.7
107.04930	1.0
107.84974	0.8
111.04425	1.0
116.98605	1.3
120.55865	0.9
128.98653	1.6
129.05466	1.2
134.99651	2.5
136.06105	1.2
146.99654	1.3
147.04393	3.1
147.06506	2.1
148.04695	1.1
153.01816	1.7
161.01199	1.2
166.71068	0.9
213.00714	2.1
219.01828	2.0
237.02843	4.8
250.09465	1.0
339.03833	2.1
357.04895	2.7
362.25470	1.0
381.04315	1.4
399.08987	100.0
400.09302	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	398.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85915	3.3
57.03436	21.3
59.04981	6.5
61.02909	5.4
69.03429	75.2
69.07061	19.6
69.21284	4.0
70.94775	10.8
73.02914	4.0
79.05467	4.1
81.03426	6.4
81.07054	4.6
85.02906	74.8
85.83441	4.2
87.04462	55.3
91.03961	4.8
91.05437	5.1
93.07003	6.6
94.51562	3.6
97.02885	62.0
111.04456	4.3
111.08065	12.3
115.03928	84.6
118.10791	3.7
123.04410	4.5
123.08088	4.3
127.03901	15.6
133.03996	6.2
133.04964	100.0
135.08006	5.3
137.09695	3.6
145.04974	26.8
150.07626	10.2
163.06075	18.1
183.10268	6.0
184.36774	3.2
201.11203	8.6
253.49342	4.2
267.52661	3.7
295.10257	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	398.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12729	0.5
53.40324	0.6
56.96570	1.2
57.05802	0.6
62.65701	0.6
69.03423	1.4
70.06572	1.9
70.83850	1.7
72.08153	37.6
85.02908	0.8
90.09185	1.3
91.05480	5.4
97.02910	0.8
98.97551	0.9
107.04921	0.8
116.98582	1.0
119.04942	14.8
127.03930	0.7
134.99651	0.9
147.04401	100.0
148.04750	1.6
165.05443	1.0
190.12328	0.7
191.07042	9.4
213.00697	0.6
236.12740	1.6
237.02859	1.4
291.08710	0.7
301.12207	0.6
309.09744	1.5
339.03903	1.1
398.07196	0.8
398.11493	3.6
398.18048	12.6
399.05038	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	28.3
57.07071	31.3
67.05490	39.9
69.07055	43.1
69.07465	9.6
70.07615	10.8
70.62930	24.0
71.08616	32.9
72.36015	11.7
79.05472	33.8
81.07048	78.1
83.08617	27.9
85.10189	23.7
91.05486	32.3
93.07026	28.6
95.08595	71.5
97.10175	13.1
105.07025	53.2
107.08595	38.2
109.10152	54.2
117.05944	12.9
119.08553	23.2
121.10126	23.8
123.11669	17.2
133.10123	15.3
135.11681	43.3
147.11694	70.9
149.13246	26.5
151.03751	12.0
161.13261	61.9
162.41655	11.8
175.14847	21.3
201.16386	14.1
203.17876	17.5
289.33002	13.0
341.07373	11.9
397.38428	100.0
408.00198	12.7
418.76752	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	397.2201
Annotation	His Leu Gln
Peak:m/z	Relative Intensity
50.48238	0.4
55.05489	0.6
56.96550	0.7
67.05495	1.4
69.03428	0.5
69.07060	0.6
69.24870	0.5
69.33229	0.4
70.24645	1.1
70.25052	1.3
76.84614	0.4
79.05488	0.8
81.07035	1.5
85.02866	0.9
91.05458	1.6
95.04970	0.8
95.08566	0.6
105.07008	1.0
107.04894	0.7
107.08566	0.6
117.06999	0.7
119.08559	0.7
121.02839	1.1
121.10162	0.7
122.03623	1.0
129.06955	1.2
131.08571	0.5
137.05977	14.0
141.07057	0.6
143.08533	0.9
147.04337	1.0
149.05913	0.8
151.03886	0.6
151.07516	0.7
155.08575	0.8
159.08034	0.6
161.05977	1.1
167.08438	0.5
171.07849	0.5
181.06514	0.5
183.08073	0.6
194.07303	0.6
199.07462	0.6
201.09196	0.9
202.07716	0.9
203.05234	0.8
213.09079	1.6
225.09021	0.7
229.10184	0.9
231.07898	0.6
241.10298	0.7
243.10159	1.0
245.09624	1.2
246.10298	0.6
257.09427	0.8
258.10229	0.6
261.08859	0.8
263.78516	0.5
269.09784	0.5
273.11383	1.1
274.09839	0.5
275.10614	0.6
277.12122	1.1
285.09085	1.2
289.12161	0.6
291.10150	1.2
303.10342	0.5
304.10699	0.5
305.11499	0.9
307.09772	0.7
317.11658	0.8
326.07758	0.8
333.11322	1.1
334.11630	0.5
335.12808	0.9
346.11801	0.6
349.14307	0.7
351.16058	0.5
367.15326	1.2
379.15332	2.5
397.16519	17.1
397.21860	100.0
398.16678	1.4
398.22253	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	397.1645
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
53.25959	0.9
56.96552	1.1
57.03421	1.0
64.25431	0.8
65.03915	1.0
67.05502	1.1
71.12737	1.9
79.05502	2.2
81.03348	1.3
81.07048	1.9
83.04987	1.3
85.02895	1.9
91.05482	11.3
93.07055	1.1
94.04166	2.1
95.04924	1.7
95.08598	1.6
103.05464	3.2
105.07047	2.8
107.04926	2.1
107.08550	1.4
109.06528	2.3
111.04424	1.2
115.05476	2.3
116.06232	1.5
117.07004	1.3
119.04926	5.7
119.08563	1.7
121.02894	1.0
121.06451	1.3
122.03644	7.9
125.57943	0.8
128.06224	3.8
129.07007	5.7
131.04907	3.4
131.08571	4.5
133.02846	1.1
133.06458	1.7
133.10127	1.5
135.04431	1.0
137.05968	93.9
138.06226	1.0
141.06992	4.1
142.07768	3.5
143.08546	2.2
144.05704	2.0
145.06445	1.8
146.07275	0.9
147.04393	3.7
147.08040	1.7
149.05992	5.4
151.03845	1.5
151.07530	12.9
152.06190	1.3
153.06985	2.7
154.07761	1.3
155.08560	3.9
157.06488	4.0
157.10078	1.3
158.07256	3.3
159.08022	8.1
161.05974	14.2
161.09598	2.7
163.07555	1.9
165.07027	3.0
166.07686	1.2
167.08525	3.6
168.05684	1.0
169.06470	3.3
170.07253	2.0
171.08089	5.4
172.08838	3.7
173.05922	2.2
173.09633	3.5
174.06731	1.2
175.07448	4.3
181.06485	4.1
182.07230	5.8
183.08037	3.1
184.05150	1.4
184.08841	3.7
185.05994	2.1
185.09596	10.5
186.06786	1.8
187.07582	6.2
187.11185	1.6
189.09116	2.6
189.12756	2.2
191.07018	6.2
194.07216	2.8
195.08049	3.4
197.05911	2.1
197.09615	9.2
198.06740	19.2
199.07516	10.3
199.11238	1.5
200.08287	3.2
201.09172	5.8
204.09204	1.3
205.08507	1.4
209.09575	1.4
210.06725	2.7
211.07498	3.9
212.08292	5.3
213.09058	22.2
213.10957	1.5
214.09917	0.9
215.08682	1.8
215.10625	7.4
217.08582	2.9
217.10219	2.5
217.15846	5.7
218.07248	1.4
219.08041	1.6
222.06743	1.3
225.09076	10.6
227.10666	1.7
228.07802	1.3
229.08408	2.2
229.10355	1.9
230.07260	1.4
231.08060	3.7
231.10101	1.6
233.09586	2.8
235.16838	2.1
242.09441	1.3
243.07906	1.9
243.10123	19.1
244.08797	1.5
245.09554	2.6
245.11795	2.6
246.06874	1.4
246.10298	2.0
247.07597	1.6
248.08316	2.5
249.05528	1.1
249.09059	1.5
253.08502	1.3
255.10202	7.5
257.09543	2.8
258.10379	1.2
259.07529	3.1
259.11145	1.6
260.08276	3.1
261.09036	5.6
262.09659	2.1
263.10660	1.8
264.07742	2.5
265.08615	3.3
269.09598	1.8
271.07532	3.6
272.08212	2.1
273.11243	61.5
274.09665	2.6
275.07257	1.8
275.10660	3.7
276.07846	3.5
276.11349	0.9
277.08536	4.6
277.12180	2.9
278.09253	2.4
280.07419	1.1
283.09738	1.2
285.09100	3.5
286.09760	2.3
287.06888	1.8
287.10611	1.6
288.07843	2.8
289.08563	5.2
289.12222	4.3
290.09399	3.2
291.10098	7.6
292.07285	2.5
292.10788	2.2
293.08081	3.6
293.11658	3.9
301.08652	2.7
302.09253	2.7
303.10086	5.9
304.10846	2.5
305.08051	2.6
305.11731	5.4
306.08658	2.9
306.12122	1.6
307.09628	13.4
307.13040	2.0
308.10428	7.3
309.11185	2.0
315.10004	2.3
317.11639	6.1
319.09796	2.0
319.13144	1.7
320.10468	3.2
321.11105	8.8
322.11682	1.3
323.12720	2.4
325.10730	3.4
329.11743	1.5
331.09521	1.8
333.11301	4.7
334.12073	3.0
335.12732	7.8
336.13522	3.6
337.14401	2.1
339.12439	4.7
346.11935	1.3
347.12701	1.6
348.13492	1.3
349.10822	1.1
349.14362	6.5
351.12250	16.7
351.16364	1.6
352.12735	1.3
353.13837	3.4
354.14627	24.3
361.14319	3.3
365.13950	1.5
366.14514	1.6
367.15359	5.3
379.03177	1.1
379.08005	1.2
379.15405	17.3
397.16446	100.0
398.16672	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1643
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
55.01863	1.5
59.88819	0.9
67.05500	1.6
68.99771	1.6
69.03411	1.5
69.07066	0.9
69.51641	1.6
69.52041	4.1
79.05473	3.0
81.07029	2.4
89.03918	1.4
91.05478	13.7
94.04152	1.8
95.04948	3.1
95.08649	0.9
97.02912	1.1
103.05439	3.6
105.07016	3.2
107.04942	2.6
107.08557	1.4
109.06493	2.4
109.10192	0.9
111.04427	1.3
115.05457	2.5
117.03366	1.5
117.07001	1.3
119.04939	7.2
119.08595	1.7
120.08173	0.9
121.06482	1.8
121.10117	1.1
122.03650	6.6
123.04446	1.5
123.08047	1.1
125.06025	1.0
128.06229	4.9
129.07014	8.5
131.04924	3.1
131.08537	4.0
133.02852	1.2
133.06462	1.4
133.10094	1.7
135.04430	1.1
135.08038	1.4
137.05968	90.6
138.06291	2.2
141.06966	4.6
142.07774	2.3
143.08527	3.4
144.05672	3.8
145.02818	1.3
145.06438	2.5
146.03618	1.3
146.06079	1.3
147.04387	5.8
147.08015	2.2
149.05980	5.9
149.09706	1.0
150.06776	1.5
151.03864	1.3
151.07523	10.9
152.06181	1.6
153.01813	5.4
153.05498	0.9
153.06961	4.0
154.07765	1.7
155.08626	4.9
157.06444	4.4
157.10123	2.1
158.07231	3.7
159.08047	7.1
161.05972	15.3
161.09598	4.6
162.11513	1.0
163.07503	2.2
165.06938	5.2
166.07787	1.5
167.08537	2.3
168.05658	1.4
169.06459	3.1
170.07182	1.9
171.08061	4.5
172.05127	1.4
172.08859	4.6
173.05975	1.3
173.09639	3.2
174.06750	1.7
175.07477	4.8
177.05418	2.4
178.05772	1.0
179.03375	1.2
181.06458	2.5
182.07310	7.3
183.04343	1.4
183.08002	4.5
184.05132	2.1
184.08769	4.0
185.05954	2.1
185.09595	10.6
186.06770	2.3
187.07555	6.8
187.11128	2.1
188.06889	0.9
189.05363	1.1
189.09085	3.7
189.12801	2.0
191.07039	6.7
193.06477	1.0
194.07256	2.5
194.32512	0.8
195.08072	3.1
197.06004	2.1
197.09593	10.5
198.06744	17.4
199.07520	10.2
199.11105	1.4
200.08325	2.1
201.05426	1.3
201.09045	4.2
202.07819	1.7
203.03267	0.9
205.06647	1.0
205.08507	1.3
207.02895	2.0
209.05946	1.0
209.09561	1.3
210.06784	4.6
210.14894	2.5
211.07520	4.1
212.08311	5.9
213.09093	27.2
214.09656	0.9
215.08623	2.0
215.10646	7.1
217.08540	3.2
217.10313	1.6
217.15869	2.6
219.08073	1.6
221.06012	1.1
223.07529	0.9
224.08316	1.4
225.09085	13.9
225.11153	1.6
227.10641	1.2
228.07748	1.6
229.08382	2.1
229.10326	2.0
230.57681	0.9
231.08023	3.2
231.10052	1.2
232.08842	1.8
233.05846	1.1
233.09532	2.0
235.07516	1.1
235.16954	1.9
237.09023	1.5
242.07108	1.4
242.09334	2.1
243.06247	1.8
243.08119	1.7
243.10168	18.8
245.09560	3.4
245.11771	1.9
246.10374	1.6
247.07550	1.9
247.11107	1.3
248.08284	2.1
249.09145	1.7
250.09874	1.3
253.08250	1.0
255.10175	7.1
257.09546	3.0
258.06607	1.1
258.10382	1.0
259.07504	2.7
260.08344	2.6
261.09042	4.9
262.09784	2.6
263.10709	1.8
264.07794	3.0
265.08566	3.4
271.07626	2.6
272.08194	1.8
273.11240	69.5
274.09872	2.7
275.07367	0.9
275.10553	4.5
276.07788	3.3
276.11215	0.9
277.08524	5.3
277.12314	2.6
278.09421	1.3
279.06564	1.1
279.10098	1.8
285.09180	4.7
286.09729	1.8
287.10443	1.8
288.07800	1.5
289.08554	4.6
289.12192	2.6
290.09329	2.6
291.10043	7.4
291.13123	1.3
292.07410	2.0
292.10944	3.0
293.08060	4.0
293.11624	5.3
297.11389	1.0
301.08453	2.7
301.12018	1.1
302.09378	2.4
303.10123	4.7
304.11121	1.0
305.08063	2.9
305.11719	4.7
306.08917	2.4
307.09589	10.4
308.10373	5.9
309.11368	1.0
315.10172	1.6
317.11560	4.2
318.08969	1.8
318.12509	1.1
319.09583	4.7
319.13129	1.7
320.10361	3.3
321.11249	6.9
322.11923	1.0
323.12827	2.5
325.10626	3.6
331.09708	1.6
332.10449	1.0
333.11234	3.8
333.60764	1.6
334.11789	2.3
335.12695	5.8
336.13422	3.4
337.14230	2.0
339.12259	3.1
346.11868	1.5
347.12534	2.0
348.13376	1.2
349.14288	6.6
351.08521	1.6
351.12234	11.3
351.15979	1.6
353.13858	3.5
354.14590	20.5
361.14386	2.5
365.13730	1.9
367.15317	4.7
374.97803	1.2
379.15378	14.4
397.09106	12.0
397.16425	100.0
398.09210	1.3
398.16837	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	397.1644
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
51.48472	0.9
55.01868	1.4
61.21849	0.9
65.03952	1.4
69.03433	1.2
70.01836	4.3
79.05492	2.6
81.03423	1.0
81.07069	1.4
85.02887	1.7
91.05474	12.3
94.04173	3.3
95.04972	1.1
98.97620	1.1
100.81701	1.1
103.05460	4.0
105.06981	2.4
107.04955	2.9
109.06534	1.7
115.05482	2.8
117.07014	2.6
119.04957	6.3
119.08577	1.2
121.06493	1.8
122.03646	10.0
125.05930	1.6
128.06241	4.8
129.06995	9.5
131.04976	3.2
131.08514	5.7
133.02832	1.2
133.06526	2.2
133.10188	1.6
135.04451	1.3
135.08009	1.3
137.05968	97.4
141.06978	4.4
142.07771	3.3
143.08548	2.4
144.05719	3.2
145.06485	2.8
146.07262	1.9
147.04405	4.3
149.06006	5.8
151.03906	1.5
151.07544	13.3
152.06204	1.6
153.07007	3.4
154.07802	2.3
155.08575	5.6
156.05556	1.0
157.06509	3.6
157.10201	1.0
158.07278	4.2
159.08029	6.1
161.05975	13.8
161.09613	3.0
163.07587	2.6
165.07005	4.4
165.92584	1.2
166.07793	1.5
167.08615	3.1
168.05714	1.9
169.06483	3.4
170.07286	3.4
171.08066	6.4
172.08812	3.6
173.09624	3.1
174.10368	1.1
175.07556	4.3
179.08577	1.1
181.06467	3.5
182.07297	7.4
183.04448	1.2
183.08051	4.8
184.05197	1.6
184.08827	3.6
185.05986	3.4
185.09596	10.0
186.06705	2.7
187.07507	7.2
187.11169	3.0
189.09126	3.3
189.12733	1.7
191.06981	9.1
191.08514	1.5
193.06439	1.6
194.07326	2.9
195.08043	3.1
196.08588	1.5
197.06044	2.8
197.09608	8.4
198.06747	18.0
199.07562	9.1
199.11314	1.4
200.08284	2.6
201.09085	3.4
202.07805	1.2
203.08682	1.3
203.10522	1.4
205.08638	1.5
209.06082	1.3
209.09459	1.3
210.06754	4.4
211.07501	6.1
212.08278	4.7
213.09097	26.1
214.09680	1.2
215.08762	1.7
215.10687	6.6
217.08557	2.7
217.10318	1.8
219.08116	2.0
221.05789	1.0
224.08330	1.7
225.09082	13.2
227.06982	1.2
227.10684	1.4
228.07692	1.7
229.08368	2.2
229.10345	2.0
231.08061	3.9
231.10178	2.2
232.08829	2.2
233.09712	1.4
235.07440	1.7
242.09401	2.3
243.07968	2.2
243.10121	20.2
244.08534	1.1
245.09628	4.9
245.11824	2.8
246.06909	1.1
246.10246	1.2
247.07538	2.2
248.08359	3.0
249.09137	1.3
255.10219	7.5
257.09760	4.1
258.06866	1.5
258.10419	1.3
259.07578	3.9
259.11151	2.4
260.08331	3.4
261.09079	6.7
262.09830	3.7
263.07141	1.4
263.10605	1.5
264.07837	2.9
265.08514	5.0
269.09738	1.8
271.07608	6.2
272.08267	2.1
273.09085	3.4
273.11249	63.6
274.06653	1.0
274.09540	1.6
274.11990	1.5
275.07007	1.1
275.10687	4.4
276.07794	5.0
276.11792	1.0
277.08615	6.3
277.12125	2.2
278.09317	2.1
279.06641	1.8
279.10120	1.7
285.08966	4.7
286.09821	1.7
287.07413	1.8
287.10721	2.8
288.07867	4.8
289.08646	7.4
289.12039	2.4
290.09375	3.7
291.10175	10.1
292.07205	3.7
292.10651	2.2
293.08069	5.3
293.11713	5.1
294.08755	2.0
301.08575	3.1
301.12057	2.0
302.09454	3.6
303.10181	7.7
304.10709	2.0
305.08081	2.9
305.11743	6.4
306.08847	3.7
306.12354	1.5
307.09625	15.8
307.13129	2.1
308.10376	9.9
309.11316	2.2
315.10040	1.2
317.11584	5.2
318.08917	1.2
318.12457	1.7
319.09583	4.2
319.13361	3.0
320.10300	4.5
321.11218	10.5
322.12006	1.7
323.12787	2.1
325.10773	4.0
329.11832	1.7
331.09641	1.7
333.11227	4.4
334.11984	3.7
335.12668	9.5
336.13608	6.2
337.14288	2.6
339.12317	4.9
339.15936	1.1
346.12015	1.2
347.12738	1.9
348.13742	1.3
349.14307	7.6
351.12192	20.6
351.16296	1.1
352.12793	1.5
353.13828	4.3
354.14590	27.2
355.15277	1.2
361.14401	3.3
365.13791	2.3
366.14661	1.8
367.15515	5.4
379.15384	18.3
397.16470	100.0
398.16837	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	395.2038
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
55.72691	0.2
69.09156	0.2
71.14790	0.3
71.15135	0.4
74.70660	0.2
113.15436	0.2
121.02863	0.2
147.04413	0.5
185.04294	0.2
215.18468	0.2
243.81749	0.2
284.78302	0.2
395.20374	100.0
396.20816	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.3
53.03939	0.3
67.05505	0.2
68.99779	0.8
69.77298	0.5
69.77712	0.9
78.03450	1.2
80.04556	0.3
80.05008	4.2
92.50083	0.2
95.04952	0.7
96.04483	2.6
98.21469	0.4
105.03366	0.5
106.02903	3.2
111.00814	1.4
123.04423	39.6
124.03944	100.0
125.04268	1.5
134.68440	0.2
135.04408	2.5
137.02353	0.3
139.03889	4.5
147.03236	0.2
147.04407	4.7
148.90579	0.2
151.03923	1.4
163.03899	1.0
163.07480	1.0
189.05492	1.1
227.06999	0.5
228.06560	0.3
255.06526	0.5
258.07562	0.9
273.07556	10.1
274.08084	0.4
279.05017	0.3
396.10730	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	397.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.5
58.63603	0.6
69.85988	2.4
69.86409	1.1
85.02876	1.0
89.92871	0.5
98.97620	0.9
119.01945	0.6
147.04419	1.2
149.02101	1.4
152.06741	0.6
153.01863	1.6
168.14574	0.6
177.74736	0.7
183.32579	0.6
211.04346	0.8
235.05830	1.8
255.45294	0.6
290.53290	0.6
299.54208	0.6
353.08472	2.0
367.09970	5.8
397.11099	100.0
398.11649	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	395.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85418	2.3
69.84478	9.3
79.86582	2.0
184.73778	2.1
248.89693	2.7
258.92676	2.3
286.44391	2.4
395.09515	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	394.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95262	2.6
56.96555	5.9
58.06600	3.3
69.03411	3.2
70.14983	8.8
70.15373	6.7
70.98054	3.8
73.18604	2.4
80.06361	2.8
81.03393	9.2
83.85155	2.8
85.02885	7.7
91.44893	2.9
97.02880	8.5
98.97583	3.2
105.86062	2.7
107.04871	4.0
109.02854	8.0
116.98564	3.6
123.04411	3.6
127.03902	8.3
141.15965	2.7
153.01826	100.0
171.02835	13.2
273.76657	2.7
297.06036	12.1
315.07071	16.6
394.34839	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	394.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	10.0
69.03434	8.1
70.89523	11.8
77.00881	3.3
79.05495	5.4
81.03433	4.7
84.04517	5.1
84.08140	30.2
85.02901	25.6
86.09698	5.0
91.05472	17.7
95.04944	8.7
96.86056	3.2
97.02885	10.2
98.97572	5.0
107.04941	28.7
111.78717	3.5
116.98617	3.6
119.04940	57.3
120.08102	13.2
121.06478	6.5
127.03911	5.8
134.09631	3.7
135.04399	15.6
136.06146	4.3
137.05951	43.1
137.33925	3.2
145.04958	6.3
146.99646	5.0
147.04405	86.1
148.04793	5.5
149.05963	12.2
151.07567	10.3
153.01819	13.5
162.04088	3.3
165.26939	3.7
167.07001	19.8
172.95207	9.6
177.00777	4.5
177.05399	5.3
179.07040	100.0
179.08549	7.4
190.96275	6.8
219.01753	4.3
221.03822	4.3
237.02805	6.5
290.49884	4.2
330.20102	4.8
349.50000	4.2
394.34875	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	393.1883
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
67.05486	0.7
70.44247	0.3
70.95290	0.6
70.95624	0.4
72.70071	0.3
73.07880	0.3
79.05477	0.6
80.00081	0.3
81.03403	0.5
81.07038	0.5
83.21046	0.3
85.02893	0.3
85.85291	0.3
88.50100	0.4
91.05423	0.8
93.07025	0.3
95.08589	0.6
105.07027	0.9
107.08535	0.6
108.30225	0.3
109.02858	0.3
109.10149	0.5
121.02830	0.7
141.88422	0.3
147.04446	0.6
156.09009	0.4
185.13298	0.6
201.03723	1.3
203.05257	34.0
204.05638	0.5
213.12480	5.7
215.53271	0.3
231.13705	1.3
244.07930	0.6
246.54037	0.3
299.05374	0.5
339.26624	0.3
393.18817	100.0
394.19153	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	393.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57341	0.4
69.37798	3.5
69.67305	0.4
81.07020	0.7
85.02914	0.6
98.20813	1.0
105.75936	0.4
121.02839	0.8
121.10184	0.4
123.04415	0.4
126.51329	0.4
131.49751	0.4
135.04404	0.5
147.04401	0.6
153.01764	0.6
171.55315	0.4
185.13264	0.8
201.03740	1.3
203.05243	32.6
213.12540	5.4
231.13612	1.0
244.07869	0.6
295.83075	0.5
297.50858	0.4
393.18820	100.0
394.19064	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	393.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01212	4.6
51.30347	3.4
51.30612	4.0
53.03936	8.6
55.05496	18.6
57.07071	21.9
58.84089	3.7
65.75809	3.6
67.05501	36.0
69.03429	5.7
69.07059	25.4
70.86546	4.8
71.08619	8.0
78.05366	3.9
79.05482	39.8
79.33240	3.6
81.07054	62.9
83.08608	16.1
85.10171	7.7
91.05477	59.5
93.07034	83.8
93.07618	5.9
95.04961	65.4
95.08034	7.1
95.08593	70.1
97.06532	10.3
97.10133	4.9
98.98472	24.8
103.05421	5.5
105.07022	100.0
107.08585	56.8
109.06513	15.9
109.10146	39.7
115.05415	7.6
117.07005	20.3
119.08566	96.1
121.06496	16.9
121.10133	34.8
123.08054	5.4
123.11703	11.6
125.95973	4.2
128.06183	11.6
129.06982	21.4
130.07756	8.9
131.08559	46.4
131.62485	4.4
133.10115	53.5
135.08028	7.6
135.11671	26.3
141.06975	12.0
142.07797	28.4
143.08562	38.0
144.09351	9.5
145.10110	62.3
147.08055	9.0
147.11644	28.7
149.09622	6.5
149.13228	4.9
155.01013	41.7
155.08543	14.9
156.09308	15.2
157.10126	57.8
158.10774	4.8
159.07999	5.5
159.11667	48.5
161.09607	17.2
161.13223	10.9
163.11136	6.3
168.09233	8.1
169.10124	28.7
170.10849	9.2
171.11664	26.8
172.12399	4.2
173.09491	7.0
173.13266	26.1
175.11183	13.8
175.14764	15.4
177.12721	4.0
181.10117	10.1
183.11674	16.7
184.12436	4.5
185.13254	11.1
186.13954	6.2
187.11198	4.4
187.14847	11.1
193.10135	4.9
195.11697	10.1
197.13303	19.0
199.14767	6.1
201.12708	6.0
201.16380	9.2
207.11646	8.7
209.13269	19.8
211.14825	9.4
221.13159	9.2
223.14702	9.1
239.17879	4.5
253.15781	5.3
393.27707	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.188
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
56.96564	0.6
59.54404	0.3
63.98051	0.3
67.05505	0.5
69.03429	0.5
69.37094	3.6
70.06583	0.7
74.00666	0.4
78.03443	1.0
81.03429	0.5
81.07047	0.6
85.02890	0.7
89.05992	0.4
91.05477	0.4
95.05017	0.3
95.83598	0.5
96.04460	0.6
98.20815	0.9
105.07013	0.5
106.02903	3.1
120.08092	0.6
121.02859	8.1
124.03969	0.6
131.04930	0.4
137.02356	0.9
140.07080	0.5
147.04424	0.6
151.03876	0.9
153.01799	0.4
155.04924	0.3
156.49478	0.4
160.05168	0.4
161.06009	0.5
162.06232	0.4
170.03598	0.8
171.04300	0.4
198.03185	1.0
199.03897	1.2
200.25154	0.4
201.05482	1.2
203.03403	0.5
205.05013	0.4
211.04060	0.4
215.03459	1.0
215.07018	0.9
216.04150	1.4
217.04927	0.9
227.03412	0.7
229.04947	0.7
233.04395	0.4
239.03441	0.7
243.02834	0.7
244.03682	1.1
245.04350	0.9
254.01997	0.4
255.02930	1.3
257.04453	0.6
261.03979	1.1
271.06088	0.6
273.03885	1.8
283.02457	0.6
285.04062	0.4
287.09079	1.3
299.01831	0.4
300.02676	2.0
301.03247	2.6
311.01761	0.5
347.04175	0.8
393.18811	100.0
394.19119	3.7
411.05759	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.8
59.50521	0.5
62.27209	0.5
65.03936	0.7
69.03426	0.9
69.07068	0.7
70.06564	0.8
71.60077	1.2
79.05498	0.8
81.03429	0.8
81.07061	1.2
85.02879	2.4
85.06517	0.7
86.09717	0.6
91.05484	1.5
93.07069	0.9
103.05448	1.4
105.07014	1.0
106.02923	3.9
107.08570	0.8
109.02866	0.7
109.10123	0.9
115.05432	1.0
115.99088	0.6
120.08147	0.8
121.02868	17.1
124.03937	1.0
129.92349	0.6
131.04933	1.1
132.05669	0.9
134.99701	0.9
135.11687	0.7
137.02345	3.9
137.05972	1.5
141.25031	0.6
143.04900	1.2
145.06438	0.7
147.04416	1.2
149.05933	0.6
151.03886	1.4
153.01796	0.7
155.04959	0.9
160.05170	0.7
161.05969	0.7
163.03888	0.8
170.03616	2.2
171.04456	2.1
183.04465	1.1
188.04663	0.9
189.05482	1.4
191.03427	0.8
198.03117	2.8
199.03854	2.3
201.01848	1.0
201.05431	2.5
203.03340	1.1
205.04929	0.9
209.16336	0.6
211.04021	1.0
215.03392	2.7
215.06996	2.2
216.04245	3.2
217.04878	1.8
227.03465	1.3
229.04922	2.1
231.02916	1.2
233.04436	1.4
237.02861	0.7
239.03383	2.5
243.02870	1.3
244.03641	4.4
245.04446	1.8
254.02145	1.3
255.02916	1.1
257.04352	1.0
261.03964	2.0
272.03113	1.3
273.03891	3.7
274.08380	0.8
283.02237	1.2
287.09073	2.5
300.02643	3.5
301.03461	6.3
303.05011	0.9
311.01855	1.1
317.02936	0.8
331.08432	0.8
347.04401	1.3
393.18823	100.0
394.19220	3.7
411.05484	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	393.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64007	0.4
56.20827	0.5
56.96532	0.4
62.93528	0.5
63.89382	0.3
67.05486	0.4
68.05016	0.9
69.07028	0.3
70.06580	0.7
71.06001	1.0
73.02898	0.9
81.07061	0.5
85.02869	0.4
109.23614	0.4
114.52650	0.5
123.08020	0.4
124.05017	0.8
125.05953	1.0
130.04984	1.0
131.89345	0.4
140.03424	0.9
147.04355	0.9
149.04608	0.5
151.03918	2.7
151.04921	0.5
152.10789	0.4
153.01799	2.0
166.07382	0.7
166.24585	0.4
172.06020	0.6
179.06970	0.7
197.08076	1.6
201.06467	1.7
202.07187	1.9
203.07904	2.0
204.08800	7.6
214.07359	0.7
215.08025	1.3
216.08795	100.0
217.09471	3.1
218.10344	5.3
225.06454	10.8
226.07236	3.2
227.07932	1.4
228.08786	0.9
229.09509	0.9
230.10370	8.0
234.10054	0.4
238.07199	0.4
240.08786	55.6
241.09521	2.5
246.09822	6.5
255.09866	0.6
258.09857	2.3
268.08261	4.3
272.11392	3.4
283.09418	1.6
286.09354	0.6
297.07495	0.5
300.10898	50.7
301.11057	1.2
311.08911	1.1
315.12274	0.6
333.13046	3.7
343.11697	2.1
361.12534	5.2
375.14105	5.2
391.87207	0.4
393.15173	26.7
394.15594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0812
Annotation	5,7,3',4',5'-Pentahydroxy-3,6,8-trimethoxyflavone
Peak:m/z	Relative Intensity
51.02372	0.1
53.03932	0.3
55.01862	0.5
57.84124	0.2
62.17781	0.2
65.68993	0.2
67.05454	0.2
68.99818	0.1
69.26758	1.8
71.01355	0.4
74.46836	0.1
79.05470	0.2
81.03412	3.2
85.02914	0.2
107.01307	0.4
107.04946	0.2
109.02897	1.3
119.04976	0.3
121.02859	0.4
125.02406	0.2
127.03056	0.3
127.03923	2.8
128.59132	0.1
137.02339	100.0
138.02666	1.5
143.44020	0.2
147.04402	0.5
149.06004	0.5
151.03912	0.6
153.01854	0.7
177.05452	0.8
192.32120	0.2
193.05017	0.2
231.06516	9.8
232.06816	0.2
243.06483	0.9
259.06036	0.3
283.06076	0.9
303.08621	5.6
329.06607	0.4
347.07608	0.6
375.06885	0.3
393.07950	0.5
393.17017	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1934
Annotation	Arg Glu Ser
Peak:m/z	Relative Intensity
52.88379	0.3
65.03942	0.3
67.05502	0.5
69.56207	2.0
69.56631	0.9
70.06590	1.5
71.08646	0.4
74.53731	0.3
79.05500	0.3
84.04485	0.4
84.08149	0.7
84.55978	0.3
86.09715	0.3
91.05458	0.9
93.07040	0.4
97.02874	0.4
98.21496	0.5
107.04909	0.5
120.08129	1.9
125.09652	0.7
130.08632	0.4
135.80450	0.3
137.06027	0.4
140.00252	0.3
148.11263	0.5
149.02353	2.4
167.07227	0.4
229.14082	8.4
229.16228	0.6
301.10364	1.0
329.10327	0.5
351.09235	0.3
391.09955	5.8
391.19342	100.0
392.19547	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	391.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.7
56.96550	0.8
57.07069	0.9
58.06601	1.6
67.05495	1.0
69.03407	2.1
70.79835	1.8
70.80202	0.8
71.08616	1.0
79.05462	0.8
81.03397	0.8
81.07026	1.2
85.02915	3.3
88.07143	0.6
91.05477	1.5
97.02882	1.9
105.03395	0.6
107.08593	1.2
119.04891	1.0
123.04384	1.4
127.03909	1.3
135.08060	0.7
139.03931	0.9
144.46906	0.6
147.04424	1.9
149.02336	8.3
167.03366	1.2
184.03621	0.7
185.04243	1.0
239.02267	0.7
269.09964	37.6
270.10532	0.9
345.04538	1.0
391.13623	100.0
392.14154	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	391.1571
Annotation	Chidamide
Peak:m/z	Relative Intensity
56.96548	0.6
57.07064	0.6
58.06585	0.4
61.02911	0.4
69.03416	1.4
70.06587	1.0
70.88802	0.9
70.89149	0.5
71.08611	1.1
72.29408	0.4
79.05502	0.5
81.03419	0.8
81.07038	0.7
84.36042	0.4
85.02907	2.6
86.09677	0.7
86.85529	0.4
89.06035	0.4
91.05471	1.8
95.04961	0.6
96.04432	0.4
97.02892	1.2
107.04927	1.6
116.98601	0.7
119.01911	1.1
119.04905	0.7
121.02885	0.5
121.06522	1.5
122.03653	0.7
123.04418	0.6
125.05914	0.5
127.03915	0.7
130.73326	0.4
131.01889	0.6
131.04910	1.2
134.03569	0.6
134.99632	0.6
135.04471	0.6
137.05969	12.8
139.80656	0.4
143.03383	0.5
145.03499	1.0
147.04384	3.0
148.04752	0.6
149.02341	7.5
149.05952	4.3
151.03891	1.1
151.07545	0.8
153.01808	5.6
153.05623	0.6
153.06923	0.9
155.01875	0.6
161.05919	2.3
163.03854	0.7
165.05472	0.5
167.03336	0.5
167.07092	0.6
173.02928	1.2
179.07022	1.1
185.02855	0.9
187.10725	0.6
191.06989	0.7
193.04994	2.1
207.06416	0.5
207.10120	0.4
219.01704	0.6
237.02913	0.9
237.05150	0.6
241.08614	1.1
253.08583	0.8
269.07977	0.5
273.11218	3.0
277.11224	0.9
284.10648	0.5
285.11090	1.0
288.21619	0.9
295.12494	0.9
299.09131	0.8
301.02298	0.4
311.09430	0.7
329.10147	2.0
343.11792	0.8
361.13174	1.4
373.13165	0.6
391.15652	100.0
392.16223	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	391.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
61.47028	0.7
67.05496	1.1
69.03385	0.8
71.08620	0.7
71.59731	1.7
71.60091	0.8
79.05503	0.7
81.07053	1.6
85.02888	1.6
91.05457	1.5
93.07050	1.5
99.29091	0.7
105.07021	1.3
121.14356	0.8
126.90058	0.8
137.05972	1.8
149.02316	6.3
258.06674	0.8
275.26172	0.9
278.87997	0.8
301.07019	1.9
301.10413	26.8
301.13635	1.6
302.10669	1.3
311.09061	4.1
313.11728	2.0
315.08386	6.2
329.09927	11.7
331.12863	0.8
345.09296	1.2
373.09003	10.9
391.09964	100.0
392.10245	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	391.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53784	0.6
55.05509	1.1
58.57563	0.6
59.77999	0.6
65.03950	1.0
70.39398	1.7
70.39791	1.6
71.08627	0.9
79.05470	1.5
81.07021	0.8
85.02898	0.8
91.05469	2.9
95.04935	1.1
97.06525	0.8
98.20847	1.0
103.05471	2.5
105.07047	2.9
105.46724	0.6
107.04962	2.5
109.06535	1.0
120.08086	0.8
121.06482	1.5
125.05991	3.0
129.07011	0.9
130.04124	1.2
131.04944	3.2
133.02843	1.9
133.06511	0.9
133.10152	2.0
135.04378	0.7
137.05983	10.0
146.07292	1.0
147.04359	4.1
149.02350	7.0
149.06038	1.4
150.06786	1.1
151.07515	1.2
151.11247	1.3
153.05475	4.5
161.05968	13.2
161.09619	2.8
162.06798	4.9
163.03938	1.5
163.07538	1.9
165.05510	2.1
167.07065	2.8
175.07486	1.0
177.05507	3.7
181.08551	0.9
183.06529	1.1
189.09106	7.0
193.04993	1.6
193.08585	0.9
207.10182	6.7
211.05887	1.2
211.09610	0.9
211.13329	3.0
273.07590	0.7
301.10492	8.8
307.10309	0.9
313.10745	0.8
315.08319	2.1
317.09784	0.9
317.13394	0.8
329.10019	3.1
333.08221	0.7
341.10248	4.2
365.10254	0.7
373.08954	1.1
391.09998	100.0
392.10281	3.3
399.98950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
56.96563	100.0
57.03435	7.3
57.07079	1.5
58.06596	5.0
61.02938	6.4
69.03432	10.5
69.97862	3.5
69.98274	4.4
70.43170	1.6
70.98113	12.1
71.04990	16.1
71.95267	6.3
72.08152	5.5
72.96044	2.8
73.02914	5.8
74.97613	5.0
81.03401	2.3
83.04967	3.4
84.08150	2.9
84.96023	6.9
85.02898	28.9
86.06065	2.1
87.04466	3.3
88.27085	1.3
88.99162	11.7
96.04468	1.5
97.02330	2.4
97.02888	13.8
98.96918	3.3
98.97575	63.0
99.04442	2.5
100.99139	7.0
101.00903	1.4
107.00183	3.9
109.02871	2.0
110.97567	5.5
112.99161	4.2
115.02400	1.5
115.03959	2.4
116.98618	50.4
118.02836	2.1
119.00193	4.9
119.01913	12.4
124.07561	1.9
124.95464	8.7
125.03567	1.9
127.03903	4.4
128.02377	1.6
128.98628	12.0
129.05476	3.6
131.00175	7.8
131.01868	2.5
133.01668	2.8
133.03445	3.8
134.99651	26.0
136.06195	4.7
137.02913	1.9
137.08052	1.4
140.02335	2.1
140.98567	4.2
141.00020	6.3
142.96500	19.1
143.00171	3.4
143.01860	1.6
144.98051	3.2
145.01698	2.9
145.03479	3.2
145.04953	3.6
146.99641	18.6
147.03215	1.6
148.06003	1.4
149.01210	5.0
149.02423	6.2
150.05455	1.5
153.00717	2.6
153.01819	4.5
153.05800	2.3
154.02127	4.7
155.02898	1.5
156.05476	2.7
156.98042	2.7
158.99655	16.2
159.05013	2.1
160.03871	1.8
160.97577	19.1
161.01263	5.7
161.02945	4.1
162.03535	1.8
162.06456	1.6
162.99138	7.5
163.02756	4.1
163.04439	4.0
165.00729	17.1
167.03749	1.4
169.04399	4.5
170.95969	3.1
170.99669	3.4
172.97539	10.6
173.01274	5.0
173.02968	4.9
174.99144	14.9
175.02789	2.2
177.00722	13.5
177.02216	1.9
177.04335	1.9
178.04927	15.6
178.98618	4.6
182.03381	2.2
183.01743	3.6
184.97604	3.9
185.02953	2.0
186.99202	3.4
188.97072	29.8
189.00708	16.2
189.02432	4.0
189.55710	1.4
190.98642	47.2
191.02245	5.5
191.03963	6.0
193.00215	31.6
193.03847	5.4
195.01677	2.3
197.04491	1.6
201.00713	5.1
202.98630	16.4
205.00183	18.4
206.98125	32.4
207.01765	12.5
208.99742	15.4
209.03163	1.7
209.60155	1.5
211.01225	4.7
211.04857	1.8
212.97197	1.8
214.98651	8.2
215.00313	2.5
217.00226	11.7
219.01762	11.7
220.99718	16.5
221.05153	4.5
223.01295	7.6
224.99207	1.8
230.98126	9.3
231.01544	2.4
232.99687	26.4
233.04808	1.9
235.01239	13.3
237.02776	13.6
237.08083	4.9
239.00754	3.4
242.07301	22.3
242.57533	3.2
244.99644	7.1
245.05032	4.7
247.01096	3.3
248.99225	5.3
250.07080	3.2
251.00745	5.2
251.07851	12.9
251.57921	3.9
254.00047	1.5
255.03769	1.7
258.97784	2.0
260.99118	5.1
263.00720	21.6
263.06042	4.4
267.00034	1.9
272.06409	10.7
272.56876	3.2
277.02139	3.2
279.00232	2.7
281.01794	47.7
281.04987	2.4
284.95657	1.9
288.98657	10.9
291.00116	2.5
293.01813	3.7
298.97369	1.6
299.02859	10.4
300.98654	2.5
305.01804	1.8
306.99597	4.2
308.10938	1.4
310.07114	1.6
316.98132	6.2
317.03589	2.0
318.10706	14.6
318.60785	3.1
321.01404	2.2
330.99673	6.4
337.08084	4.1
349.00717	6.8
355.09076	3.3
358.99146	3.2
367.02005	5.7
377.00394	3.7
391.07608	2.2
391.13489	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2165
Annotation	Foliasalacioside A1
Peak:m/z	Relative Intensity
52.70266	12.5
53.35221	10.9
67.37184	12.3
70.57339	48.4
73.71136	13.6
81.07059	33.7
85.02930	20.8
93.07061	29.0
95.08605	23.2
105.07079	24.4
107.08607	54.3
119.08565	15.8
121.06548	17.6
121.10158	39.7
123.08070	26.8
131.08531	13.1
133.10135	30.4
139.72087	13.0
149.09628	86.0
151.11183	28.9
163.14795	19.1
173.13269	31.2
191.14288	100.0
196.03181	13.8
207.64542	13.4
209.15404	89.9
231.13570	13.8
252.11403	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	389.2167
Annotation	Debiloside B
Peak:m/z	Relative Intensity
52.61097	11.8
55.01854	15.2
55.05510	12.6
60.04511	11.8
67.05494	16.5
69.03433	14.1
69.07066	19.0
69.84045	31.5
69.84460	50.4
70.06597	14.4
71.04990	36.5
73.56083	11.9
79.05481	23.4
81.03421	17.2
81.07039	41.1
82.68095	14.0
83.05004	18.0
85.02901	30.0
85.06540	29.0
86.09714	23.8
91.05498	32.3
91.10368	12.5
93.07034	33.3
95.04962	27.1
95.08587	51.5
97.02849	17.6
99.04458	100.0
99.08102	23.3
104.99001	12.5
105.07025	25.5
107.04965	17.0
107.08585	71.9
109.06519	14.9
109.10146	16.3
111.08084	16.2
113.09628	15.4
119.08546	26.5
120.71729	11.1
121.06481	23.7
121.10141	47.5
122.29056	12.2
123.04373	17.0
123.08065	32.0
125.09618	17.4
131.08611	17.1
133.10101	70.0
135.08156	18.5
137.05983	24.0
145.06488	15.4
147.04309	15.7
149.09610	54.4
149.13220	19.6
163.14728	13.8
169.12190	20.1
173.13257	32.7
175.07536	45.2
183.13824	22.4
191.14281	66.5
207.06415	14.3
209.15373	85.7
215.14247	35.7
219.10222	27.6
227.16354	57.8
233.15408	26.1
342.20596	12.8
368.07730	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	389.2168
Annotation	Macarangioside F
Peak:m/z	Relative Intensity
69.07027	4.5
71.51687	8.5
71.95332	3.7
80.14889	4.2
81.07060	13.3
85.06535	4.7
91.05486	5.6
93.07035	9.1
95.08616	9.2
99.04454	4.4
99.08096	6.2
105.07023	5.7
107.08575	11.2
109.06484	5.5
109.10129	6.5
119.08557	7.8
121.06457	4.9
121.10167	9.7
123.68841	4.1
131.08559	6.5
133.10146	9.9
135.08150	5.1
137.02315	6.1
147.11705	8.1
149.09613	14.2
149.13242	5.0
151.11209	6.6
153.01736	3.7
163.14745	7.2
173.13339	5.3
191.14310	13.4
194.82211	3.9
209.15421	16.0
224.20082	11.6
226.18015	13.7
268.19016	4.6
286.20123	100.0
389.21704	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	389.1804
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
55.05508	6.8
56.96557	12.9
57.07053	6.7
59.06131	23.2
64.59373	4.4
67.05505	22.5
69.03413	7.0
69.07062	6.1
70.06579	4.6
71.04982	21.0
71.59337	5.5
79.05484	23.2
80.76884	4.0
81.03438	5.6
81.07055	9.6
81.32829	4.5
81.83288	4.3
81.87573	4.2
83.04967	9.5
85.02895	13.2
85.04034	6.1
85.06537	100.0
86.09686	6.8
89.06030	9.2
91.05469	28.3
93.07035	18.0
95.04959	14.0
97.06506	5.8
98.97564	23.3
99.08096	8.1
103.05473	8.2
105.07031	22.4
107.04959	11.6
107.08586	25.2
109.06505	9.9
111.04434	13.9
116.98616	25.8
117.07048	6.1
119.08587	15.1
120.08156	5.3
121.06490	18.0
121.10122	17.4
123.04422	26.7
123.08125	5.7
127.03891	6.2
129.06985	9.1
131.04927	15.7
131.08559	71.6
133.06429	6.9
133.08551	5.6
134.99707	26.5
135.04402	4.9
137.05959	12.5
137.09610	6.9
139.03896	30.9
139.67322	4.0
140.04146	4.5
140.67073	4.6
145.10124	29.0
147.04410	10.1
147.08051	4.5
149.06026	5.3
149.09621	58.8
151.07523	6.1
154.04996	6.4
162.05524	10.1
163.03963	9.9
163.07555	13.5
163.11174	22.1
164.07033	5.6
165.09065	6.1
167.07060	9.4
167.10674	26.7
168.91574	4.2
173.09636	6.2
178.04991	14.2
180.06566	17.4
182.57985	5.7
191.10660	57.6
192.06534	7.3
193.35323	4.4
197.01248	6.6
209.11720	83.2
227.12796	78.4
237.08704	5.8
244.07748	7.9
255.01785	26.2
273.02725	7.6
275.96198	5.2
279.20505	5.7
371.12418	12.3
389.13156	24.6
407.06372	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	389.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.8
55.01865	6.5
55.05514	4.2
56.96566	13.2
57.03434	4.8
57.07086	3.7
57.60466	2.9
59.06127	32.2
60.04527	4.1
65.03936	5.0
65.17234	2.8
65.64691	3.4
67.05508	22.1
68.56136	3.0
68.99783	3.9
69.03426	7.9
69.07070	6.7
70.06591	7.3
71.03837	2.9
71.04994	18.8
71.55565	3.5
72.08150	6.3
73.02940	3.5
77.82393	3.0
79.05485	29.0
79.71649	2.9
81.03394	6.9
81.07052	12.0
83.04980	14.7
84.04506	6.1
85.02912	12.9
85.04023	3.4
85.06542	100.0
86.09696	8.4
91.05476	33.2
93.07049	23.0
95.04968	11.5
97.06527	8.1
98.97585	31.2
99.08087	4.7
101.07169	5.5
103.05456	16.4
105.07021	26.8
107.04954	16.7
107.08606	26.4
109.06539	5.0
111.04456	13.8
116.98606	43.3
117.07008	6.3
119.04951	4.4
119.08553	19.8
120.08078	3.5
121.06530	15.4
121.10152	12.8
123.04420	40.2
123.08115	3.5
125.05974	7.4
127.03915	30.3
128.06216	3.9
129.07034	9.1
131.04941	16.2
131.08560	61.3
133.06522	6.4
133.10164	4.0
134.99658	30.0
135.04446	6.6
135.08046	4.2
135.11681	5.8
136.03937	4.9
137.02354	4.4
137.05986	9.1
137.09612	9.5
138.05464	7.4
139.03897	44.6
143.11717	3.9
145.10107	30.5
147.04402	8.8
147.08014	6.5
149.06082	3.7
149.09608	56.3
150.05478	3.0
151.03873	12.7
151.07495	3.5
152.07059	5.9
153.00667	7.0
153.01808	5.1
154.04985	3.9
155.06964	4.0
158.99699	4.2
159.04440	3.8
161.06024	10.3
162.05447	5.4
163.03905	15.5
163.07507	12.2
163.11176	24.1
164.07008	6.0
165.05453	7.8
165.09149	14.0
167.07074	8.9
167.10675	28.7
173.09630	10.7
175.07480	4.3
175.35710	3.4
177.00746	6.3
177.05428	6.4
178.05005	30.2
180.06482	23.4
184.00568	4.4
191.10664	57.8
192.06413	5.0
193.05040	4.5
193.08617	3.9
197.01236	3.4
209.11726	83.0
211.11635	5.2
215.02197	5.0
219.10231	4.7
227.02251	8.2
227.12776	86.5
237.31705	3.5
243.06985	3.9
243.57188	6.5
244.07732	5.2
255.01720	37.9
257.33298	3.5
273.02768	9.2
273.07260	3.3
284.08881	4.0
286.20166	7.2
293.08752	3.6
297.08658	3.8
328.08371	4.0
330.09915	5.0
347.04306	4.4
365.05414	4.0
371.12665	16.3
389.05310	4.2
389.13388	33.3
389.17603	8.3
407.06384	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	389.1592
Annotation	Renealtin B
Peak:m/z	Relative Intensity
51.02369	1.1
53.03941	1.2
55.01865	14.4
55.05505	2.6
56.96558	0.8
57.03426	1.1
61.43747	0.9
61.60680	0.8
65.03938	4.2
65.33915	0.9
67.05503	3.9
69.03431	1.5
69.07063	1.6
70.19750	4.4
79.05487	3.3
81.03401	1.7
81.07037	2.4
85.02906	2.0
91.05489	3.8
95.04952	6.0
95.08600	2.5
97.06528	4.0
98.21539	1.0
103.05450	4.5
105.07022	1.8
107.04973	2.7
108.02060	0.9
109.02886	3.4
110.03678	1.4
111.04433	1.5
115.05454	1.2
117.03413	1.0
117.07034	1.2
119.04951	6.8
121.06509	2.2
123.04423	100.0
124.04764	1.0
125.06051	1.5
127.03920	2.9
129.07016	2.1
131.04890	6.6
133.06474	1.5
135.04407	2.6
137.02344	1.8
137.05939	11.3
139.03894	27.2
141.98837	0.9
142.02611	1.1
143.04930	3.1
145.06485	2.7
147.04404	33.0
149.05965	6.6
151.03893	40.7
151.07509	1.6
152.04265	1.2
153.05458	2.1
157.06499	2.9
161.05981	10.8
163.03905	7.8
163.07581	3.6
165.05464	22.6
165.09143	1.1
167.07027	8.8
169.04948	4.4
171.06554	2.5
173.05981	13.5
174.06619	1.4
175.07544	4.6
176.04744	2.9
177.05457	30.6
179.07036	3.6
181.04948	32.1
181.08626	3.5
183.06508	1.0
187.07574	1.6
189.05432	3.6
189.09100	4.5
191.07016	7.4
193.04950	1.9
193.08603	50.2
194.09004	1.4
205.08575	4.5
207.06506	13.0
207.10025	1.0
209.08069	18.4
217.08606	2.4
219.10149	20.5
223.09566	1.7
231.10144	1.4
233.04356	1.0
235.09721	1.3
236.87553	1.1
237.11137	7.0
249.07521	1.7
249.11258	3.1
261.08853	1.0
277.08688	2.4
278.09338	1.2
285.07596	3.7
291.08566	6.0
303.08655	9.0
309.11050	1.9
311.09189	3.2
327.12314	4.7
329.10214	16.2
339.12189	2.9
341.14130	1.6
345.13293	28.3
353.13718	5.4
359.15091	1.5
371.14844	16.0
389.15942	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	389.1593
Annotation	Renealtin B
Peak:m/z	Relative Intensity
50.01859	1.2
51.34636	1.1
55.01862	7.7
55.05511	3.0
57.03426	1.8
65.03926	2.3
67.05487	3.5
69.03465	1.5
69.07056	1.8
69.62190	3.4
69.62605	6.4
79.05479	2.8
81.03423	1.6
81.07057	1.7
91.05473	4.8
93.06995	2.3
95.04955	4.7
96.47950	1.2
97.02849	1.6
97.06534	3.7
98.20750	2.7
100.11250	3.2
101.76609	1.4
103.05478	2.8
107.04939	3.0
107.20225	1.3
109.02862	3.7
109.06508	1.5
111.04453	1.3
115.05489	1.4
119.04945	9.1
119.55822	1.5
122.03613	1.2
123.04423	100.0
123.08012	1.8
124.04756	1.4
127.03932	3.3
127.43102	1.4
129.06985	1.8
131.04932	3.2
131.08524	1.8
133.06433	1.3
135.04433	3.2
137.02351	2.6
137.05983	7.7
139.03899	34.2
143.04897	4.0
145.06461	2.4
147.03223	1.7
147.04405	36.9
149.05984	3.5
151.03894	43.3
151.07523	2.0
153.05397	2.2
161.05959	12.2
163.03909	8.1
163.07523	3.4
165.05470	22.5
165.09027	2.0
167.06989	2.5
169.04933	4.0
173.05981	16.9
175.07571	4.3
176.04620	3.6
177.05484	21.2
179.07037	5.4
181.04973	12.9
181.08565	4.0
189.05481	4.7
189.09062	2.5
191.07030	5.6
193.04913	1.8
193.08606	56.6
205.08542	3.0
207.06506	13.1
207.10307	1.7
209.08095	5.5
217.04572	1.5
219.10168	19.3
223.09726	2.5
231.10112	2.1
237.11157	8.0
249.11205	1.8
265.34793	1.3
277.08533	1.5
285.07593	3.2
291.08694	5.8
303.08716	7.1
311.09067	2.9
327.12131	4.3
329.10138	16.5
329.13416	2.0
339.12274	1.5
341.13885	1.6
345.09369	2.6
345.13336	27.3
353.13632	6.7
371.11060	1.5
371.14948	14.7
389.16089	17.8
403.09052	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1593
Annotation	Simulanol
Peak:m/z	Relative Intensity
53.03936	2.7
55.01619	2.5
55.01868	32.3
65.03938	12.5
67.05487	6.8
69.03419	4.1
69.99443	1.6
70.01144	6.1
79.05479	6.6
81.07053	3.7
82.04179	4.0
83.60337	2.1
85.02897	6.7
91.05459	7.7
93.84920	1.4
94.04189	2.4
95.04960	8.9
95.08562	1.6
96.00688	1.7
97.02915	1.8
97.06506	4.5
100.11215	2.1
103.05454	19.8
105.04440	1.7
105.07005	2.9
107.04941	12.7
109.06496	2.5
110.03637	5.2
111.04404	4.6
114.41839	1.5
115.05415	4.9
117.06979	2.6
117.22960	1.9
119.04926	3.3
120.71320	1.4
121.06510	5.5
122.03616	5.7
123.04424	11.5
123.08040	2.1
125.05972	5.6
128.06212	6.5
129.06996	13.7
131.04924	30.5
131.08522	6.1
133.10120	2.2
134.03708	1.9
135.04362	2.1
135.08041	2.0
137.05969	55.5
138.06303	2.0
139.03896	2.5
141.06970	4.5
142.02612	3.0
144.05661	2.7
145.06471	7.3
147.04390	5.5
148.05103	1.7
149.05960	11.7
151.03893	3.0
151.07500	6.8
153.05537	2.6
155.07027	1.9
157.06508	13.1
158.07262	2.6
159.08009	5.0
160.05177	5.3
161.05962	3.1
163.07555	9.8
163.20708	1.7
165.05537	2.9
167.07034	27.7
169.06425	2.9
171.06512	9.0
173.05980	2.2
174.06784	9.7
175.07538	35.2
176.04713	1.7
177.05481	33.4
177.07007	1.4
177.08980	2.7
181.04947	100.0
183.06523	12.8
185.05989	2.2
185.08153	1.8
186.06804	3.2
187.07535	6.4
188.08279	3.0
189.07228	3.1
189.09087	29.9
190.09509	1.6
191.06987	2.2
195.06424	1.8
195.10152	4.3
201.09145	9.9
205.06526	2.8
205.08392	2.5
206.07170	4.8
207.06528	5.0
207.08206	2.1
209.08069	58.4
209.15324	1.8
217.06500	5.4
217.08569	6.6
218.07222	6.3
219.08066	7.0
219.10112	50.7
221.07954	3.6
231.08092	3.2
233.09570	4.4
234.06717	7.5
235.07553	3.7
235.09647	2.9
237.02809	1.6
246.06749	3.0
247.07465	6.1
248.08347	2.2
249.09056	10.1
251.10548	3.1
254.77368	1.7
261.09076	13.7
262.06085	2.2
262.09564	2.1
263.07001	4.0
264.08087	2.4
265.08627	5.3
266.12115	1.6
276.07626	2.4
277.08563	31.3
278.09329	7.1
279.10181	5.4
281.11667	3.6
289.08542	3.0
291.10059	4.6
293.08142	2.9
293.11734	6.2
294.08810	2.2
295.09470	1.7
299.09637	1.7
306.08621	2.7
307.09515	3.7
308.10541	2.3
309.11099	11.7
310.11710	2.4
311.12726	3.4
321.11179	6.9
339.12238	37.6
340.13437	2.5
341.13766	4.7
353.13779	5.5
359.14581	4.2
371.14969	30.0
389.16037	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	389.1591
Annotation	Simulanol
Peak:m/z	Relative Intensity
52.69520	2.6
52.93713	2.0
55.01871	35.2
55.05507	4.5
61.02913	2.4
65.03919	9.4
67.05491	7.5
69.03415	3.5
69.78335	9.9
71.04984	2.2
79.05482	8.4
81.07056	5.6
82.04183	4.2
83.04906	2.2
85.02920	11.5
91.05461	9.1
93.07020	3.5
95.04955	10.6
97.02861	2.7
97.06504	3.9
103.05460	20.1
105.07034	2.7
107.04950	13.1
109.06532	3.8
110.03608	6.7
111.04406	5.3
117.07008	2.3
121.06471	6.0
122.03621	6.7
123.04392	12.6
125.05997	5.5
128.06201	5.9
129.06984	18.3
131.04916	24.1
131.08560	7.3
135.08044	3.2
137.05965	54.2
138.03085	3.9
139.03859	4.8
140.04651	2.6
141.06958	6.5
142.02644	2.9
144.05672	3.1
145.06493	4.6
147.04399	3.7
149.05992	10.4
151.03891	14.8
151.07503	3.9
153.05479	6.6
157.06514	14.1
158.07260	4.8
159.04410	2.9
159.08038	5.6
160.05252	4.6
161.05969	5.3
163.07501	10.9
167.07027	36.6
167.08400	4.3
169.06425	3.5
171.06546	11.1
174.06754	14.1
175.07542	32.9
177.05478	35.8
181.04948	100.0
183.06503	17.2
186.06723	4.5
187.07544	8.4
189.07013	6.9
189.09087	37.8
190.07703	3.9
191.06949	4.1
191.08510	2.9
199.08705	3.6
201.09053	10.2
203.08568	3.2
205.08487	3.3
206.07327	6.5
207.06560	3.2
209.08075	54.2
213.10110	2.3
217.06375	8.3
217.08490	5.6
218.07231	8.2
219.08052	10.4
219.10107	64.5
220.10625	3.9
221.08003	4.2
231.08069	4.3
233.09616	4.8
234.06685	9.3
235.07489	4.9
235.09630	3.7
237.08963	2.6
241.09726	4.4
246.06906	7.1
247.07545	7.0
248.08189	4.7
249.09157	16.4
251.10655	2.9
255.11227	5.2
261.09094	16.3
262.06226	4.4
263.07083	7.7
265.08554	4.2
276.07849	3.6
277.08548	39.3
278.09238	8.2
279.10025	8.8
283.10837	4.9
289.08517	4.0
290.09402	3.8
291.10016	4.3
293.08179	4.6
293.11633	8.2
294.08780	3.1
306.08875	4.1
307.09665	3.9
308.10507	2.9
309.11237	18.0
311.12823	6.5
321.11185	9.9
322.12036	2.8
325.10831	3.6
329.07492	3.3
329.11176	16.5
339.12302	49.1
340.12543	5.0
341.13550	3.6
353.13675	5.8
357.10651	8.7
359.14664	6.5
371.14917	46.8
372.15176	3.4
389.16281	41.0
389.21414	7.9
390.16339	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	387.2012
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
51.59286	0.8
53.03938	3.3
54.39319	0.8
55.01867	1.5
55.05516	2.5
56.96557	1.4
57.03429	3.6
57.07074	1.2
60.37215	0.9
61.02921	2.6
62.74865	0.8
67.05502	4.2
69.03072	1.4
69.03431	25.7
69.07066	2.3
71.01386	0.9
71.04988	2.9
71.34842	1.6
72.08141	2.0
73.02918	2.7
79.05502	3.9
81.03423	8.5
81.07063	15.7
83.04964	1.5
83.08610	1.2
85.02903	100.0
85.06528	1.3
86.09707	3.3
87.04459	1.3
91.05472	5.0
93.07050	4.8
95.04971	3.5
95.08603	11.7
97.02885	7.4
97.06535	2.7
99.04443	4.6
101.02380	1.6
105.07020	9.2
107.04970	2.1
107.08572	3.9
108.97462	0.8
109.02883	4.1
109.06530	3.2
109.10145	13.4
111.04460	2.0
115.05431	1.1
116.98674	1.0
117.06994	1.1
119.05009	1.0
119.08577	8.8
121.06531	2.1
121.10152	6.2
123.04393	1.2
123.08086	4.9
123.11708	58.8
125.05993	50.0
127.03917	8.9
129.01407	0.8
131.04886	1.8
131.08603	3.0
133.06505	2.5
133.10120	2.9
135.08003	1.1
135.11705	7.5
137.05998	7.8
137.09612	3.0
139.03937	1.8
139.07530	9.0
141.05507	1.1
145.04948	2.4
145.06543	1.1
145.10132	3.1
147.04388	1.3
147.08047	2.2
147.11684	11.3
149.06056	1.0
149.09634	10.3
151.03883	1.6
151.07550	7.0
153.01793	4.2
156.09358	2.8
161.06038	1.4
161.09676	2.0
161.13245	9.7
163.03940	2.5
163.07570	1.2
163.11229	2.5
165.05408	1.4
165.09070	0.9
165.12781	3.2
167.07082	6.1
169.05147	0.8
171.11678	1.7
174.10471	1.3
175.07693	1.0
177.05321	1.2
179.14299	2.0
181.04991	1.8
181.12303	1.0
189.09033	1.2
189.12761	14.5
191.07132	0.9
207.13805	51.2
208.10869	0.9
225.11259	3.2
225.14848	70.0
251.09299	1.0
255.24069	0.8
257.26746	0.9
266.08078	1.2
266.95825	1.0
279.06561	1.0
284.77017	0.9
292.11066	0.9
294.08823	1.1
333.16986	5.9
339.12204	1.3
339.97842	0.9
343.08386	1.3
351.18063	11.8
369.13644	1.3
369.19122	5.1
387.15479	3.9
387.20172	50.0
388.20715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2012
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
52.70599	2.5
53.03945	4.0
55.05520	3.2
56.96564	4.2
57.03438	4.0
59.55539	2.6
67.05496	11.5
69.03432	24.7
69.07077	4.4
69.07473	2.6
70.06593	44.7
71.04993	3.0
71.06927	6.2
71.13125	6.2
72.08149	7.5
73.02892	2.7
79.05479	6.0
80.73363	2.5
81.03423	10.4
81.07059	19.3
85.02905	100.0
86.09708	10.1
91.05486	5.2
93.07050	6.6
95.04955	5.3
95.08614	22.8
97.02900	9.7
99.04466	7.3
105.07052	14.4
105.98444	3.1
107.08585	10.1
109.02884	7.0
109.10152	30.8
111.04445	3.7
113.06041	3.2
119.08587	17.0
121.10139	13.8
123.04455	7.9
123.08073	8.7
123.10812	4.3
123.11709	88.2
123.12572	5.6
125.05975	20.6
127.03899	16.8
128.64706	3.1
135.11679	2.9
137.05977	3.4
139.07478	3.8
141.06943	2.8
145.04916	5.2
145.10136	8.1
147.04424	4.7
147.08057	4.2
147.11729	18.7
149.09647	12.6
151.07542	14.2
161.13228	6.0
163.11093	3.5
165.12733	4.7
167.07065	8.2
176.07994	3.7
177.05493	12.5
178.05763	14.8
181.12292	2.9
185.16512	9.2
188.07863	3.2
189.12744	21.9
195.08058	2.8
198.53577	2.4
201.09158	3.7
202.09442	7.3
207.13803	81.0
213.08893	3.1
214.09366	2.9
225.14848	41.3
242.08905	4.5
244.06837	3.5
246.92477	3.3
262.08090	3.6
270.08493	11.2
277.36356	3.0
284.18668	4.8
288.09140	3.3
306.10767	4.2
330.10535	4.8
333.17047	14.3
351.18057	32.1
352.11234	5.4
352.18597	3.1
369.19141	8.9
387.15958	29.4
387.20584	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	387.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59286	0.8
53.03938	3.3
54.39319	0.8
55.01867	1.5
55.05516	2.5
56.96557	1.4
57.03429	3.6
57.07074	1.2
60.37215	0.9
61.02921	2.6
62.74865	0.8
67.05502	4.2
69.03072	1.4
69.03431	25.7
69.07066	2.3
71.01386	0.9
71.04988	2.9
71.34842	1.6
72.08141	2.0
73.02918	2.7
79.05502	3.9
81.03423	8.5
81.07063	15.7
83.04964	1.5
83.08610	1.2
85.02903	100.0
85.06528	1.3
86.09707	3.3
87.04459	1.3
91.05472	5.0
93.07050	4.8
95.04971	3.5
95.08603	11.7
97.02885	7.4
97.06535	2.7
99.04443	4.6
101.02380	1.6
105.07020	9.2
107.04970	2.1
107.08572	3.9
108.97462	0.8
109.02883	4.1
109.06530	3.2
109.10145	13.4
111.04460	2.0
115.05431	1.1
116.98674	1.0
117.06994	1.1
119.05009	1.0
119.08577	8.8
121.06531	2.1
121.10152	6.2
123.04393	1.2
123.08086	4.9
123.11708	58.8
125.05993	50.0
127.03917	8.9
129.01407	0.8
131.04886	1.8
131.08603	3.0
133.06505	2.5
133.10120	2.9
135.08003	1.1
135.11705	7.5
137.05998	7.8
137.09612	3.0
139.03937	1.8
139.07530	9.0
141.05507	1.1
145.04948	2.4
145.06543	1.1
145.10132	3.1
147.04388	1.3
147.08047	2.2
147.11684	11.3
149.06056	1.0
149.09634	10.3
151.03883	1.6
151.07550	7.0
153.01793	4.2
156.09358	2.8
161.06038	1.4
161.09676	2.0
161.13245	9.7
163.03940	2.5
163.07570	1.2
163.11229	2.5
165.05408	1.4
165.09070	0.9
165.12781	3.2
167.07082	6.1
169.05147	0.8
171.11678	1.7
174.10471	1.3
175.07693	1.0
177.05321	1.2
179.14299	2.0
181.04991	1.8
181.12303	1.0
189.09033	1.2
189.12761	14.5
191.07132	0.9
207.13805	51.2
208.10869	0.9
225.11259	3.2
225.14848	70.0
251.09299	1.0
255.24069	0.8
257.26746	0.9
266.08078	1.2
266.95825	1.0
279.06561	1.0
284.77017	0.9
292.11066	0.9
294.08823	1.1
333.16986	5.9
339.12204	1.3
339.97842	0.9
343.08386	1.3
351.18063	11.8
369.13644	1.3
369.19122	5.1
387.15479	3.9
387.20172	50.0
388.20715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.45822	5.0
52.52526	5.1
55.15494	5.2
57.03434	8.4
58.29440	6.3
61.02922	9.2
67.05510	7.7
69.03423	10.8
69.07053	6.1
71.55643	9.4
74.61061	5.7
78.42116	6.0
79.05478	14.8
81.07057	11.5
85.02913	26.2
90.15005	6.0
91.05457	5.7
93.07039	14.9
95.04949	8.2
95.08604	7.2
97.02876	16.3
97.06522	16.0
101.51845	7.3
105.07046	20.8
107.08588	20.4
109.06493	8.4
119.08572	12.1
121.10129	10.3
123.04493	6.7
123.08062	15.0
124.10374	6.1
127.03928	8.3
133.10175	7.6
135.07968	6.0
135.11681	7.2
137.05960	100.0
139.03905	10.4
145.04929	8.8
145.10107	7.3
147.11688	8.5
149.09560	6.7
151.03868	12.4
151.07541	29.8
151.11174	24.6
161.13248	8.9
163.03920	16.0
163.11142	35.1
167.07069	15.5
173.06070	5.6
181.04985	20.1
181.12300	13.7
181.39214	6.2
191.07037	8.6
207.13782	90.0
225.14795	35.1
236.09921	11.4
260.10071	12.7
324.11917	6.0
357.12970	9.3
387.14435	26.5
387.19598	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	387.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.0
55.05513	10.3
56.96552	4.1
58.06300	2.7
58.06593	42.9
59.06922	8.4
59.41565	1.9
61.02954	1.7
66.07118	1.6
67.05489	5.0
68.99775	2.4
69.03419	5.8
69.07063	37.3
70.06579	6.2
71.07652	1.6
72.08162	2.5
75.91367	1.8
76.07636	11.4
77.07953	2.2
79.05487	7.7
80.18898	1.7
81.03404	7.4
81.07047	17.7
83.04977	55.0
83.08611	7.6
84.04494	8.8
85.02891	15.4
91.05473	8.4
92.05803	1.8
93.07037	6.4
94.06524	1.7
95.04957	8.7
95.08601	6.4
97.02888	5.5
97.06535	5.1
99.00796	3.9
105.07030	4.8
107.04947	3.6
107.08609	5.0
109.02897	2.3
109.06508	7.5
109.10154	6.1
111.11715	19.7
114.05490	3.3
116.01643	3.3
119.04946	7.8
119.08593	4.7
121.06516	3.0
121.10136	6.3
123.04411	4.8
123.08057	9.9
123.11703	4.1
125.02392	1.9
125.05981	6.7
127.03913	4.0
130.05000	2.5
133.06551	3.8
133.10114	4.9
135.08060	4.9
135.11705	2.7
137.02307	5.6
137.05984	7.4
137.09557	2.1
139.03903	3.0
139.07597	2.7
142.03238	2.2
142.04982	6.3
143.03363	3.5
147.04398	11.7
147.08080	2.8
147.11629	2.9
149.05981	2.4
149.09624	3.5
151.03972	3.2
151.07481	9.9
153.01819	6.8
153.12691	1.9
156.06541	4.5
156.57922	1.8
159.08073	2.4
161.06023	3.4
161.09543	2.4
163.03918	2.3
163.07588	2.8
163.11314	2.7
165.05472	2.0
165.09084	2.5
165.12749	6.5
167.07047	27.0
175.07616	3.2
175.11223	2.1
177.05467	7.9
179.03401	3.2
179.07065	3.1
181.08553	4.2
189.12677	2.8
193.08578	3.6
193.12305	3.8
195.06523	2.5
195.13808	17.2
198.64784	2.2
205.04996	2.2
207.02887	6.0
207.06473	1.9
207.13794	31.2
208.14085	2.5
210.11217	14.2
213.08891	5.7
214.09537	2.6
215.04881	3.0
221.11771	18.5
221.15393	5.6
225.14830	14.6
235.13310	5.9
239.12761	100.0
240.13197	3.1
244.99588	2.3
249.14842	4.4
251.05499	19.5
253.73486	1.8
261.11191	2.2
261.14920	5.2
263.12735	4.5
277.07364	2.5
277.14359	30.9
284.18756	1.8
289.14197	2.9
291.12332	7.2
303.12204	2.4
305.13742	10.3
307.15466	2.4
315.12274	2.4
323.14877	48.2
333.13419	14.1
351.14319	56.5
352.14902	2.2
369.15457	49.4
370.16046	2.7
387.16217	35.5
387.20505	3.0
388.15439	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	387.1435
Annotation	Magnolone
Peak:m/z	Relative Intensity
53.03940	0.5
53.48466	0.4
55.01872	0.8
55.05512	0.4
65.03929	1.0
66.04697	0.4
67.05495	0.9
69.07056	1.1
69.43974	3.3
79.05468	1.5
81.07045	0.4
85.02880	0.7
91.05459	1.0
94.04174	2.3
95.04950	1.1
97.06523	8.2
101.74892	0.4
103.05441	1.8
105.07008	0.5
107.04936	1.4
110.03652	0.7
111.04428	1.0
115.05435	1.8
117.07005	1.5
118.04128	0.7
119.04939	0.5
119.08607	0.4
122.03641	7.8
123.04428	9.4
125.05949	0.6
130.04092	0.5
131.04933	2.3
133.06493	0.6
134.03647	0.4
135.04361	0.4
137.05965	100.0
138.06331	0.7
139.03888	17.0
142.02579	0.5
142.81718	0.4
143.04900	3.1
145.06516	2.3
147.04367	0.5
147.08014	0.7
148.05199	1.1
151.03891	7.5
151.05077	0.4
153.05452	0.5
155.05984	0.5
161.05994	1.3
163.03888	1.3
163.07526	1.8
165.05475	0.7
167.07027	9.9
171.04373	0.4
171.06497	1.0
173.06010	2.8
175.07542	1.2
181.04945	17.6
189.05428	0.5
189.09109	0.5
191.07005	6.8
203.07013	1.7
205.08630	2.3
209.08012	0.4
217.08588	0.9
219.10135	5.5
233.08145	1.0
235.09566	2.3
241.38242	0.4
264.12314	0.4
291.08655	0.6
293.08011	0.4
305.08060	0.4
325.10513	0.5
346.72876	0.4
351.12433	0.5
357.13306	13.8
369.13324	0.9
387.14352	28.0
388.14658	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	Magnolone
Peak:m/z	Relative Intensity
52.21632	0.4
53.03932	0.7
55.01838	0.6
58.17855	0.4
65.03934	1.4
67.05495	0.8
69.03433	0.4
70.27149	1.2
79.05489	1.8
81.03401	0.6
81.07050	0.6
85.02885	0.7
85.30230	0.4
91.05484	1.2
93.03432	0.5
94.04187	3.0
95.04988	0.7
97.06532	6.4
101.98368	0.4
103.05465	2.7
106.04218	0.5
107.04961	1.2
108.02057	0.5
111.04407	1.0
115.05460	2.1
117.07018	2.0
118.04197	0.4
119.04914	0.4
122.03648	7.8
123.04441	3.0
125.06017	0.5
130.04079	0.6
131.04901	2.9
133.06485	0.6
135.04376	0.8
137.05974	100.0
138.06277	1.6
139.03897	12.2
141.05414	0.4
143.04916	3.5
144.05606	0.5
145.06467	2.6
147.04477	0.7
148.05186	1.6
149.05962	0.6
151.03896	7.2
151.05005	0.7
153.52969	0.5
161.05991	1.2
163.03891	1.5
163.07536	1.8
167.07045	9.7
171.06496	1.2
173.06001	3.1
175.07565	1.0
181.04961	18.7
191.07027	7.6
203.07068	1.7
205.08603	2.4
217.08562	0.6
219.10138	5.1
221.08116	0.5
233.08022	1.0
235.09612	2.1
266.29108	0.5
267.10226	0.5
270.93069	0.5
337.11066	0.5
351.12454	0.6
357.13324	13.2
358.13666	0.6
369.13275	1.0
387.14392	26.1
388.14725	0.8
392.63190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01843	0.3
56.96553	0.4
57.03427	0.3
58.06578	0.3
66.04686	0.2
69.03410	0.9
69.88193	0.2
70.06594	0.2
71.23119	0.3
71.23440	0.3
73.02905	0.2
78.04710	1.5
79.05490	1.2
81.03406	0.3
81.07021	0.5
83.04977	0.2
85.02899	2.2
91.05474	1.1
93.07036	0.7
94.02012	0.2
95.01307	1.8
95.04948	0.7
97.02866	1.0
98.97605	0.4
99.04428	0.3
103.05450	0.9
105.07002	1.0
106.04179	1.1
107.04935	1.0
109.02870	0.5
109.06550	0.3
116.03785	0.2
116.98588	0.2
119.04922	0.7
121.06496	1.2
122.03584	0.3
123.04422	4.2
124.05212	1.7
127.03912	0.3
129.01843	0.3
133.06488	0.8
134.03670	0.3
135.04425	0.3
137.05994	0.4
141.01807	0.4
145.04961	0.3
147.04413	1.2
149.05981	1.4
151.03864	0.6
151.07465	0.2
152.04652	1.4
153.01826	2.1
161.05960	1.0
161.13106	0.2
167.07024	100.0
168.07375	1.8
179.06982	0.4
181.08566	1.4
193.08580	3.9
207.13838	0.5
208.97598	0.3
211.09627	3.1
225.14766	0.3
226.98685	1.4
237.02766	0.3
244.99809	0.4
263.00687	0.8
299.55658	0.2
387.12286	0.2
387.16312	2.8
389.01822	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1411
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
55.89149	1.9
60.87997	1.9
65.03955	1.9
67.05483	2.0
69.34049	19.4
79.05463	2.7
85.02881	8.4
91.05454	3.3
95.04969	28.8
97.06532	1.8
99.04440	3.4
105.06958	2.1
119.08566	3.0
122.03669	8.9
123.04445	2.6
123.08011	2.7
135.07997	2.6
137.05968	100.0
138.06302	2.4
143.04903	3.2
145.06473	3.2
149.09619	2.7
150.58554	1.8
153.09071	9.3
161.05966	3.1
163.03770	2.2
167.07033	7.1
173.05833	3.5
181.04962	10.7
189.12784	4.5
205.08646	2.0
207.13800	14.4
225.14973	4.1
235.09639	2.5
235.40654	1.9
264.91452	1.8
306.10529	5.3
317.36545	1.7
357.13324	16.2
387.14328	34.4
387.19571	2.6
395.36917	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1073
Annotation	5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone
Peak:m/z	Relative Intensity
51.02382	0.3
53.03951	0.4
55.01846	0.2
64.47701	0.1
65.03928	0.2
66.93298	0.1
67.05494	0.3
68.51634	0.1
69.07063	0.2
77.03935	0.6
79.05470	0.4
81.07056	0.3
91.05473	0.2
93.06987	0.2
94.04202	0.2
95.04946	1.2
97.06518	0.5
102.04652	0.3
103.05457	31.3
104.05781	0.6
105.04514	0.3
105.07001	0.2
107.04960	0.2
111.04426	0.4
117.06987	0.4
122.03658	0.3
123.04452	0.8
131.04916	100.0
132.05217	1.7
137.05957	4.0
139.03894	4.2
144.08070	0.2
145.06441	0.3
147.04404	0.3
151.03957	0.2
165.05434	0.2
165.83612	0.2
167.07014	0.5
173.05957	0.3
181.04977	0.7
201.09087	1.0
219.10161	0.2
225.09088	7.0
226.09436	0.3
237.09055	0.5
239.81477	0.2
243.10014	0.2
263.53549	0.2
277.08499	0.5
279.10236	0.2
295.09436	0.2
297.11191	4.2
298.11053	0.2
323.08929	0.2
341.10052	0.3
357.13324	0.5
369.13260	0.7
387.14496	1.1
387.25275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05505	7.9
57.03424	3.1
57.07069	14.5
58.06582	1.3
61.02910	2.8
67.05495	1.3
69.03427	6.9
69.07060	4.5
69.71928	3.9
69.72334	1.7
71.04990	3.2
73.02917	1.0
73.06564	2.3
74.14035	1.1
78.54386	1.2
79.05491	4.8
79.30997	0.8
81.03420	3.2
81.07048	2.5
83.08614	3.8
84.90743	0.9
85.02901	17.1
87.04478	1.8
89.06026	76.3
91.03962	1.4
91.05470	4.2
95.04959	1.3
95.08599	1.5
97.02908	5.5
97.06523	25.5
98.21397	1.2
99.04447	1.1
101.09648	11.6
103.05447	2.0
105.07027	1.7
107.04974	3.4
107.07070	4.2
107.08606	1.5
108.62229	1.0
109.02873	2.0
119.04945	1.2
119.10685	1.4
121.02932	1.0
121.10079	1.2
122.03651	1.4
123.04424	2.4
123.08086	2.0
126.02228	1.1
127.03921	2.9
131.04930	1.6
131.08443	1.1
133.06506	1.2
133.08594	24.8
135.04430	1.7
137.05977	10.9
139.03914	3.8
145.04953	3.7
145.12227	14.5
147.04404	3.4
149.05965	1.5
151.03893	3.7
151.07570	4.1
151.09641	31.1
153.01834	1.7
161.05984	2.4
163.03917	7.1
163.07539	5.3
165.05463	1.0
167.07068	2.4
173.05948	1.4
175.03979	1.0
175.07570	1.4
176.14349	1.9
179.03412	1.3
181.12233	1.1
189.05522	1.0
189.09082	2.5
191.03387	3.0
193.04951	6.5
205.08531	1.2
207.10275	5.4
207.14018	4.2
207.15897	100.0
208.16298	3.4
217.08646	1.1
219.08261	1.0
219.10199	1.5
225.15033	1.1
233.07918	1.3
235.09633	9.9
236.09979	1.1
250.09508	0.9
259.09644	18.4
260.10034	2.0
261.07550	1.2
261.11264	1.4
277.10754	3.3
279.08713	1.4
287.09091	5.0
293.07974	1.0
305.10178	6.2
323.11349	8.3
324.19498	3.9
331.20932	1.0
351.10666	5.3
369.11871	1.1
386.12494	2.5
386.18680	2.2
387.14374	3.3
387.19882	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	386.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.8
55.01858	1.9
56.05030	1.5
56.96566	6.2
57.03433	6.3
58.06599	23.6
59.05018	1.3
60.04519	11.0
61.02925	5.9
69.03425	26.1
69.07073	1.9
69.30444	1.2
70.06582	2.5
70.32778	1.1
70.78780	2.3
70.79128	3.1
71.05003	1.8
72.08130	1.4
73.02903	3.0
76.07635	5.4
78.04689	1.5
79.05494	3.3
81.03413	6.2
81.53065	1.7
84.04501	2.1
85.02902	48.7
86.03230	2.3
86.09634	1.3
87.04465	15.0
87.09933	1.3
91.03973	2.0
91.05489	9.0
93.07029	1.9
95.01338	1.4
95.04983	1.8
95.08588	1.4
97.02888	24.0
97.06516	1.1
97.83803	1.2
98.97585	6.2
99.04457	3.6
102.05543	2.4
103.05473	2.3
105.07030	3.2
107.04944	17.8
109.02882	5.1
115.03914	16.9
116.98639	6.5
117.06998	2.4
119.04940	12.8
119.08595	1.3
121.06519	2.7
122.45994	1.0
123.04436	8.7
127.03915	9.6
128.98582	1.6
131.04903	1.4
132.08102	2.3
133.04979	20.4
133.06454	3.0
133.10143	1.4
134.03665	1.4
134.99643	3.4
135.04416	9.5
135.08081	1.4
136.07570	1.6
137.05959	3.6
138.70105	1.3
139.03883	2.4
141.01981	1.3
143.03394	4.4
145.04941	11.3
145.06479	9.9
146.06053	2.5
146.99634	1.7
147.04405	24.9
148.07584	1.8
149.05969	2.8
149.08385	12.7
150.07712	2.2
150.08983	1.4
151.03871	2.6
152.04749	1.4
153.01822	24.3
154.02165	3.6
156.06583	1.6
158.99646	2.4
160.07585	8.2
161.05997	3.4
162.09134	8.3
163.03932	5.0
163.06055	3.4
163.07472	1.2
165.05469	3.3
167.07034	100.0
177.00717	3.4
177.05386	1.6
181.03500	1.3
181.04987	1.8
188.07043	6.5
189.05566	1.4
189.12732	2.2
191.06992	2.9
193.08626	3.9
206.08116	13.4
207.06555	2.9
207.13870	2.9
208.97704	1.3
211.09660	2.5
215.06976	1.4
219.01904	1.3
224.09160	16.0
224.12766	1.5
226.98692	5.7
231.05281	1.8
237.02817	3.4
239.02347	1.3
240.05789	1.4
241.00177	1.9
244.99818	3.7
254.70677	1.2
259.01328	3.5
260.01648	2.0
263.00729	3.0
265.11115	2.3
277.02325	2.3
300.08423	1.3
301.02252	1.4
313.24182	1.4
324.14407	2.3
365.05328	1.9
368.13428	2.2
386.14432	6.4
387.16299	8.3
407.02814	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	386.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02395	2.3
53.03941	4.3
55.01868	4.6
57.03429	5.9
58.06572	1.8
61.02914	8.4
65.03926	2.5
67.05492	2.7
69.03427	15.8
69.07070	2.0
69.53915	9.3
69.54341	6.2
71.04990	4.9
73.02902	4.6
79.05137	1.8
79.05494	27.1
81.03394	8.5
85.02902	81.3
85.06538	29.8
91.03951	4.5
91.05436	2.2
93.07037	2.5
94.04173	2.2
95.04958	4.2
97.02879	17.7
97.06512	16.7
99.04445	4.0
105.03386	25.0
105.07037	2.9
107.04932	2.6
109.02851	5.6
111.04453	2.5
115.03953	2.5
122.03666	3.7
123.04427	100.0
124.04773	3.0
127.03919	20.4
131.04915	3.0
133.06477	2.1
137.05966	33.0
139.03891	33.6
145.04950	40.0
145.06226	2.7
145.06500	2.3
147.04414	4.6
151.03893	4.4
153.01779	2.0
161.06068	2.3
163.03844	6.7
163.06010	8.5
163.07301	2.1
167.07050	4.5
173.05899	2.4
181.04953	6.1
189.09074	8.4
203.10240	2.2
205.08696	2.3
219.10117	13.2
229.10728	3.3
237.08736	2.4
316.81329	2.0
357.13196	4.7
386.23895	2.7
387.14789	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	386.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	1.0
55.01870	0.6
56.05035	2.3
56.96561	0.9
58.06596	100.0
58.11030	0.5
59.06915	0.6
64.88404	0.5
69.03429	1.6
69.07071	2.1
70.06591	6.7
71.01337	1.0
71.59506	0.6
73.02930	0.7
76.07639	25.2
79.05514	0.8
81.03415	0.7
83.04974	1.8
85.02910	2.2
91.05475	12.4
91.06004	0.9
95.04949	0.9
97.02897	1.4
97.06520	0.6
98.06091	0.7
98.97575	0.6
99.00802	6.8
99.04420	0.7
105.06998	0.6
107.04956	2.4
109.02863	0.6
110.72511	0.5
111.11675	0.7
112.03983	1.4
116.98582	0.9
117.06979	0.6
119.04941	16.1
120.05746	1.0
121.10146	0.7
123.04408	1.6
123.08071	0.6
137.05960	1.0
137.09479	0.5
143.03387	9.7
144.64183	0.5
145.04875	0.6
145.06451	0.8
147.04391	8.2
149.05940	0.8
152.06166	0.5
153.01833	2.3
156.06535	9.0
163.07536	1.1
165.05446	1.0
167.07013	1.3
167.08441	1.0
175.07547	0.8
177.05447	4.5
177.06876	0.9
187.07477	0.5
191.06914	0.7
195.08035	1.9
197.05946	0.7
201.09087	0.7
206.08093	1.0
207.13805	1.3
211.07571	1.4
212.08321	8.1
213.09093	8.7
215.07028	1.2
222.11191	1.0
224.09245	0.7
225.14679	0.5
239.12718	2.9
240.04941	0.5
243.06606	1.0
251.05537	1.2
263.00714	0.8
269.08023	1.5
277.14438	0.6
279.08572	1.0
305.09998	0.6
323.14801	1.1
328.68851	0.6
344.10388	0.7
351.14316	1.4
358.08069	0.6
369.15372	2.2
386.15839	19.1
387.16248	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	386.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
55.04260	0.6
56.96568	1.1
58.06590	2.4
58.16878	0.6
63.67461	0.6
65.03236	0.5
67.05537	0.8
68.99797	1.6
69.03424	1.2
69.51709	3.3
69.52135	1.7
70.06590	100.0
71.06907	1.5
76.81546	0.6
79.05503	1.7
81.07066	1.2
85.02929	1.2
86.09696	0.8
86.66457	0.6
91.05505	1.8
93.07053	0.9
95.04972	1.1
95.08584	0.9
97.02880	1.1
97.06536	3.1
103.05474	0.8
105.07037	0.7
107.04923	3.0
115.07590	1.0
117.07031	0.8
119.04921	3.0
121.02895	0.8
121.06537	1.8
123.04423	12.8
129.07040	1.3
135.04399	3.3
137.05974	0.7
141.07028	0.9
142.07724	0.8
147.04405	10.5
147.99210	0.6
148.68726	0.5
149.05984	5.5
153.01828	0.8
155.08601	1.7
157.06540	0.6
159.04424	0.8
159.07932	0.6
161.05998	2.8
163.03896	2.7
163.07523	3.2
165.05452	5.3
167.07077	1.6
167.08575	1.8
169.06487	1.2
171.08031	1.4
173.06015	1.5
174.06656	0.6
175.07518	4.2
175.10890	0.7
177.05461	58.1
178.05853	1.7
181.06531	0.6
183.08066	1.0
185.05876	0.6
185.09576	1.6
187.07552	4.0
189.05437	1.6
189.09169	1.8
193.04996	0.9
195.06558	0.7
195.08090	4.1
197.06030	1.0
197.09601	1.4
199.07558	1.0
201.05399	0.9
201.09103	9.6
203.06946	0.9
207.06488	1.4
211.07535	1.4
212.08292	1.9
213.09073	4.8
215.07080	4.3
215.10707	2.3
217.08615	1.7
223.07571	2.3
225.09116	2.1
227.07101	1.1
234.11154	4.2
235.09666	0.9
241.08568	6.2
243.06564	2.4
243.10228	1.8
245.08107	2.0
251.07083	2.7
259.09708	1.8
261.07678	1.0
261.11218	1.6
269.08093	9.3
271.09610	1.1
279.06042	0.8
279.08932	2.9
281.08734	1.3
287.09158	4.0
297.07480	0.7
305.10101	6.0
307.08148	1.6
323.11404	1.9
325.09222	1.4
329.10175	12.9
333.09738	0.9
341.08636	0.9
351.10745	5.2
386.15958	46.4
387.16141	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
53.40955	1.5
55.01858	2.7
55.05514	4.3
57.03440	3.8
57.06770	1.5
58.06588	8.2
61.02917	4.6
63.30483	1.9
67.05489	2.5
69.03421	16.3
70.06585	23.2
71.59240	1.6
71.59637	2.1
76.07627	3.3
79.05476	4.7
81.03404	6.0
81.07058	4.8
83.04972	7.0
83.08620	2.4
85.02900	28.5
91.05492	9.6
93.07050	14.6
95.04953	6.0
95.08598	4.2
97.02896	6.5
98.97583	2.8
100.11221	2.5
105.07030	11.5
107.04942	3.4
107.08578	11.4
109.02876	4.3
109.06486	5.4
109.10133	3.2
111.08123	2.1
116.98610	2.0
117.07024	4.3
119.04926	4.0
119.08562	15.1
121.06488	21.2
121.10139	7.9
123.04422	5.7
123.08045	6.4
127.03918	6.4
131.04912	2.1
131.08551	5.8
133.06471	2.7
133.10120	11.6
135.04445	2.0
135.08011	9.7
135.11717	6.0
137.09601	3.2
139.03893	2.1
145.04997	2.6
145.10133	8.0
146.07214	3.2
147.04382	10.3
147.08058	5.7
147.11685	2.6
149.05968	7.0
149.09547	5.2
149.13243	2.0
153.01837	7.5
159.11693	15.2
161.05974	3.5
161.09630	13.5
162.10291	1.7
163.07559	2.8
163.11165	15.0
165.09070	16.5
167.07030	3.8
172.08867	2.3
175.11156	7.6
177.00815	2.2
177.05458	11.7
177.09262	2.2
177.12724	52.6
178.13063	1.8
179.10695	6.6
187.11118	8.5
193.08653	3.4
193.12239	4.0
205.12225	71.9
223.13269	100.0
282.18085	1.9
314.81372	2.0
314.85403	1.7
351.86182	2.0
367.17572	1.9
385.14377	4.3
385.18625	3.5
385.31683	2.3
386.15860	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	385.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54414	2.2
53.03939	4.3
55.01863	6.0
55.05514	3.1
56.96559	8.0
57.03440	6.1
58.06598	43.5
61.02916	6.2
67.05497	3.5
67.53163	2.0
69.03428	23.0
70.06588	27.8
70.21048	2.5
71.05000	4.0
71.59279	2.5
73.02930	4.8
76.07646	9.5
79.05490	5.4
80.93896	2.3
81.03416	7.5
81.07059	5.2
83.01278	2.7
83.04984	6.7
83.08636	2.8
85.02912	37.4
86.09674	2.9
91.05480	20.1
93.07054	19.7
95.04992	6.7
95.08614	5.7
96.09797	2.9
97.02875	15.0
98.97585	7.1
99.04456	2.8
105.07047	11.0
107.04932	6.1
107.08612	12.2
109.02866	4.4
109.06525	7.2
116.98588	5.1
117.07000	5.2
119.04941	9.3
119.08575	14.0
121.06508	25.3
121.10134	6.8
123.04459	8.1
123.08076	5.9
127.03914	10.8
129.06961	2.8
131.08585	5.7
133.10141	7.3
135.04413	3.7
135.08047	8.4
135.11740	5.7
137.09636	2.8
143.03439	5.5
143.08537	3.3
145.06544	3.2
145.10127	8.5
147.04358	6.2
147.08070	5.8
149.05988	10.9
149.09587	4.9
153.01787	4.5
156.06566	3.0
159.08083	3.1
159.11671	16.0
161.09598	21.6
163.03951	2.9
163.07567	4.8
163.11168	16.1
165.05495	2.5
165.09111	14.0
167.07057	3.6
175.07538	4.0
175.11206	6.3
177.00697	2.4
177.05484	12.7
177.09096	3.8
177.12744	59.7
179.10666	8.4
187.11191	9.1
191.10683	3.1
193.12238	5.4
195.08322	2.7
205.12225	82.0
206.12617	2.8
212.08389	2.6
213.09196	4.9
215.07088	3.4
223.13281	100.0
223.15436	5.4
224.13850	4.0
230.58279	3.1
237.02814	5.6
240.05075	3.0
329.10065	3.5
385.14670	50.9
386.15845	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	385.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12389	0.5
53.03918	1.1
54.10123	0.5
55.01852	1.2
55.05479	1.1
57.03402	1.6
59.05002	0.6
61.02924	2.1
67.05472	0.8
69.03430	7.6
69.07041	1.0
71.04964	1.1
71.59603	0.5
71.59969	0.7
73.02885	1.0
79.05465	1.4
81.03417	2.2
81.07022	1.0
83.01301	0.6
83.04949	1.4
85.02426	0.8
85.02902	10.3
87.04456	1.2
91.03919	1.0
91.05474	4.4
93.07058	4.2
95.04929	1.7
95.08569	0.7
97.02884	4.4
97.06513	1.1
99.04432	0.8
103.05463	0.6
105.07043	3.0
107.04952	2.7
107.08563	4.1
109.02861	1.2
109.06482	1.5
111.08054	0.6
115.05450	0.5
117.06982	1.4
119.04896	0.9
119.08591	3.5
121.05775	0.5
121.06517	6.8
121.10110	1.7
123.04399	2.0
123.08049	1.5
127.03934	2.4
129.07010	0.7
130.07803	0.6
131.08545	0.8
133.06476	1.1
133.10118	1.1
135.08040	3.5
135.11697	2.2
137.05945	1.0
137.09596	0.9
139.03876	0.7
144.09312	0.7
145.04919	0.9
145.06468	0.7
145.10072	1.8
147.04413	1.0
147.08047	10.5
149.05956	0.8
149.09618	0.8
151.07489	0.6
159.11691	2.9
161.09587	1.7
162.10406	0.8
163.07567	1.1
163.11174	5.4
165.09055	1.0
172.08830	0.8
175.11250	0.5
177.05432	1.2
177.12709	4.0
179.10640	1.1
187.11163	1.1
189.05385	0.7
202.09897	0.6
205.12219	5.6
223.13278	100.0
224.13647	3.1
233.08072	0.8
233.11716	1.2
351.10806	2.0
361.02304	2.6
362.02533	1.6
373.65060	0.5
379.03467	1.7
380.03748	1.1
380.99167	0.6
385.18442	15.6
385.28989	2.5
386.18646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1876
Annotation	dihydrozeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.03944	0.4
55.01847	0.7
56.96553	1.0
57.03431	1.9
61.02922	2.4
61.03176	0.4
61.95401	0.4
67.05493	0.5
69.03425	6.7
69.07064	4.8
71.04984	0.7
71.58975	0.7
72.08131	0.9
73.02915	2.2
79.05480	0.6
81.03401	2.3
85.02901	10.3
87.04466	1.4
87.08091	0.5
91.03942	0.5
91.05483	0.9
95.04956	0.9
97.02883	4.1
98.97580	0.8
99.04460	1.2
105.07015	0.5
107.04927	0.9
109.02860	1.7
119.04934	0.8
123.04417	1.6
125.02331	0.6
127.03911	2.0
127.88229	0.4
133.06482	0.5
134.99652	0.7
135.04428	0.5
136.06175	34.5
137.04552	0.9
137.06493	0.4
145.05046	0.5
147.04388	3.1
148.06169	15.6
151.03880	0.5
153.01845	0.7
155.05655	1.6
161.05989	1.0
161.98364	0.4
163.03923	0.6
166.07234	0.6
175.07310	0.6
179.05490	0.5
187.07552	0.5
189.05464	0.6
189.09116	0.5
203.06972	1.0
204.12436	5.4
210.05939	0.7
211.07648	0.5
215.07101	0.5
217.08562	0.5
218.09079	0.5
222.07626	1.5
222.13483	100.0
223.13783	1.9
229.08513	0.5
231.06488	1.8
233.08163	0.8
237.02766	0.4
238.05283	6.5
240.06992	0.7
249.07561	1.4
258.08136	0.5
264.14658	0.5
277.10504	0.5
285.07529	1.1
293.10449	0.6
303.08643	1.5
321.09674	1.9
324.07028	0.8
342.10422	0.7
349.09128	0.5
367.09964	0.9
384.13467	4.5
384.18674	29.1
385.14514	2.2
385.18942	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97195	0.7
51.79917	0.9
53.43432	0.7
56.96568	7.0
59.96392	0.8
70.24696	4.1
96.34212	0.9
98.97578	41.2
99.97929	1.7
116.98617	54.9
117.98936	1.2
118.98212	1.6
119.01894	4.8
134.99651	47.6
137.03011	2.4
137.61429	0.8
153.00705	10.2
158.01265	1.8
177.00934	13.8
178.01122	0.9
179.00790	0.9
201.01045	1.3
217.04044	1.8
219.01993	20.9
220.02080	2.6
225.01044	2.1
234.99931	3.6
236.00055	1.1
236.99733	4.1
240.98784	2.0
242.98532	1.9
243.01862	6.2
255.00967	1.3
258.99789	21.4
259.99982	5.3
260.99738	21.2
261.03079	100.0
262.00128	1.8
262.03253	3.7
263.03073	2.5
274.97672	1.6
277.00836	42.4
278.01013	15.1
279.00641	46.9
280.00833	2.1
283.00015	4.2
284.00247	2.4
284.04721	1.3
284.99750	11.7
285.99893	2.2
297.01437	1.4
301.00989	12.9
302.01077	8.3
303.00845	32.9
303.10925	0.9
304.00870	7.0
305.00882	1.4
319.02155	1.2
321.02081	2.1
322.01984	1.0
331.71936	0.9
343.02127	4.0
361.02274	5.7
379.02524	3.6
384.99390	1.1
385.03302	12.3
403.00320	5.0
403.05112	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	384.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
56.96566	0.4
57.03428	0.4
57.34367	0.3
58.06599	8.1
59.08894	0.3
63.68367	0.3
64.44961	0.2
65.03932	0.7
69.03421	1.0
70.05686	1.5
71.04980	0.4
85.02888	0.7
91.05477	5.6
95.04970	0.3
97.02859	0.7
98.21443	0.4
107.04996	0.3
113.05975	0.6
119.04935	14.9
122.94638	0.3
124.80766	0.2
124.99965	0.3
127.03904	0.7
136.06190	1.8
147.04401	100.0
148.04735	0.9
148.06174	0.6
153.01813	1.1
156.91716	0.3
162.07750	3.4
165.05460	0.6
187.87981	0.3
188.05652	0.9
191.06973	3.3
192.05164	1.5
204.08800	0.3
206.06731	0.7
222.11273	0.3
232.06143	0.3
234.06239	0.9
238.05368	0.5
252.07263	8.6
291.08652	0.8
303.08664	0.4
309.09604	1.9
353.12125	0.3
384.11548	1.9
384.16025	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	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.7
57.03432	6.3
57.07071	15.8
57.40102	4.0
59.04989	6.7
67.05498	48.8
69.03428	12.8
69.07059	12.5
69.55361	3.7
71.04990	8.5
71.59958	5.8
79.05494	39.6
81.07048	40.8
83.04988	4.5
85.06517	4.7
91.05471	46.2
93.07040	100.0
95.04953	30.2
95.08608	39.7
97.06526	10.8
103.05463	7.0
105.07021	73.6
107.04897	3.8
107.08586	47.2
109.06509	27.6
109.10169	37.6
111.08072	10.7
117.07037	11.7
119.08577	57.8
121.06523	11.8
121.10130	50.1
123.08080	30.7
125.09646	4.5
128.06145	5.0
129.07011	11.1
130.07771	8.0
131.08539	24.5
133.06508	7.9
133.10126	28.1
135.08064	23.8
135.11652	4.3
137.05952	7.4
137.09618	14.9
141.07051	5.4
142.07747	18.6
142.34653	3.8
143.08536	27.8
145.10121	35.7
146.07507	4.6
147.08032	30.7
147.11694	17.9
149.09633	25.2
151.07532	37.2
155.08537	9.7
156.09288	8.7
157.10126	46.2
159.08047	10.5
159.11697	20.3
161.09633	23.0
161.13245	12.6
163.11162	7.8
165.09087	45.4
169.10205	4.6
170.10883	7.8
171.11739	6.6
173.09599	8.0
173.11777	9.2
173.13235	8.9
175.11183	23.5
175.14821	8.8
177.09048	8.5
181.10086	5.4
181.21149	5.1
183.11578	5.4
185.13307	14.7
187.11140	5.9
187.14864	7.0
189.12769	12.4
191.14316	4.6
197.13191	10.5
199.11110	4.5
199.14850	6.6
201.12756	9.3
203.14272	34.2
207.13785	12.4
209.15199	6.0
215.14267	5.0
221.13309	7.9
221.15346	77.7
234.16129	13.9
269.12619	4.2
286.19278	4.7
287.20038	7.6
299.20236	5.4
303.19543	11.7
365.24728	12.5
383.20248	15.9
383.25662	72.4
384.25980	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	383.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.4
53.40173	2.2
55.01873	3.2
55.05505	10.1
56.96561	6.0
57.07070	12.0
59.04983	10.2
65.03926	4.5
67.05502	41.0
69.03421	17.7
69.07054	8.5
69.39954	14.1
69.40380	9.7
71.04974	8.0
79.05492	34.8
81.03408	4.3
81.07056	40.4
83.04965	6.4
83.08608	4.0
85.02895	3.0
85.06541	6.7
91.05482	47.4
93.07038	100.0
95.04976	28.0
95.08598	44.4
97.06558	13.5
103.05489	3.2
105.07024	89.3
107.04962	3.4
107.08592	40.1
109.06511	28.2
109.10162	23.1
111.08081	11.3
117.07051	12.7
119.08575	52.1
120.09375	3.1
121.06486	13.8
121.10132	50.2
122.07285	4.1
123.08080	27.7
128.06235	5.9
129.06990	11.0
130.07751	5.7
130.40923	2.5
131.08542	35.0
133.06499	6.8
133.10121	31.5
135.08060	22.4
135.11705	4.2
137.05910	3.0
137.09596	13.5
142.07782	20.7
143.08565	22.1
144.09315	4.6
145.06429	3.2
145.10112	33.0
146.07231	3.1
147.08046	25.8
147.11731	16.7
148.08846	5.0
149.09601	27.2
151.07535	44.8
153.06989	2.5
153.09105	5.0
155.08501	8.6
156.09290	6.1
157.10104	38.7
159.08054	9.7
159.11684	17.5
160.08818	4.4
161.09645	22.0
161.13261	10.2
163.11163	6.2
165.09131	42.7
169.10115	5.6
170.10883	6.8
171.08150	3.2
171.11678	7.2
173.09642	10.1
173.11862	3.5
173.13275	9.5
174.10265	3.6
175.11195	21.1
175.14825	5.6
177.09100	13.4
178.09882	3.5
179.08443	3.9
181.10120	3.1
183.11700	7.1
185.09608	2.7
185.13293	16.6
187.11111	3.6
188.11929	2.8
189.12741	13.0
195.11646	4.3
197.13287	3.6
199.11133	2.8
201.12766	4.7
203.14297	31.6
207.13754	12.7
209.13268	5.2
209.15240	5.3
213.12709	3.2
215.14244	6.3
216.14990	4.0
216.87677	2.5
219.13818	5.8
221.15343	82.2
225.12743	3.2
225.16261	2.5
227.14270	4.7
231.13760	4.9
233.15359	6.7
234.16058	15.4
237.14688	5.1
281.18988	5.2
286.19080	5.2
287.20117	9.3
299.20068	6.5
303.19565	6.8
327.19357	3.0
344.60150	2.6
359.60632	3.0
362.83670	2.8
365.24680	11.3
374.09650	2.7
376.77548	2.9
383.25784	74.7
384.26410	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	383.2577
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03937	7.5
55.01864	5.8
55.05506	15.0
56.96328	3.2
56.96565	39.1
57.03421	4.6
57.07055	10.9
59.04998	5.0
61.02896	2.5
65.03946	4.3
67.05502	39.8
69.03423	16.7
69.07050	9.0
70.98115	5.1
71.04983	4.7
71.59909	3.2
71.60340	3.8
74.97608	4.0
78.36362	2.7
79.05125	2.9
79.05490	32.4
81.07053	35.3
82.07399	3.3
83.04976	7.9
83.08597	3.6
85.06545	6.4
88.99146	8.3
91.02353	2.5
91.05474	53.1
93.06464	5.1
93.07042	100.0
95.04965	29.5
95.08599	40.6
97.06528	14.0
103.05478	3.0
105.07024	79.3
107.00203	3.4
107.08590	51.1
109.06505	25.0
109.10143	24.2
111.08067	9.7
113.32010	2.4
115.05413	5.8
117.07048	13.0
117.07751	2.4
119.07779	4.6
119.08579	57.4
121.06495	13.8
121.10143	52.6
123.08073	35.1
128.06204	9.3
129.07014	15.8
130.07733	3.7
131.08554	30.8
133.06474	11.4
133.10121	34.9
135.08061	23.8
135.11670	6.2
137.05984	3.5
137.09592	13.9
141.06938	4.1
142.07779	23.2
143.08569	21.7
145.10109	41.5
146.07228	4.1
147.08031	28.4
147.11700	20.7
148.08861	2.9
149.09621	27.3
150.10339	3.2
151.07532	46.0
153.09106	3.8
155.08569	7.6
156.09344	7.5
157.10136	40.3
159.08054	10.3
159.11664	21.5
161.09612	23.1
161.13214	9.3
163.11214	5.1
165.09114	45.7
169.10124	9.2
170.10939	7.0
171.11679	9.0
173.09593	9.4
173.13264	8.0
175.11148	18.6
175.14803	7.7
177.09128	11.8
178.09923	4.9
181.10172	3.0
182.10710	3.1
183.11717	8.5
185.09648	3.0
185.13300	19.6
187.11169	8.4
189.12738	10.9
191.14275	3.9
195.11668	4.8
197.13312	4.8
199.11270	2.7
199.14825	4.4
201.12744	11.6
203.14337	37.4
207.11804	3.1
207.13815	11.0
209.13318	5.0
209.15306	5.3
213.12709	3.7
215.14326	6.6
216.14928	2.8
219.13727	5.1
221.15356	88.9
223.14882	3.6
225.16232	2.8
227.14337	5.4
231.13622	3.9
233.15321	9.0
234.16226	16.0
235.16843	4.0
249.16145	4.0
255.17508	3.7
281.18982	3.0
286.05917	5.8
286.19211	4.7
287.06369	3.2
287.19989	9.4
287.56796	5.2
291.44086	3.0
293.57037	5.8
294.07236	9.0
294.57495	4.9
299.20120	4.3
300.20782	4.4
301.08167	5.0
303.19464	6.2
306.57986	4.0
308.09225	3.5
315.57904	3.5
316.58847	3.9
317.09540	3.0
322.59314	5.4
323.09454	21.0
323.59430	17.8
327.55399	2.7
332.09885	4.2
334.60153	4.9
341.59711	3.6
351.10541	3.9
359.60904	27.6
360.10849	18.6
360.60913	4.9
365.24695	11.5
368.61212	9.3
369.11249	4.7
371.11490	10.7
371.61594	6.7
383.11670	4.7
383.25790	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	10.0
55.01852	16.6
55.05503	22.8
56.96563	5.1
57.03428	17.0
57.07075	7.1
61.02916	14.5
65.03947	6.5
65.42591	5.0
67.05499	44.9
68.29941	5.3
69.03436	42.1
69.07062	30.2
69.98225	12.3
69.98619	12.3
71.01384	6.6
71.04985	46.9
73.02906	8.0
79.05488	42.5
81.03410	27.8
81.07051	100.0
83.04968	15.4
83.08617	8.2
85.02909	47.6
85.06528	7.9
89.19409	4.8
90.99756	4.6
91.05476	51.4
93.07034	65.8
94.33643	5.9
95.04953	26.2
95.08604	63.0
97.02885	19.3
97.06538	49.1
97.10157	5.0
99.04446	7.1
100.11220	5.7
103.03940	15.4
103.05445	6.8
105.07025	75.2
107.04974	7.7
107.08588	61.5
109.06512	20.0
109.10158	47.9
111.04433	9.4
111.08050	7.4
115.03915	7.5
117.07004	22.3
119.08585	63.6
121.06511	17.8
121.10144	50.8
122.35704	6.2
123.04389	9.0
123.08036	22.9
123.11703	19.8
125.05979	7.7
125.09659	15.1
127.03887	7.9
127.11201	25.4
129.06950	7.2
131.08601	27.7
133.06477	8.7
133.10129	51.6
135.08031	9.7
135.11682	42.9
137.06018	11.7
137.09627	10.9
137.13205	5.0
139.07544	10.2
141.06964	6.8
142.07784	10.8
143.08589	24.6
143.10730	5.4
145.04951	6.4
145.10101	41.1
147.04388	11.8
147.08073	9.2
147.11694	47.9
149.02364	10.0
149.09608	10.7
149.13255	19.1
151.11140	7.1
153.12746	10.4
155.08527	9.7
157.06454	5.1
157.10135	29.2
159.11682	52.6
161.09592	11.1
161.13225	23.5
165.12706	8.9
167.08492	5.5
169.10130	12.2
171.11708	21.1
173.13248	22.6
175.11089	8.0
175.14818	12.2
177.12767	8.6
177.16354	7.7
183.11722	12.2
185.13275	8.4
187.14795	19.6
189.12772	14.0
189.16377	20.9
193.15944	8.2
197.13231	14.6
199.14859	11.3
201.12679	10.4
201.16383	25.1
203.17961	20.0
207.11810	6.3
213.12756	6.2
217.10573	9.7
217.15822	6.6
217.19559	5.3
219.17427	8.1
227.17946	7.3
243.09093	6.9
245.19055	13.6
255.06419	7.1
309.10602	5.8
311.20050	11.6
329.21075	17.9
339.08505	6.4
347.22174	20.0
351.12262	6.4
355.11511	10.1
365.23251	20.1
383.10837	10.3
383.14929	26.4
383.19623	8.0
383.23950	29.4
383.28336	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	383.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72191	5.6
55.05511	41.4
56.36532	6.8
56.96557	14.4
57.03456	7.0
61.02919	9.0
67.05503	25.5
69.03438	38.4
69.07040	13.0
69.42419	62.7
70.06576	8.0
73.02922	9.1
79.05489	19.7
81.03404	17.4
81.07066	31.8
83.04974	23.7
83.08599	7.5
85.02896	52.7
91.05482	28.9
93.07027	21.7
95.04952	20.2
95.08608	24.4
97.02882	26.6
97.06524	30.4
98.97625	8.1
100.11248	14.7
105.07032	20.0
107.04955	8.8
107.08589	12.9
109.02878	12.2
109.06522	15.6
109.10137	14.3
119.04984	6.6
119.08566	46.0
119.60558	6.7
121.02806	12.0
121.10135	23.5
127.03860	6.8
131.08568	8.4
133.10121	38.9
134.99696	8.2
145.10144	11.1
147.04410	28.5
147.08058	39.7
147.11674	7.9
149.02301	15.7
151.11238	8.3
159.11703	7.7
161.09653	7.7
161.13246	72.6
163.11214	7.6
165.09160	16.3
169.05148	6.5
174.03729	9.3
174.09152	12.6
175.09511	16.2
175.14793	17.9
177.05568	7.2
185.13220	7.6
202.03271	42.7
203.08885	12.3
203.14302	58.3
203.17909	8.3
217.04840	6.4
221.15353	65.0
277.08899	9.5
285.04050	7.9
305.08142	13.4
315.04947	13.3
323.09100	6.6
336.06433	9.0
351.08545	39.0
355.11627	19.8
377.01450	7.9
378.02048	30.9
383.11032	48.6
383.15344	18.0
383.20563	16.4
383.27768	100.0
396.03275	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	383.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.0
55.01878	3.1
55.05262	2.8
55.05508	44.1
56.94985	1.7
57.03425	7.4
57.07062	1.8
61.02922	12.3
62.32801	1.6
67.05508	16.2
69.03426	51.8
69.07068	8.2
69.86330	10.7
71.04970	4.4
73.02908	6.4
79.05496	11.8
81.03419	14.3
81.07059	28.8
83.04976	22.5
83.08608	2.6
85.02903	58.6
87.04455	7.3
91.03945	5.0
91.05472	15.2
93.07030	16.1
95.04955	14.0
95.08590	11.3
97.02899	22.7
97.06532	8.4
98.20779	1.8
99.04443	5.3
100.11261	5.2
105.07027	26.7
107.04915	2.6
107.08564	11.6
109.02859	7.5
109.06536	15.9
109.10140	4.7
111.08048	2.5
115.05447	1.8
117.06992	5.4
117.29520	1.7
119.04924	2.1
119.08574	62.7
121.06533	2.5
121.10140	24.5
123.08084	3.7
123.11707	1.9
127.03869	14.1
128.06218	2.8
131.08580	3.4
133.06493	2.2
133.10127	59.7
135.08025	2.9
135.11646	2.5
137.06001	2.2
137.09604	4.2
143.08604	3.0
145.04974	7.8
145.10141	12.8
146.07170	2.1
147.08051	51.7
147.09227	3.4
147.11647	6.5
149.09560	2.9
151.11156	6.4
153.01752	3.4
155.08562	2.4
157.10146	3.4
159.11676	9.2
160.12468	3.5
161.09622	19.9
161.13251	100.0
163.11163	3.3
165.09111	23.2
170.10893	7.1
173.09544	5.6
173.13304	2.9
175.11237	4.6
175.14806	33.3
177.12918	1.8
185.13216	11.1
188.11981	7.8
191.14363	4.4
203.14314	83.6
217.08650	3.4
221.15363	76.1
222.15817	3.1
245.08101	3.0
339.08463	4.1
339.12222	2.1
355.11636	2.8
365.13803	4.1
378.02228	3.1
383.11154	7.9
383.15515	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	383.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97447	1.1
52.07580	1.1
52.92212	1.1
55.01860	1.5
56.96558	3.8
57.03436	1.5
61.02913	1.6
69.03432	8.2
70.59438	3.4
77.19243	1.0
81.03399	3.3
84.49581	1.0
85.02899	14.0
88.11251	2.9
97.02884	6.2
99.04443	1.2
105.06981	1.1
107.04948	3.1
109.02827	1.1
115.05457	6.1
116.98670	1.6
120.08112	1.2
123.04424	1.8
127.03900	4.2
130.06526	9.1
131.04881	1.4
132.04457	1.5
132.08070	4.4
133.02737	1.2
134.05989	6.2
134.99690	1.9
146.06017	4.6
147.04340	1.2
148.07562	14.7
148.19162	1.1
153.01814	6.1
158.06017	22.0
158.07178	2.0
159.06555	1.1
160.07567	25.2
162.05492	55.4
164.98358	1.3
170.05977	1.4
172.07603	2.9
175.08658	28.9
176.07121	1.6
176.44049	1.0
179.02225	1.0
184.07405	1.1
186.05493	34.2
199.08722	1.8
200.07085	1.8
204.06544	90.0
205.06931	2.3
211.02681	1.4
221.09198	100.0
228.06551	3.6
233.09145	1.5
242.03589	1.3
243.07246	1.2
245.09131	3.0
246.07600	1.6
263.10257	5.1
270.07632	1.3
271.93835	1.1
274.10751	1.4
283.01529	1.1
287.10043	1.3
323.06281	1.4
365.13837	1.6
383.06104	1.5
383.13599	10.8
391.71024	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36129	1.2
54.09451	1.2
55.79556	1.2
55.93529	1.0
56.96558	2.8
57.03434	2.7
61.02918	2.5
68.90127	1.0
69.03427	8.9
70.02935	1.4
71.58039	1.7
73.02926	1.9
74.02432	1.4
81.03406	7.1
82.02910	1.3
85.02903	32.9
97.02889	7.5
99.04433	2.9
103.03917	2.5
106.06527	1.9
109.02882	3.5
112.35069	1.1
115.05454	1.6
116.98621	1.4
117.05723	1.6
118.06564	5.7
127.03905	5.4
130.06525	63.6
130.45338	1.1
132.04449	19.8
132.08099	6.5
134.06030	1.8
142.06419	2.7
143.07262	1.8
144.06993	1.5
144.08086	24.4
145.07599	19.1
146.06006	9.8
148.07555	3.1
154.06529	5.4
156.06792	1.4
156.08063	4.0
157.07608	60.2
158.06006	50.0
158.08095	3.1
159.09200	8.6
160.07515	2.0
166.06534	1.8
167.07288	2.0
169.07611	5.8
170.05992	3.8
170.08279	2.0
171.06853	2.0
171.09148	8.6
172.07547	10.4
173.07092	1.4
174.05455	6.1
175.08670	52.9
176.07106	2.8
176.08734	1.6
180.08038	1.6
181.07611	3.7
182.06015	2.0
182.08344	2.8
183.09164	16.8
184.06146	2.3
184.07634	3.5
185.07115	11.1
186.05482	4.0
186.07845	3.0
187.08611	2.0
188.07043	1.9
190.08691	1.5
195.09258	1.6
197.07083	1.5
198.09204	1.4
199.08662	10.5
200.07074	17.9
203.08150	100.0
204.06525	3.7
204.08452	3.2
207.09152	2.2
209.07111	6.9
213.06581	1.6
215.08221	3.0
216.08920	3.2
217.07721	2.2
217.09724	32.6
221.09195	50.3
222.09154	1.5
225.10153	1.3
227.08119	10.5
228.06554	4.2
231.07661	6.3
238.08627	1.8
243.07523	1.6
245.09181	23.7
251.08853	2.8
257.09171	2.7
263.10278	39.1
269.09146	2.2
274.10770	1.5
275.10233	1.2
293.08978	1.8
299.10297	7.1
302.10269	1.6
311.10272	2.6
329.11160	3.5
330.09686	1.4
347.12320	11.3
348.10678	10.0
365.13425	28.1
383.09512	2.5
383.14420	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	383.131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87963	0.3
56.96562	1.6
57.03431	0.4
60.04513	0.7
67.05504	0.3
69.03420	0.6
70.06593	0.9
70.75317	0.9
71.04971	0.3
72.08141	0.3
79.05545	0.3
84.04482	0.4
85.02914	1.1
91.05492	1.1
97.02905	0.5
97.06507	0.4
98.97572	0.4
99.04453	0.4
105.07027	0.4
107.04962	0.4
116.98606	0.5
119.04924	0.3
119.08569	0.5
121.10178	0.4
123.04430	0.5
127.03947	0.4
133.10091	0.3
135.00774	0.4
137.85963	0.3
145.02898	0.4
147.04391	0.7
153.01855	1.3
153.61528	0.3
177.05476	0.4
181.04968	0.5
185.04218	1.1
187.07619	0.5
189.05406	0.4
190.07327	0.3
193.37158	0.3
195.03299	0.3
203.14302	3.1
203.78387	0.3
217.08577	0.4
221.07843	0.9
222.13441	0.4
234.08841	0.6
238.05362	0.7
239.02362	0.5
325.09143	0.4
338.49060	0.3
383.13147	100.0
384.13504	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	383.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03425	1.5
55.01870	1.4
56.96563	3.0
69.03428	3.1
69.46670	10.4
70.06560	1.9
81.03436	1.4
83.64956	1.4
84.04507	1.9
85.02902	4.7
91.05486	2.8
95.05000	1.6
97.02876	2.9
98.97578	1.6
105.03424	2.1
105.07038	1.5
107.04961	2.0
114.94959	1.4
116.98608	1.7
119.04959	3.3
123.04433	3.6
127.03896	1.9
127.16347	1.3
131.04909	2.3
133.02831	2.4
134.99602	2.0
137.05942	1.6
137.12131	1.2
139.03908	3.7
147.04398	13.0
151.03871	1.8
153.01848	6.1
161.02376	4.7
163.03909	10.1
165.01846	1.5
165.05505	2.5
170.23051	1.3
173.02351	2.0
177.05467	2.5
181.04977	3.5
183.03024	1.6
189.01839	11.8
190.02466	1.6
191.03410	19.9
192.04280	1.7
193.01350	1.4
193.04913	2.4
197.01065	1.8
199.03900	1.4
203.03453	1.8
205.05099	1.3
207.02946	3.7
210.99049	2.0
217.01337	25.8
218.02094	6.0
219.02983	7.4
221.04457	7.8
226.98639	1.7
230.35948	1.4
234.01614	7.2
235.02419	5.0
237.02814	2.5
245.00858	15.2
245.62833	1.5
246.01282	1.3
247.02371	5.6
249.03941	60.6
250.04303	1.8
261.03867	3.1
263.01926	5.3
273.00247	20.0
274.01074	6.0
275.02017	3.3
277.03433	15.3
279.04803	1.7
289.03323	2.9
291.01450	2.4
300.99768	13.8
305.03006	4.4
333.02390	5.0
342.00250	1.6
351.03473	100.0
352.03677	3.6
383.12473	4.1
383.16946	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	381.08
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84287	1.6
98.21427	0.4
103.90838	0.3
201.01595	3.9
219.02669	3.7
293.07135	0.6
381.07913	100.0
382.08179	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	382.9984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98661	0.3
56.96566	6.7
69.46193	0.8
69.46621	1.8
71.95257	1.2
84.56577	0.3
89.71407	0.3
90.42059	0.3
98.97575	49.3
99.97955	0.3
111.95905	0.3
116.98611	56.8
117.98990	0.6
119.01923	0.4
121.55523	0.3
127.90305	0.3
134.99649	47.8
140.00217	0.8
142.28079	0.3
152.99452	0.6
153.00699	9.5
158.01277	1.1
177.00954	1.1
198.97736	0.3
216.98773	1.1
219.01923	1.6
220.02071	1.2
221.01762	0.4
234.99855	2.8
236.00075	0.8
236.99727	0.4
240.98572	4.6
246.68414	0.3
250.97809	0.4
253.00894	0.7
258.03088	0.5
258.99768	46.7
259.99948	3.4
261.00235	0.6
261.02762	1.6
262.03180	0.6
263.02875	0.8
264.98898	0.5
275.97977	0.4
277.00809	100.0
278.01013	6.2
279.00943	1.1
282.01334	1.4
282.99936	7.4
284.00128	2.7
284.99854	0.7
289.96893	0.4
290.00418	0.3
295.01855	1.5
298.97159	0.4
300.02408	2.5
301.01022	17.8
302.01154	6.9
303.00836	2.9
316.56595	0.4
316.99057	0.4
317.98950	0.9
319.02029	1.0
320.02386	0.6
341.01682	0.8
341.99237	0.5
359.01593	4.0
360.00128	1.0
377.02750	2.2
382.99496	0.7
383.03699	1.0
401.01184	7.7
402.01263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15561	0.7
55.01858	0.7
55.05519	0.9
56.96565	1.3
57.26080	0.6
58.57177	0.6
69.03428	1.0
69.07092	1.1
70.06573	2.2
71.04999	0.8
71.59543	0.7
72.08147	1.3
73.01048	0.6
79.05476	0.9
80.72323	0.7
81.07041	1.1
83.04957	0.7
85.02896	2.6
86.09697	1.1
86.91861	0.8
91.05470	1.5
110.03627	0.6
116.98595	1.3
119.04975	0.7
119.08611	0.8
120.08089	1.5
121.10137	0.6
129.07010	0.7
137.05988	0.7
145.02774	0.9
147.04404	0.8
150.38519	0.7
153.01802	2.1
155.07381	0.7
177.05450	2.1
181.04935	0.8
185.04210	57.4
189.10234	0.9
201.09146	4.9
203.05293	0.8
207.06560	1.4
217.04741	14.2
235.05873	1.4
379.09979	100.0
380.10236	2.5
397.10287	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.3
56.96566	45.1
61.02935	8.0
69.03421	22.7
70.12189	4.8
71.05016	5.7
71.58885	6.2
71.59230	6.8
74.06043	8.4
79.01849	8.8
81.03407	9.7
84.96049	6.5
85.02895	24.4
86.09699	16.4
96.67397	7.3
97.02875	16.4
98.97571	40.5
107.01238	5.2
108.87439	5.1
109.02895	9.6
110.97586	9.5
112.07560	5.9
116.98627	43.9
127.03918	10.0
128.98589	27.1
134.99680	38.8
137.05992	8.0
143.00175	7.2
145.01721	10.4
145.03407	7.3
146.99681	29.6
147.04387	10.9
149.01138	12.1
153.00706	11.7
153.01822	100.0
154.02199	8.9
158.99684	15.9
161.01186	16.2
170.99699	7.2
177.00705	25.3
189.00684	11.2
217.05391	10.1
219.01685	26.3
233.14911	12.1
237.02806	79.8
253.04578	30.0
255.03906	7.4
262.05164	38.0
268.04120	9.6
273.08148	19.4
274.06937	11.1
280.07080	8.5
280.57083	7.7
289.07574	10.8
291.08963	12.1
304.12073	7.0
379.10004	44.9
397.10056	27.1
399.46344	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	378.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03948	2.2
70.65511	0.3
72.09489	0.4
73.02898	1.2
77.03911	0.8
79.73011	0.4
80.97430	0.3
95.04966	4.4
98.21485	1.3
105.03386	100.0
106.03724	2.2
147.04433	1.0
169.57776	0.4
199.07532	27.6
200.08020	0.6
211.07532	6.8
251.07076	4.3
253.08600	0.5
269.08044	1.0
271.09647	15.5
272.10031	0.7
279.06436	0.4
289.10632	1.4
297.07571	1.0
302.72336	0.4
315.08636	5.7
333.09888	0.5
361.09259	2.5
398.04291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	7.1
56.48079	1.1
57.07063	3.9
57.63396	1.2
62.99381	1.2
67.05487	1.4
69.03400	1.2
71.59449	1.7
81.07042	2.3
83.04970	4.1
85.02904	2.5
85.06554	2.4
87.96875	1.0
88.58141	1.0
91.05476	2.2
93.07035	4.8
95.08596	5.5
97.06487	1.1
105.06997	1.8
107.08598	8.4
109.06540	2.0
109.10146	2.0
111.04437	44.1
111.08031	1.8
112.06340	1.0
121.02851	1.3
121.06504	1.5
121.10128	1.3
125.05987	9.7
128.76439	1.1
135.08034	6.7
135.11681	10.8
137.05983	1.8
139.07553	1.0
145.10139	7.9
153.12756	3.9
157.42993	1.1
163.11174	15.2
181.12228	100.0
199.13281	37.8
313.86160	1.1
366.94955	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.178
Annotation	Ser Asp Arg
Peak:m/z	Relative Intensity
55.05493	0.5
55.93497	0.5
56.96553	1.7
69.03406	1.2
70.06596	2.6
71.59539	0.5
79.05466	0.4
81.03370	0.5
81.07027	0.5
84.04472	0.6
85.02897	1.3
91.05486	1.1
93.07050	0.4
97.02870	0.5
98.97559	0.6
109.06516	0.5
116.98623	0.6
119.04945	0.5
120.08135	0.8
123.04417	1.0
130.49670	0.4
132.95833	0.9
134.99669	0.9
137.05969	1.5
147.04472	0.5
150.96873	1.0
150.99155	0.5
151.07468	0.7
153.01801	0.7
153.05438	0.6
159.09151	0.5
163.03879	0.7
165.05443	0.6
172.95255	1.8
173.09230	1.4
177.00705	0.6
177.09163	0.4
190.96281	1.6
195.03304	0.6
215.12518	0.5
230.11270	0.6
234.13313	0.5
286.12335	0.4
318.98788	0.6
377.17801	100.0
378.18094	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	377.0863
Annotation	5,7,3',5'-Tetrahydroxy-3,6,4'-trimethoxyflavone
Peak:m/z	Relative Intensity
55.01875	0.1
65.03936	2.9
68.99771	0.2
70.86845	0.3
71.01356	0.2
74.99861	0.1
79.01796	0.2
84.66782	0.1
109.02778	0.1
111.04443	2.6
111.30217	0.1
121.02862	100.0
122.03174	0.9
147.04453	0.1
149.06027	0.1
153.01823	0.1
215.07021	10.1
216.07382	0.2
227.07016	1.1
267.06552	1.1
269.08038	0.2
285.07574	0.3
287.09122	5.6
295.05856	0.2
313.06961	0.3
318.69244	0.1
331.08170	0.5
400.21942	0.1
401.75726	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	377.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01868	29.4
56.96566	100.0
57.03431	21.3
59.04983	5.8
61.02915	18.9
61.32933	4.2
62.57016	4.4
69.03430	16.2
69.33716	24.0
69.34151	25.2
71.01349	19.6
71.04987	19.9
72.08144	8.6
73.02924	37.5
74.97586	5.8
83.01340	20.8
84.08145	8.5
84.96034	23.0
85.02904	35.7
87.04472	22.8
95.01290	6.3
97.02888	22.2
98.97569	23.6
99.04461	5.3
101.00895	10.5
101.02371	77.0
108.46072	4.4
109.02873	6.2
111.00797	22.5
113.02374	6.8
113.73689	4.6
115.03925	36.0
116.98604	28.7
119.01935	31.4
121.01675	47.1
127.03919	21.4
128.04352	4.8
128.98656	8.0
129.01866	15.8
129.17722	5.9
131.00203	6.7
131.01921	14.4
132.00690	6.5
133.01755	10.5
133.03468	14.0
133.04958	11.0
134.99646	28.0
135.03209	17.4
137.02930	11.3
139.02676	11.0
142.96518	8.7
143.00169	21.0
143.03430	24.1
144.98065	6.0
145.01665	7.0
145.03455	11.5
146.99564	31.1
147.01355	8.4
149.01183	8.3
151.02719	5.3
153.00670	5.0
156.97447	6.2
157.01349	23.6
158.99655	8.3
160.97598	23.0
161.01227	85.6
161.02940	16.6
161.04352	9.7
162.99153	16.2
163.02754	7.9
163.04515	10.3
165.00708	18.7
170.99544	8.1
171.01425	6.8
173.03015	15.1
174.98828	17.5
175.02594	9.4
177.00711	17.6
177.02274	4.9
179.02235	30.8
181.00159	8.2
185.03017	5.4
186.99248	9.3
187.00885	9.1
188.97098	7.3
189.00661	26.2
189.02402	10.4
189.03981	16.3
191.02222	14.7
193.00136	40.0
193.01701	5.5
193.03641	5.7
195.01508	5.4
195.07478	5.5
201.00677	9.2
202.98689	8.1
203.03911	5.7
205.00208	19.1
205.01956	6.8
206.98085	15.2
207.01721	16.2
207.03513	8.5
210.99077	6.0
212.02367	5.0
213.02399	11.0
217.00099	23.1
219.01740	19.0
221.03200	10.4
221.05067	8.7
223.01143	24.0
223.04759	5.4
223.92795	4.7
229.00211	7.8
231.03568	7.6
232.99420	7.9
237.02637	6.3
245.05124	6.3
247.01089	5.5
248.99106	9.1
249.02896	17.5
256.99609	7.2
267.00327	20.8
267.03741	9.8
275.02811	10.4
317.01624	12.6
335.03116	18.0
363.02576	7.8
377.04901	88.4
377.10385	13.7
377.15140	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07205	0.2
56.96558	0.2
59.03062	0.2
65.03937	4.0
69.03419	0.2
69.50666	1.5
72.08136	0.2
79.05490	0.2
81.07050	0.2
91.05496	0.3
92.05000	16.1
98.20792	0.4
110.06033	0.5
113.00743	0.2
120.04459	100.0
121.02879	0.3
121.04816	1.6
138.05455	0.3
289.09348	0.2
299.51776	0.2
302.95978	0.2
345.49847	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.01884	0.7
55.05511	2.7
56.05038	0.3
56.96570	0.5
57.03457	1.1
58.06602	2.7
59.05009	0.8
61.02895	0.3
65.03949	0.6
65.74558	0.4
66.22566	0.3
67.05511	4.2
69.03445	1.3
69.07069	3.6
70.06633	0.4
71.04982	1.9
71.59144	0.4
71.59543	0.4
73.02934	0.5
76.07645	3.5
79.05508	3.2
81.03419	0.6
81.07057	10.8
83.04993	0.5
83.08611	2.3
84.04548	0.7
84.96067	0.3
85.02895	2.0
85.06528	1.8
86.09732	0.5
87.04485	0.3
91.05486	3.1
93.07043	3.3
95.05016	1.0
95.08606	13.3
96.08137	0.5
97.02905	0.6
97.06540	1.9
97.10184	0.7
98.06047	3.8
98.97598	0.8
99.06921	0.5
99.08091	0.8
103.05482	0.9
105.07037	3.1
107.04968	0.9
107.08597	2.0
109.06554	1.3
109.10166	1.6
110.06108	0.4
111.08067	0.8
112.07594	3.1
117.07014	0.8
119.08576	3.8
120.08094	0.3
121.06538	0.5
121.10145	1.6
122.09690	0.6
123.04472	0.4
123.08077	1.4
124.07621	1.8
124.08427	0.4
125.09695	0.4
126.09152	0.5
127.03954	0.6
127.07581	0.5
131.08604	0.6
133.10141	2.1
135.08081	0.6
135.11729	1.3
136.11281	0.5
137.06001	1.4
137.09613	0.7
137.13304	1.0
138.09143	1.4
146.05988	0.3
147.11684	1.5
149.05994	0.5
149.09677	0.4
150.12778	0.7
151.03911	0.7
151.07570	0.7
153.01889	0.4
161.05984	0.5
161.13280	3.2
163.03969	0.9
165.06909	0.4
167.07039	1.0
175.07513	0.7
177.09108	1.1
178.15973	0.7
179.14314	1.1
180.13751	0.3
181.04907	0.3
184.13345	0.4
189.12764	0.3
191.05200	1.6
191.08208	0.9
194.15399	0.4
196.13399	0.5
196.16942	1.0
198.14980	0.4
200.05792	0.9
207.13797	0.4
208.16978	1.0
210.18600	0.4
213.11307	1.9
214.14401	4.8
226.17998	0.4
236.20091	12.7
253.08731	0.4
254.21162	44.8
255.21344	0.8
261.05444	1.1
263.07172	0.5
265.05035	1.1
270.08777	0.3
272.07809	2.1
272.22198	100.0
272.57993	0.6
273.22693	1.7
276.10785	0.5
279.06470	4.0
285.11246	0.8
294.62070	0.5
300.66196	0.3
303.06577	1.6
307.05975	0.6
307.12714	0.4
321.07532	1.1
363.08548	0.8
375.14218	1.0
375.19507	0.8
375.24606	0.4
375.28638	4.1
375.64609	0.3
376.19580	0.4
381.09604	1.5
382.10147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2377
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03938	5.2
55.01873	7.1
55.05510	18.7
57.03423	9.4
57.07068	5.0
59.05007	2.4
61.02926	9.0
67.05500	10.4
69.03125	0.7
69.03426	33.9
69.07068	42.0
69.27472	1.7
71.04991	9.5
71.08612	1.6
73.01437	1.8
73.02912	5.6
79.05495	5.4
81.03413	13.3
81.07053	29.2
83.04967	7.3
83.08618	8.8
85.02904	80.5
85.06541	28.7
87.04457	6.2
91.03951	4.9
91.05473	3.0
93.07032	14.7
95.08604	45.5
97.02882	26.5
97.06530	3.9
97.10176	11.5
98.21622	2.8
99.04457	4.3
99.08086	24.0
105.07030	3.1
107.08586	21.3
109.02892	9.3
109.10142	16.6
111.08066	3.7
111.11712	7.8
113.09638	9.8
121.10142	41.4
123.11713	10.5
125.09626	6.5
126.10295	1.4
127.03902	14.9
127.11134	1.9
135.11679	19.9
137.06007	1.5
137.13255	20.7
137.14246	2.3
139.11191	10.2
145.04950	14.4
149.13242	5.3
151.03934	2.4
151.14859	6.0
153.12759	13.5
167.82838	1.2
173.70842	1.2
177.16377	100.0
187.15735	1.3
195.17441	39.3
213.18497	42.5
229.44908	1.1
264.25885	1.3
265.51364	1.3
281.26797	1.3
354.36423	1.5
375.23706	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	375.1989
Annotation	Ala Glu Arg
Peak:m/z	Relative Intensity
55.01869	0.4
56.96565	0.3
57.03441	0.5
69.07045	0.4
70.04339	1.4
70.06577	0.3
71.04969	0.5
72.93033	0.3
79.05489	0.7
81.07056	1.8
85.02898	0.4
86.99024	0.4
89.91794	0.3
91.05474	0.8
93.07042	0.4
95.08584	0.8
99.08092	0.6
105.06984	0.4
107.08600	0.6
109.10123	0.3
111.04441	0.5
116.01649	0.6
119.04944	0.7
121.06571	0.4
137.05984	0.8
147.04396	3.1
148.04752	1.4
151.03914	0.7
153.05449	0.9
161.05968	0.4
162.02252	0.6
167.07022	0.8
175.07564	0.3
177.09186	0.3
194.88107	0.3
213.14626	2.8
219.10234	0.5
259.08560	0.4
259.11096	1.0
325.10941	0.4
332.09863	0.4
346.57260	0.4
357.13300	0.4
370.27744	0.4
375.19885	100.0
376.20218	3.1
387.85657	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1439
Annotation	Vladinol D
Peak:m/z	Relative Intensity
50.70966	0.5
53.03936	1.2
55.01868	1.3
55.05520	0.6
65.03922	2.2
65.09642	0.6
67.05495	3.2
69.03425	0.6
69.95804	1.2
69.96220	2.3
79.05473	2.0
81.03421	7.8
81.06618	0.6
81.07052	2.3
84.04488	0.8
85.02891	1.5
86.09692	1.1
86.24199	0.5
87.10042	0.7
91.05463	2.1
93.03403	1.0
93.07014	1.1
94.04178	1.4
95.04983	3.0
95.08593	1.8
97.02846	0.8
102.68950	0.5
105.07061	0.7
107.04958	1.2
108.02081	3.2
109.02888	0.9
109.06538	2.2
110.06059	1.1
110.66820	0.6
111.04460	2.7
112.07583	0.5
115.05458	3.3
117.07011	1.0
119.04922	0.6
119.08604	0.7
121.06477	0.9
122.03646	3.3
123.04443	1.4
124.07580	9.1
125.05988	1.8
128.06226	2.5
129.07013	8.2
131.04922	2.3
135.04419	1.1
136.07581	1.8
137.05971	49.1
138.05499	1.6
140.07076	0.7
141.05476	4.9
143.04958	3.8
144.05655	0.6
145.06480	1.5
147.04417	1.6
147.06891	0.5
147.08067	2.2
149.06046	1.0
150.79305	0.6
151.03906	100.0
151.05003	8.1
152.04256	1.1
153.01816	1.3
153.05496	4.1
153.06738	0.9
153.07849	7.8
157.06490	12.1
157.65820	0.6
159.04366	0.9
160.05202	1.6
161.05984	3.3
161.09628	2.3
163.03920	0.8
163.07536	0.9
164.07050	1.8
165.05490	1.9
166.08665	1.2
167.07054	2.2
167.08414	0.8
171.04399	4.5
174.06787	1.1
175.07581	5.3
176.04771	1.0
177.09160	1.3
179.07034	0.9
181.04958	1.3
187.07571	2.1
188.04739	1.2
188.20578	0.6
189.09099	8.9
191.07037	8.0
191.08618	1.2
195.08878	0.8
196.09720	2.6
203.07030	24.8
204.07413	0.6
205.08635	4.2
207.08049	0.8
215.07036	2.1
218.07304	0.9
219.08080	1.5
221.08043	6.0
227.11507	4.7
233.08040	5.5
235.07378	1.4
236.08157	0.7
236.20161	1.5
237.03055	0.6
243.06528	1.4
247.07584	2.1
254.21115	1.8
261.09183	1.3
262.06546	0.7
263.07077	0.9
265.08566	1.1
270.05957	0.6
271.06265	0.9
272.22235	9.3
275.07092	0.7
277.08734	1.1
279.09985	2.7
284.10626	0.7
285.07596	0.7
286.08273	3.0
289.08362	0.6
295.09738	2.4
307.09702	3.9
309.11313	1.3
311.12946	1.4
312.09967	0.8
321.11258	4.0
327.12305	8.1
339.12195	6.7
357.13339	6.4
375.14587	2.3
375.19931	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.6
55.05501	2.3
56.49073	0.8
57.03427	2.3
57.07064	0.9
58.06580	2.6
59.04985	1.2
61.02924	1.3
67.05498	5.8
69.03421	2.7
69.07046	3.0
71.04969	1.0
71.59367	1.2
73.02902	3.8
75.87764	0.9
76.07642	4.4
79.05498	7.2
81.03394	1.2
81.07051	10.1
83.08585	1.6
84.04482	2.0
84.08101	1.4
85.02893	3.5
86.03215	1.2
86.09695	1.0
91.05459	4.8
93.07030	3.8
94.04160	2.3
95.04958	3.0
95.08595	15.0
97.02862	1.1
97.10177	1.1
98.06044	6.5
103.05451	5.5
105.07011	3.0
107.04947	8.3
107.08564	2.1
109.06512	1.5
109.10148	1.5
110.03649	1.1
111.04480	1.5
112.06917	0.9
112.07597	4.8
115.05417	1.4
119.04921	3.4
119.08563	2.8
120.08105	13.2
121.06498	2.9
121.10144	2.2
122.03611	2.8
123.04417	3.8
123.08036	1.2
124.05185	1.7
124.07581	0.9
125.05961	1.7
126.41918	0.8
127.03869	2.1
131.04889	5.1
133.02856	1.2
133.10126	3.2
134.03639	1.0
135.04385	1.2
135.11678	1.6
137.05975	69.1
138.06303	21.3
138.09161	1.9
145.04967	1.5
147.04393	2.4
148.05156	1.0
149.05962	4.7
150.06850	1.0
151.03877	3.2
151.07521	1.2
152.04684	1.2
152.06117	1.2
153.01802	1.6
153.05505	2.1
161.05969	7.5
161.13254	3.6
163.07526	1.5
167.07043	30.5
169.06406	1.1
172.08681	3.6
175.07513	4.0
179.07045	2.3
179.14308	1.0
180.13785	1.0
184.08752	1.4
191.07027	2.6
191.08636	1.3
193.06647	1.3
195.07997	1.6
195.10202	0.9
197.05908	1.2
203.06960	4.3
205.06599	1.2
207.06320	1.2
207.08089	1.4
208.16893	1.9
210.06744	1.4
210.18524	1.0
213.08998	1.1
216.07448	1.2
219.07930	1.3
221.05963	2.0
221.08037	1.4
222.06738	1.3
223.07541	1.9
226.17816	0.9
235.07558	2.2
236.20087	19.8
237.09047	1.5
239.06966	1.4
241.91333	1.1
243.08742	9.0
247.07472	0.9
249.09039	0.9
253.08594	3.1
254.18478	2.1
254.21138	39.0
263.07001	2.4
264.07755	1.1
265.08578	2.5
267.10043	1.9
272.22195	100.0
273.11392	2.1
277.08563	1.0
279.10004	1.3
280.07281	1.1
283.09637	2.0
285.07547	0.9
285.11121	3.3
295.09631	2.2
297.11197	1.5
298.11069	1.3
299.09290	1.1
307.09750	1.5
309.11057	1.6
313.10583	1.1
315.13086	4.5
327.12332	2.1
339.12289	3.3
345.13184	2.0
357.12231	5.3
375.12616	10.0
375.20215	2.2
375.28323	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	374.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29384	0.3
55.01854	0.5
57.03424	0.7
61.02911	1.1
61.99136	0.3
66.04729	0.3
69.03419	1.6
69.07086	0.4
70.06579	0.4
73.02913	0.5
79.05463	0.6
81.03413	1.0
84.04486	0.5
85.02905	7.3
86.09687	1.7
91.05470	0.7
94.04170	0.4
95.04950	0.4
97.02898	2.3
99.04445	0.6
107.04939	1.4
109.02868	0.8
117.66335	0.4
120.08057	0.3
122.03652	1.7
123.04427	1.2
124.07597	1.4
127.03857	1.8
128.52467	0.3
131.04953	0.4
137.05971	100.0
138.06320	0.6
139.15071	0.4
145.04988	2.0
147.04463	0.6
149.05951	0.5
153.01845	0.7
167.07060	1.0
177.05472	0.9
180.08716	0.6
195.10187	3.7
205.04938	0.6
212.12799	1.5
230.02458	0.4
243.08725	0.5
250.55150	0.4
328.86624	0.4
356.90128	0.4
374.12408	1.2
374.18787	0.9
375.13422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
53.83021	0.2
55.01867	0.8
57.03429	0.4
61.02920	0.3
68.99800	0.4
69.03432	2.2
71.04989	0.3
71.05642	0.5
71.05998	0.3
73.02917	0.6
81.03416	2.6
85.02905	3.6
87.00823	1.6
91.83298	0.2
97.02905	1.3
99.04457	0.8
105.01863	1.4
109.02874	2.4
117.01851	0.3
126.10390	0.2
127.03915	100.0
128.04260	0.7
129.01833	0.4
145.04964	1.0
153.01775	0.2
159.02925	1.7
182.36827	0.2
211.47269	0.2
214.50627	0.2
231.04951	0.3
375.08951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20511	0.3
53.03936	1.1
55.01870	0.8
56.96548	0.9
57.03424	0.8
60.95842	0.4
61.02909	0.5
69.03426	2.3
70.33891	0.5
70.34280	0.8
71.05000	0.5
73.02924	0.8
81.03413	2.7
85.02903	3.5
87.00827	1.7
90.54320	0.3
95.04975	0.5
96.68591	0.3
97.02898	1.7
98.21410	0.3
98.97585	0.4
99.04406	0.6
105.01852	1.0
107.04967	2.2
108.05295	0.3
109.02881	3.3
110.43004	0.3
112.75397	0.3
117.01917	0.4
119.01936	0.8
119.04929	0.3
119.48794	0.3
127.03915	100.0
127.52870	0.3
128.04240	1.1
132.98022	0.3
143.01924	0.3
144.99748	0.5
145.04976	0.8
153.01811	0.6
159.02863	0.7
172.95219	0.6
178.30482	0.3
190.96364	0.4
225.07079	0.4
225.83974	0.3
247.06615	0.5
303.39249	0.4
375.10452	0.5
396.09875	0.3
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	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05504	6.9
67.05496	19.7
69.03419	7.4
69.07049	5.8
70.91322	7.9
70.91656	4.5
71.04972	5.1
73.24767	3.4
79.05491	6.3
81.07056	20.3
83.04972	11.4
83.08609	5.3
85.02899	7.9
85.06544	4.6
93.07034	12.4
95.04980	6.0
95.08595	28.0
105.07032	8.1
107.08589	25.6
109.06509	5.5
109.10149	100.0
111.08105	3.7
119.08584	42.9
121.10141	14.2
123.08071	9.1
123.11693	7.8
133.10138	24.3
135.11688	94.6
137.09612	22.2
149.13248	8.9
151.11159	9.7
151.14838	8.9
163.03940	5.2
175.14816	48.4
193.15894	54.4
211.16920	46.5
340.07950	3.8
373.13574	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88230	0.4
56.38140	0.4
58.06592	1.8
62.66899	0.4
63.73230	0.4
69.03409	0.7
69.49854	3.2
76.07623	1.1
79.05472	0.4
84.08127	0.6
85.02883	0.6
95.04916	0.5
97.02870	0.5
98.97588	0.5
100.04632	0.4
100.60312	0.4
116.98573	0.6
122.48413	0.4
123.04415	0.4
129.10173	0.4
133.69678	0.4
137.05931	0.6
151.03886	0.5
153.01837	1.4
161.77832	0.4
163.03934	0.4
168.06595	0.4
168.47832	0.4
177.05518	0.6
182.51047	0.4
193.11960	1.5
195.13536	1.7
201.03680	2.0
201.05281	0.4
203.05260	6.6
210.07559	0.4
211.07903	0.8
214.95413	0.4
229.05003	1.5
237.02692	0.4
242.95673	0.5
257.04462	2.0
299.05322	1.2
373.18307	100.0
374.18573	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.128
Annotation	Quercetin pentamethyl ether
Peak:m/z	Relative Intensity
53.03923	4.2
55.01860	1.6
55.05502	1.5
56.96563	2.8
57.03416	1.8
60.94673	1.1
61.02897	2.3
65.03932	1.1
67.05488	4.9
68.02641	2.3
69.03421	2.2
69.62001	5.5
69.62408	2.3
69.62604	0.9
71.04984	1.8
74.95882	1.2
79.01833	3.0
79.05479	3.5
81.03410	3.2
81.07037	2.9
83.04967	5.7
85.02903	2.6
91.05477	5.3
93.07054	2.5
95.04958	8.4
95.08582	1.8
97.02879	2.6
98.21246	3.7
105.03382	100.0
105.07028	3.2
106.04171	3.0
107.04922	1.4
107.08575	2.2
109.06502	4.1
109.10143	3.3
111.04433	13.6
116.98579	1.3
117.06989	1.7
123.04427	1.1
123.08046	1.3
130.36034	1.2
133.02817	8.0
133.06436	1.4
135.08040	2.4
137.05966	23.3
139.03879	12.6
147.07959	1.3
151.03902	2.3
155.08543	1.5
161.05975	5.0
163.03925	1.9
163.07506	3.6
165.05475	45.3
165.06868	2.8
165.09143	3.8
166.07764	2.0
167.03394	3.7
167.08569	2.3
169.06496	1.3
171.07886	1.1
173.11639	1.3
174.37828	1.2
175.07547	3.6
179.07051	1.3
181.06529	1.1
181.08591	2.8
182.07265	2.5
183.08051	3.1
189.05511	1.5
190.06235	2.3
191.07008	29.6
193.04958	41.9
193.06708	2.7
193.08521	1.9
195.08195	1.4
197.09654	4.5
205.08589	22.2
206.09361	25.8
209.09691	1.2
211.07445	6.6
212.08310	1.7
213.09026	1.2
219.10164	9.0
221.05867	2.5
225.09193	6.3
226.09770	3.0
227.07014	3.7
228.07652	1.6
238.06247	3.4
239.07019	3.5
242.09375	4.5
243.10156	1.8
253.08589	7.9
254.09157	1.6
255.06534	2.9
257.11603	3.8
266.05588	1.7
267.06491	2.0
267.09808	1.8
269.10651	2.6
270.08835	3.1
271.09601	2.5
281.08096	12.1
283.05804	1.5
283.08942	1.6
285.11261	14.3
287.11694	2.6
299.09024	2.2
301.13324	3.0
313.10706	14.6
315.08780	2.8
327.12302	1.9
331.23431	1.9
341.10132	8.3
345.13318	16.1
355.11642	1.7
373.12799	74.5
373.17606	3.5
373.24387	2.8
374.13156	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01870	2.5
56.05024	2.9
56.96564	28.3
57.03416	2.0
59.05910	1.7
59.06128	18.5
60.04520	8.4
61.42064	1.8
65.03931	1.8
68.05019	2.3
69.03423	5.0
70.06580	4.9
71.01392	2.1
71.04983	2.7
71.59035	3.2
72.04527	2.6
73.02914	5.1
74.97625	3.9
75.05551	1.9
76.04012	2.0
79.01849	4.8
79.05486	5.2
81.03423	24.7
83.06084	9.4
84.04494	5.2
84.96033	3.0
85.02901	13.4
85.07657	6.2
86.03233	2.5
86.09715	2.1
87.05581	7.9
91.05489	5.7
93.07055	2.1
94.04178	2.1
95.04977	13.9
97.02892	5.0
97.96805	1.9
98.97563	9.2
99.05563	3.6
101.07155	7.8
103.05494	3.5
104.05779	1.7
105.07035	3.8
107.04952	100.0
107.07343	2.9
108.04617	2.0
108.05309	6.9
109.02878	17.8
110.01255	2.3
115.05470	2.2
115.19204	2.0
116.98639	10.6
117.06657	1.6
117.79180	1.7
118.06565	2.3
119.04935	4.1
120.08118	3.2
121.06501	2.4
123.04420	7.7
124.00957	2.6
124.03898	2.0
125.02357	7.9
125.07124	2.2
127.03912	8.6
128.04362	2.3
128.78781	1.8
128.98615	6.7
130.07303	2.4
131.04913	11.4
133.06512	3.8
134.05980	3.9
134.99667	9.3
135.04425	7.5
136.07545	2.6
143.03430	6.4
145.05003	2.2
146.05998	5.9
146.99605	9.3
147.04459	11.4
147.06685	2.2
147.07944	2.1
148.05072	2.0
148.07539	4.5
149.05945	9.9
150.99138	6.0
151.03894	2.5
152.07051	3.0
153.01834	55.5
153.02953	3.4
154.02174	3.1
158.06056	3.0
159.04294	2.8
161.05972	2.8
163.03954	8.5
164.06972	2.4
164.10696	23.1
165.11069	31.9
169.00200	4.0
170.99625	2.0
174.05486	2.3
176.06976	3.9
177.05484	5.2
179.02272	3.2
180.06627	2.1
182.08214	2.7
182.99490	15.1
183.03191	2.2
186.05409	2.8
188.09387	2.9
190.05029	2.5
191.03436	4.0
193.01578	10.9
194.99570	3.0
198.07666	3.9
201.00604	5.0
202.04958	3.2
204.06488	2.7
205.04956	3.2
207.02403	3.5
210.11214	16.4
211.02773	27.2
211.05911	2.4
211.11601	30.1
212.03172	2.1
213.97688	3.0
223.02823	1.9
228.06639	2.5
231.04156	5.6
237.02831	3.0
238.98418	3.1
240.04616	13.4
240.54901	3.0
241.03784	4.4
245.04956	4.0
247.04651	10.1
247.10622	2.1
254.05428	9.1
255.01729	5.2
255.98669	3.0
256.99619	2.6
269.03137	3.3
269.05783	3.2
272.07690	2.5
276.03909	23.7
276.54001	4.0
283.12912	3.0
285.04575	4.4
287.00775	3.3
290.13971	1.8
296.55124	3.1
310.08743	2.7
313.02264	7.7
314.08981	2.3
331.03406	2.2
337.10104	6.9
338.08707	2.3
346.11157	2.0
355.11356	18.6
373.11993	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01859	1.2
56.96559	1.9
57.03427	1.6
57.78819	0.4
58.62631	0.4
60.75910	0.4
61.02915	2.2
62.06089	0.6
69.03429	5.3
71.04982	0.5
71.22138	0.8
72.04484	1.0
73.02917	1.3
79.05484	1.0
81.03412	3.5
85.02901	15.2
87.04457	0.9
91.03941	0.7
91.05466	1.5
91.05888	0.6
91.55435	0.4
93.07056	0.4
95.04966	1.3
97.02887	5.6
98.97594	0.7
99.04424	1.3
103.05457	2.1
105.07015	5.2
107.04946	7.9
108.05297	0.4
109.02885	2.4
117.05740	1.0
117.07012	2.6
118.06520	1.6
118.98442	0.4
119.04916	0.4
119.07310	3.4
119.08566	0.8
120.08094	5.0
127.03927	3.4
127.87968	0.4
128.06223	0.5
128.98596	0.6
129.07007	3.7
130.06497	0.5
131.04907	2.5
131.07304	1.1
144.08112	0.7
145.04939	1.9
146.09641	5.1
146.99644	0.4
147.04388	0.8
149.05960	0.8
150.99104	0.6
151.54375	0.4
153.01797	1.8
164.10706	100.0
165.11049	1.6
182.99548	1.1
192.10181	1.3
193.01732	0.6
210.11240	85.5
211.02710	1.3
211.11504	1.2
231.04082	0.6
234.11143	0.6
269.03354	0.5
276.03821	1.7
285.04456	0.8
313.02286	0.6
336.14307	0.8
347.12729	0.4
372.09003	0.5
372.16589	3.8
373.11749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59317	2.1
53.31344	2.5
55.05496	4.8
55.05768	2.3
57.07056	11.1
60.04520	13.0
65.89950	2.7
67.05486	4.5
69.07056	10.7
69.94549	11.5
70.06595	3.3
71.08613	6.9
80.10087	2.6
81.07037	6.7
83.08623	5.1
85.10179	3.0
87.04469	3.8
88.76523	2.2
89.44542	2.3
95.08584	6.8
97.10156	3.0
98.21445	3.2
109.35399	2.4
131.33051	2.3
142.33408	2.7
268.29901	4.1
272.30530	3.4
282.64996	2.7
297.04245	2.7
330.29230	12.0
331.42224	2.5
372.30267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	29.0
56.96563	7.3
58.06594	14.9
67.05482	9.1
67.32885	5.4
68.01517	5.3
69.03439	11.3
69.07052	7.9
71.51914	8.6
75.32397	5.6
79.05484	17.6
80.06316	5.7
81.07051	27.6
83.04970	14.9
83.08603	18.3
85.02895	11.6
91.05466	10.6
93.07040	11.2
95.04985	10.8
95.08606	13.4
97.02909	6.4
97.36407	7.1
98.97569	8.3
100.11247	50.1
103.05458	9.3
103.31914	5.1
105.07011	11.0
107.04942	13.6
107.08586	26.8
109.10119	9.4
111.04475	10.4
116.98586	9.3
119.04947	12.5
121.06522	10.4
121.10139	21.0
123.04436	48.0
123.08047	9.3
125.09626	6.2
128.07112	9.7
129.07036	6.5
131.08528	8.4
133.10109	40.4
135.08028	11.8
137.05980	9.6
139.04005	7.1
143.11803	16.4
145.10120	8.9
147.04385	33.7
149.09648	8.1
149.13237	16.0
151.03918	64.0
151.11151	35.5
153.01852	13.3
161.06039	9.3
163.03859	8.2
165.05449	16.7
167.07053	22.3
173.13280	35.0
174.17386	6.0
175.03900	6.5
177.05495	9.1
179.03419	6.9
182.15402	19.4
189.09036	6.0
191.14262	43.5
209.07970	8.4
209.15208	31.8
210.14922	25.8
217.08670	10.8
219.08240	12.5
219.10129	51.0
225.15987	15.1
227.17441	7.1
237.02713	8.7
253.15517	11.1
289.71704	24.1
339.12296	25.7
341.13849	6.9
353.13681	11.3
361.01569	6.0
371.03268	7.8
371.07468	16.5
371.14688	100.0
372.14938	12.1
389.14520	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	371.2062
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03918	1.8
57.03435	1.3
61.02910	3.8
62.93510	1.2
63.66777	1.2
67.05490	1.8
69.03421	12.5
69.07062	2.1
71.60371	1.9
79.05488	1.8
81.03412	10.7
81.07050	5.6
83.04974	3.2
85.02422	2.2
85.02902	30.0
87.92367	1.1
90.47809	1.3
91.05457	2.9
91.80609	1.2
93.07042	2.6
95.04950	4.1
95.08580	5.2
97.02905	6.7
98.44847	1.3
105.07030	3.5
107.08598	7.4
109.02892	1.7
109.06513	5.0
109.10151	2.6
110.34985	1.2
119.04958	1.3
119.08557	4.5
121.10139	11.9
122.07212	1.5
123.04434	8.3
123.08078	6.0
123.11713	2.8
127.03909	4.2
133.10115	2.7
135.07980	1.4
137.09616	11.2
137.13205	1.3
145.04970	5.3
147.04408	5.1
147.11688	3.0
149.09621	9.1
149.13274	4.6
151.03868	9.0
151.11180	13.8
153.01736	1.4
165.05475	2.9
165.12746	44.0
166.13120	1.7
191.14267	14.4
207.06383	1.5
209.15359	100.0
210.15724	6.6
212.04199	1.4
219.10173	5.4
222.78220	1.3
371.15033	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	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
54.38290	1.2
55.01862	3.3
55.05500	2.2
57.03431	3.0
57.07067	2.3
67.05499	5.6
69.03423	3.2
69.07056	3.3
69.72271	8.6
71.01353	3.6
71.04983	4.3
73.02931	1.2
79.05487	4.1
81.03399	5.5
81.07037	6.9
83.04970	6.6
83.08629	1.5
85.02906	3.1
85.06515	6.6
85.65047	1.1
91.05446	6.3
91.58217	1.3
93.07050	10.6
95.04955	3.9
95.08617	11.7
97.02909	1.5
97.06583	1.3
99.04442	4.6
99.08105	1.5
102.03752	1.2
105.07026	8.0
107.04930	5.5
107.08590	15.5
109.02876	3.3
109.06521	3.0
109.10152	6.0
111.04448	2.9
111.08064	1.5
116.89988	1.1
117.07024	2.7
119.04913	1.2
119.08582	7.4
121.06499	9.4
121.10130	14.9
123.04429	6.2
123.08035	6.3
123.11735	1.6
127.03915	6.9
131.08551	7.9
133.06421	2.3
133.10126	12.0
135.04425	3.0
135.08040	8.8
135.11743	1.7
137.06018	2.0
137.09607	2.0
139.07503	1.4
139.11214	1.6
143.08572	2.4
144.09404	1.3
145.04961	17.9
145.06526	2.2
145.10115	4.4
147.11685	3.9
149.05989	8.7
149.09612	3.9
149.13284	4.0
151.11145	7.9
153.09207	1.4
157.10110	2.1
159.08089	1.8
159.11681	5.2
161.09618	5.4
163.07533	6.7
163.14832	3.0
166.61897	1.3
171.11740	2.4
173.13254	9.9
175.11174	3.6
177.09184	2.1
177.12769	5.7
179.10735	3.3
181.08600	3.1
187.11307	1.5
189.12730	1.3
191.10724	1.6
191.14258	13.3
193.08611	1.6
201.12782	3.8
203.05179	1.3
209.15369	5.3
211.14803	1.3
213.12711	1.8
215.14363	2.4
219.13795	29.0
231.13898	1.8
237.14844	33.5
241.12193	4.4
249.14931	1.5
255.27884	1.1
257.15341	1.5
259.13223	1.3
273.14987	1.4
275.16418	2.0
281.15466	1.5
287.16489	1.7
299.16599	2.8
305.17502	1.8
317.17566	4.1
335.18478	2.8
353.19534	6.1
371.16757	100.0
372.17230	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	371.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.9
55.01862	0.9
55.05493	1.1
57.03425	0.6
59.04995	0.5
60.97388	0.4
67.05493	1.6
69.03411	1.3
69.07059	1.1
70.84984	0.5
70.85311	1.1
71.01340	1.4
71.04978	1.3
79.05478	2.3
81.03411	1.9
81.07047	2.8
83.01334	0.7
83.04961	2.0
85.02892	1.8
85.06551	2.5
89.32677	0.5
91.05441	2.2
93.07035	3.6
95.04966	2.4
95.08595	3.4
97.02917	1.1
97.06510	0.9
99.04446	1.8
99.08050	0.6
103.05432	0.7
105.07027	3.3
107.04973	2.8
107.08589	6.2
109.02852	1.1
109.06525	1.2
109.10160	2.6
111.04443	1.2
111.08063	0.8
113.09661	0.7
115.05473	0.4
115.43012	0.4
117.07021	1.2
119.04962	0.7
119.08608	2.7
121.06542	2.9
121.10143	5.1
123.04417	2.8
123.08069	1.9
123.11735	0.9
125.06013	0.7
127.03907	2.6
129.06979	0.4
131.04918	0.6
131.08597	3.9
133.06473	0.9
133.10127	5.6
135.08060	3.4
135.11731	0.8
137.05951	1.6
139.07579	0.9
139.11145	0.5
143.08557	0.7
145.04939	7.2
145.06491	0.9
145.10130	1.3
147.04391	0.9
147.11682	1.6
149.05939	2.2
149.09587	2.0
149.13254	1.7
151.11185	2.6
155.08640	0.6
157.06572	0.5
157.10153	0.6
159.08080	1.3
159.11679	1.8
161.09625	2.0
161.13222	0.5
163.07545	2.4
163.11171	0.5
163.14827	1.4
167.07054	1.3
171.11697	1.0
173.09599	0.8
173.13243	2.9
175.07600	0.6
175.11217	1.5
177.05492	0.5
177.09084	0.7
177.12724	2.4
179.10666	1.2
181.08597	1.2
183.25764	0.4
185.09334	0.4
187.07544	0.9
187.11096	0.5
189.12796	0.7
191.14304	4.2
193.08577	0.5
197.17030	0.4
199.07581	0.4
201.12711	1.8
206.98380	0.6
209.11497	1.3
209.15416	1.6
215.14284	0.6
219.13785	7.5
233.15417	0.5
237.14821	9.6
241.12178	1.3
257.15210	0.5
269.15491	0.6
275.16446	0.6
281.15393	0.9
286.59753	0.4
287.16519	0.7
299.16382	1.5
317.17609	2.0
327.12045	0.6
335.18518	1.5
339.12332	1.5
353.19577	2.1
371.16757	100.0
372.17145	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	371.1491
Annotation	Spiraformin B
Peak:m/z	Relative Intensity
54.87780	0.6
55.01870	1.1
55.05494	0.7
55.18791	0.6
55.58078	0.6
66.60675	0.6
67.05481	0.7
68.99784	1.4
71.60584	1.0
74.96622	0.7
79.05484	1.6
81.07050	1.6
83.19899	0.6
85.02879	1.3
91.05479	2.7
93.07039	1.3
95.04978	1.0
103.05479	1.0
105.07055	0.7
107.04959	2.2
109.10218	0.7
117.07016	0.7
119.04930	2.3
121.02859	1.5
121.06513	1.3
121.10160	0.9
123.04411	6.0
128.06232	1.2
129.05411	0.6
129.06987	0.7
131.04898	2.1
133.06483	1.2
137.05968	2.8
137.76939	0.6
145.06445	0.9
147.04469	3.9
149.05951	1.4
151.03899	6.8
153.01852	2.2
153.06946	0.7
157.06544	0.8
159.08054	0.9
161.05995	0.8
163.03955	0.8
165.05466	2.1
165.06955	1.9
167.07037	2.2
175.07526	1.2
177.05421	2.1
177.06967	0.7
177.09105	0.9
178.07823	2.5
179.03386	1.3
179.08627	1.0
181.04982	0.7
181.06458	1.6
187.07570	1.3
189.07008	1.4
190.07703	1.2
191.08652	1.0
191.14302	1.5
194.07211	4.2
195.08058	2.1
197.06053	0.7
202.07776	0.8
203.08598	1.4
205.06483	2.7
206.07245	3.5
207.02876	0.8
207.08047	3.8
208.08760	1.3
209.05975	1.9
209.09660	1.0
210.06685	1.0
211.07474	1.1
215.08669	1.6
217.04997	1.7
217.08508	1.3
218.05400	0.7
218.07294	2.1
219.08046	2.2
219.10162	5.7
220.08861	0.9
221.05936	4.3
221.09557	1.5
222.06737	4.8
222.10291	0.9
223.07550	3.9
224.08353	2.8
225.09116	1.1
231.08057	1.1
232.08820	1.3
233.06090	0.8
233.09584	2.4
234.06845	3.7
234.10408	1.1
235.07536	6.1
236.08261	5.0
237.05432	2.9
237.09116	3.6
238.06335	0.9
239.07011	1.8
240.07805	1.0
247.07571	2.1
248.08244	1.0
249.05429	1.6
249.09114	14.9
249.11507	1.2
250.06287	3.1
250.09785	3.3
251.07036	4.8
252.07832	12.4
253.08510	3.8
260.08273	1.7
261.09058	2.9
263.07013	4.0
264.07800	6.6
265.05054	1.8
265.08588	20.6
265.11514	1.3
266.06207	1.1
266.09341	11.4
267.06686	0.9
267.10040	1.1
275.10666	0.8
277.08575	5.1
278.09247	4.3
279.06531	2.5
279.09738	1.2
280.07294	12.6
280.10428	0.7
281.08112	9.3
282.08734	0.9
287.05652	1.2
293.08194	3.2
293.11713	12.3
294.08746	1.6
295.09647	5.4
296.10373	12.4
297.11038	0.9
307.09454	1.0
309.11200	2.2
310.12091	1.5
311.12741	10.1
313.10562	1.4
321.11145	7.7
324.09930	1.4
325.10672	1.2
327.12091	0.8
339.12256	100.0
340.12741	8.4
345.05179	0.8
347.04465	1.2
353.13828	1.0
366.02200	0.8
371.07916	7.6
371.14874	37.8
372.15259	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.0
59.04993	2.9
67.05518	1.0
69.03418	1.6
69.07089	1.2
69.77023	6.4
78.04701	3.2
79.05489	8.9
81.07053	3.3
83.46736	1.0
85.02911	2.2
86.09692	1.2
91.05460	8.8
93.07033	2.2
94.68519	1.1
95.04969	3.2
95.08642	2.2
103.05466	4.1
105.03466	1.4
105.07026	7.2
105.17631	1.2
106.04152	2.5
107.04951	14.3
115.05477	4.5
117.06989	1.5
119.04939	3.0
119.08586	2.3
121.06490	1.6
123.04430	14.7
124.05225	4.9
125.05968	2.0
128.06212	4.2
129.07013	8.1
130.97287	1.0
131.04892	4.9
131.08591	1.6
132.05687	3.1
133.06511	5.2
135.04472	1.8
137.05992	4.8
139.03896	1.3
141.06998	1.4
145.06496	1.7
147.04427	6.6
147.08058	3.6
149.05986	2.0
151.03885	9.2
151.07672	1.2
152.04698	3.5
153.01834	3.2
153.05455	1.9
155.04890	1.4
156.05673	1.6
157.06535	1.8
159.08049	6.9
160.05222	3.2
161.05991	8.8
163.03970	2.2
165.05469	3.7
165.06844	1.5
166.00166	1.2
167.07039	100.0
168.07437	1.3
171.08064	1.8
172.05173	2.6
173.06036	1.9
175.07533	27.4
176.04663	1.6
177.05457	3.4
177.09082	2.1
178.07721	2.3
179.08542	1.0
184.05338	1.9
187.07532	18.2
187.09116	1.1
188.08122	1.5
189.07082	2.5
189.09140	2.9
190.07841	2.6
191.07045	7.8
191.08551	2.1
197.01213	1.6
199.07535	10.2
201.09082	1.2
202.07753	2.1
203.08548	3.8
205.06499	1.5
206.07300	2.1
207.08107	1.2
209.08118	2.4
215.08560	3.0
217.06612	1.6
217.08542	2.1
218.07272	3.6
219.08109	2.8
219.10184	7.6
220.08803	1.4
221.09654	3.9
223.07637	1.4
231.08109	2.4
233.09651	4.0
234.06796	3.3
235.07536	3.6
246.06839	2.1
247.07590	2.8
249.09149	7.3
250.09775	1.4
251.07076	2.6
259.07605	1.1
260.08453	2.1
261.09039	6.3
263.07053	3.0
264.07782	1.4
265.08664	2.1
266.09424	1.3
277.08514	6.3
278.09305	3.4
279.06595	1.0
279.10165	1.7
281.08966	1.5
281.11667	7.8
289.08560	4.6
290.09341	2.3
291.06305	1.3
291.10110	3.0
293.08475	1.4
293.11530	5.0
295.09628	1.5
303.08569	1.4
306.08835	2.4
307.09470	2.2
309.11282	9.3
311.09131	1.8
321.11139	9.8
322.11862	2.9
326.11414	1.7
327.12204	1.5
338.11145	1.4
339.12286	3.9
341.13751	7.0
353.13870	7.0
371.07373	5.4
371.14902	6.2
371.20285	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	371.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33242	2.5
53.03925	3.9
55.01861	4.5
56.96331	3.3
56.96568	44.2
57.03452	3.3
59.06126	15.4
60.04520	3.4
61.02902	2.8
63.42794	2.9
69.03418	12.1
70.06555	3.8
71.08350	5.3
72.06895	3.7
73.04726	6.0
74.02429	9.1
74.97588	5.4
79.05495	3.0
81.03414	7.3
83.04947	3.5
84.08145	3.6
85.02904	40.6
85.07625	3.1
91.05835	37.3
94.06007	5.3
94.06565	72.6
95.04969	4.5
97.02885	13.1
98.97588	15.7
99.00806	7.8
99.05547	4.2
104.05001	6.1
107.04939	12.0
108.04523	3.1
108.08107	6.8
108.32333	3.2
109.02881	7.8
116.98613	20.6
116.99372	2.4
116.99681	2.7
118.06554	31.0
120.04456	31.3
120.08095	4.6
123.04443	14.7
127.03935	5.8
129.79817	3.3
130.06522	3.4
132.04465	7.1
132.08109	6.8
134.99658	29.4
136.06148	3.7
136.06406	4.0
136.07578	58.0
137.05948	3.3
146.05988	53.7
146.99608	4.9
147.04463	3.8
147.06483	5.0
148.07536	4.0
150.05510	20.9
150.96935	4.6
150.99136	10.8
151.03867	6.1
153.00706	6.1
153.01781	23.0
158.05977	4.5
160.07567	4.7
162.05473	3.3
163.00697	9.2
163.03902	4.3
163.08624	8.0
164.07063	9.2
166.05025	3.8
169.00206	9.8
170.05998	4.1
174.05511	23.8
181.01697	14.4
182.99594	4.1
184.00475	9.7
184.07642	4.3
188.07063	6.3
190.04976	8.7
192.06544	100.0
193.00143	8.4
193.79732	2.9
196.07704	4.4
197.01234	9.2
199.02795	14.7
200.98599	3.6
202.01479	4.9
202.04892	3.6
209.01035	3.7
209.09212	94.9
217.03835	5.0
218.06532	4.3
225.00751	4.7
226.08543	4.4
227.02267	42.3
237.02820	4.5
245.03244	16.0
253.00211	18.4
265.06644	3.3
267.02109	3.7
268.97821	10.0
270.07623	12.2
271.01285	39.2
285.00925	10.0
287.10327	3.5
289.02362	8.9
298.12820	3.8
303.01907	4.1
311.00723	9.4
313.02490	5.1
318.09729	11.7
329.01755	11.7
335.12366	4.5
336.10617	3.5
347.02872	4.3
353.09821	5.5
353.13855	4.3
355.06976	8.1
371.10602	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	370.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01859	0.6
55.05499	0.6
56.96568	0.8
57.03431	0.8
58.06586	0.8
61.02929	0.7
65.03929	0.6
68.81116	0.5
69.03420	1.9
69.82812	2.3
72.04504	2.5
73.02906	0.5
79.05487	1.0
81.03414	0.8
85.02911	3.0
89.03905	2.2
91.05457	3.6
93.06989	0.4
97.02866	1.5
97.06508	0.7
100.07603	2.5
105.03387	1.4
105.07025	0.9
107.04942	2.5
119.04936	11.0
131.04836	0.7
135.04413	49.9
136.04807	1.3
137.05952	1.2
145.04918	0.6
147.04350	0.6
156.92882	0.5
167.07021	1.1
178.12170	0.8
187.07622	0.6
190.12314	0.6
192.07726	0.5
208.13316	100.0
209.13683	2.5
227.02267	0.5
241.93323	0.5
339.12314	0.6
342.06897	0.9
370.06232	2.0
371.16006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1331
Annotation	Isosophoronol
Peak:m/z	Relative Intensity
52.78005	0.9
55.01859	2.5
56.96556	1.2
63.93205	1.0
67.01884	0.9
67.05494	3.6
68.99786	3.1
69.03435	1.4
69.07082	1.0
69.73978	7.3
72.36533	0.9
74.16788	0.9
79.05483	1.5
79.72257	1.0
81.07060	1.9
81.77622	0.9
83.04974	2.2
91.05476	3.0
93.03419	1.7
93.07033	1.0
95.04960	3.0
95.08609	1.2
95.16297	1.2
97.02872	1.2
97.06540	2.4
98.20829	1.7
99.04430	1.3
103.05457	2.8
105.07021	3.8
111.00819	1.4
111.04419	3.8
116.98579	1.1
117.06990	2.3
119.08552	1.7
121.02868	1.4
123.04413	12.8
127.03907	1.7
128.06219	1.2
129.07021	1.6
131.04912	5.7
131.08536	1.5
133.06477	1.8
133.10139	2.3
135.04445	1.9
137.05988	4.4
139.03891	100.0
140.04185	1.6
141.06981	1.8
143.08563	1.4
145.06433	2.9
145.10092	2.0
147.04419	2.1
149.05972	8.9
151.03911	4.6
151.11163	1.0
153.01772	1.1
153.05484	3.0
153.06995	1.0
155.08461	2.3
157.06494	1.2
159.04327	1.0
159.08015	2.2
160.05191	3.8
161.05966	11.6
161.09648	2.8
163.03902	24.8
163.07576	1.8
163.11272	1.2
167.07057	2.9
169.06454	1.3
169.10147	1.1
171.08076	1.1
173.06007	5.7
173.09610	3.7
174.06776	1.4
175.03937	1.5
175.07544	3.8
177.05452	1.8
179.03401	11.6
179.08572	1.8
179.10678	1.1
181.04927	2.9
185.06015	1.2
186.06764	1.3
187.07568	3.3
189.05524	1.2
189.09099	9.6
190.83356	0.9
191.06998	1.7
191.10645	9.6
195.07896	1.4
197.05997	2.0
197.09631	2.5
198.06616	1.0
199.07568	2.5
201.05544	1.2
201.09100	13.8
203.07025	1.2
203.10576	1.9
205.04971	1.6
207.06544	2.3
210.06763	1.7
211.07538	1.9
213.05463	1.0
213.09140	3.3
214.06212	1.9
215.06851	1.1
215.10632	8.2
217.08670	1.3
219.10127	14.8
220.83173	1.1
221.05975	1.6
225.09081	6.2
229.04933	1.7
229.08546	1.6
231.10094	7.7
237.05583	1.1
239.06998	1.4
239.10741	1.0
241.08708	1.4
243.10143	7.6
276.07809	1.3
283.05988	1.7
285.07504	1.1
285.11160	1.3
295.05960	5.8
295.09113	1.0
297.07562	1.1
307.09671	1.5
308.06815	1.3
309.07614	5.4
309.10797	1.3
311.05542	1.3
313.07068	14.9
313.10602	2.1
319.09714	1.3
321.07657	1.7
322.08401	3.5
323.08939	2.2
325.10577	2.9
333.11224	1.5
337.10504	2.0
351.12247	15.0
369.13242	16.6
369.17963	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1333
Annotation	Glyasperin M
Peak:m/z	Relative Intensity
53.04879	0.8
55.01863	1.6
55.05507	1.0
56.49361	0.8
65.03931	1.0
67.05499	2.2
68.99783	4.0
69.03413	1.5
69.61688	1.9
69.62105	4.2
70.31662	0.7
79.28617	0.8
81.07041	1.4
82.36563	0.7
83.04977	1.8
91.05483	3.0
93.03381	0.9
93.07023	1.1
95.04951	2.2
97.02898	1.2
97.06523	3.0
98.21460	1.5
103.05463	1.3
105.07030	3.0
107.05006	1.0
107.08540	1.0
111.00809	1.6
111.04459	5.9
113.22875	0.9
115.05437	0.9
119.04922	1.6
123.04424	11.2
124.84274	0.9
125.40623	0.8
126.58393	0.9
127.03883	1.1
129.06995	1.8
131.04932	3.6
133.10120	1.1
135.04372	2.6
137.02269	1.0
137.05995	3.1
139.03897	100.0
140.04202	1.3
142.10101	0.8
145.06454	2.1
147.04396	4.1
147.08139	1.0
149.05980	7.0
151.03914	4.1
153.05469	1.7
153.07034	0.8
154.31308	0.9
155.08553	1.5
157.06454	1.6
159.08018	1.5
160.05214	3.4
161.05966	8.2
161.09618	0.9
163.03900	19.5
163.07591	1.2
165.05458	1.4
165.06894	1.1
167.03458	1.2
167.07051	2.8
169.06529	1.2
171.08038	1.6
173.05959	3.4
173.09648	2.2
174.06728	1.4
175.03847	1.8
175.07506	4.3
177.05478	2.6
177.09117	1.4
179.03415	9.6
179.08586	0.9
181.04968	1.4
181.06509	1.0
183.08040	1.4
185.06001	1.2
186.06847	1.6
187.07562	2.0
189.05418	1.5
189.09102	7.3
191.10670	7.9
193.06592	1.1
195.08119	2.1
197.05928	1.1
197.09706	2.2
199.07509	1.1
200.08388	1.4
201.05440	2.7
201.09096	9.2
203.10658	2.1
205.04832	1.1
205.08571	1.5
207.06567	1.4
211.07501	0.9
213.09131	3.1
214.06201	1.3
215.10658	7.4
216.14198	0.8
217.08551	3.8
219.10184	10.2
221.06047	1.0
221.50996	0.9
225.09085	3.5
229.05019	1.4
229.08441	1.3
231.10132	7.4
234.06749	1.1
243.06435	1.0
243.10165	8.0
249.05569	1.5
253.05142	1.1
266.05933	0.8
267.06549	2.6
267.10083	1.7
277.08496	1.0
279.06415	2.0
282.05045	0.9
283.05978	2.5
285.07547	1.6
295.06030	12.2
297.07541	1.5
308.06702	0.9
309.07611	3.8
311.05533	1.9
313.07080	20.5
313.10599	2.6
321.07712	1.3
322.08255	2.8
323.09097	1.6
325.10648	3.1
327.12241	2.2
337.10678	1.8
341.13705	1.3
351.12280	13.0
369.06360	1.4
369.13269	15.5
369.18124	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35336	2.8
55.01858	4.8
55.05487	6.7
57.03426	7.2
69.07047	10.5
71.60015	5.1
73.02930	3.6
79.05483	10.6
81.07015	4.6
83.05004	3.0
83.08617	6.2
85.02882	3.9
91.05447	6.2
93.06992	3.4
95.04957	2.8
95.26224	3.3
97.06522	100.0
98.09673	3.7
100.11246	21.4
103.05452	4.5
105.06982	3.5
107.04948	6.2
109.02848	3.8
109.10165	3.4
111.04465	4.5
119.04926	4.9
121.02861	9.8
123.04398	9.5
134.03654	2.9
135.04364	8.1
137.02303	9.9
137.05945	6.4
143.11736	3.8
147.04382	9.2
161.05896	5.3
163.03882	17.4
163.07550	19.6
175.03879	5.8
175.07542	4.7
179.88828	3.0
183.07799	3.4
183.45244	3.4
187.07515	2.9
189.09056	5.0
191.03342	15.1
192.04071	7.4
193.04947	21.0
197.05981	3.5
199.71407	2.8
205.08482	3.3
207.03040	3.1
207.06551	28.8
207.10014	14.3
214.13448	3.3
215.06947	5.2
217.08617	6.9
219.02736	3.3
219.10080	6.0
225.15997	7.4
233.08115	8.5
235.09650	31.3
244.70811	2.8
246.64948	5.8
259.09665	39.3
261.07455	4.3
261.11261	7.2
269.18878	3.4
279.08731	3.7
287.09070	10.3
289.10760	5.1
300.78525	3.1
305.10309	15.1
323.11224	4.4
327.04807	3.4
341.06442	17.8
351.11172	6.9
369.05975	40.2
369.13458	5.9
369.24319	4.8
369.28461	23.7
370.06061	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	368.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.9
55.06495	0.6
58.06594	14.7
69.03417	1.6
69.39442	0.6
70.06566	0.8
71.59514	1.0
76.07649	5.4
85.02907	2.3
86.09651	0.8
91.05463	1.1
95.96025	0.6
97.02862	0.7
97.06525	2.7
103.05457	16.9
105.07047	0.7
107.04931	0.9
131.04921	100.0
132.05247	2.3
139.79700	0.6
147.04398	1.2
148.04805	0.7
163.03911	0.9
163.07449	0.9
171.17458	0.6
175.07561	5.2
188.10677	1.9
193.04907	0.9
200.51059	0.7
206.11752	58.2
215.44804	0.6
235.09575	1.0
259.09723	0.9
302.88858	0.8
305.10352	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01870	50.5
55.05501	2.5
56.96560	3.2
57.03419	2.6
67.05488	1.5
68.38844	0.6
69.03437	1.8
69.07063	5.7
70.03670	1.6
70.04070	3.2
70.06575	0.9
71.04988	1.1
72.66546	0.8
73.02892	1.5
79.05488	3.8
81.03389	1.4
81.07035	1.0
83.01325	2.1
83.04985	4.9
83.08614	0.9
85.02901	6.0
87.04459	2.1
89.03912	11.2
91.05485	2.5
93.07065	1.2
95.04945	2.4
95.08589	1.3
97.02883	0.7
97.06522	1.8
97.96799	0.9
98.97566	3.1
99.04459	0.7
99.33989	0.7
101.02375	2.2
105.07024	2.0
107.04961	4.9
107.08593	1.0
109.02879	1.3
111.00805	6.5
111.11726	3.6
113.02345	4.3
115.03911	4.1
116.00911	0.8
116.98627	4.3
117.01833	3.4
117.03371	13.6
119.04907	1.0
119.08551	1.0
121.06507	1.0
123.04398	0.8
123.08060	1.3
127.03893	1.0
128.98604	2.0
129.01852	12.1
131.08539	1.2
132.99246	0.7
134.99640	3.0
135.04410	30.1
137.05945	1.3
139.03844	0.9
143.03391	25.9
145.01743	1.4
145.02831	17.5
145.10027	0.8
146.99652	2.3
147.04414	1.7
151.03899	0.7
153.01859	1.4
158.99632	1.2
159.08028	1.0
161.01172	0.9
161.04521	1.5
161.05966	2.0
163.03899	100.0
163.07555	2.3
164.04233	1.2
167.42340	0.8
170.99689	1.2
171.02881	11.5
171.57362	0.8
175.03975	1.2
175.07539	2.0
177.00710	1.3
177.05476	2.6
181.04956	3.1
187.07492	1.5
189.03929	3.0
193.12259	1.5
195.13799	1.9
199.07405	0.9
201.09116	1.8
203.07147	0.7
205.08635	0.8
207.03365	1.2
207.06543	1.2
207.13820	3.1
213.09126	1.5
215.07039	2.3
215.10602	0.7
217.08640	0.8
219.01674	1.0
221.11818	2.7
237.02727	3.7
239.12749	12.8
241.08517	1.3
243.06636	1.7
245.08058	1.0
261.07535	1.3
269.08212	1.1
271.09656	0.9
277.14462	5.0
279.08768	1.3
285.11063	1.0
287.09079	1.4
291.12296	1.7
303.12204	1.1
305.13831	1.3
309.06378	2.0
323.14954	5.6
327.07516	7.5
333.13504	1.8
351.07144	6.5
351.14368	7.2
369.08377	6.3
369.15442	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	368.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
56.96576	2.5
57.03451	0.7
61.02929	1.2
68.99821	0.3
69.03420	2.9
69.89187	0.3
71.04978	0.4
71.59069	0.5
72.93768	0.7
73.02901	0.6
74.06057	0.5
79.01832	0.3
79.05470	0.4
81.03416	1.2
83.04967	0.4
85.02896	6.6
87.04460	0.5
91.03886	0.3
91.05529	0.3
95.04966	0.7
97.02888	2.3
98.97608	0.4
107.04949	1.3
109.02885	1.0
123.04404	0.8
127.03920	1.3
131.97499	0.3
132.04439	7.8
145.04938	1.2
146.06017	0.9
147.04407	0.4
147.06354	0.3
149.05997	0.4
150.99089	0.4
153.01849	1.6
160.03963	0.7
162.05469	0.3
163.03906	0.4
178.04979	69.2
178.97780	0.4
179.05438	1.5
188.07019	0.6
189.07405	0.4
194.97394	0.6
196.98947	0.7
197.01176	0.6
206.04466	100.0
207.02951	0.6
207.04765	2.7
212.98363	0.6
215.02264	0.3
218.06180	0.7
224.98314	0.4
228.97787	0.4
240.05667	0.6
249.04311	0.4
254.99419	0.3
279.23190	0.3
332.09644	0.4
350.10785	0.4
368.05777	0.5
368.10727	0.7
369.11526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.0063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83775	5.3
55.01867	6.3
55.93525	11.7
56.96551	21.3
65.03936	5.4
65.80053	4.9
70.06565	5.9
70.95837	5.7
71.59126	7.4
72.93788	50.5
74.06067	13.9
81.03403	17.4
85.02903	12.0
90.94828	36.7
95.04967	11.2
97.02850	9.7
104.25134	5.2
105.03423	7.9
108.95873	16.5
113.96390	21.7
116.07057	7.3
116.98613	6.4
121.02871	8.7
123.04424	97.1
131.97435	21.9
134.99605	5.9
138.98473	6.4
140.96356	6.5
150.96925	5.4
150.98352	10.6
151.03902	5.4
153.01817	17.3
162.96924	11.5
166.08516	6.5
166.97902	13.1
170.97385	8.9
176.96362	9.9
178.04973	20.1
178.97894	36.9
182.97372	10.9
184.98955	19.4
194.97397	56.9
196.98978	42.2
197.01122	8.8
198.96782	8.3
199.97627	5.7
200.98459	19.4
206.04437	35.0
210.96953	33.6
211.97713	6.2
212.98427	100.0
213.98747	13.6
215.00032	83.8
215.02084	5.7
222.96858	5.8
224.98448	67.6
228.97955	38.9
231.01718	6.2
236.98430	12.8
237.02617	9.3
238.96341	11.0
240.15114	5.5
242.99590	22.3
252.98079	8.6
254.99457	19.2
264.98029	6.4
268.97421	22.0
282.98990	19.6
286.98206	12.2
287.01007	8.7
301.00061	11.4
306.00504	27.7
324.01801	31.6
326.97760	10.6
344.98828	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88865	2.4
53.03936	4.9
55.05505	19.6
57.07058	11.5
57.21395	2.9
59.04216	2.6
67.05506	50.9
69.03423	5.6
69.07073	24.5
69.86442	7.4
69.86858	8.4
71.04974	5.2
77.03905	4.1
78.07948	2.9
79.05491	40.0
81.07053	56.7
83.04980	6.6
83.08598	9.8
85.06552	3.7
91.05476	55.9
93.07041	80.5
95.04957	37.9
95.08600	63.6
97.06517	13.6
98.20765	3.4
103.05435	3.8
105.07027	98.2
107.08590	68.7
109.06493	13.2
109.10159	40.6
111.08074	4.9
115.05423	7.1
116.06240	4.7
117.07011	22.8
119.08579	100.0
121.06468	12.5
121.10127	47.3
123.08043	6.0
123.11700	17.3
123.12459	2.5
128.06195	9.6
129.07036	17.7
129.66376	3.3
130.07758	8.3
131.08577	59.3
133.09128	2.9
133.10126	65.7
135.08044	16.7
135.11676	25.5
137.09618	6.6
141.06978	9.8
142.07767	23.6
143.08559	47.9
144.09337	15.0
145.10118	70.7
146.07220	4.3
147.08012	11.5
147.11667	22.6
149.09615	18.1
149.13245	4.7
155.08546	14.3
156.09338	16.3
157.10123	61.4
158.10869	8.7
159.08055	4.8
159.11676	41.2
161.09616	37.7
161.13280	7.3
163.11148	6.2
167.08542	9.6
168.09370	4.8
169.10126	25.2
170.10837	4.6
171.07985	4.6
171.11691	26.9
173.09630	6.5
173.13240	32.3
175.11154	9.3
175.14830	19.4
177.12642	3.9
179.08531	11.0
180.09161	3.2
181.10124	7.6
183.11726	18.3
185.09592	4.5
185.13234	14.6
187.14789	18.3
189.12669	3.1
191.14259	4.2
193.10103	6.2
194.10887	9.6
195.11687	16.2
196.12523	2.9
197.13272	20.0
199.11118	4.1
199.14787	14.1
200.15648	3.7
201.12700	7.8
201.16338	4.8
206.71236	2.9
207.11720	3.8
209.13261	27.9
210.13879	3.9
211.14818	11.6
213.16467	4.0
221.13310	3.5
223.14760	3.5
225.16336	8.2
227.14313	16.5
235.14777	3.5
239.17950	11.6
241.19427	3.8
251.17987	5.2
253.19469	5.6
255.17471	8.1
257.19067	4.2
265.19525	6.3
267.17459	4.8
269.19116	6.0
293.19153	4.6
325.16391	4.0
349.25098	13.6
367.26471	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.0
53.86132	3.7
55.01868	28.8
55.05255	6.7
55.05510	74.3
56.96569	16.3
57.03436	37.6
61.02926	14.8
65.03953	7.0
67.05502	100.0
69.03419	14.2
69.07065	51.3
69.42508	34.3
71.04984	15.7
72.08152	12.5
73.02939	5.8
79.05490	95.9
79.90440	3.5
80.05836	6.0
81.03420	27.3
81.07056	97.3
83.04986	49.3
83.08617	51.9
85.02901	23.9
85.06551	8.4
91.03974	6.3
91.05470	57.0
93.07041	90.8
95.04971	80.3
95.08601	61.1
97.02912	9.5
97.06536	19.5
97.10158	24.1
98.65524	4.1
99.04444	33.9
99.08089	4.3
103.03971	3.9
105.07021	49.5
107.04949	24.3
107.08594	74.8
109.02859	4.8
109.06530	15.7
109.10173	31.9
111.04441	49.6
111.08096	12.6
117.07018	18.4
119.08595	46.8
121.06530	9.4
121.10152	48.8
123.04459	5.6
123.08084	17.3
123.11713	7.6
125.09634	22.3
127.03965	6.1
129.06998	14.8
131.04965	4.9
131.08548	37.0
133.10149	32.3
135.08055	12.1
135.11702	18.7
137.06020	7.1
137.09628	6.7
139.11192	9.1
143.08614	7.9
145.06499	8.2
145.10124	31.1
147.04401	6.2
147.08086	5.4
147.11702	23.4
149.09622	54.8
151.11203	4.9
155.08524	8.9
157.06491	4.5
157.10139	8.2
159.11708	12.6
161.09622	7.9
161.13274	6.9
163.11166	47.3
165.00647	4.1
165.12817	5.5
167.10721	4.1
169.10162	6.4
170.69093	3.8
171.08176	4.5
171.11659	9.4
173.09673	7.2
173.11829	5.4
175.11180	6.3
177.12761	7.9
181.10144	5.5
181.12244	10.1
183.08070	4.6
183.11681	7.6
187.11206	5.4
189.11220	13.8
189.87848	4.6
190.58551	4.3
193.12222	9.2
194.12477	5.4
197.13316	10.0
201.09190	5.6
205.12285	15.7
211.13304	11.9
217.07481	5.2
223.13272	64.4
229.07365	10.0
229.19560	5.7
239.17891	8.5
243.08908	10.2
247.08549	8.3
247.20558	5.7
257.19095	15.9
259.08585	5.2
261.09964	12.0
264.69489	3.9
267.09079	20.5
268.09409	6.9
269.10501	6.2
275.20053	91.7
285.10120	50.3
285.16931	6.0
286.10394	13.8
287.11423	8.6
293.21155	27.0
303.11227	8.1
304.65665	4.3
348.50983	4.0
349.21405	9.0
367.11758	14.4
367.22775	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.01873	11.4
55.05258	2.2
55.05505	28.8
56.96555	5.5
57.03183	1.5
57.03436	18.0
57.07047	1.9
57.11151	1.3
61.02908	4.1
61.03218	1.5
65.03931	4.3
67.05500	57.1
69.03428	8.1
69.07065	25.8
71.04966	6.3
73.02905	2.0
79.05486	48.4
79.07858	1.4
81.03407	4.9
81.07053	100.0
82.07362	2.3
83.05003	7.2
83.08613	15.7
85.02900	5.0
85.06546	3.3
91.03921	1.8
91.05474	37.5
93.07043	38.5
94.07372	1.6
95.04969	17.0
95.08606	32.1
97.02872	4.8
97.06538	15.8
97.10152	5.5
98.21531	2.6
99.04433	2.2
99.08067	2.8
100.11217	1.8
103.05453	2.3
105.07020	35.9
107.04955	8.0
107.08581	26.1
109.06508	11.9
109.10163	22.1
111.04476	1.9
111.08077	5.8
115.05441	1.8
117.07023	9.3
119.08569	29.5
119.09348	2.2
121.02834	6.9
121.06500	5.6
121.10124	16.0
123.08067	5.8
123.11684	10.1
125.09622	6.5
129.06979	5.8
131.08569	13.9
133.06458	2.1
133.10123	26.8
135.08023	4.5
135.11642	9.9
137.09584	4.7
141.06989	1.7
143.08525	4.2
145.06514	1.7
145.10101	12.9
147.08089	2.1
147.11681	20.3
149.09621	9.5
149.13260	6.9
151.11203	2.9
155.08553	2.6
157.10146	3.4
159.11684	10.3
161.09634	2.1
161.13228	3.7
163.11205	9.9
165.12738	6.4
169.10101	3.0
171.11726	3.0
173.09665	2.0
173.13223	3.8
175.11214	4.4
177.12727	3.3
183.11684	2.9
187.14853	1.7
189.11183	2.3
191.10632	1.9
193.12231	2.0
195.13785	4.9
211.13303	2.1
217.07452	2.2
229.19371	4.1
239.17982	2.4
243.08942	3.1
247.20540	5.6
255.09117	1.8
257.18948	6.2
259.08401	1.7
261.09985	3.8
263.19855	1.6
267.09122	4.9
269.10522	3.2
269.17371	3.7
273.10037	2.0
275.20062	39.9
285.10123	8.9
285.16867	2.7
286.10358	1.8
287.11575	4.0
293.21173	3.4
299.05585	9.5
300.05746	3.1
309.20593	1.7
325.06985	2.2
327.18353	1.5
331.15475	1.7
335.09164	1.9
349.24008	8.4
367.11710	20.2
367.17709	3.2
367.25238	21.3
368.12183	2.0
368.24445	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97941	2.9
53.03940	8.9
55.01642	4.1
55.01872	33.6
55.05261	5.9
55.05508	92.8
56.96556	6.2
57.03436	41.4
57.07065	3.1
59.04994	3.0
61.02920	5.2
65.03934	4.8
66.24214	2.8
67.05500	100.0
69.03426	11.8
69.07066	57.2
70.62922	9.8
71.04979	18.6
75.67229	3.1
79.05489	78.7
81.03405	15.0
81.07050	84.9
83.04981	54.5
83.08611	61.6
85.02910	18.7
85.06544	5.8
91.05471	54.4
93.07039	86.1
95.04964	88.5
95.08601	58.1
97.02883	7.7
97.06549	18.8
97.10152	26.6
99.04441	25.6
105.07030	43.7
107.04946	17.6
107.08592	82.3
109.06491	15.4
109.10150	29.4
111.04435	60.9
111.08082	18.5
117.07040	20.8
119.08581	41.8
121.06502	13.4
121.10135	50.1
123.08050	14.1
123.11660	4.4
125.05923	5.1
125.09645	21.2
128.06212	3.4
129.05499	4.0
129.06970	9.0
130.07773	3.8
131.08566	26.9
133.10138	29.7
135.08043	10.1
135.11697	25.0
137.09622	6.2
139.11171	9.1
141.07016	3.5
143.08536	6.8
144.54460	3.1
145.10104	31.9
147.08060	10.8
147.10495	3.6
147.11636	17.2
149.09615	51.1
153.09109	5.3
153.12703	7.6
155.08554	3.9
157.10110	6.0
159.11694	18.0
161.13246	5.9
163.11169	48.6
165.12796	3.9
171.11642	8.0
173.09616	6.9
173.11935	3.9
173.13264	6.9
175.11229	6.0
177.12799	4.3
181.12234	8.4
183.11797	4.6
187.11176	5.0
189.11212	14.9
191.10667	5.5
193.12221	6.2
197.09581	3.3
205.12267	11.9
211.13324	11.3
223.13275	84.6
239.17857	5.8
247.20686	4.9
257.18945	12.5
259.05310	3.2
259.08313	4.6
261.10144	3.8
263.07321	3.4
269.10651	4.9
269.76764	3.4
272.16138	3.8
275.20047	88.8
276.20383	4.1
285.10016	11.5
287.11893	3.7
293.21078	26.9
303.11185	4.4
305.04391	4.5
337.07169	7.9
349.23682	4.7
367.11765	44.3
367.25040	38.3
368.12006	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	367.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
54.67182	0.9
55.01863	7.9
55.05260	1.2
55.05511	17.0
55.06807	1.0
56.96553	2.7
57.03188	1.1
57.03438	13.1
57.07063	1.6
59.90228	1.0
61.02929	1.2
65.03935	2.5
67.05502	46.3
69.03425	2.9
69.07066	31.5
71.04975	4.3
71.08611	1.0
72.08126	1.1
73.02905	1.1
76.67301	1.0
77.03309	0.9
79.05489	33.6
81.03410	4.9
81.07054	100.0
83.04537	1.0
83.04969	6.5
83.08617	11.5
85.02861	2.5
85.06532	3.6
91.05471	26.4
93.07041	22.0
95.04961	9.3
95.08063	1.6
95.08613	26.8
97.02862	2.5
97.06528	11.0
97.10165	2.8
98.97579	1.3
99.08079	3.7
104.14654	1.0
105.07027	27.4
107.04932	6.4
107.08590	17.4
109.06532	10.3
109.10153	12.0
111.08089	5.3
113.05995	1.6
117.07007	5.4
119.08579	16.8
121.06483	3.9
121.10143	12.4
123.08074	6.6
123.11704	7.0
125.09602	2.9
127.07559	1.6
129.06993	2.9
131.08556	10.7
133.10112	13.5
135.08037	3.2
135.11679	7.2
137.09602	4.2
141.07001	1.6
143.08556	2.1
145.10117	8.7
147.07968	1.6
147.11690	21.1
149.09631	7.2
149.13284	7.0
151.11140	2.4
155.08548	1.1
157.10127	5.5
159.11679	6.8
161.09637	1.2
161.13290	3.7
163.11188	5.9
165.12776	5.7
167.14268	1.2
171.11647	2.0
173.13257	2.7
175.11162	3.9
175.14876	1.4
177.12744	3.1
179.14297	1.1
187.11203	1.2
187.14790	1.1
193.12212	2.2
195.13773	2.9
197.13254	1.4
205.15869	1.2
207.13829	1.3
229.19478	1.7
236.40630	1.0
239.18007	1.3
243.09016	1.7
247.20667	2.5
257.18985	4.1
267.09088	2.6
275.20074	28.6
285.10059	6.4
287.11646	1.3
293.21069	3.9
349.23798	5.0
367.11749	2.3
367.18188	1.3
367.24603	20.9
367.28336	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
53.39359	1.4
55.01856	5.6
55.05505	21.9
56.96576	2.3
57.03433	12.6
62.74300	1.6
65.03929	3.1
67.05502	52.4
69.03432	2.7
69.06712	2.7
69.07063	31.9
69.26730	3.3
69.27065	19.6
71.04983	3.8
72.08139	2.2
79.05056	2.9
79.05489	42.2
81.03405	4.5
81.07053	100.0
82.07376	2.5
83.04976	9.5
83.08621	15.2
85.06522	3.7
91.05479	28.7
93.07040	28.8
93.43069	1.7
95.04966	9.0
95.08044	2.4
95.08604	26.0
97.02834	2.1
97.06526	12.5
97.10145	2.1
99.08086	5.0
105.07035	30.3
107.04957	5.9
107.08590	18.6
109.06512	12.6
109.10162	13.0
111.08073	7.6
117.06999	8.0
119.08578	23.1
121.06528	4.4
121.10150	12.0
123.08046	6.4
123.11698	7.3
129.07034	2.9
131.08604	9.7
133.10127	12.6
135.08051	3.3
135.11725	8.0
137.09593	4.3
137.13293	2.3
141.07037	1.8
145.06418	2.0
145.10068	9.8
147.11678	22.8
149.09599	7.2
149.13214	7.0
151.11105	3.6
157.10109	4.7
159.11655	9.1
161.13239	3.3
163.11154	5.6
165.12743	7.0
173.13264	3.7
175.11197	2.9
177.12746	2.6
183.11702	2.1
195.13696	2.0
198.69461	2.0
207.13707	2.1
225.16295	1.8
239.18147	2.0
247.20573	4.0
257.18970	6.5
269.10623	2.5
275.20059	26.4
287.11411	2.3
293.21060	6.7
349.23770	6.0
367.24899	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.8
55.05509	0.8
56.96547	1.5
57.03420	1.6
61.02911	1.1
67.54626	0.8
69.03431	3.5
69.50180	0.7
71.04985	1.0
71.27596	1.1
71.27921	0.9
73.02912	1.0
78.93055	0.6
81.03407	1.4
85.02896	10.6
87.04436	1.0
91.05429	0.7
95.04995	1.0
97.02872	3.1
103.03950	1.3
107.04904	0.7
109.02876	1.0
113.06014	2.1
115.05432	1.8
116.98568	1.2
117.06996	1.4
118.06530	13.7
123.04396	1.1
127.03898	2.5
129.07002	1.3
130.06534	5.3
132.08090	7.6
142.06503	1.7
143.07350	4.3
143.08333	1.1
144.06982	1.4
144.08076	16.8
145.06468	0.8
145.07590	1.6
146.06004	47.6
147.04382	1.3
153.01825	1.1
154.06462	1.4
156.08095	10.6
158.09607	1.6
159.09171	3.6
160.07567	4.3
161.05933	1.8
163.03928	1.3
167.07214	1.0
168.08023	3.8
170.05991	5.9
172.07536	1.5
175.07489	0.9
178.04996	2.3
184.07622	3.6
186.09167	1.1
188.07056	100.0
189.07396	1.0
189.09047	1.3
196.07494	0.9
200.07039	1.2
201.10483	0.9
202.08635	3.6
203.05284	3.5
203.06897	1.0
205.09718	37.5
206.04437	3.5
210.09245	0.7
212.07053	1.1
213.05428	1.6
229.09770	2.2
230.05785	1.4
230.08093	28.1
243.06602	1.0
247.10780	10.1
257.08044	2.4
258.11307	2.2
276.12262	1.6
285.07498	4.2
303.08633	2.1
313.12009	0.9
314.10251	1.1
321.09689	1.4
331.12970	4.1
332.11356	6.4
349.14084	2.0
350.12317	14.9
367.10037	10.3
367.14932	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.4
55.05480	2.0
56.96565	27.3
57.03432	5.6
61.02921	3.8
69.03423	6.2
69.07050	2.1
71.26328	4.8
72.08143	2.5
73.02909	2.8
79.01856	4.2
79.05465	3.5
81.03417	6.6
82.48406	1.7
83.05000	2.2
83.06082	6.1
83.26122	1.8
84.04497	52.7
85.02874	6.3
91.05461	14.1
95.04944	2.0
96.04504	3.0
97.02888	4.2
98.06045	4.5
98.97578	2.4
103.03952	2.4
109.02863	3.7
109.10182	2.1
115.05455	1.8
116.98576	3.3
119.04935	31.9
123.04377	3.1
125.02359	2.4
125.07096	4.5
126.05515	67.7
127.03886	4.0
128.96803	1.9
128.98599	2.6
129.06996	4.9
130.06505	6.9
131.01801	2.5
131.04927	3.3
132.08086	3.7
138.05478	23.8
139.03955	3.0
143.03380	3.2
143.08485	3.1
144.06598	3.7
144.08061	9.8
146.06082	4.2
147.04401	100.0
148.91579	2.1
153.01811	45.4
153.02986	4.1
155.08540	2.8
156.08098	11.0
160.05177	3.3
160.07571	4.3
161.05965	5.6
163.03920	3.0
164.07066	10.8
168.06554	11.8
168.08086	5.2
170.06001	7.3
175.07544	5.3
177.02158	5.3
181.06372	2.8
182.05945	7.3
183.07988	3.2
184.07558	8.8
185.05968	3.2
186.07567	6.7
186.77191	1.9
187.02812	5.0
187.07567	4.5
188.07079	6.6
189.09120	3.8
192.07942	2.3
195.03288	6.1
195.08005	3.7
197.05984	3.2
199.07545	5.1
199.99986	3.7
201.09070	5.7
202.08644	5.2
203.07042	5.9
204.08675	22.5
211.07596	5.6
213.05643	10.9
213.09013	2.7
215.07103	4.5
217.08554	12.6
219.01863	2.2
221.01236	2.5
223.02400	2.7
228.07835	16.3
229.08638	8.1
229.41258	2.3
230.08076	9.8
231.10178	4.1
237.02823	6.4
239.02211	6.5
239.07132	2.6
241.08577	2.7
243.06561	5.8
245.08049	4.2
246.08727	3.7
247.10835	9.3
254.08084	2.2
256.04050	4.0
257.03448	3.6
257.08011	11.6
258.11148	4.3
259.09564	2.4
276.12299	2.8
277.10776	3.4
285.07629	28.4
303.08698	10.6
321.09723	3.2
332.11298	5.8
350.12329	3.6
359.06369	2.9
367.06152	3.1
367.10165	8.2
367.14944	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	367.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
60.68417	0.1
69.43053	0.1
69.94085	0.4
69.94509	0.2
82.99890	0.3
97.02877	0.4
101.00878	0.4
116.98620	0.1
119.01913	6.4
122.97816	0.1
128.27357	0.1
134.99788	0.4
137.02951	4.4
138.03056	0.2
140.98840	0.2
153.00906	0.6
158.99869	0.5
160.04585	0.1
164.98878	0.1
165.61137	0.1
165.99698	0.2
175.03047	0.3
177.00941	18.5
178.01041	1.1
179.00821	0.2
182.99744	0.6
184.00679	0.1
193.04057	0.4
195.02034	0.7
200.02583	0.3
201.00887	0.9
206.37679	0.1
217.04099	2.9
218.03952	0.2
219.01994	24.7
220.02080	1.3
221.02061	0.3
222.01878	0.1
225.00844	2.5
225.03044	0.1
227.99606	0.1
234.99937	0.4
236.00102	0.6
236.54337	0.1
236.99724	0.4
237.99527	0.1
242.03674	0.5
243.01945	4.6
244.02141	0.1
249.97960	0.1
253.01187	0.2
254.00995	0.2
255.00787	0.2
258.99878	0.6
260.00159	0.7
260.04645	0.3
261.03043	100.0
262.00201	0.1
262.03156	4.4
263.00058	0.1
263.03287	0.6
264.99057	0.2
266.03601	0.1
275.04547	0.4
277.00980	1.3
278.01086	1.3
279.00912	0.9
280.00940	0.4
281.00604	0.1
282.99905	0.7
284.00079	1.4
284.04636	3.4
284.99686	0.5
285.04733	0.2
289.06610	0.1
301.01041	2.1
301.06305	0.1
302.01147	4.0
303.00903	1.4
304.00961	0.2
305.00644	0.2
312.96701	0.2
317.00314	0.1
319.02011	0.4
320.02347	0.3
325.01315	0.3
325.07144	0.1
326.01099	0.3
342.01999	0.1
342.95200	0.2
343.02136	0.9
344.02225	1.8
345.01941	0.2
361.03351	0.2
362.03238	0.9
367.01959	0.9
371.37949	0.1
385.03149	4.3
386.03064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	55.5
65.88924	2.3
69.03412	3.2
69.73263	20.3
71.01347	2.8
73.02909	3.4
76.46935	3.0
81.03445	3.5
84.04491	5.1
84.96026	16.5
85.02912	4.1
89.51373	2.5
97.02836	4.4
98.97581	58.5
98.98460	4.7
110.97592	6.8
112.99197	3.4
116.98617	30.7
119.01918	6.7
121.01655	5.9
128.98581	7.3
131.00165	12.9
133.01718	4.3
134.99648	26.0
143.00162	10.7
144.00839	5.0
144.98062	4.6
146.99681	5.6
147.03204	9.2
149.01215	29.2
150.97014	3.0
157.03430	3.5
158.99638	6.0
159.03209	11.3
161.01227	13.8
162.01926	6.9
162.99107	6.0
167.02312	16.5
168.98041	22.3
170.99654	6.7
173.01219	8.5
175.04395	3.4
176.04710	3.3
177.00780	7.2
177.04248	23.4
179.02271	3.4
186.99150	100.0
187.02739	5.4
189.00726	11.6
189.04277	4.8
191.02293	18.1
201.00696	11.0
205.00208	48.7
205.03804	12.7
219.01767	61.4
225.00613	3.1
228.90939	5.4
230.94292	4.5
237.02797	25.5
238.40392	2.9
243.01825	14.8
246.92082	5.0
250.91911	6.7
253.00233	13.8
255.03928	4.5
261.02908	13.4
261.06360	10.2
262.90182	4.2
271.01300	28.2
276.93393	3.9
279.07544	9.7
289.02344	14.8
292.89670	3.2
294.94516	9.4
295.03363	6.2
301.97913	3.6
307.03354	54.2
312.95721	3.8
325.04382	14.6
325.07935	5.7
325.99643	7.9
332.03259	3.4
343.05338	6.0
343.92096	3.9
366.96136	3.9
367.05466	33.4
367.09485	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	366.0367
Annotation	Unknow
Peak:m/z	Relative Intensity
70.39263	0.6
82.47722	0.6
83.06107	0.6
97.02856	1.8
98.97575	0.6
107.36170	0.6
113.03453	0.7
116.98616	0.9
119.01918	7.8
134.99712	1.7
137.02940	4.5
153.00899	0.8
160.04584	0.7
165.83643	0.6
177.00948	20.3
178.01074	0.8
179.00688	2.0
183.06166	0.6
192.98918	0.7
195.02058	0.9
201.00974	0.8
201.07185	0.8
210.99922	1.0
216.74902	0.6
216.98880	0.8
217.04071	3.0
218.03568	0.9
219.02000	30.2
220.02110	2.2
221.01767	3.7
225.00995	1.5
231.02026	0.9
233.01736	1.6
234.99962	7.1
235.99995	1.7
236.99728	1.4
240.98857	1.3
242.03571	1.8
243.01968	5.5
253.01030	4.4
254.01147	1.1
255.00850	1.3
258.99979	10.3
260.00058	2.7
260.04657	1.6
261.00027	5.2
261.03036	100.0
261.99973	1.0
262.03183	2.0
263.02890	3.0
264.98947	1.3
275.02707	0.8
277.01035	22.3
278.01071	4.7
279.00894	10.7
280.01013	1.3
282.99966	21.7
283.06281	1.7
283.99951	3.0
284.04584	2.3
284.99838	1.8
285.99927	1.2
291.99615	1.1
301.01025	63.8
302.01056	7.5
303.00888	5.2
304.00961	3.0
315.01086	1.0
319.02167	5.4
320.02267	0.8
324.01077	2.5
324.08798	1.8
325.00775	3.0
341.02216	0.9
341.95416	1.3
342.01913	14.3
343.02084	26.8
343.08234	1.3
344.02191	1.7
357.01761	1.1
360.03485	1.1
361.03162	9.7
366.02609	2.4
384.03238	7.4
385.03268	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	365.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94692	0.6
53.15512	0.6
56.96566	3.2
69.03408	1.0
69.51405	2.4
69.51819	2.5
81.03407	1.9
82.92932	0.7
85.02893	1.7
98.97577	2.2
101.00852	1.0
107.04967	3.1
109.02884	1.2
116.98634	1.6
119.01920	3.4
120.85435	0.6
123.04435	0.9
128.98604	1.1
131.01938	1.1
134.02301	0.7
141.25615	0.6
143.01883	1.1
145.03461	2.0
146.99721	1.1
155.01921	1.2
157.03455	1.7
161.02974	2.2
173.02989	2.4
185.02975	1.7
185.04242	22.0
188.97037	1.1
189.00644	0.7
195.05104	0.9
197.02945	1.2
203.05275	50.1
206.98105	1.4
207.01793	0.9
230.98119	1.3
234.67798	0.7
235.01306	0.6
235.06650	1.2
245.05058	3.4
253.07841	1.4
263.00699	1.3
289.07568	1.1
351.07379	1.3
365.10550	100.0
366.10971	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.5
55.01855	8.8
55.05511	29.7
55.21983	3.4
57.03421	12.0
57.07077	4.8
59.04987	8.1
65.03935	4.9
67.05504	61.7
69.03413	18.7
69.07063	37.1
71.04990	4.2
79.05489	46.4
81.03406	5.6
81.07048	60.5
83.04974	8.4
83.08605	13.6
85.06562	5.2
91.05476	60.9
93.07037	48.6
94.46880	3.6
95.04973	36.6
95.08593	36.6
97.02865	9.4
97.06528	14.8
97.10144	6.4
105.07030	58.6
107.04943	6.6
107.08588	39.7
107.83962	3.9
109.06530	12.2
109.10155	30.7
111.04459	3.8
111.08092	5.2
113.06010	9.4
115.05424	6.9
117.07021	17.9
119.08578	45.4
121.06517	9.5
121.10152	34.0
123.08067	11.1
123.11698	4.7
125.09641	6.0
128.06256	8.2
129.07011	12.3
130.87541	4.0
131.08545	35.1
133.10120	38.1
135.08009	15.0
135.11690	10.0
136.63576	3.7
137.09604	5.6
137.65599	4.0
141.06990	8.2
142.07794	10.8
143.08553	22.5
144.09297	4.8
145.10132	31.8
147.08044	8.0
147.11688	12.7
149.09598	8.9
151.11186	14.9
155.08517	13.7
156.09323	11.2
157.10098	31.4
158.10875	5.8
159.08073	5.3
159.11642	21.5
161.09630	11.4
161.13319	4.4
163.11174	4.7
167.08571	9.9
168.09352	7.0
169.10120	18.5
170.10931	6.4
171.11723	17.3
173.09616	8.6
173.13251	30.9
175.11162	9.0
179.08592	9.2
181.10039	10.2
182.10905	5.4
183.11697	23.0
185.13289	7.2
189.12746	5.4
191.14330	19.9
193.10123	12.4
194.10892	5.4
195.11716	11.5
196.12399	4.9
197.13281	11.3
199.11067	4.9
199.14908	5.7
201.12753	9.3
203.05298	6.2
207.11671	14.1
208.12448	4.9
209.13272	14.9
211.14964	8.0
219.11749	8.2
221.13243	15.0
223.14986	8.9
225.12891	6.5
233.13243	8.0
234.14113	7.3
235.14825	5.1
237.16364	5.9
238.13853	4.0
245.19029	5.4
247.14816	6.6
248.15620	5.4
249.16467	8.2
251.17950	6.7
255.17343	5.3
263.17935	9.0
265.15866	6.5
267.17361	8.6
273.18573	17.1
281.19025	7.0
291.19684	51.8
329.22623	4.5
347.23679	28.6
365.10495	10.6
365.24722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38320	0.8
55.46883	0.7
56.96554	6.4
58.28959	0.9
62.45893	0.8
63.12112	0.8
67.68278	0.7
69.03418	1.8
71.51079	1.7
76.89677	0.8
85.02898	2.1
89.70119	0.9
93.63928	0.9
97.02892	1.9
98.97579	2.9
104.35841	0.9
108.02813	0.9
116.98658	2.7
122.47356	0.9
122.93211	0.9
128.98663	1.9
134.99686	1.6
146.89661	0.7
146.99677	3.1
153.01817	3.5
161.01231	1.5
163.03931	2.1
170.05887	1.1
185.04213	61.1
195.03307	1.0
203.03186	13.9
203.05154	2.2
213.04390	1.7
219.01837	1.9
221.02934	1.2
237.02834	4.4
239.02252	1.3
257.03323	2.8
344.72818	0.9
347.12494	1.0
365.08502	100.0
366.08997	1.4
383.07309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	1.1
60.04533	0.7
66.31375	0.5
69.82226	3.5
79.05488	0.8
81.07061	0.5
84.08155	0.6
85.02910	1.1
91.05492	0.7
93.07027	0.8
96.01858	0.6
97.06493	0.6
98.21474	0.9
133.08167	0.5
137.05986	1.4
145.14247	0.6
151.67056	0.7
153.01854	1.1
171.00586	1.4
185.04216	6.5
203.03152	100.0
204.03578	1.7
221.04161	0.8
245.09209	1.3
274.61090	0.6
305.11407	1.9
365.08383	26.4
365.13400	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48690	0.4
65.62247	0.5
70.20811	0.9
70.76893	0.4
81.23756	0.4
178.53270	0.4
185.04213	22.5
191.79669	0.5
203.05258	46.9
221.06352	0.6
324.88400	0.5
365.10526	100.0
366.10904	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60025	2.5
97.02909	0.6
97.67815	0.4
101.00882	2.3
110.01392	0.5
113.00837	0.4
119.01918	7.2
131.01900	5.5
131.02814	0.7
131.52036	0.5
137.01904	1.7
137.02946	1.2
143.01891	4.0
143.51933	0.5
145.03444	2.2
152.02473	1.1
155.01839	2.3
157.03493	1.5
158.02469	0.5
161.02966	5.2
163.04623	0.4
167.01889	0.7
169.03485	0.5
173.02934	6.6
173.53084	0.6
175.04492	0.6
185.02904	5.0
185.04250	23.1
187.04543	0.9
193.53752	0.8
197.02937	3.1
203.05292	49.4
204.05582	0.7
215.04042	1.9
227.04073	1.4
244.96581	0.5
245.05066	16.4
257.05157	1.0
263.06143	3.2
275.06210	0.9
293.07220	0.9
351.05905	0.7
365.10583	100.0
366.10928	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35822	1.1
56.96561	60.3
68.14259	1.2
69.51079	3.1
69.51479	7.6
70.52224	1.1
71.78884	1.3
74.97612	1.6
84.96027	8.0
85.02901	1.6
94.34947	1.1
97.02831	1.7
98.20741	2.2
98.97578	33.3
102.97050	1.7
107.04935	1.4
110.97549	10.5
112.99096	1.6
116.97818	1.9
116.98611	26.2
120.87344	1.1
120.98081	1.4
128.98599	22.1
131.00174	1.6
134.47583	1.1
134.99654	17.0
137.05899	1.5
140.98586	1.3
143.00125	5.6
144.98090	1.3
145.01662	1.4
146.99644	20.0
149.01225	3.3
153.00732	2.7
153.01813	7.4
154.02147	3.3
155.02267	4.1
158.99603	5.3
161.01218	14.4
162.99153	1.8
165.00699	4.4
169.01656	1.4
170.99615	3.7
173.01259	1.6
177.00694	7.8
179.02226	5.6
185.04131	1.5
187.02663	1.3
189.00594	6.1
191.00139	1.7
195.01701	2.5
195.03275	6.1
201.00687	2.4
203.05211	2.4
207.01680	1.4
209.01186	4.6
211.02733	2.0
213.04311	25.1
217.01297	3.0
219.01691	13.5
221.01208	4.7
229.72758	1.4
231.05363	4.4
237.02806	38.2
239.02261	33.0
240.02672	1.6
247.02744	1.4
249.03772	2.9
255.03857	4.1
257.03326	28.0
260.04358	1.4
263.02335	2.9
274.00906	2.3
281.03000	2.9
289.03403	1.7
291.05542	1.2
300.99557	3.5
305.03262	3.1
307.04871	1.6
317.03317	3.5
323.04346	2.0
333.02460	2.8
335.04178	1.5
365.05411	100.0
365.09995	4.1
366.05771	4.4
383.06439	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	364.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40030	3.1
53.90760	3.3
55.01876	3.7
56.96562	8.9
69.03436	5.2
70.36571	10.3
70.81272	4.8
73.02917	3.8
74.74844	3.5
79.01835	3.8
85.02919	8.2
97.02910	7.6
98.06045	6.0
98.21416	4.3
98.97588	9.2
100.95921	3.7
107.04967	9.3
111.04436	5.4
116.98642	6.3
127.03968	3.9
129.07716	4.0
134.99646	4.9
136.06184	6.0
139.03896	100.0
139.04889	6.8
140.71558	3.5
144.68149	3.5
146.19092	4.0
146.99644	4.4
153.01785	17.3
167.03401	42.6
168.03831	4.5
174.04362	4.4
185.04388	68.3
202.01611	4.3
202.07141	6.9
203.05226	43.0
204.05421	8.5
251.60388	4.1
253.04836	4.5
262.05267	5.4
300.13947	3.7
328.92447	3.8
364.13031	32.9
365.10602	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	365.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	54.7
69.03404	1.9
69.51051	10.2
84.96040	10.0
85.02891	3.0
86.09641	1.5
87.77761	1.5
97.02903	1.6
98.97581	33.8
100.03979	1.6
110.97598	9.0
116.98608	28.9
128.98596	18.0
131.00218	2.3
134.99660	14.1
143.00116	2.2
146.05946	1.5
146.99651	23.8
147.04372	1.6
149.01186	3.8
153.00679	1.5
153.01807	4.0
158.99651	4.1
161.01178	11.8
162.99141	2.9
165.00690	3.3
170.99629	3.8
177.00690	5.7
179.02245	3.7
187.02721	3.1
189.00682	4.9
193.01915	1.8
195.03293	6.1
201.00716	4.2
203.05275	2.7
209.01189	3.2
211.02786	1.7
213.04370	19.0
219.01723	12.0
221.01199	3.0
231.05237	2.5
237.02802	36.5
239.02254	39.8
255.03918	4.5
257.03336	29.6
263.02267	2.7
265.03891	1.6
273.07605	2.0
275.01968	1.8
275.04709	2.4
275.09036	1.6
281.03409	3.8
305.03314	3.8
307.04926	2.0
307.36728	1.6
317.03348	3.5
323.04120	2.0
325.05719	1.7
335.04288	1.7
353.17914	1.9
365.05389	100.0
365.12393	3.8
366.05392	2.7
383.06445	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	31.7
56.96558	18.3
57.03413	13.8
57.32692	10.5
58.06598	15.5
66.96674	10.4
67.05486	19.2
67.66032	10.2
67.99704	12.5
69.03422	18.5
69.07064	25.3
69.46748	9.8
69.47061	100.0
69.83652	11.2
76.07623	21.0
79.05493	23.5
81.07054	70.6
83.08629	11.3
85.02901	15.2
91.05469	43.7
93.07038	20.2
95.04936	10.7
95.08609	42.6
98.21532	22.0
103.05414	13.3
105.07032	33.1
107.04930	17.0
107.08590	21.4
109.10160	32.5
116.98569	15.3
119.04900	24.5
119.08525	13.7
121.10143	18.7
123.04408	17.5
123.11678	16.9
131.08601	16.0
135.11694	10.5
142.94943	11.4
147.04398	78.4
149.13176	9.8
153.01788	39.9
159.11757	13.8
187.07582	14.0
272.64734	14.5
276.82019	12.3
283.08557	14.5
357.77148	12.2
363.21573	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	363.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96536	0.9
57.03432	0.4
69.03405	0.6
69.82584	3.0
71.27000	0.4
85.02891	1.1
93.78018	0.4
97.02879	0.5
98.97575	3.4
112.07603	0.5
116.98617	2.5
119.01830	0.5
128.98604	0.7
134.98587	0.4
134.99611	2.2
136.00932	0.4
139.03844	0.7
153.01833	2.1
158.99631	1.5
177.00697	3.9
181.37593	0.4
183.65073	0.4
209.07851	0.5
209.54202	0.5
219.01741	1.7
237.02960	0.9
245.05034	0.7
273.07825	0.8
321.08627	0.6
363.12598	100.0
364.12772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55245	1.8
56.96559	3.0
67.05476	2.7
68.51094	2.0
70.65976	3.6
79.05455	2.6
81.03395	5.5
81.07065	4.1
84.04458	2.4
85.02869	2.1
91.05518	1.9
98.97578	2.0
104.73607	2.3
105.07024	2.4
107.53085	2.1
109.62239	2.0
113.62186	1.8
117.24570	2.6
121.85131	2.2
136.04242	2.2
137.02350	3.8
148.74701	2.3
149.04845	3.0
153.01805	9.9
160.32942	2.0
166.47820	1.9
176.10791	1.9
178.36354	1.9
184.68338	2.0
272.07813	2.1
299.11075	2.4
363.14050	100.0
364.14536	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	363.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34347	32.6
70.34747	28.2
72.87439	13.2
115.31957	11.6
212.85240	29.3
250.92053	32.7
256.88974	17.0
264.93655	20.7
271.24194	14.7
291.01358	80.4
302.89066	17.3
303.04031	14.4
304.55536	12.6
335.04147	15.3
363.02850	82.8
363.07510	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	363.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.2
51.02359	0.3
53.00089	0.1
53.00314	0.1
55.01872	0.2
58.91872	0.1
60.04531	0.1
67.81906	0.1
68.99786	0.1
69.03433	0.2
71.11155	0.1
73.02905	0.2
79.01850	4.9
85.02914	0.1
87.00845	0.1
91.05478	0.1
95.04955	0.3
97.02896	0.9
98.97585	0.1
103.05447	0.1
107.01314	1.1
107.04959	0.6
119.04942	0.6
121.06543	0.1
123.00804	0.2
125.02342	3.6
126.02647	0.1
127.03841	0.1
127.48123	0.1
139.03941	0.1
143.03394	8.1
144.03712	0.1
147.04395	1.3
149.05983	0.5
153.01820	100.0
153.02783	3.6
154.02153	1.7
154.03424	0.1
193.04939	0.1
216.26619	0.1
238.88335	0.1
247.06012	4.5
248.06273	0.2
258.04681	0.1
299.05536	0.1
317.06369	0.2
319.08115	0.4
380.15903	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	361.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01854	3.1
55.05503	2.8
56.25041	2.0
56.96561	2.2
62.01422	1.7
62.36921	2.2
65.03902	2.6
65.05830	2.1
69.07053	4.3
70.05161	9.5
76.31665	2.1
79.05486	17.3
81.03388	2.4
81.07035	6.7
83.08585	2.5
85.02908	2.5
87.41366	1.9
91.05463	25.4
93.07043	13.7
95.04948	11.7
95.08609	4.2
103.05465	14.0
105.07016	18.7
107.04954	33.8
107.08608	4.8
109.06500	4.3
110.03632	2.7
111.04414	3.8
115.05413	4.2
117.06995	6.9
119.04890	6.8
119.08557	5.5
121.06505	20.8
123.04415	10.9
124.05196	7.1
125.05972	5.2
128.06203	9.9
129.07002	31.4
131.04897	9.8
131.08577	11.2
133.02837	3.2
133.06458	4.1
135.04416	5.2
135.08041	7.8
136.05182	2.6
137.05968	25.1
139.07529	2.2
141.07018	2.5
144.05696	2.7
145.06474	7.0
146.07248	3.7
147.04390	9.6
147.08034	5.1
148.05168	4.6
149.05945	8.0
150.06746	2.9
151.03876	8.0
151.07530	20.6
152.04570	2.4
152.06264	3.0
153.01891	3.5
153.05437	17.2
153.06680	3.1
157.06465	22.1
158.07211	2.2
159.08084	3.9
161.05974	38.1
161.09612	8.8
163.07536	21.7
165.05571	3.2
165.06987	8.6
165.09103	10.1
166.06245	12.0
166.07674	3.0
167.07056	73.2
167.08560	5.1
168.07362	1.9
174.06760	11.8
175.07527	9.4
177.09087	8.9
178.07886	2.5
179.07074	3.6
179.08554	6.6
181.05046	3.5
181.06535	4.9
181.08592	100.0
182.07272	7.8
182.08803	2.2
183.07988	3.0
189.07359	3.7
189.09096	77.0
190.07863	2.2
190.09462	3.2
191.08516	4.6
191.10548	2.7
193.06633	3.0
193.08528	2.7
194.07233	5.3
195.08009	11.9
197.05890	2.3
197.09637	12.5
199.07680	2.8
207.08011	6.5
207.10162	12.1
208.08888	5.4
209.06017	3.8
209.09630	2.6
210.06747	5.7
211.07484	4.7
219.08078	4.3
221.05972	5.8
222.06702	5.4
223.07552	10.5
223.11232	4.7
225.05452	2.9
225.09045	18.5
226.09714	2.1
227.06987	6.2
229.12224	3.3
235.07367	3.4
236.08331	3.7
237.09048	6.2
239.06984	7.4
239.10645	4.8
240.07722	4.2
241.08574	4.5
247.07581	3.3
251.07011	6.0
251.10594	5.5
253.08604	14.7
254.09288	3.7
255.06454	4.5
255.10051	5.2
256.22775	4.3
257.11716	21.0
257.23038	5.9
258.23355	13.3
265.08786	3.7
267.09982	3.2
268.07190	3.3
269.07928	3.2
270.08762	3.8
271.13205	2.7
279.10080	6.5
283.09619	14.0
283.13171	8.6
285.11133	33.4
286.11975	2.3
296.10291	2.8
297.11258	4.0
299.09286	5.0
299.12570	4.2
302.11420	5.6
303.05182	3.3
311.12598	9.3
315.12210	19.2
317.13828	20.2
329.13992	2.8
331.15408	4.2
343.15442	13.2
361.16595	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	361.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02145	1.7
53.03941	3.8
53.37085	2.2
55.01855	3.1
55.89285	1.6
57.03428	2.5
61.16634	1.9
66.58721	1.9
67.05486	3.1
69.03424	2.9
69.07045	2.1
69.35354	16.5
69.35758	2.9
69.78117	1.8
77.03903	2.4
78.04694	2.0
79.05495	17.8
81.07050	3.7
85.02833	2.2
86.09702	2.2
91.05469	33.0
91.74306	1.8
93.07031	12.2
95.04956	13.2
98.05403	1.9
98.20741	3.3
100.17793	1.7
103.05434	14.5
105.07026	14.2
107.04205	2.1
107.04948	40.0
107.08599	3.5
109.02857	2.2
109.06492	2.7
111.04451	2.1
115.05440	5.4
117.06998	7.2
118.04169	3.0
119.04920	9.7
119.08596	3.4
120.05695	4.0
121.06517	22.3
121.10103	2.2
123.04399	7.6
124.05173	6.4
125.05975	4.0
125.06960	1.9
128.06227	12.4
129.07005	30.2
131.04906	18.5
131.08536	15.5
133.02852	4.5
133.06467	7.2
135.04370	4.4
135.08038	9.7
136.05177	2.9
137.05965	31.8
139.07501	2.5
140.04758	2.2
141.06946	2.5
145.06465	9.3
146.07231	4.1
147.04378	10.7
147.08040	2.8
148.05177	4.7
149.05966	8.5
151.03906	5.3
151.07555	29.0
152.04645	4.0
153.01764	3.6
153.05429	14.5
153.06941	3.4
155.07024	2.6
157.06473	22.7
159.08040	5.3
160.05180	2.6
161.05971	60.9
161.09604	17.4
163.07523	31.3
165.05566	4.4
165.06972	13.0
165.09073	11.3
166.06290	14.1
166.07613	3.6
167.07050	72.6
167.08554	7.5
169.06422	3.0
171.07982	2.8
173.06004	3.5
174.06775	14.6
175.07513	8.7
177.05397	2.0
177.06938	3.5
177.09026	11.8
178.07780	3.3
179.07004	6.5
179.08501	5.4
180.07805	2.6
181.06593	6.3
181.08575	100.0
181.10184	4.8
182.07257	8.6
183.08034	4.7
187.07455	2.2
189.09085	92.0
190.07738	2.1
191.06964	3.6
191.08585	6.5
191.10565	2.5
193.06406	5.5
193.08679	3.2
194.07225	6.7
195.08014	15.3
196.08611	2.4
197.05980	6.1
197.09579	11.9
199.07497	4.4
205.06519	4.0
207.08041	6.3
207.10152	20.2
208.08842	5.9
209.06100	2.2
210.06729	7.8
211.07523	7.5
212.08388	3.0
219.08046	7.8
219.10114	2.5
221.05939	7.3
222.06744	5.1
223.07504	9.7
223.11166	6.5
225.05637	2.9
225.09108	17.7
226.06287	2.6
227.07019	8.3
235.07576	5.2
236.08356	4.4
237.09103	5.9
238.06116	2.7
239.07028	5.0
239.10623	4.2
240.07829	5.9
241.08537	4.0
242.09358	5.7
247.07562	3.7
251.07008	3.2
251.10603	7.4
253.08623	14.0
254.09230	2.4
255.06404	4.4
255.10164	8.2
257.11688	16.2
265.08566	4.4
267.06381	2.7
267.10086	2.9
268.07404	2.5
269.08008	2.9
270.08749	3.5
271.13220	2.6
279.10138	4.7
281.08078	3.1
283.09610	17.0
283.13260	10.0
285.11172	33.6
297.11182	5.3
299.09369	4.3
299.12738	7.6
300.09769	3.2
302.11395	5.7
311.12604	10.5
315.12216	22.7
315.15631	3.0
317.13821	24.1
329.13770	6.1
343.15610	9.9
361.12869	2.0
361.16565	19.8
362.08847	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	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18720	2.5
53.03924	2.4
55.01868	5.0
56.58049	2.6
57.03409	2.4
60.87187	2.7
63.14534	2.4
65.03932	3.2
68.32055	2.1
71.59726	4.2
79.05489	19.6
81.03405	3.7
81.07050	4.7
85.02892	7.4
86.09738	2.6
91.05466	37.8
93.03342	2.8
93.07037	13.0
94.04219	3.1
95.04947	14.0
98.97549	2.9
103.05441	14.7
105.07015	19.5
107.04950	63.4
107.08596	3.1
107.95781	2.5
109.06492	6.5
111.04417	5.8
114.93314	2.3
115.05437	7.1
116.06247	3.5
117.07014	7.1
117.32083	2.7
119.04889	12.9
120.05724	4.0
121.06486	24.5
122.03633	4.7
123.04422	14.5
124.03887	6.6
124.05159	6.0
125.05956	4.6
128.06201	11.4
129.06985	26.7
131.04915	17.9
131.08559	12.3
133.02837	5.8
133.06453	7.3
135.04367	5.6
135.08055	7.5
137.05968	38.6
138.06732	2.8
145.06454	9.0
147.04366	10.3
148.05180	5.2
149.05949	10.6
151.03867	7.8
151.07541	26.3
152.04720	2.9
152.06259	3.1
153.05432	17.7
153.06711	2.7
155.06973	2.6
157.06477	20.5
159.08029	5.2
161.05975	56.4
161.09628	17.0
163.03937	5.0
163.07536	39.9
165.05440	10.1
165.06969	11.1
165.09119	8.8
166.06258	12.1
166.07555	3.1
167.07060	56.6
167.08537	6.4
169.06520	3.9
171.08070	3.3
173.05986	5.3
174.06799	13.0
175.07423	6.8
177.09088	10.4
179.06979	8.0
179.08536	7.0
180.07748	9.7
181.06538	7.7
181.08572	100.0
182.07265	9.0
183.08066	3.5
189.09088	87.6
191.08572	4.2
193.06482	3.8
193.08514	3.8
194.07220	7.7
195.06480	3.2
195.07924	12.6
196.08775	3.3
197.09621	10.0
197.11594	3.7
198.12088	3.0
199.07462	4.6
207.08160	5.3
207.10133	22.3
210.06674	6.0
211.07523	4.7
212.08289	4.1
217.03824	5.3
219.08095	6.0
219.09969	3.7
221.05997	5.7
222.06735	4.3
223.07498	8.7
223.11160	6.0
224.08153	3.1
225.05530	3.5
225.09064	21.5
227.07146	6.1
229.12213	3.1
236.08195	3.8
237.05138	2.5
237.09123	6.7
238.06184	3.4
239.06943	8.2
239.10683	4.1
240.07739	7.2
241.08481	5.9
247.07512	4.0
251.06917	3.9
251.10672	7.2
253.08682	14.4
255.10013	5.2
257.11658	13.7
264.25540	2.9
265.08536	4.2
266.54190	2.8
267.10141	4.0
269.07788	2.9
270.08792	4.5
271.09662	2.7
271.13110	3.7
279.10147	5.5
283.09656	11.6
283.13242	10.0
285.07938	5.0
285.11160	38.2
287.12723	5.9
297.11481	3.1
299.09366	4.3
299.12720	7.7
299.28894	3.1
302.11359	5.3
311.12686	8.8
313.10712	3.5
313.14096	3.0
315.12216	22.1
317.13708	15.8
331.15134	3.1
343.15390	9.7
361.16772	7.4
362.08588	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	361.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
65.03931	2.2
65.80872	1.8
67.62677	1.9
69.58747	12.6
78.04695	3.2
79.05484	16.6
81.07059	3.5
81.97783	1.6
83.04999	2.1
91.05470	24.3
93.07037	11.6
95.04984	10.2
98.21471	3.5
103.05468	15.9
105.07034	13.5
107.04948	37.3
107.75186	1.7
109.06536	4.2
111.04387	3.5
115.05434	4.5
116.06166	2.1
117.07000	5.6
119.04948	8.0
119.08573	5.4
120.05754	3.0
121.06501	23.7
121.59488	1.8
123.04432	9.3
124.05180	4.5
125.05972	4.8
128.06180	12.0
129.07004	28.0
131.04907	12.2
131.08582	13.3
132.05670	3.2
133.02823	3.0
133.06461	5.4
135.04428	4.7
135.08058	9.0
137.05977	23.7
139.07576	1.9
143.08537	2.2
145.06496	7.6
147.04414	5.4
147.08066	3.2
148.05171	5.2
149.05988	8.8
150.06735	2.2
151.03860	3.4
151.07526	19.9
152.04683	5.2
153.05453	17.1
153.06847	2.9
155.07089	3.4
157.06483	23.0
158.07236	2.3
159.08028	3.1
161.05969	44.0
161.09636	11.7
163.07529	23.9
165.05649	3.0
165.07002	9.6
165.09094	10.9
166.06273	13.3
166.07593	3.0
167.07042	82.0
167.08534	6.5
168.07437	2.2
169.06380	2.3
171.08057	3.0
173.06050	2.7
174.06740	13.6
175.07558	10.6
177.06979	3.3
177.09084	11.9
178.07704	2.1
179.07031	5.7
179.08562	6.7
181.06628	4.5
181.08578	100.0
182.07260	8.2
182.08820	3.0
185.09654	1.9
187.07460	2.9
189.09082	85.0
190.07784	1.8
190.09479	3.3
191.08635	3.7
191.10638	3.3
193.06564	4.0
194.07179	3.9
195.08047	13.7
196.08818	3.1
197.05931	3.3
197.09602	12.2
199.07478	3.1
203.10612	3.2
205.06467	2.5
205.10028	1.9
207.08055	5.3
207.10172	17.7
208.08861	4.2
209.05894	3.8
209.09605	4.0
210.06703	7.2
211.07553	6.4
212.08307	4.1
219.08072	8.9
219.10001	2.7
221.06047	6.8
221.09557	1.9
222.06738	4.0
223.07507	9.7
223.11084	3.9
224.08371	1.9
225.09094	17.9
226.06303	3.1
227.07039	7.3
229.12173	2.7
233.06039	1.7
233.09668	2.8
235.07532	4.8
236.08324	5.4
237.09134	3.7
238.06149	2.1
239.07028	3.7
239.10620	4.0
240.07823	5.6
241.08652	3.0
242.09419	2.8
247.07509	2.8
248.08250	1.7
250.09476	1.9
251.07037	6.6
251.10793	8.3
252.07852	2.2
253.08606	14.3
254.09367	2.6
255.06535	5.0
255.10162	6.6
257.08148	2.5
257.11737	17.9
258.87170	2.0
263.06918	2.1
265.08572	3.1
267.10172	4.8
268.07623	2.2
269.07877	2.3
270.08871	4.8
271.13187	2.9
279.10144	6.2
282.08807	2.2
283.09641	14.8
283.13269	8.2
285.07999	3.6
285.11182	38.1
297.11230	2.3
299.12769	4.5
302.11533	5.0
311.12766	8.3
315.12228	17.6
317.13815	21.2
329.13779	4.2
331.15448	2.9
343.15494	10.7
361.16479	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.2
69.43251	9.7
71.04991	1.5
73.02901	1.0
85.02879	2.6
86.09675	2.1
91.05488	1.1
95.04970	1.5
96.04460	1.4
98.20760	1.7
107.04942	2.5
123.04421	1.1
129.01717	1.1
137.05963	1.4
141.07005	1.3
149.02321	1.0
153.01875	1.8
153.07022	1.8
155.08484	3.0
155.35049	1.1
157.07579	1.5
165.06963	9.0
167.08566	2.1
169.06442	2.4
178.07730	3.3
179.08537	20.6
181.06506	3.8
181.09982	1.0
183.08031	29.6
189.06995	2.0
190.07782	1.5
191.08566	3.0
193.06354	7.0
194.07253	3.7
195.05133	1.4
195.08060	3.1
197.05907	2.5
199.07608	5.7
200.09119	2.1
206.07265	1.9
207.08034	59.8
208.08659	1.5
209.09563	4.8
210.07085	1.4
210.09064	7.2
211.07547	22.5
217.06456	3.8
219.08022	2.5
221.05943	11.6
223.07474	4.1
225.08809	1.4
230.04668	1.1
234.06696	1.3
234.08998	2.5
235.07516	100.0
236.10646	2.1
237.09026	10.6
238.08521	3.9
239.07008	65.1
241.08678	1.1
252.10178	72.0
253.08623	4.2
263.06982	8.6
267.06592	2.4
271.09534	6.0
280.09641	13.2
281.08054	52.8
282.11270	1.2
284.09183	7.5
297.12296	40.7
298.10690	77.7
299.10913	1.3
315.13309	15.8
326.10214	12.8
327.08374	1.6
343.12830	45.4
344.11188	4.5
361.13983	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1279
Annotation	Barbatic acid
Peak:m/z	Relative Intensity
53.03931	0.4
63.11736	0.2
65.03938	0.2
66.04713	0.4
67.05484	0.4
68.99789	0.2
69.56246	1.1
69.56661	0.5
77.03912	0.3
79.05479	1.2
81.07047	0.8
88.04102	0.2
91.05482	1.3
93.07014	0.5
94.04187	2.3
95.04963	0.9
95.08608	0.2
96.05743	0.3
98.21511	0.4
105.03409	1.3
107.04927	0.8
108.05701	0.2
109.06512	2.6
110.24781	0.2
111.04430	0.6
121.06471	0.5
122.03634	6.8
123.04362	0.3
123.08044	1.0
124.05198	0.7
125.05970	0.5
133.02844	5.4
135.04376	0.5
137.05963	100.0
138.06253	1.5
139.03877	1.4
139.07497	0.4
141.31528	0.2
149.05962	0.7
151.03951	1.1
151.07527	17.3
152.04665	0.9
152.07898	0.2
153.05486	0.2
153.09093	0.7
161.02332	9.8
161.05936	0.3
165.05496	2.4
165.06923	0.3
167.03394	3.2
167.07008	0.6
169.08597	1.9
177.05403	0.3
179.03394	0.6
180.04146	1.6
181.08559	0.3
191.07039	0.5
193.04919	2.0
194.05670	1.0
195.06514	33.8
196.06955	0.4
197.05930	0.4
198.05202	0.5
203.06779	0.2
209.08081	1.7
211.07747	0.4
224.08443	0.2
225.05559	0.3
237.07509	1.5
239.06981	0.5
240.07719	0.5
241.08548	0.6
243.10100	0.4
253.04892	0.5
254.05840	0.4
255.10191	1.0
257.08060	0.5
268.07114	0.3
269.08093	3.5
271.09647	0.3
283.09674	1.9
284.07199	0.3
284.10400	3.0
285.07562	4.2
287.12756	10.2
299.09064	0.8
300.09879	5.0
301.10516	0.4
311.09134	0.5
314.11551	1.2
315.12219	21.8
316.12589	0.6
327.08713	0.5
328.09253	0.3
343.11703	6.4
361.12753	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	361.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	9.5
56.19886	6.0
56.96562	83.7
58.96137	7.4
60.04515	20.1
62.82978	6.3
67.05526	7.0
69.03419	12.1
70.06575	31.0
72.08148	15.1
74.06068	7.6
74.97611	13.2
79.05511	10.2
84.04491	9.9
84.08131	12.7
84.96031	8.0
85.02910	8.0
86.09700	37.9
89.48562	6.7
91.05486	19.7
93.07053	11.1
95.04968	13.9
95.08572	8.5
97.02911	14.3
98.57906	6.4
98.97578	9.4
105.07098	8.0
107.04934	24.0
116.07092	34.7
119.04966	10.6
121.06486	27.7
123.04417	8.6
127.03899	7.9
129.01752	11.0
131.04715	7.3
134.75427	6.1
137.06027	18.7
143.42416	6.8
147.04387	10.6
150.99155	17.1
151.03929	9.3
151.07556	8.1
153.01790	35.7
161.05937	8.8
163.03943	13.6
163.07550	10.8
165.05469	9.7
167.07106	42.8
169.00215	14.4
170.71832	6.8
174.98570	13.7
177.02246	65.7
189.09009	8.2
195.03302	100.0
199.10896	13.7
224.04343	8.9
239.02274	23.9
253.03798	11.2
258.16873	10.5
279.01715	22.0
297.02820	30.2
315.03806	29.5
361.14542	29.6
361.18729	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	361.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	9.5
56.19886	6.0
56.96562	83.7
58.96137	7.4
60.04515	20.1
62.82978	6.3
67.05526	7.0
69.03419	12.1
70.06575	31.0
72.08148	15.1
74.06068	7.6
74.97611	13.2
79.05511	10.2
84.04491	9.9
84.08131	12.7
84.96031	8.0
85.02910	8.0
86.09700	37.9
89.48562	6.7
91.05486	19.7
93.07053	11.1
95.04968	13.9
95.08572	8.5
97.02911	14.3
98.57906	6.4
98.97578	9.4
105.07098	8.0
107.04934	24.0
116.07092	34.7
119.04966	10.6
121.06486	27.7
123.04417	8.6
127.03899	7.9
129.01752	11.0
131.04715	7.3
134.75427	6.1
137.06027	18.7
143.42416	6.8
147.04387	10.6
150.99155	17.1
151.03929	9.3
151.07556	8.1
153.01790	35.7
161.05937	8.8
163.03943	13.6
163.07550	10.8
165.05469	9.7
167.07106	42.8
169.00215	14.4
170.71832	6.8
174.98570	13.7
177.02246	65.7
189.09009	8.2
195.03302	100.0
199.10896	13.7
224.04343	8.9
239.02274	23.9
253.03798	11.2
258.16873	10.5
279.01715	22.0
297.02820	30.2
315.03806	29.5
361.14542	29.6
361.18729	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	360.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	15.9
57.03435	7.2
69.03438	38.9
70.95251	18.5
81.03396	6.4
81.80785	5.2
85.02902	100.0
97.02898	33.7
99.04482	12.0
101.02408	8.4
109.02897	8.0
110.35970	6.1
127.03923	84.8
135.95491	6.4
145.04939	63.0
155.17665	6.0
160.12741	6.0
163.06026	22.3
188.52246	5.4
358.65854	7.5
383.06400	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	360.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42876	0.9
64.22486	0.9
69.44159	1.0
70.89053	2.5
79.05492	1.4
79.94427	0.9
86.09740	1.1
86.93820	0.9
91.05460	2.0
103.05447	2.0
107.04961	1.9
108.69439	1.0
109.02821	1.0
115.05478	1.0
117.03369	3.8
119.04961	1.0
121.06449	1.4
130.48706	1.0
131.04947	4.1
132.05669	1.1
133.06503	1.6
135.04381	1.7
137.05971	17.9
138.06346	2.4
141.07027	1.1
147.04417	3.3
149.05910	5.1
150.06764	3.3
151.03899	3.3
151.07605	1.2
152.04279	1.4
161.05980	3.9
162.06755	3.6
163.07545	2.3
164.08289	1.8
165.07005	4.3
167.07114	1.0
167.08534	3.6
174.06769	3.4
175.07468	1.8
177.06914	1.2
178.07802	4.2
179.08551	2.1
181.06496	1.9
181.08531	1.5
182.07216	2.1
183.08023	3.2
187.07468	1.2
189.09187	1.9
191.08540	2.7
192.09314	1.3
193.06496	4.2
193.10081	2.3
194.07242	3.5
195.08029	8.7
196.08595	1.3
197.05992	1.2
203.08594	1.6
205.06458	3.7
206.07224	3.0
207.08057	3.8
208.08963	1.2
208.10944	1.6
209.05997	1.5
209.09612	2.4
210.06737	4.3
211.07567	7.1
212.08226	1.9
218.07217	0.9
219.07973	2.8
220.08763	4.0
221.06012	5.3
221.09460	5.3
222.06770	2.1
223.07529	8.9
224.08301	2.6
225.05473	1.1
225.09135	7.9
227.07024	1.6
231.08099	1.4
234.06731	2.7
235.07477	3.9
237.05531	2.4
237.09158	5.6
238.06180	2.5
238.09906	4.4
239.07010	5.9
239.10580	1.5
240.07762	5.0
243.10262	1.5
247.07588	1.5
248.08279	4.6
249.05516	1.0
249.09155	6.2
250.06261	1.7
250.09891	1.0
251.07043	4.7
252.07762	2.4
253.08609	13.3
254.09206	2.3
255.10175	3.8
263.10611	1.1
264.07779	1.7
265.08578	9.5
266.06198	1.7
266.09341	11.3
267.06723	0.9
267.10278	5.1
268.07358	3.4
269.07980	2.8
269.11487	1.2
271.09760	3.1
271.30798	1.0
277.08505	2.2
279.09998	1.6
280.07864	1.4
280.10999	2.1
281.08124	8.8
281.11725	4.3
282.08832	1.3
282.12592	2.9
283.09613	8.9
284.10349	1.4
285.11249	4.2
286.12006	8.9
291.10248	0.9
294.08716	1.7
295.09653	1.1
297.11282	3.9
298.11902	9.6
299.12683	3.6
309.11169	6.4
310.11957	18.8
311.12704	9.5
327.12247	65.4
328.12540	1.8
330.14594	47.2
331.15100	2.0
341.13766	3.4
342.14587	100.0
343.14941	3.6
360.15512	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	360.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49981	0.5
55.01855	1.2
56.96555	1.2
57.03413	0.8
60.04529	0.6
61.02912	0.6
65.03929	0.9
67.05486	1.1
68.99776	2.0
69.03394	1.2
70.06580	3.5
71.34967	1.1
72.08137	1.6
79.05475	0.7
79.30761	0.5
81.07037	1.2
83.01347	0.9
83.97364	0.5
85.02863	0.7
91.05458	2.1
93.07037	0.9
95.04926	2.7
95.08601	1.1
98.97550	0.7
105.07012	2.2
105.93981	0.6
107.04932	1.4
107.08583	1.2
115.05479	0.8
116.98630	1.0
117.07017	3.2
119.04922	2.4
119.08590	0.7
121.02865	0.5
121.06484	3.6
121.10171	0.7
123.04415	24.0
124.61218	0.6
131.04898	1.0
135.04399	2.6
135.08020	3.4
136.07547	2.7
137.05945	2.1
139.03873	6.6
139.11125	0.8
140.04256	1.2
145.06488	2.6
147.04388	9.3
149.05972	2.7
151.03882	2.1
157.06432	0.8
158.99623	0.6
161.05957	1.9
163.03888	2.0
163.07535	13.2
165.05450	4.6
166.04948	0.9
167.07043	0.9
169.06404	0.7
173.05971	6.3
175.07506	1.2
176.04640	1.0
179.06976	4.6
180.06584	0.7
184.05640	0.7
185.05943	0.9
187.07466	1.1
189.05415	0.6
190.08604	10.5
191.07008	59.8
203.06996	2.2
208.09665	100.0
209.09862	1.2
220.09685	2.0
221.08081	0.7
223.00621	0.5
223.06677	0.6
244.65231	0.8
264.44131	0.5
284.10742	1.1
311.12680	1.8
314.04114	0.6
318.09885	0.6
325.10590	5.1
342.13260	4.4
343.11798	1.7
360.14355	22.4
361.14499	0.6
368.10953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26175	0.7
53.03958	0.6
58.11668	0.6
60.04517	1.5
65.03946	1.1
69.03420	1.1
69.80732	4.2
70.06578	1.6
72.08152	0.7
79.05495	0.8
81.03429	0.7
85.02911	3.6
86.09702	1.1
95.04948	1.4
96.99055	0.6
120.08138	1.2
121.02872	3.2
121.03876	0.5
127.03889	1.1
133.02841	2.4
135.04399	1.8
137.05972	2.1
138.06374	0.6
149.02341	100.0
150.02615	1.5
151.07600	0.7
163.03905	70.2
164.04301	1.0
167.03435	2.0
174.08727	0.8
177.09128	0.8
181.04956	25.5
189.09071	0.7
198.12160	1.1
265.08237	0.8
265.46848	0.7
266.08536	0.7
273.71829	0.8
280.10434	0.8
283.10950	0.6
295.08899	0.6
312.13181	1.2
342.14401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14864	1.5
56.49744	1.5
56.96558	4.6
60.04525	13.6
61.02904	1.9
69.03424	3.6
70.05820	7.7
70.06589	2.1
72.08148	7.3
79.05479	2.7
81.07047	2.6
81.73521	2.0
85.02890	8.9
86.09705	5.2
89.03918	4.6
91.05473	6.3
95.04960	2.6
97.02904	2.7
98.21410	1.9
98.97583	1.9
103.05468	2.2
105.07128	1.8
107.04965	4.0
116.98577	2.1
117.03381	6.1
119.04915	2.9
123.04461	3.7
127.03866	2.6
131.04912	3.0
135.04414	17.6
137.06004	3.8
139.41698	1.3
145.02852	10.6
145.04869	1.5
147.04401	9.5
149.06120	1.6
150.99152	1.7
153.01875	7.3
154.02206	1.5
157.13330	2.1
162.05594	2.6
163.03900	100.0
165.05478	3.8
175.10760	2.3
177.02200	2.0
180.06564	2.3
181.04958	43.0
181.06540	1.8
191.07018	3.6
195.03261	2.7
208.09654	3.5
297.02884	1.9
324.21481	1.6
342.22772	6.4
360.17438	2.7
360.23911	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	360.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45027	2.8
50.55037	2.6
55.05498	5.7
56.23758	2.5
58.06585	10.6
68.99783	4.5
69.07056	3.6
71.60377	4.8
72.62068	2.4
76.07638	16.9
80.04992	3.0
81.03379	3.1
81.07042	6.1
83.08616	2.6
83.23660	2.5
84.04472	3.0
85.02914	3.4
86.06079	4.3
86.09710	3.9
93.07034	8.6
95.04978	6.2
95.08591	4.3
107.04978	4.4
108.08104	5.4
109.02933	2.6
109.06535	2.7
109.10168	2.6
114.10634	3.0
119.04946	8.4
123.04457	16.1
124.07606	10.6
125.08306	3.1
127.03862	2.8
131.84047	2.7
135.11595	3.1
136.07436	3.3
137.01350	5.0
137.02344	82.9
137.03378	7.4
137.05968	2.9
138.09142	2.8
147.04384	10.6
149.02354	2.9
150.12752	7.6
151.13635	5.2
152.14326	18.0
153.01799	17.9
162.05493	4.6
164.03534	3.5
165.01875	5.6
165.05460	5.4
169.01428	3.1
178.05040	6.4
180.13774	3.3
185.05898	3.8
192.02957	3.8
196.16891	3.9
198.14925	20.9
199.03729	4.3
206.04456	5.0
207.02980	3.7
213.05487	6.3
217.05005	5.8
224.05591	4.5
231.06537	5.2
241.05002	6.2
244.06026	4.7
245.04451	13.0
254.04430	5.6
256.22702	26.8
257.23074	7.7
268.06006	4.0
269.04514	5.3
273.03894	24.5
274.04651	10.2
275.05414	5.1
282.03903	4.8
283.02325	3.3
286.07037	4.0
287.05405	18.3
296.05554	12.2
297.03998	10.5
300.04996	10.0
301.03400	31.8
302.04202	81.6
303.04828	8.3
314.06772	14.1
315.04962	26.6
316.19086	55.1
317.02615	3.2
318.06094	81.7
318.09866	4.1
319.04355	28.8
324.04971	6.6
342.06082	100.0
342.10202	5.0
342.26175	8.6
343.04468	8.5
355.10556	3.1
360.07101	91.0
360.14066	6.4
360.21689	44.3
378.02219	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	359.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14405	3.0
52.95609	2.6
53.03938	3.3
64.11385	3.0
67.05505	6.4
69.03419	11.5
69.07043	3.8
69.70589	12.3
69.71014	10.5
70.06586	9.4
71.04994	3.3
71.87749	3.1
73.02903	4.0
79.05479	7.7
81.03432	3.2
81.07059	7.4
85.02898	28.9
86.09702	28.4
91.05462	11.6
93.07043	8.4
95.04936	7.1
97.02873	5.6
98.21505	3.6
103.05467	57.5
105.07010	13.7
107.04955	4.3
107.08565	14.5
109.02853	4.0
115.05404	3.9
116.07074	6.6
119.04909	8.9
119.08578	3.5
121.06515	5.9
123.04423	6.5
127.03922	3.8
131.04919	100.0
133.10117	14.1
134.82549	3.0
135.08026	4.7
135.11687	20.7
137.02350	5.8
137.05986	27.2
144.89449	3.2
147.04367	7.7
149.05981	4.4
151.03944	7.3
153.01862	3.6
153.05528	3.8
155.11786	5.6
161.05911	13.2
161.09616	11.2
163.07536	25.9
167.07169	3.7
175.07594	4.2
177.09071	3.9
179.07007	3.9
179.10646	29.1
181.04961	8.4
197.11722	73.3
200.13943	10.7
205.06430	3.3
211.07498	4.7
221.09688	4.0
224.08179	3.7
226.98004	3.5
228.13420	6.1
241.08676	3.6
244.92136	3.5
251.06903	4.9
253.08571	6.5
269.08139	5.1
279.09982	3.7
299.09009	3.8
299.12750	4.6
309.11221	4.1
313.10696	13.3
313.14294	8.6
318.06061	5.3
341.13770	12.7
342.05942	6.5
359.14819	29.4
360.07031	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	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03946	1.7
57.03435	3.2
61.02920	4.1
69.03434	8.4
69.51424	11.6
69.51698	1.2
79.05505	1.5
80.15157	1.4
81.03413	2.1
81.07059	2.7
85.02415	2.8
85.02901	35.0
86.09722	3.6
91.05469	5.9
93.07036	8.5
95.04958	1.7
97.02882	7.7
99.04454	1.5
103.05459	3.5
105.07001	7.5
107.08588	26.4
109.02859	3.3
109.06529	1.9
109.10128	3.5
119.08565	3.7
121.06476	3.1
126.73886	1.6
127.03951	7.4
130.00769	1.3
131.04915	5.0
133.10126	26.9
135.11682	24.4
137.02226	1.2
137.09636	2.2
145.04950	3.6
151.11203	2.9
161.09644	12.7
163.07475	1.4
179.10657	43.8
189.21359	1.4
197.11723	100.0
198.12050	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	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95473	0.9
55.01863	2.1
55.05519	1.4
61.02924	1.7
62.17558	0.8
67.05498	2.5
69.03426	4.0
69.07060	1.3
69.27644	7.5
69.28072	2.8
70.06580	1.8
73.02917	1.2
79.05496	3.1
81.03432	1.3
81.07057	4.1
85.02908	10.4
86.09697	3.4
87.79082	0.8
88.93783	1.0
91.05479	6.0
93.07039	7.4
95.04960	1.6
95.08603	3.0
97.02911	2.8
97.06551	1.5
103.05466	1.7
105.07037	10.1
107.08591	34.0
109.06528	1.9
109.10159	2.6
111.04488	1.1
115.05511	1.1
117.07017	1.3
119.04912	1.1
119.08593	5.9
121.06504	1.8
121.10164	5.7
123.04428	1.0
123.08106	1.5
123.11673	1.3
125.06047	1.3
125.09612	1.3
127.03912	2.1
131.04942	1.4
131.08540	1.0
133.06429	1.1
133.10127	18.9
135.08128	0.9
135.11688	1.0
137.05998	8.5
139.07539	1.8
145.04999	1.3
147.04424	2.1
149.09624	3.0
151.03900	6.2
151.07497	1.8
151.11211	6.8
153.01794	1.5
153.05479	2.5
161.05931	2.3
161.09592	5.6
163.07544	1.9
167.07152	1.3
167.10686	12.6
175.07530	1.8
179.07028	1.7
179.10672	15.5
181.05061	1.2
189.09064	1.6
197.11731	100.0
198.12099	2.4
252.43698	1.0
269.07932	1.2
311.12845	2.5
313.10712	2.2
313.14087	1.2
327.08334	1.1
329.13519	1.1
341.13705	2.0
359.14642	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	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01867	3.1
56.96551	2.5
57.03418	3.9
61.02912	4.5
65.03929	1.7
67.05491	3.0
69.03425	14.0
70.06578	6.0
71.04979	1.5
73.02915	2.1
79.05480	3.5
81.03422	6.8
81.07049	2.6
83.35715	1.4
85.02419	2.7
85.02897	37.6
86.09728	1.7
87.04440	3.3
91.03932	2.0
91.05456	8.5
93.07021	6.3
93.07564	1.7
93.36641	1.4
95.04957	2.9
95.08588	3.8
97.02904	10.8
99.04454	2.3
105.07027	7.7
107.04920	2.3
107.08593	53.1
109.02863	3.4
109.06541	3.5
109.10136	8.4
119.04919	4.1
119.08558	2.2
121.06496	3.6
123.04440	22.3
127.03903	9.1
127.08665	2.1
131.04900	2.4
133.10143	23.3
135.08005	1.9
135.11700	10.3
137.05942	7.2
137.09615	5.6
145.04935	9.6
145.06468	2.2
147.04390	4.5
149.05922	2.2
150.99457	1.5
151.03914	2.9
151.11183	4.4
153.01808	5.9
153.05530	2.1
155.62071	1.5
161.05986	2.1
161.09621	5.9
163.07568	8.1
173.05898	1.6
175.07504	2.0
179.07033	3.4
179.10663	24.4
181.08545	1.9
190.08600	2.6
191.07011	15.9
197.11722	100.0
198.12097	3.9
203.07057	1.5
208.09692	31.2
288.05869	1.8
311.12802	1.7
311.67816	1.5
325.10358	1.7
359.16068	3.4
360.14368	7.2
362.02899	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	359.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
55.10020	1.4
55.42031	1.2
57.03450	1.9
59.46875	1.2
60.14764	1.0
61.02925	5.9
61.54770	1.1
67.05496	2.2
69.03424	12.0
70.06583	1.5
70.88467	3.6
71.04990	1.5
73.02904	2.3
79.05504	1.4
81.03410	5.2
81.07043	1.3
85.02905	40.5
86.41597	1.2
91.03950	2.2
91.05479	11.0
93.07040	3.6
95.04956	2.7
95.08591	2.7
97.02889	13.1
97.06469	1.5
98.97552	1.9
99.04425	2.5
103.05443	1.4
105.07017	9.8
107.07856	2.8
107.08586	56.8
109.02862	2.3
109.06482	2.7
109.10153	9.9
119.04906	1.6
119.08565	2.2
121.06485	2.5
123.04432	1.3
127.03922	7.2
133.06483	1.3
133.10127	24.6
135.11017	0.9
135.11710	10.0
137.05980	2.9
137.09592	8.7
145.04938	9.7
146.07166	1.3
147.04332	1.9
151.11166	4.9
153.01814	3.8
153.02966	1.3
154.02237	1.1
157.07672	2.0
161.09605	10.2
179.10660	23.2
197.11723	100.0
198.12044	1.5
207.90878	1.1
226.98526	1.4
293.43991	1.3
313.90921	1.2
359.16653	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1488
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
52.47610	1.3
53.15066	1.2
58.99578	1.1
65.03934	5.8
67.05496	2.8
67.73022	1.2
67.97780	1.2
69.03400	1.4
70.85560	2.4
70.85895	2.4
82.04166	2.2
85.02898	2.3
89.64323	1.3
91.05486	2.0
95.04974	3.0
97.06508	1.4
103.05470	1.2
105.07030	1.7
106.95020	1.1
107.04958	5.8
110.03647	4.5
111.04434	5.5
121.02875	11.7
121.06496	2.0
125.06023	6.2
129.07013	2.0
131.04839	1.6
135.08018	4.3
144.05708	2.2
145.06464	3.5
147.04396	1.5
149.02319	3.7
149.05965	1.5
151.03934	1.6
152.06146	2.0
153.00526	1.2
153.05429	5.5
153.06841	1.7
155.08618	1.4
159.08060	7.2
161.05957	3.4
161.09724	1.4
165.06982	5.6
167.07036	4.4
167.08508	3.5
168.05690	1.9
169.06464	2.8
171.06506	2.4
178.07768	4.4
179.06955	1.4
179.08517	2.8
181.04977	31.6
181.06480	5.7
181.09999	1.2
182.07211	3.2
183.07999	2.6
184.05211	2.3
184.08804	1.2
190.07811	2.1
191.08566	3.0
194.07256	3.3
195.08054	15.4
197.05977	5.1
197.07762	1.2
197.09621	2.9
198.06769	1.4
205.06522	1.3
206.07253	3.0
207.08055	4.4
209.05949	3.4
209.09583	4.0
210.06761	8.0
210.10324	2.2
211.07523	8.4
212.04660	1.2
212.08272	6.6
213.09134	2.8
219.08009	3.0
220.08800	3.5
221.06090	1.6
221.09589	11.4
222.06705	2.9
222.10330	2.4
223.07484	13.6
223.11107	2.9
224.08334	6.9
225.05348	2.7
225.08980	8.2
226.06117	2.0
227.07034	5.9
227.10645	3.9
231.08148	1.8
234.06734	3.9
235.07518	3.2
236.08333	1.4
237.05435	2.5
237.09058	9.4
238.06207	5.3
238.09906	11.2
239.06973	7.6
239.10625	2.0
240.07797	20.8
241.08545	4.8
242.05743	3.3
248.08386	2.5
249.09105	6.1
250.09946	2.8
251.06992	7.7
251.10774	2.8
252.07727	10.4
253.08583	36.2
253.12219	14.8
254.05768	1.5
254.09335	5.1
255.06514	7.4
255.10184	10.5
257.08044	9.4
265.08569	7.0
266.05847	1.4
266.09354	8.1
267.06418	2.5
267.10144	7.3
268.07324	6.2
269.08057	13.6
270.08829	4.5
271.13196	2.8
280.07462	1.7
280.10767	1.4
281.08087	10.4
281.11691	10.1
282.08780	3.3
282.12064	1.8
283.06128	4.6
283.09641	21.7
284.10394	4.2
285.07599	5.1
285.11133	3.5
285.14615	1.7
295.09647	2.9
297.07520	8.3
297.11139	4.1
298.08322	11.1
298.11893	4.9
299.12650	9.9
300.09860	19.7
301.10638	2.3
309.11118	8.6
310.11765	2.2
311.08917	2.7
313.10669	100.0
313.14328	64.2
314.11060	3.2
325.10608	1.6
326.11533	6.3
327.08340	2.8
327.12228	48.2
328.12854	3.6
331.15347	25.3
341.13806	56.7
359.14856	87.8
370.98059	1.3
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	Negundin B
Peak:m/z	Relative Intensity
65.03924	5.1
67.05483	1.2
68.69038	1.3
70.66679	3.9
70.67055	1.6
77.12298	1.2
77.52711	1.3
79.05505	1.8
82.04174	1.4
85.02892	1.7
89.81962	1.2
93.03406	2.1
94.85312	1.3
95.04945	2.0
98.66245	1.3
107.04935	3.3
110.03654	5.5
111.04436	4.0
115.05453	1.5
121.02863	13.8
121.06464	2.7
123.04473	1.5
124.86987	1.3
125.05956	4.9
131.04929	2.2
135.08028	3.9
137.05927	1.9
142.02539	1.2
142.05319	1.3
144.05707	3.0
144.26331	1.1
145.06491	1.4
149.02330	2.3
151.26714	1.3
152.06131	1.5
153.05426	3.8
153.06966	2.1
159.08038	7.1
161.06006	2.1
161.09607	3.6
165.07034	4.2
167.06999	6.8
167.08525	3.5
168.05753	1.5
169.06477	2.8
171.06516	2.9
171.07913	1.5
177.06995	1.5
178.07761	4.1
179.08565	2.9
181.04979	30.7
181.06485	4.6
182.07240	2.0
183.08014	2.8
184.08873	1.9
191.08519	3.0
193.06454	1.9
194.07278	4.3
195.08047	9.7
197.05988	6.1
197.09610	2.4
199.11147	1.5
203.08438	1.4
205.06470	2.8
206.07320	2.9
207.08035	3.4
209.05850	2.3
209.09601	3.6
210.06779	7.8
211.07518	8.6
212.08235	5.9
213.09058	1.9
219.08022	2.1
220.08888	2.0
221.06041	2.1
221.09615	12.1
222.06749	3.7
222.10333	2.3
223.07506	11.9
224.08224	6.3
225.09047	6.6
227.06995	5.6
227.10489	2.8
234.06721	1.6
235.07495	4.3
237.05510	1.7
237.09006	11.0
238.06218	3.8
238.09889	11.9
239.06992	7.8
239.10603	2.9
240.07796	18.7
241.08649	4.1
242.05620	1.7
248.08328	2.1
249.09041	7.6
250.09882	3.0
251.07002	7.1
251.10707	2.4
252.07771	6.9
253.08594	32.0
253.12231	9.1
254.09229	2.4
255.06487	8.8
255.10007	7.6
256.07474	2.1
257.08047	8.6
263.10672	1.8
265.06223	1.3
265.08508	7.3
266.09311	6.5
267.06744	2.4
267.10147	6.0
268.07315	6.4
269.08069	17.1
270.08844	3.8
271.09741	1.8
279.06476	1.5
280.07477	1.6
280.10922	1.7
281.08151	9.6
281.11740	10.5
282.08923	2.9
282.12503	2.1
283.06018	4.9
283.09631	18.6
284.10391	3.8
285.07559	5.8
285.11301	2.9
285.14722	2.4
294.09070	1.8
295.09537	3.0
297.07550	9.3
297.10956	2.9
298.08481	13.2
298.11755	2.4
299.12753	9.9
300.09879	23.7
309.11121	8.9
310.12091	3.2
311.09125	2.8
313.10672	100.0
313.14337	70.3
314.11063	2.6
314.14453	2.2
325.10632	1.7
326.11499	5.3
327.12247	44.9
328.13004	2.7
331.15387	26.8
341.13815	56.3
342.14117	1.9
359.14868	96.5
360.15182	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	359.1487
Annotation	Dehydrodiconiferyl alcohol
Peak:m/z	Relative Intensity
55.01867	3.5
55.05501	5.2
65.03934	3.7
67.05502	5.1
69.03434	2.0
69.07070	2.4
71.04992	3.7
71.37204	3.6
75.70737	1.8
77.16206	1.7
79.05498	3.3
81.07059	4.5
83.04940	2.8
85.02911	6.4
91.05492	7.4
93.07040	4.5
95.04981	5.7
95.08598	3.3
97.02881	2.8
97.06551	3.4
103.05476	5.2
105.07044	3.7
107.04945	8.9
107.08620	3.4
110.03685	4.1
111.04447	4.1
113.14106	2.1
115.05461	4.0
117.07052	3.9
119.04980	3.8
121.02878	12.3
121.06524	5.3
123.04440	2.2
125.06037	4.5
128.06233	2.6
131.04965	6.5
133.10106	2.0
135.08026	8.7
137.05986	9.8
144.05730	3.6
145.06512	4.3
147.04469	2.0
147.08110	6.2
149.02388	2.3
149.05980	4.1
151.03918	5.1
151.07579	2.4
153.01857	3.2
153.05550	5.5
153.06932	2.1
155.08800	1.8
159.08073	5.3
160.05241	4.1
161.06017	5.5
161.09656	3.9
162.06779	2.4
163.03941	1.9
163.07607	3.7
165.01831	2.5
165.05649	3.1
165.07077	5.3
165.09145	2.4
166.07864	2.9
167.07037	18.2
167.08427	3.3
169.06598	2.3
171.06628	2.6
174.06763	1.9
175.07539	12.1
177.09131	2.1
178.07887	5.5
179.07132	3.1
179.08612	4.8
181.05009	24.2
181.06538	7.0
181.08553	2.3
182.07240	3.5
187.07587	3.3
191.08617	4.5
193.06551	2.5
194.07413	5.2
195.08086	11.2
196.05309	2.0
196.09004	2.0
197.06064	5.6
197.09639	3.1
197.15405	1.9
199.07512	2.4
202.07649	1.8
205.06627	3.0
205.08615	2.3
206.07285	4.0
207.08160	5.0
208.08885	3.4
209.06067	5.3
209.09734	5.0
210.06905	6.8
210.10408	2.9
211.07629	7.5
212.08452	6.5
213.09033	2.3
219.08110	3.0
220.08809	2.4
221.06189	4.2
221.09511	10.6
222.06888	3.7
222.10406	4.4
223.07458	14.8
224.08441	5.8
225.09229	8.3
227.07077	5.2
227.10742	4.3
229.03197	33.0
234.06741	3.0
235.07602	4.4
236.08316	2.4
237.05446	2.3
237.09128	9.2
237.14575	2.3
238.06348	3.7
238.09869	10.9
239.07051	10.0
239.10724	2.2
240.07816	18.2
241.08679	4.6
242.05655	3.0
248.08427	2.3
249.09125	10.0
250.06310	2.6
250.09930	2.4
251.07144	7.8
251.10771	2.3
252.07990	7.1
253.08594	29.7
253.12248	10.9
254.09430	3.1
255.06679	7.8
255.10059	12.4
257.08112	9.6
263.07211	2.1
265.08597	10.5
266.09595	6.4
267.06833	3.2
267.10321	10.0
268.07422	5.7
269.08099	16.3
270.08856	3.1
277.08698	3.3
281.08426	10.0
281.11359	10.9
282.09018	2.1
283.06537	4.1
283.09796	19.8
284.10428	3.6
285.07700	4.5
285.11127	3.1
292.19678	2.4
295.06726	2.8
295.09839	5.1
297.07724	10.3
297.11212	3.7
298.08472	16.3
298.12030	5.2
299.12796	9.4
300.09854	22.9
309.11176	11.5
310.12027	2.4
311.09402	4.1
313.10846	95.1
313.14493	59.5
314.11246	3.2
326.11588	6.0
327.12308	41.3
327.16000	2.9
328.12955	3.0
329.13806	3.9
331.15436	25.8
332.22214	2.1
341.10132	6.1
341.13779	60.1
341.22296	2.3
350.22797	2.7
359.14981	100.0
359.23419	35.9
359.73352	11.3
360.15436	2.5
377.02103	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	359.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02221	4.5
55.01867	11.7
56.96554	5.4
58.56931	3.5
67.05476	4.9
71.59793	4.9
79.05508	6.8
81.07048	7.3
91.05476	12.1
93.07057	7.0
95.04961	3.5
95.08609	9.5
95.44623	3.6
103.05473	8.8
103.54060	3.8
105.07041	8.3
107.04977	6.0
109.06525	6.5
114.95055	3.4
115.05460	7.0
116.67027	3.6
118.39943	3.7
119.04918	7.5
119.97249	3.5
121.06472	7.0
122.03664	6.6
123.04400	13.0
131.04938	8.2
133.06535	6.2
133.10155	4.8
137.02380	12.7
137.05968	100.0
143.04886	5.3
147.04399	13.5
149.06006	12.0
151.03917	32.5
153.01862	7.0
153.05508	10.4
159.08116	4.0
160.53592	4.2
161.05992	29.3
162.06764	5.2
163.07524	9.3
165.06999	12.8
166.07773	6.3
167.07100	7.5
167.08536	4.5
175.07565	16.2
178.07857	4.0
179.07047	16.9
179.08588	10.5
181.05043	5.6
181.06528	5.0
187.07590	6.2
190.07724	5.2
191.08560	26.5
193.06493	8.2
194.07289	14.6
195.08118	4.3
197.15388	4.0
197.79826	3.7
203.08562	4.2
203.98172	4.4
205.06465	10.4
207.08087	14.6
211.07570	5.1
218.07298	9.2
219.08022	36.2
220.08810	10.2
221.05959	10.7
222.06779	21.4
223.07574	3.9
224.08380	5.9
225.09158	5.0
233.06023	4.6
235.07536	9.5
236.08257	9.6
237.09093	16.2
239.07135	4.3
239.10791	6.6
247.07552	21.7
248.08307	8.9
251.10680	22.2
253.08615	8.5
253.12260	4.0
254.09181	5.8
263.07089	4.3
263.10516	4.1
264.07761	7.9
265.08606	48.0
266.09317	4.2
267.10242	11.1
273.04047	5.8
279.10153	58.7
280.10626	6.5
281.08261	8.6
291.10162	6.5
295.09613	19.1
297.11194	55.6
298.11871	6.3
299.12732	29.7
301.03317	7.9
302.04269	6.4
309.11295	10.8
310.12021	15.9
311.12781	69.6
313.10693	17.7
313.14160	7.2
318.06097	11.7
319.04443	5.5
327.12280	10.7
329.13904	10.5
331.15427	4.8
341.13864	46.6
342.06067	9.8
342.14468	6.2
359.00482	5.5
359.14862	28.8
360.06967	15.0
377.01733	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1482
Annotation	Prestegane B
Peak:m/z	Relative Intensity
51.02221	4.5
55.01867	11.7
56.96554	5.4
58.56931	3.5
67.05476	4.9
71.59793	4.9
79.05508	6.8
81.07048	7.3
91.05476	12.1
93.07057	7.0
95.04961	3.5
95.08609	9.5
95.44623	3.6
103.05473	8.8
103.54060	3.8
105.07041	8.3
107.04977	6.0
109.06525	6.5
114.95055	3.4
115.05460	7.0
116.67027	3.6
118.39943	3.7
119.04918	7.5
119.97249	3.5
121.06472	7.0
122.03664	6.6
123.04400	13.0
131.04938	8.2
133.06535	6.2
133.10155	4.8
137.02380	12.7
137.05968	100.0
143.04886	5.3
147.04399	13.5
149.06006	12.0
151.03917	32.5
153.01862	7.0
153.05508	10.4
159.08116	4.0
160.53592	4.2
161.05992	29.3
162.06764	5.2
163.07524	9.3
165.06999	12.8
166.07773	6.3
167.07100	7.5
167.08536	4.5
175.07565	16.2
178.07857	4.0
179.07047	16.9
179.08588	10.5
181.05043	5.6
181.06528	5.0
187.07590	6.2
190.07724	5.2
191.08560	26.5
193.06493	8.2
194.07289	14.6
195.08118	4.3
197.15388	4.0
197.79826	3.7
203.08562	4.2
203.98172	4.4
205.06465	10.4
207.08087	14.6
211.07570	5.1
218.07298	9.2
219.08022	36.2
220.08810	10.2
221.05959	10.7
222.06779	21.4
223.07574	3.9
224.08380	5.9
225.09158	5.0
233.06023	4.6
235.07536	9.5
236.08257	9.6
237.09093	16.2
239.07135	4.3
239.10791	6.6
247.07552	21.7
248.08307	8.9
251.10680	22.2
253.08615	8.5
253.12260	4.0
254.09181	5.8
263.07089	4.3
263.10516	4.1
264.07761	7.9
265.08606	48.0
266.09317	4.2
267.10242	11.1
273.04047	5.8
279.10153	58.7
280.10626	6.5
281.08261	8.6
291.10162	6.5
295.09613	19.1
297.11194	55.6
298.11871	6.3
299.12732	29.7
301.03317	7.9
302.04269	6.4
309.11295	10.8
310.12021	15.9
311.12781	69.6
313.10693	17.7
313.14160	7.2
318.06097	11.7
319.04443	5.5
327.12280	10.7
329.13904	10.5
331.15427	4.8
341.13864	46.6
342.06067	9.8
342.14468	6.2
359.00482	5.5
359.14862	28.8
360.06967	15.0
377.01733	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96532	4.4
70.06595	5.5
71.59227	5.1
79.05456	5.7
81.07030	8.2
86.09679	5.6
91.05470	10.3
93.07037	4.4
95.05016	3.9
103.05437	5.7
105.06998	8.7
107.04929	6.8
107.08580	3.6
109.06512	11.2
115.05479	5.7
122.03622	4.2
131.04988	4.4
133.06464	5.7
137.02335	10.5
137.05975	90.1
143.04938	8.9
146.03612	3.7
149.05977	12.0
151.03896	4.9
151.07599	3.7
153.01883	4.9
161.05960	46.5
162.06721	8.1
163.07489	5.0
165.06976	12.6
166.07771	10.1
175.07526	13.5
178.07748	8.2
179.08553	18.1
179.09918	3.3
187.07571	4.7
189.06934	6.6
190.07790	14.5
191.08553	38.1
193.06401	7.5
193.10144	3.9
194.07269	34.2
195.08029	4.9
196.08791	5.2
202.07776	5.9
203.08521	5.6
205.06531	11.3
207.08104	23.4
208.08771	7.4
209.09578	6.7
210.06898	3.9
211.07535	6.1
218.07304	10.8
219.08044	51.4
220.08795	9.4
221.05959	11.9
221.09686	6.6
222.06775	19.6
223.07492	6.1
224.08223	7.2
225.09117	8.1
231.08072	6.3
233.06012	4.1
233.09747	4.3
235.07526	21.3
236.08321	20.2
237.09126	17.9
239.10608	5.4
246.06755	5.7
247.07523	33.9
248.08202	10.9
249.09077	6.4
251.10674	27.3
253.08607	9.5
254.09505	4.5
259.07553	4.8
261.09085	4.7
263.07159	4.1
264.07791	9.4
265.08578	68.2
265.11340	4.6
267.10120	10.8
269.07922	3.9
271.83902	3.8
279.10156	100.0
280.10706	8.7
285.11102	5.6
291.10162	11.8
295.09735	26.3
296.10303	6.7
297.11185	72.0
299.12762	41.1
302.04138	6.6
309.11105	11.5
310.11929	26.6
311.12766	95.1
318.06024	9.8
319.04230	4.2
329.13733	9.3
340.35367	4.5
341.10385	5.2
341.13852	46.4
342.05936	5.9
359.14786	4.7
360.07111	12.9
377.01794	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	2.8
57.03416	1.7
61.02905	2.9
65.03886	1.2
69.03429	7.1
70.06573	2.5
71.59483	1.9
72.08129	5.6
73.02879	4.0
79.05496	1.3
81.03403	3.2
83.06087	2.4
84.04478	2.4
85.02895	9.3
86.09683	5.3
89.35644	1.3
91.05452	3.3
93.05744	1.7
94.06520	1.9
95.04939	2.3
97.02882	6.3
98.97549	3.3
99.04446	2.1
103.05412	2.6
105.07021	2.6
107.04945	2.4
109.02837	1.5
109.06436	1.6
113.05948	3.8
116.98582	1.4
119.06062	18.9
121.06492	1.3
123.04408	2.3
125.02304	1.8
125.05975	3.1
127.03906	3.5
131.04861	3.9
132.10161	3.1
137.02260	1.9
137.05928	9.9
137.07060	5.8
146.99638	1.5
147.04349	3.4
147.05493	10.9
148.03859	3.2
148.06311	48.0
149.04703	2.7
149.07089	63.3
151.03859	4.3
151.08690	1.5
153.01816	14.4
163.03851	2.3
163.07466	4.5
164.05692	2.1
165.06586	46.5
166.07353	8.7
167.06967	1.5
175.07509	3.9
179.08171	43.5
182.12875	1.9
183.11319	1.6
187.07466	1.6
189.00722	1.3
191.06961	5.0
197.09262	42.5
200.13904	1.6
208.09744	9.9
237.02739	1.8
255.03348	3.2
257.04279	1.5
267.09912	1.3
279.09897	2.4
297.11203	2.6
299.12665	2.8
303.04962	9.2
311.12732	3.9
341.13443	1.3
359.14319	100.0
360.14459	3.5
368.29044	1.4
377.01602	5.8
384.15839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19117	2.3
56.96559	9.1
57.03432	9.0
61.02930	3.0
66.85125	2.6
69.03424	9.5
70.06581	3.9
71.04990	48.3
71.16820	7.5
73.02914	7.9
75.04476	4.5
79.01821	4.9
81.03403	3.0
83.04989	6.7
84.04524	4.0
84.08138	4.9
85.02901	100.0
87.04468	4.0
95.04961	3.1
96.02193	2.7
97.02909	13.4
98.97576	6.9
99.04416	3.9
101.05983	3.2
107.74136	2.5
109.02870	5.2
111.04442	7.2
112.07590	4.2
116.98653	7.7
126.01019	3.1
127.03927	7.6
129.05470	35.2
134.99611	2.9
137.05995	5.8
143.03398	4.4
145.04970	7.4
146.99706	3.8
147.06499	3.0
153.01825	37.3
154.02090	3.5
156.03365	2.9
169.05003	3.1
174.04355	7.2
177.00603	4.4
178.05011	8.0
178.08699	3.3
186.04375	6.7
187.04688	4.7
196.09711	4.0
204.05478	7.3
205.05844	5.1
237.02800	3.0
246.06360	3.8
255.08600	4.0
309.11655	4.1
314.17468	3.0
322.83264	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04589	0.4
55.01867	1.0
55.05494	0.6
56.96559	0.4
57.73906	0.4
58.99576	0.5
59.04942	0.4
61.90301	0.4
65.03951	0.6
67.05494	1.3
69.03391	0.4
70.56322	1.4
76.02220	1.5
79.05499	0.7
81.07041	1.6
85.02891	0.6
91.05479	2.3
93.07038	1.0
95.04953	1.3
95.08609	1.5
102.04692	1.4
103.05466	1.5
105.03381	1.4
105.07045	3.1
106.25628	0.4
107.01308	0.5
109.10160	1.5
111.04427	0.7
115.05462	1.0
117.03346	0.4
118.04156	1.3
119.04925	3.3
119.08588	0.6
121.02863	0.9
122.03666	1.2
123.04442	1.2
125.06100	0.4
129.06996	0.6
130.04143	2.3
131.04915	1.7
133.02843	1.8
133.06482	1.2
134.03667	0.9
135.04370	0.4
135.07996	0.4
137.02362	0.4
137.05972	8.1
146.03622	12.8
147.04416	8.8
149.02347	1.5
149.05959	0.7
151.03929	3.5
151.05005	0.7
151.07535	0.8
151.14806	0.8
151.96898	0.4
153.06992	0.6
160.05162	0.6
161.02335	4.1
161.05981	16.2
162.02234	1.3
162.06769	4.2
167.07025	1.3
173.06084	0.4
175.07596	0.6
176.87546	0.4
177.01871	2.7
177.05515	1.2
177.09085	0.5
178.02617	1.5
179.03400	21.9
179.04808	1.3
179.14264	0.8
180.03825	0.5
181.06476	0.6
187.07452	0.4
189.01920	0.4
193.08528	0.4
194.07373	0.5
195.10202	0.8
203.07072	1.1
205.06689	0.5
205.08678	0.8
206.07417	0.5
215.06923	0.8
218.07161	0.5
219.08105	0.8
221.05769	0.5
223.07465	0.8
225.09074	0.5
227.07104	0.5
230.70892	0.5
233.04466	0.5
235.07526	0.7
237.09045	0.7
247.07617	0.5
251.07051	0.6
253.08464	0.7
259.11246	0.7
263.07037	0.5
264.07938	0.6
277.08536	0.8
279.06537	1.5
279.10208	0.6
281.11758	0.6
283.09531	0.7
289.08694	0.5
295.09601	0.7
297.11224	1.1
299.12802	0.7
307.06064	12.8
307.09500	0.7
308.06268	1.4
309.11136	0.8
313.10660	0.6
321.11200	0.4
325.10712	0.7
327.08658	1.6
327.12271	2.2
339.08636	14.6
339.12219	0.8
340.08856	1.6
357.09732	8.5
357.13889	3.6
357.18814	100.0
358.09805	0.7
358.19366	3.7
375.03815	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	357.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98240	0.4
65.03929	0.4
67.05487	0.8
69.07042	0.6
70.01740	2.1
73.83731	0.4
76.02213	0.9
81.07031	0.9
91.05476	4.7
95.04956	0.6
95.08581	0.8
98.16178	0.4
98.20793	0.6
107.04972	0.4
109.10152	0.5
119.04943	11.1
122.03590	0.5
137.05951	1.6
147.04404	39.7
148.04762	1.2
148.69901	0.4
166.69794	0.5
179.04921	0.9
179.14305	0.4
191.08408	0.5
218.07172	0.4
259.11133	1.2
277.08691	0.4
329.13782	0.9
343.62570	0.5
357.18805	100.0
358.19128	4.0
375.03745	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	357.1332
Annotation	Vitedoin A
Peak:m/z	Relative Intensity
55.01869	26.3
61.02950	2.3
61.37409	2.2
65.03937	3.7
67.05495	2.7
70.22440	2.1
71.39238	2.3
71.60417	2.4
71.60802	3.1
79.05498	6.9
81.03410	3.5
81.07047	8.6
91.05482	9.8
93.07019	4.6
94.04192	6.8
95.04967	7.0
95.08620	3.4
100.38223	2.4
103.05442	8.3
105.07027	9.0
107.04931	9.8
109.06506	7.6
111.04415	7.7
115.05453	8.4
115.46191	2.2
119.04919	2.5
121.06486	3.7
121.10183	2.4
122.03632	20.5
123.04452	2.4
123.46796	2.8
125.05959	4.1
129.07013	2.7
131.04930	7.7
133.06525	4.0
135.04416	3.1
137.05977	100.0
143.04903	4.9
144.05743	6.7
145.02831	6.0
146.03624	8.1
147.04375	10.1
149.05995	7.2
151.03868	8.8
153.05458	4.5
155.04906	6.8
159.07999	2.8
160.05261	3.5
161.05984	28.2
162.06740	9.3
165.05469	51.5
165.06888	4.9
171.04424	2.7
172.05135	3.8
175.07541	7.3
177.05466	19.3
178.07765	3.9
179.07030	2.7
179.08556	5.2
181.06509	3.4
185.05975	4.1
187.07570	4.6
189.07043	8.1
190.07753	13.2
191.08530	18.9
192.18063	2.5
194.07278	4.0
195.89803	2.8
201.06908	2.8
202.07745	6.2
203.07054	9.1
203.08723	2.9
204.07368	2.7
205.06531	5.8
206.07146	4.2
207.08038	12.5
208.08778	6.5
215.06996	18.1
215.93272	3.2
217.06467	6.2
218.07268	27.6
219.08046	40.9
220.08684	2.8
222.06735	4.8
223.07596	2.8
225.09030	3.6
229.06461	7.5
230.07306	3.7
231.08105	5.8
233.05791	3.6
234.06682	10.8
235.07474	24.5
236.08275	14.2
237.05486	4.8
237.09039	7.0
239.06886	2.7
239.10791	2.8
245.05920	3.1
246.06754	28.1
247.07492	46.5
248.08228	7.6
249.05397	5.4
249.09088	17.6
250.06195	2.6
250.09908	3.5
251.07034	6.6
251.10756	6.6
252.07784	5.2
253.08618	6.4
255.06583	3.0
257.06094	12.6
259.07629	4.8
260.08353	3.5
261.09088	36.8
262.06375	6.1
262.09616	2.5
263.07068	16.1
264.07828	19.1
265.08505	8.8
267.10147	5.5
269.08026	5.7
274.06259	20.3
274.09061	3.2
275.07022	18.2
276.07742	5.9
277.08591	31.8
278.09360	10.7
279.07178	3.8
279.10190	20.5
280.07175	4.0
283.09872	3.3
284.10425	3.2
285.10114	5.4
289.08569	55.0
290.09335	10.1
291.06494	7.7
292.07245	6.0
293.11548	4.0
294.08765	5.6
295.09674	6.6
296.10312	3.6
306.08862	11.9
307.09622	96.0
308.10193	8.3
309.07816	4.6
309.11160	17.4
321.11191	78.0
322.11496	2.9
324.10001	3.4
327.12274	27.8
339.12271	47.2
357.13290	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	357.133
Annotation	Larixnaphthaone
Peak:m/z	Relative Intensity
51.80947	0.3
55.01870	0.5
58.54546	0.2
65.03932	0.5
66.10211	0.2
67.05483	0.7
69.03391	0.3
70.77546	0.3
71.59527	0.4
71.59924	0.3
72.54585	0.3
79.05482	0.5
81.03400	0.7
81.07027	0.6
91.05467	0.9
93.07023	0.4
94.04177	2.2
94.76689	0.3
95.04964	0.3
95.08655	0.2
97.42082	0.2
97.46662	0.3
97.77104	0.2
99.94352	0.2
103.05434	0.3
107.04945	0.8
108.02087	0.2
109.02834	0.3
109.06472	0.3
111.04392	0.3
115.05441	1.4
117.07019	0.9
119.04900	0.4
122.03635	6.6
128.06219	0.4
129.06960	0.6
131.04892	0.4
137.05966	100.0
138.06322	1.6
141.05449	1.2
143.04906	6.4
145.06514	0.7
147.04408	0.3
147.08058	0.3
151.03896	20.7
151.04993	1.6
152.04149	0.3
153.01842	1.0
157.06509	0.4
160.05167	0.3
161.05984	0.7
163.07521	0.3
165.05487	0.3
167.06990	0.4
171.04442	0.3
175.07553	2.0
175.98158	0.3
177.05525	0.4
187.07559	0.4
189.05399	0.3
189.09082	0.4
191.07014	0.3
203.07024	2.7
205.08594	2.5
207.08107	0.3
215.07021	0.3
218.07262	0.4
219.08023	0.7
223.07693	0.3
247.07436	0.6
249.09003	0.3
252.93578	0.3
253.08768	0.3
264.07953	0.2
265.08429	0.3
267.10132	0.3
269.08127	0.2
279.10156	0.7
284.10574	0.2
307.09628	0.7
311.12817	0.5
321.11050	1.1
325.10635	0.4
327.12241	11.9
328.12622	0.5
339.12271	1.3
357.13287	19.2
358.13538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1179
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02362	0.2
51.83561	0.2
56.96548	0.3
57.03423	0.2
58.73825	0.2
66.16576	0.2
67.05500	0.2
69.03432	0.3
70.06577	0.2
71.59203	0.3
71.59583	0.2
79.05473	0.5
81.03388	0.2
81.07034	0.2
85.02889	0.8
86.09733	0.2
91.05463	1.3
94.04172	1.6
95.01319	2.0
97.02877	0.3
98.97618	0.2
103.05439	0.9
105.03372	0.3
106.79522	0.2
107.04955	0.3
113.02351	0.2
119.04942	1.2
122.03644	4.9
123.04398	0.6
129.01845	0.3
131.04938	1.2
135.04353	0.2
137.05971	100.0
138.06299	1.7
139.03889	0.6
141.01749	0.8
145.06410	0.2
151.07541	1.1
153.01826	0.4
163.03941	0.4
163.07538	2.0
167.03383	0.2
167.07030	0.2
177.03957	0.5
181.08578	2.0
195.02910	0.2
209.09616	0.2
226.98589	0.3
244.99615	0.2
307.09503	0.2
339.12143	0.2
357.11356	0.2
357.15622	1.0
381.06082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	10.7
57.03423	3.7
61.02913	5.6
66.40916	1.4
69.03413	4.1
69.42805	1.3
70.06564	1.5
71.04984	2.4
71.58628	1.6
73.02892	2.8
81.03394	1.4
84.08141	15.7
85.02897	9.1
95.01302	2.3
97.02873	4.6
98.97591	8.5
108.08140	7.6
110.97536	2.1
111.98269	1.4
115.02414	1.5
116.98629	5.1
119.01899	1.9
122.05996	2.2
123.06803	2.5
124.07545	2.1
127.03905	3.2
130.08575	2.3
133.01671	1.6
134.06007	9.0
134.99655	2.5
136.06165	3.4
136.07545	9.8
137.08360	2.6
138.05486	7.7
146.99611	3.0
148.03972	1.9
148.07521	9.8
149.01201	1.6
150.05493	9.7
150.09116	3.6
152.07048	27.6
153.07828	16.4
154.08508	2.2
158.55602	1.5
160.07593	6.1
162.05504	4.1
163.06302	2.7
164.07033	18.1
166.08636	13.2
168.03311	1.8
175.04485	1.7
176.07082	13.8
177.00682	1.7
177.04320	1.6
177.10219	10.0
178.04930	3.1
178.08611	13.4
180.06560	29.7
186.04398	3.7
186.05971	1.9
192.06564	19.3
193.07295	4.3
194.08110	68.2
196.09668	11.8
200.05911	1.6
202.08661	1.5
204.06616	8.8
205.03731	1.5
206.08746	1.4
208.06032	5.7
210.07590	1.9
218.08173	1.7
219.05261	2.7
220.06200	6.6
221.06815	8.0
221.09180	5.2
222.07629	56.1
223.04984	1.8
228.05464	4.6
232.05984	3.8
237.02841	3.0
240.08691	9.7
246.06284	8.3
249.53770	1.4
250.07094	88.0
251.07378	3.7
264.08591	2.7
267.09967	2.2
268.08301	8.1
268.26962	1.4
274.07098	5.0
280.08139	1.6
282.09686	7.9
292.08191	6.7
294.09686	2.3
297.10873	11.2
300.10703	5.4
303.09787	5.5
310.09192	54.2
314.12396	2.4
315.12341	8.8
321.10773	5.2
328.10263	36.6
339.11838	86.5
357.12894	100.0
357.16690	10.0
358.15176	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	357.0967
Annotation	Ophiopogonanone C
Peak:m/z	Relative Intensity
53.03926	1.4
55.01855	2.3
55.05495	1.7
56.96554	1.4
58.99568	1.3
65.03924	2.4
67.05502	5.7
72.90167	1.0
76.02219	6.0
78.20615	1.0
79.05492	3.2
81.03421	1.6
81.07057	6.8
83.08592	1.3
89.03924	2.0
91.05482	9.4
93.07024	3.5
94.04201	1.1
95.04974	2.6
95.08608	7.2
97.02900	1.5
102.04688	7.6
103.05455	4.1
105.03355	4.2
105.07022	12.7
107.01259	1.5
107.08566	1.1
109.10146	4.0
115.05422	4.5
116.01693	2.4
118.04157	5.3
119.04934	10.3
119.08576	1.4
121.02852	3.0
121.06454	1.7
123.04414	1.9
130.04126	12.3
131.04915	8.0
133.02867	7.7
133.06509	7.6
134.03633	6.2
135.04326	1.2
137.05974	13.7
137.06946	1.8
141.01709	1.1
141.07034	1.0
143.08414	1.0
144.01178	2.3
146.03618	64.9
147.04410	31.9
149.02361	5.4
149.03333	1.1
149.05983	3.3
150.03098	2.1
150.06712	2.0
151.03905	9.2
151.07588	2.3
151.14806	2.8
153.01773	1.1
157.69180	1.0
161.02336	19.9
161.05968	70.8
162.02058	5.0
162.06766	17.8
163.03880	2.5
167.07028	2.9
177.00439	1.5
177.01854	10.8
177.05429	2.6
178.02606	8.0
179.03395	100.0
179.04803	6.9
179.14296	3.9
180.03766	1.4
181.04971	1.4
187.07578	1.3
189.01837	3.6
195.08252	1.6
195.10162	3.0
195.85019	1.0
198.14725	1.2
198.83905	1.0
199.07533	1.1
203.07047	2.9
205.06541	1.7
206.07141	1.0
211.07579	1.4
215.03415	1.9
215.06949	1.4
218.07056	1.5
219.08075	1.3
222.06627	1.2
225.09094	2.2
233.04424	3.0
235.07565	2.1
237.09084	1.1
239.06996	2.2
246.06799	1.2
247.09909	1.3
250.06372	1.7
251.07018	3.2
253.08656	4.5
259.11029	1.5
263.06998	2.0
264.07904	1.4
265.08719	1.5
267.10165	2.2
269.11725	1.5
270.08984	1.5
277.08591	2.4
279.06500	9.7
279.09787	1.7
282.08688	1.2
283.09543	3.1
289.08691	1.2
295.09692	1.8
297.11194	5.4
299.12546	1.3
307.05997	56.7
307.09421	2.6
309.11209	1.2
313.10690	3.5
324.06424	2.4
325.10629	5.3
327.08618	7.7
327.12241	4.8
329.13800	3.9
339.08615	78.0
339.12134	3.2
357.09610	44.3
357.13516	6.5
357.18793	43.7
357.93417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.1
65.03934	1.0
69.42786	0.6
69.43201	0.1
70.39542	0.1
81.07061	0.1
84.04497	0.1
85.02875	0.1
91.05479	10.6
92.05815	0.1
93.07015	0.1
95.04963	0.1
96.75945	0.1
107.04916	0.1
111.19555	0.1
115.05473	0.1
118.04093	0.1
119.04941	26.2
120.05277	0.3
137.05957	1.0
147.04405	100.0
148.04732	1.1
151.03905	0.3
161.05934	0.2
167.07085	0.1
241.08655	0.3
253.08302	0.1
313.10626	0.3
327.12283	0.1
339.12250	0.1
357.13370	0.4
357.18750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01855	4.7
55.11810	1.3
56.96550	5.1
57.03419	3.9
61.02901	3.5
65.03941	1.3
67.05502	14.6
69.03428	9.8
71.01343	1.9
71.05000	3.0
71.58956	1.7
73.02898	4.0
79.05486	14.5
81.03393	5.1
84.04504	9.7
84.08129	2.1
85.02899	16.0
87.04454	2.9
91.05461	5.5
92.74414	1.3
94.06551	2.5
95.04353	2.2
95.04961	31.9
96.00844	2.1
97.02917	6.7
98.97560	2.9
99.04472	1.5
99.53670	1.5
101.02370	3.4
103.05430	3.1
103.29135	1.2
105.03378	2.3
105.04498	1.4
105.07005	6.9
105.28967	1.1
107.04932	7.7
109.02876	3.1
109.06509	1.1
109.96648	1.6
115.03919	2.9
115.05387	1.5
116.98605	3.1
117.05745	18.1
119.01896	2.2
120.02010	2.3
120.08086	4.7
121.01602	1.5
122.06036	7.4
123.03584	1.3
123.04436	18.2
127.03900	2.9
130.05005	2.2
130.06519	4.0
131.04919	2.4
131.07266	2.9
132.04433	4.5
132.08083	20.1
133.02846	2.7
133.05208	8.7
134.06090	1.2
134.99576	1.5
135.04352	2.4
137.08357	3.1
138.03033	1.2
138.05444	1.7
142.05037	1.7
143.03395	1.6
146.04483	3.7
146.06052	1.9
146.99637	2.3
147.06696	2.2
148.07578	46.7
150.05499	33.4
150.09128	2.2
151.03900	53.3
152.04312	1.9
153.01787	12.9
157.01279	2.5
158.06009	1.7
159.06540	5.4
160.07567	10.9
161.01157	1.6
162.05479	13.3
164.07089	2.9
166.08647	17.1
167.08998	1.4
168.06502	2.6
174.05492	1.8
176.07059	53.5
178.02527	1.7
188.05484	5.1
188.06989	2.1
189.00639	1.5
189.03963	2.5
190.04930	1.5
193.03355	1.5
193.46718	1.2
194.08125	48.8
196.05069	1.2
197.01195	1.5
202.04941	2.0
206.06544	3.0
208.06082	3.6
214.04886	3.1
237.02708	2.9
238.02554	1.7
260.05621	10.5
275.00372	1.2
277.44086	1.5
278.06580	3.6
296.03088	1.5
320.07678	6.8
338.08621	18.4
338.12329	2.1
356.09628	22.5
356.13437	100.0
357.13455	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	356.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
54.03459	0.5
55.01865	2.0
56.96539	1.0
57.03411	0.5
58.02948	0.8
65.03929	1.8
67.05502	18.9
69.03429	0.7
71.11472	1.5
73.02854	0.6
77.01374	0.5
77.03905	0.7
79.05488	12.2
81.03428	3.6
84.04469	1.6
85.02890	0.7
91.05464	1.6
92.05734	0.9
94.06565	0.6
95.04962	40.2
97.02903	0.6
100.03980	1.1
104.04979	0.6
105.03382	2.1
105.04494	0.8
107.04947	1.8
109.02859	0.6
110.02386	1.0
116.98635	0.7
117.07097	0.5
118.04986	1.8
119.04925	0.6
119.30489	0.5
122.03632	1.0
122.06032	0.8
123.04421	22.2
127.03874	0.9
128.03445	0.6
132.04396	0.6
133.02859	3.1
136.07539	0.6
137.05974	6.0
141.05420	0.9
142.04987	2.1
146.04443	1.2
147.04404	0.7
150.05482	1.2
150.96872	1.0
151.03894	100.0
152.04253	1.3
153.01807	4.1
153.11667	0.5
156.02913	1.4
160.06035	1.6
162.05501	2.2
166.00188	0.6
166.99997	0.8
170.04533	0.7
174.05553	0.8
175.05708	0.7
188.05540	5.1
192.06570	0.9
193.06822	0.6
194.04420	0.6
206.06606	6.4
208.06027	0.6
278.06528	1.9
338.08478	2.4
356.09552	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	356.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.6
53.03948	3.4
53.92723	0.4
55.01866	2.7
56.96559	3.4
57.03415	1.4
58.02947	1.1
58.66021	0.4
61.94152	0.4
65.03930	3.2
67.05500	28.1
68.99796	0.6
69.03410	1.3
70.47926	0.7
70.48267	0.8
71.01353	0.5
73.02900	1.6
74.02416	0.7
75.72139	0.5
77.03902	1.2
79.05064	0.9
79.05489	15.7
81.03412	4.9
83.01310	0.7
85.02896	8.6
86.02416	0.8
88.03906	0.4
91.05803	0.5
94.06567	0.6
95.04963	50.8
97.02885	1.2
98.97569	1.6
100.03970	1.3
101.02367	4.1
104.03506	0.5
104.04987	1.1
105.03395	3.2
105.04501	1.9
107.04938	4.3
109.02882	0.9
111.00780	0.8
115.03929	1.0
116.98634	2.0
118.04986	0.8
120.91475	0.4
122.03637	0.9
122.06041	3.4
123.04424	27.4
127.03878	0.6
128.03430	2.2
128.98669	0.6
129.01834	1.9
132.04422	1.1
133.02831	5.1
134.99640	1.3
135.00650	0.5
135.04482	0.7
136.02766	0.7
136.07619	0.5
141.05437	1.3
143.03386	1.0
145.05058	0.5
146.04469	9.8
146.99652	0.9
150.05493	12.5
151.03893	100.0
152.04251	0.9
153.01785	2.6
156.02953	0.8
157.01372	0.7
158.05945	0.8
160.06036	1.4
162.05524	1.2
164.05537	2.3
168.06583	1.6
174.03989	5.7
176.07082	1.0
178.07098	0.5
184.99016	0.5
188.05536	5.5
190.98546	0.7
206.06593	15.1
212.03085	0.9
219.01672	0.8
220.06073	2.3
223.01241	0.4
223.50885	0.5
237.02448	0.6
245.03233	0.5
248.05489	0.8
257.03250	0.7
276.83636	0.4
278.06613	1.9
306.06262	0.5
331.85150	0.5
338.08749	1.3
356.09760	9.5
356.16678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.8
55.01861	2.0
56.96537	0.8
57.03424	1.4
58.02952	0.5
65.03935	2.4
67.05501	21.5
70.13769	1.3
70.64729	0.4
79.05489	12.5
81.03402	3.4
84.04476	0.8
91.05769	0.5
94.06548	0.5
94.53683	0.4
95.04962	42.9
96.05336	0.5
98.20750	0.7
100.03957	0.6
101.02342	0.9
105.03386	2.7
105.04491	1.4
107.04932	1.6
109.02873	0.5
110.02406	1.7
116.03455	0.6
118.05015	0.6
122.03603	0.6
122.06020	1.2
123.04419	21.3
126.01879	0.8
128.03436	1.4
132.02957	1.0
133.02867	4.3
137.05980	0.5
141.05391	0.9
146.04482	0.9
150.05492	4.2
151.03894	100.0
152.04279	0.7
153.01767	0.8
156.02907	3.0
157.01324	0.6
158.04494	0.9
160.06044	0.9
168.06503	0.9
169.04924	0.4
174.03981	0.8
188.05521	29.6
189.03966	0.9
206.06590	4.9
250.20389	0.5
252.36490	0.4
338.08582	0.7
355.65842	0.5
356.09766	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	356.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
53.75875	0.7
55.01856	3.6
56.96555	4.6
57.03431	2.2
58.02950	1.3
61.02922	5.7
65.03922	2.7
67.05504	26.7
69.03423	2.3
70.06580	1.0
70.73624	2.5
72.08154	1.4
73.02908	2.2
77.03915	1.1
79.05493	13.7
81.03423	7.1
83.01340	1.5
84.08123	1.0
85.02903	8.9
94.06503	0.8
95.04967	46.7
97.02892	3.0
98.97556	3.3
100.03989	1.5
101.02383	3.8
105.03368	3.1
107.04937	6.6
109.02860	3.1
109.53302	0.8
113.02377	1.0
116.98618	2.2
118.05048	1.2
119.01904	1.8
120.02022	1.3
122.06026	2.5
123.04426	25.9
127.03940	2.9
128.03406	2.0
128.98611	1.4
132.04405	0.8
133.02823	4.7
141.05467	0.8
145.01643	1.6
145.04930	1.0
146.04454	8.7
150.01797	3.5
150.05486	12.8
151.03900	100.0
152.04172	1.3
156.02867	0.9
158.06081	0.8
160.06059	1.3
161.01041	0.9
162.05530	1.8
164.05554	2.2
168.06566	1.0
174.04001	4.9
175.02644	1.4
184.01205	1.3
184.55136	0.9
188.05525	10.0
193.00227	1.2
193.01805	1.1
205.00089	1.3
205.01924	1.0
206.06583	12.4
206.36859	0.8
207.53595	1.2
220.06010	3.5
226.02344	2.7
230.02512	1.3
235.02911	2.9
247.04843	1.9
278.06641	2.3
296.03073	0.9
338.08685	2.3
348.17731	0.7
356.09900	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	355.1723
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
64.65946	0.4
66.17413	0.5
68.87528	0.5
69.65273	3.0
169.96631	0.5
181.33812	0.5
182.15277	0.7
182.32680	0.5
201.03693	0.9
203.05263	0.6
203.84442	0.5
205.91687	0.5
210.14903	1.4
337.21347	0.5
355.17252	100.0
356.17776	2.8
372.95959	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1724
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.05499	0.2
56.96559	0.3
62.51683	0.2
63.39983	0.2
67.05496	0.3
69.07054	0.3
71.59955	0.3
79.05486	0.3
81.03428	0.2
83.30328	0.2
91.05475	0.3
93.07052	0.3
95.04988	0.3
95.08572	0.3
95.12252	0.2
97.06546	0.2
100.11186	0.2
105.07051	0.3
107.04997	0.2
107.08644	0.3
131.08508	0.2
137.05959	0.9
147.04454	0.3
151.03850	0.2
151.07547	0.3
153.01860	0.2
161.05937	0.4
175.07539	0.2
175.11038	0.2
182.99164	0.2
189.09004	0.2
193.12067	0.9
201.05496	0.9
203.05296	2.4
211.78357	0.2
234.06779	0.3
235.07547	0.2
239.06863	0.2
277.08557	0.4
290.05606	0.2
295.13391	0.2
299.77509	0.2
305.08191	0.5
309.11322	0.2
337.10730	0.8
355.17258	100.0
356.17636	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	355.2838
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05505	37.5
56.96553	3.5
57.03429	11.8
57.07072	14.4
65.51893	2.6
67.05499	80.9
69.07061	49.0
69.91637	16.0
70.06581	8.7
71.04994	3.1
71.08621	9.0
79.05482	34.0
79.06307	2.4
81.06571	5.7
81.07048	100.0
82.07397	3.5
83.04990	3.2
83.08604	36.3
85.06551	3.5
85.10157	3.7
88.07607	10.7
89.07935	3.0
91.05438	16.8
91.38873	3.2
93.07028	28.0
95.04967	2.7
95.08596	88.1
97.06519	13.2
97.10152	23.0
99.08080	3.6
103.03941	4.7
105.07040	15.1
106.08639	5.6
107.08588	23.6
109.10145	43.2
111.08083	5.0
111.11698	5.6
119.08575	18.2
121.10116	32.8
123.08069	2.9
123.11713	26.4
125.13306	4.0
133.10110	19.5
135.11678	15.2
137.13228	10.4
141.12689	3.9
147.11690	10.6
149.13255	15.0
151.14787	8.3
161.13210	16.8
163.14763	13.1
165.16399	8.7
167.14326	2.9
172.90802	2.6
175.14789	14.1
177.16347	4.3
179.14218	3.9
179.17918	3.9
189.16394	8.3
237.13124	2.5
245.22615	48.2
245.24933	4.3
250.30074	2.9
263.23688	49.2
281.24792	2.8
333.17502	3.1
337.27283	27.5
337.32993	3.6
355.28534	13.8
355.33972	57.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01864	1.5
55.05515	1.2
56.96559	2.4
58.69469	0.9
58.88792	0.9
65.03931	1.1
67.05501	1.7
69.07072	1.2
70.90021	3.4
73.04749	1.4
79.05502	3.3
81.03429	1.0
81.07047	2.3
82.31673	0.8
82.67853	0.9
83.04985	1.0
89.49303	1.0
91.05439	11.9
93.07030	1.3
95.05000	1.8
95.66847	1.0
97.06521	1.0
98.97600	1.3
103.05470	4.4
104.28053	0.9
105.07032	11.8
106.29945	1.1
107.04947	6.4
107.08587	1.8
107.76031	1.0
109.06518	1.7
111.04441	1.0
115.05487	4.6
116.98666	1.2
117.07037	4.0
118.04146	2.4
119.04962	4.6
119.08552	1.8
121.06524	3.6
122.03686	1.3
128.06209	4.2
129.07002	13.4
131.04913	11.4
131.08562	3.9
132.05701	2.1
133.06519	3.4
133.10138	1.2
135.08034	3.6
137.05971	14.7
144.05788	1.2
145.02892	1.5
145.06482	5.0
146.03630	3.5
146.07268	2.6
147.04430	5.0
147.08025	7.9
148.05182	2.1
149.05988	4.4
151.04057	1.1
151.07516	6.4
153.01814	1.1
157.06464	10.0
159.08081	2.1
160.05161	6.5
161.05977	100.0
161.09589	6.1
162.06473	1.9
163.07541	13.1
165.05573	1.5
165.07050	1.6
165.09155	4.9
167.07042	1.4
173.06006	1.6
174.06778	5.8
175.07541	64.3
176.07971	1.1
177.09128	1.7
178.07785	2.1
185.06027	3.4
187.07579	1.4
187.91003	1.0
189.07278	1.6
189.09100	29.9
190.07800	1.9
190.09514	1.0
191.07031	1.5
191.08595	3.6
193.08600	1.2
194.07320	1.0
195.07916	1.1
201.05496	2.7
202.07814	2.2
203.08589	1.2
205.06480	3.4
205.10127	1.1
206.07297	3.6
207.08195	1.9
207.10191	6.0
208.08815	3.4
209.09538	1.3
213.09137	1.5
215.08475	1.7
217.06499	1.6
217.10162	1.9
218.07281	2.7
219.07918	5.1
220.08908	3.2
221.05959	3.1
221.09628	2.7
222.06718	1.8
223.11147	2.0
229.00224	1.0
233.05975	1.3
233.09639	2.8
234.06754	7.7
234.10365	1.2
235.07510	3.6
236.08282	3.1
237.09087	1.6
238.10039	1.0
245.06032	4.0
245.09679	4.3
246.06737	1.7
246.10451	1.7
247.01158	0.9
247.07539	4.3
248.08298	3.3
249.05408	1.8
249.06555	1.1
249.09091	11.7
249.12860	1.5
250.09923	1.1
251.06909	2.4
251.10730	9.3
253.08569	1.6
255.12949	1.1
261.09259	1.8
262.06271	3.6
262.09848	2.6
263.07031	3.8
264.07813	3.8
265.08606	3.3
267.10220	1.6
269.04456	1.2
273.09116	1.7
276.07919	2.0
277.08606	11.2
277.12241	9.0
278.09247	1.7
279.06824	1.9
279.10159	10.3
280.10678	1.1
281.08133	2.8
283.13345	1.9
290.09409	1.7
291.10159	3.1
293.08133	4.0
293.11545	1.3
294.08768	2.0
295.09573	2.3
295.12909	1.4
296.10452	3.9
299.12625	1.0
305.11624	4.6
307.09799	1.6
308.10437	1.9
309.11115	12.3
309.14331	1.5
311.09140	1.8
311.12759	35.8
312.12991	1.3
322.11911	1.7
323.12823	4.0
337.14157	7.5
355.04013	1.7
355.08469	4.8
355.11700	4.0
355.15372	13.6
367.43729	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.9
56.96552	4.6
58.57052	1.5
58.76387	1.6
67.05493	2.4
69.03416	4.6
69.07041	1.9
69.94243	5.1
69.94650	2.4
71.96197	1.5
76.74158	1.3
79.05502	3.5
80.97081	1.4
81.07044	2.7
85.02898	4.1
89.04825	1.5
91.05449	16.7
93.07034	3.4
95.04974	2.1
95.08601	2.4
97.02877	2.2
97.06530	2.8
98.97542	2.0
99.63914	1.4
103.05453	4.7
105.07032	10.9
107.04963	8.0
107.08590	1.6
109.06531	3.3
111.04427	1.6
115.05441	4.5
117.07027	4.5
118.04161	2.4
119.04911	2.4
119.08582	2.6
121.06508	4.2
122.03626	1.9
123.04393	2.7
125.02383	1.5
125.99029	1.4
128.06190	5.6
129.07018	14.8
131.04919	13.9
131.08522	4.0
133.06511	2.7
135.08069	7.7
137.05969	16.7
145.02908	2.0
145.06464	6.8
146.03665	3.5
146.07347	1.8
147.04395	5.4
147.08034	7.4
148.05150	1.9
149.02367	1.9
149.05975	4.8
149.09692	1.6
151.03931	3.7
151.07559	7.1
153.01811	21.6
157.06544	8.9
159.08060	2.0
160.05220	5.9
161.05986	100.0
161.09619	6.4
163.07562	15.2
165.09106	4.3
173.05890	2.1
174.06741	5.2
175.03973	2.5
175.06006	3.1
175.07550	62.7
178.07730	2.8
181.08659	1.9
185.05894	2.1
187.07452	3.1
189.09102	29.4
191.03282	1.8
191.08545	3.0
193.06540	1.5
195.10106	2.3
199.07480	1.7
201.05406	2.2
202.07817	4.2
205.06509	3.9
206.07208	4.1
207.10170	6.7
211.09636	1.8
213.09129	2.5
217.10260	1.9
218.07248	3.7
219.08038	5.6
220.08743	2.7
221.01253	1.9
221.05923	4.4
221.09624	2.6
233.06073	1.9
234.06732	6.1
235.07497	4.7
236.08336	2.8
237.08934	1.8
245.05991	4.9
245.09637	4.2
246.10431	2.9
247.07603	4.2
248.08206	3.2
249.09128	12.8
251.06989	5.3
251.10626	8.0
261.09079	3.0
262.06281	5.7
262.09802	2.9
263.06979	3.3
264.07758	4.4
265.08542	4.0
266.09402	2.1
271.05997	1.8
273.15262	1.7
276.07718	2.0
277.08594	13.4
277.12231	9.0
279.06680	2.4
279.10132	9.6
280.10846	2.2
281.08157	3.3
290.09622	2.6
291.10086	4.0
293.08099	5.4
294.08905	3.6
295.09641	2.0
296.10327	2.6
305.08304	2.6
305.11429	7.6
308.10309	1.7
309.11075	11.1
311.09232	2.0
311.12793	40.6
323.12808	3.5
327.12131	3.7
337.10791	2.5
337.14279	10.3
355.08246	13.6
355.11731	7.3
355.15170	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	8.4
66.78580	1.1
69.03400	1.2
69.31033	12.0
73.04752	1.6
85.02886	2.1
91.05807	9.6
95.97567	1.2
98.21545	1.6
98.97562	2.5
116.98618	3.4
119.01941	1.5
123.04424	1.4
131.04900	1.7
134.99640	3.0
135.00635	1.1
138.73421	1.0
143.03400	1.1
145.86742	1.1
146.99771	1.0
151.03867	2.1
153.00732	1.6
153.01826	7.0
163.03906	4.0
166.25612	1.0
169.00168	1.1
178.05150	1.1
182.08231	1.0
185.04207	4.1
192.03929	12.7
193.01695	3.0
193.04695	8.7
211.02760	4.1
237.02785	1.0
237.06070	1.4
265.56259	1.1
268.97800	2.9
285.00967	2.1
303.02045	1.1
324.08142	2.9
325.08777	1.5
355.09998	100.0
356.10291	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	355.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01878	6.5
55.05483	2.9
56.05035	4.1
56.20555	3.3
56.96288	5.4
56.96564	96.5
57.80144	4.2
58.06589	3.5
59.06124	26.0
60.04526	23.2
67.05498	28.5
69.03449	4.8
70.06599	11.4
71.58836	3.1
71.59270	5.7
73.02950	4.0
73.04753	5.6
74.15903	3.0
74.97610	14.4
78.23949	3.1
78.96980	2.9
79.05500	17.9
81.03403	5.0
81.04543	5.9
83.06116	7.3
84.04500	9.9
85.02909	9.1
85.35410	3.6
91.05827	34.7
94.06561	3.9
95.04968	42.4
97.02889	5.6
98.97579	25.5
99.05579	9.9
101.02407	5.3
103.05449	10.4
105.03358	5.6
106.06552	4.5
107.04939	23.0
108.04446	3.2
111.00758	3.4
115.05463	4.1
116.98623	33.0
118.06575	4.5
119.04942	7.6
120.08091	3.4
122.06033	4.8
123.04450	27.9
129.06992	3.6
130.06589	4.4
131.04929	35.7
133.02791	4.4
133.06473	7.3
134.06007	10.8
134.99677	44.3
135.00691	7.0
135.04408	11.4
137.05995	4.6
145.06491	7.8
146.04478	7.1
146.06009	22.5
147.04401	14.8
147.06772	9.7
148.07573	20.6
149.05962	7.5
150.05481	16.2
150.99152	31.6
151.03897	100.0
151.05109	5.0
153.00706	10.5
153.01884	10.1
158.06041	7.8
160.07578	6.7
161.05937	6.4
162.05479	9.3
162.09152	3.2
163.03941	18.3
163.07539	6.7
164.07065	6.9
166.08594	6.7
169.00220	26.7
169.01488	4.9
171.06819	3.4
172.07599	6.1
174.00906	3.9
174.03984	4.8
174.05515	8.1
174.99043	5.8
175.08774	5.7
176.07106	6.7
177.05444	6.9
183.03323	6.2
184.99063	5.2
185.01077	3.5
186.05519	5.4
187.08731	7.5
188.07074	9.1
188.09413	10.2
189.05457	4.6
189.10165	4.2
190.04936	7.6
190.08640	4.1
193.00142	17.1
193.01750	40.0
193.05000	4.9
197.01132	4.1
200.07193	4.0
201.04375	10.1
202.04926	8.1
202.08624	3.9
204.06564	8.2
205.04985	8.2
206.06596	14.6
206.08328	5.7
206.10568	4.5
211.02789	89.8
217.09654	5.9
218.04649	3.9
220.06094	9.4
220.09647	4.9
222.07628	5.3
225.03325	5.1
228.06398	3.5
230.04388	3.9
232.06076	3.9
234.04514	5.3
234.07591	3.7
245.03322	7.0
247.10814	10.1
248.05499	6.2
248.98503	8.6
252.05353	3.7
255.01714	27.9
261.08459	5.0
262.15417	5.2
265.08829	3.9
265.11826	9.6
268.97797	9.4
269.03320	11.6
273.02792	11.3
274.07053	12.3
279.09747	9.3
285.00897	9.0
295.01349	7.8
297.02911	7.1
303.02145	5.8
313.02228	20.6
314.02536	4.3
314.08533	7.5
317.55350	3.8
328.10104	3.8
331.03360	10.1
337.10422	28.6
338.08652	9.9
351.31628	3.7
355.06525	37.2
355.11255	96.6
355.15558	5.5
356.09854	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	354.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
67.05476	0.6
69.03427	1.0
69.07056	0.9
70.75697	2.1
81.07044	0.6
82.49326	0.7
85.02895	3.2
92.89268	0.7
93.31633	0.6
97.02911	1.1
103.05463	14.2
116.98657	0.7
130.93633	0.7
131.04927	100.0
132.05229	2.8
137.05989	0.9
174.09210	1.5
175.07573	7.0
192.10182	39.4
193.10599	2.5
354.06436	0.7
354.14297	0.6
355.17255	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04372	4.4
54.98052	4.9
55.01866	6.5
56.96560	100.0
57.03430	22.6
57.25754	4.3
61.02924	24.2
69.03422	15.4
69.30624	51.2
70.98094	7.0
73.02915	15.5
74.97602	18.2
77.64904	4.1
81.03405	8.3
83.01342	9.9
84.04443	5.0
84.96039	5.0
85.02893	43.0
88.99158	9.8
92.87420	4.5
95.04967	5.7
97.02885	19.1
97.99213	7.5
98.21445	9.2
98.97563	23.6
107.04945	62.4
109.02895	7.9
110.97562	6.9
116.00232	19.3
116.98602	34.3
117.01863	10.5
118.01020	12.6
120.00797	5.9
120.29311	4.3
126.00783	8.2
127.01526	10.3
127.03912	15.0
128.98604	7.3
131.04858	11.4
132.00716	7.8
134.01279	43.5
134.03011	23.2
134.99681	28.3
136.01996	7.7
141.01271	9.3
146.99658	13.6
147.04347	5.1
149.05891	7.1
150.01801	13.4
150.99121	33.4
152.02284	12.8
153.01860	18.2
154.00247	9.2
154.02049	4.8
157.02612	13.5
158.99701	9.9
161.01161	12.5
165.00696	11.4
169.00282	14.3
171.03122	6.1
172.95168	5.8
173.02803	5.1
174.99251	5.6
175.00769	9.2
176.01538	5.7
177.00761	6.5
182.99506	17.8
183.01521	4.3
190.01184	6.4
190.98596	14.2
191.02098	13.4
192.03450	6.4
193.00192	16.3
193.01759	35.4
196.01337	8.0
197.02077	7.0
197.52101	4.9
198.98973	6.1
201.00662	6.5
201.04300	5.2
202.98721	7.4
203.02173	8.1
205.00140	6.4
205.01875	28.9
205.51958	6.9
206.02603	11.2
206.98044	7.4
211.02884	59.9
212.02853	6.5
213.97775	9.1
214.02345	25.8
217.00046	6.0
219.01625	5.4
220.02435	6.2
220.99658	4.7
223.01187	6.5
226.02357	14.8
232.99669	10.5
235.02843	51.3
237.02701	10.4
237.97771	5.3
246.53726	5.1
248.03606	7.7
250.03217	4.9
251.03043	19.4
255.01715	14.1
255.98666	10.3
261.02969	5.3
263.00760	9.0
269.03265	6.5
273.02856	11.0
280.84250	5.2
287.04343	4.9
295.01141	9.7
296.04324	6.0
313.02243	18.7
324.04080	5.8
331.03320	13.6
354.12015	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03957	1.6
55.05505	14.3
57.03432	6.8
57.07063	3.5
57.76781	1.0
62.67898	1.1
65.03938	3.0
66.71093	1.2
67.05499	97.0
69.07063	11.7
70.84532	3.2
71.04978	1.3
71.08591	1.2
75.04466	1.6
79.05486	39.0
81.07048	100.0
83.08625	6.4
85.06540	1.6
86.38262	1.3
91.05471	20.2
92.46624	1.3
93.07035	50.3
95.04981	3.0
95.08597	71.2
97.06522	2.8
97.10160	2.8
99.08082	1.9
101.62943	1.3
103.99068	1.2
105.07010	16.6
107.08584	35.7
109.10143	37.4
111.08136	1.9
113.09647	2.1
117.06989	6.2
119.08562	16.0
121.10129	27.0
122.31905	1.1
123.08014	1.3
123.11681	20.2
131.08539	18.0
133.10124	12.8
135.07990	1.2
135.11690	21.5
137.13249	9.3
145.10109	14.7
147.11664	10.2
149.13255	17.2
150.15143	1.2
151.14818	1.2
159.11700	11.3
161.13222	8.7
163.14838	10.9
165.12740	2.0
165.16342	1.3
173.13255	15.7
175.14806	2.4
177.16371	4.7
187.14792	8.6
191.14325	1.7
201.16428	2.9
205.15910	1.3
233.22610	3.6
243.21068	21.6
245.25743	1.3
255.21350	1.2
259.60239	1.2
261.22119	80.5
279.23053	6.5
317.24698	1.8
335.25702	10.7
353.26752	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.2
57.03431	3.8
57.07063	6.1
65.03942	3.1
67.05504	89.9
69.07077	9.5
69.36475	4.6
69.36884	11.3
71.04969	2.4
75.04502	1.9
79.05492	46.7
81.07056	86.6
83.04980	2.4
83.08617	6.1
85.06524	2.5
91.05476	26.9
93.07047	63.0
95.04951	4.3
95.08608	67.5
97.06519	3.8
97.10184	3.3
98.21576	2.3
99.08085	2.2
105.07024	19.7
107.08595	38.3
109.06529	2.0
109.10160	36.7
111.08109	1.9
111.13542	1.5
117.06997	7.8
119.08557	13.0
121.09299	2.5
121.10143	30.4
123.11709	18.6
125.09595	2.2
131.08572	20.6
133.10112	14.5
135.11711	30.1
137.13261	7.2
145.10115	18.9
147.11659	10.3
149.13258	24.9
151.14786	2.5
151.34480	1.6
159.11687	14.2
161.13260	9.2
163.14838	14.5
165.12766	2.8
173.13243	16.8
175.14864	4.5
177.16377	4.7
187.14847	9.6
201.16417	2.4
215.17892	1.7
233.22710	4.9
243.21091	24.5
261.22147	100.0
279.23132	5.0
281.10562	5.6
299.11624	3.3
335.25858	6.1
353.26764	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02406	1.8
53.03933	3.4
55.05509	10.5
57.03419	3.8
57.07064	4.9
65.03928	2.5
67.05501	85.0
69.07069	11.6
71.04971	3.6
71.59325	2.3
71.59704	2.6
79.05493	40.5
81.07050	88.5
83.08603	8.5
85.06526	2.3
91.05478	21.5
93.07034	59.7
95.04926	4.6
95.08598	67.2
97.06520	4.5
97.10132	2.2
99.08062	3.7
102.83823	2.4
105.07027	17.6
107.08586	35.3
109.06455	2.6
109.10150	36.3
111.08089	2.2
117.07043	10.2
119.08578	15.5
121.10143	32.2
123.08057	2.6
123.11706	18.5
131.08568	21.3
133.10109	17.7
135.11690	24.5
137.13242	6.8
145.10117	18.7
147.11681	11.6
149.13260	20.3
159.11673	17.0
161.13242	10.3
163.11154	2.3
163.14816	15.2
173.13281	18.9
177.16357	3.2
187.14801	9.1
193.05032	2.5
201.16351	3.3
233.22627	3.6
243.21021	22.2
247.73187	2.6
261.22122	100.0
262.22351	2.4
279.23157	3.8
335.25760	5.3
353.26761	29.3
353.46744	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
53.03950	3.4
55.05509	12.2
57.03428	3.9
57.07067	5.5
57.75074	1.3
62.82313	1.4
64.46273	1.4
65.03918	1.8
67.05499	81.6
69.07069	11.2
71.04987	3.0
71.08626	2.0
79.05486	43.3
81.07051	94.2
83.04977	1.6
83.08612	6.0
85.06527	2.4
91.05476	20.4
93.06569	0.9
93.07035	62.2
95.04964	4.5
95.08597	66.0
97.06533	2.3
97.10178	2.4
98.20770	5.7
99.08128	2.1
105.07011	16.4
107.08585	40.0
109.10152	37.7
113.09606	2.0
117.06996	8.3
119.08573	15.2
121.10142	33.7
123.11700	24.4
131.08559	25.1
133.10109	15.4
135.11682	30.1
137.09700	1.7
137.13223	8.7
139.11328	1.5
145.10120	18.3
147.11676	12.2
149.13246	23.2
151.11177	2.3
153.12730	2.1
155.80478	1.4
159.11722	14.1
161.13258	8.0
163.14787	12.7
165.12807	2.9
173.13255	14.8
175.14830	4.1
175.68365	1.7
177.12630	1.9
177.16432	3.9
179.14311	1.7
187.14812	9.8
201.16385	2.5
219.17400	2.1
229.43129	1.9
233.22675	4.1
243.21046	22.6
259.57568	1.5
261.22122	100.0
262.22379	2.6
279.23169	3.9
335.25790	6.1
353.26843	23.0
366.62979	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	2.1
55.05262	1.2
55.05507	15.5
56.05633	1.0
57.03439	6.7
57.07061	3.5
65.03927	3.7
67.05501	100.0
69.07062	12.2
69.37312	3.1
69.37735	6.1
71.04986	3.0
75.04458	0.9
75.74813	0.9
79.05488	40.7
81.07053	97.4
83.08610	7.7
85.06535	2.5
89.40916	0.9
91.05476	19.4
93.07041	50.0
95.04961	3.3
95.08601	75.1
97.06520	2.5
97.10158	3.7
99.08081	1.0
105.07030	15.8
107.07851	1.8
107.08585	36.4
109.06508	1.9
109.10149	36.9
111.08137	1.5
113.09637	1.2
114.31654	0.9
117.07039	7.5
119.08568	13.6
121.09307	1.9
121.10133	29.0
123.08047	1.6
123.11706	22.4
125.09669	1.1
129.06999	1.3
131.08562	20.6
133.10126	13.7
135.11685	26.2
137.09610	1.1
137.13232	9.0
139.11200	1.5
145.10123	13.0
147.11665	10.8
149.13255	18.9
151.11134	1.3
151.14857	1.5
159.11690	13.9
161.13245	9.3
163.14798	11.4
165.12717	1.4
173.13264	15.8
175.14832	3.4
177.12758	1.5
177.16397	5.2
179.14307	1.5
187.14824	9.4
192.97475	1.0
201.16354	2.6
205.15898	1.1
215.17926	1.1
219.17392	1.4
223.17038	1.1
233.22597	3.7
243.21059	19.1
261.22131	94.1
262.22372	1.3
279.23218	6.1
317.24634	1.0
335.25778	10.8
353.26868	26.0
366.91406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2683
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03954	2.8
55.01871	1.8
55.05508	14.0
57.03440	6.2
57.07074	4.0
65.03933	3.4
66.33273	0.7
67.05502	100.0
67.85163	0.8
68.05812	1.0
68.18828	0.7
69.07059	13.5
71.04994	2.5
71.08627	2.4
75.04473	1.9
79.05489	40.7
81.07054	98.0
82.07426	0.7
83.04980	0.9
83.08616	7.4
85.06548	2.4
85.10165	0.8
91.05477	21.6
93.07040	54.1
95.04951	2.5
95.08603	74.2
97.06503	3.5
97.10160	3.3
99.08107	1.9
105.04506	0.7
105.07030	14.6
107.08589	36.0
109.06488	1.6
109.10151	35.8
111.08080	1.1
113.09661	1.5
117.07016	7.9
119.08573	15.6
121.10137	30.1
123.08047	1.3
123.11699	21.0
125.09673	1.2
131.08554	18.4
133.10121	13.9
135.11684	27.0
137.09584	1.7
137.13251	7.1
142.02419	0.7
143.08521	1.1
145.10115	14.3
147.11685	13.3
149.09631	1.5
149.13255	19.5
151.11206	1.1
151.14796	2.3
153.12752	1.6
159.11685	13.2
159.20667	0.7
161.13237	7.2
163.14816	10.0
165.12746	1.8
167.14227	0.7
173.13242	16.8
175.14832	4.1
177.12788	1.0
177.16373	4.9
179.14238	1.0
187.14819	8.4
189.16356	1.0
191.14299	1.0
201.16359	3.3
205.15895	1.7
206.16405	0.8
209.15227	1.0
219.17480	1.3
233.22557	4.4
243.21066	20.4
261.22131	87.5
262.22430	2.8
263.23627	0.9
279.23224	6.8
317.24973	1.5
335.25781	11.0
349.82230	0.8
353.26865	23.2
354.27194	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0845
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
53.82705	1.4
56.96537	1.7
69.03407	1.4
70.11728	6.3
70.66785	1.3
85.02897	3.1
88.73215	1.5
98.97586	1.9
153.18092	1.3
161.02928	1.7
203.03984	2.2
208.99628	3.5
232.99701	1.7
245.05046	3.3
309.08722	1.8
312.52557	1.4
353.08438	100.0
354.08661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42579	2.4
56.96289	5.6
56.96560	86.8
57.03414	2.9
63.50388	2.5
65.13956	2.3
69.03420	8.5
70.79008	9.4
72.93785	6.1
73.02907	2.8
73.37931	2.4
74.02428	2.7
74.97601	11.9
81.03404	3.2
84.96024	3.5
85.02892	10.1
90.94830	4.7
91.05502	2.8
92.98684	3.8
97.02888	7.6
98.97582	9.0
99.00705	2.6
107.04958	17.5
107.40972	2.8
113.96387	3.5
116.98613	16.2
120.04441	2.6
123.04389	6.7
123.78296	2.5
132.98076	4.5
134.99620	13.7
137.05954	3.5
139.03877	3.3
144.13818	7.5
146.05984	4.6
146.99646	2.9
147.04355	5.2
150.99167	19.0
152.41957	2.7
153.00706	3.6
156.29303	2.9
162.05507	56.9
163.00658	8.6
164.07048	5.3
165.99406	4.3
169.00214	13.9
179.00145	3.7
180.99463	9.4
181.01706	28.8
182.01875	2.6
182.99608	8.3
184.00458	20.3
185.01154	8.6
190.04968	68.8
190.14401	11.6
191.00060	4.9
191.03407	3.2
193.81541	2.6
197.01233	12.4
198.01563	3.3
199.00902	3.5
199.02783	29.2
202.01410	4.4
205.00073	3.0
208.98956	12.9
209.01213	18.8
209.02937	3.8
215.02232	6.0
217.03838	8.9
220.11931	3.0
221.97595	3.5
225.00687	6.4
225.54869	3.4
227.02243	100.0
228.02470	4.0
234.99245	2.5
241.00221	11.4
245.03319	30.4
253.00140	52.2
253.02641	3.3
254.00699	4.1
267.01813	3.5
270.98367	5.1
271.01202	75.2
283.01410	2.7
285.02832	12.0
289.02341	15.6
294.02899	2.9
308.02115	3.1
311.00705	18.6
329.01761	20.8
344.42508	2.6
347.02731	5.6
353.08456	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	352.011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93518	5.3
56.94299	4.9
56.96558	5.3
57.03447	2.9
61.02927	1.9
69.03430	3.8
69.62103	1.1
70.06598	1.5
70.95854	5.1
71.58680	1.4
72.93781	26.2
73.02898	2.2
79.05486	1.7
81.03416	3.0
83.04971	2.8
85.02901	8.8
88.96896	2.3
90.94818	16.6
91.05472	2.0
95.04958	4.0
96.08118	3.8
97.02868	3.0
98.97574	5.1
105.07003	1.4
107.04945	96.8
108.05222	2.6
108.95858	4.5
111.04465	1.5
113.96407	15.4
116.98583	3.4
119.04980	3.3
121.02829	3.1
123.04473	1.7
127.03910	1.6
128.96330	2.1
128.98567	2.0
131.04964	2.4
131.97427	10.5
134.99661	1.8
135.04402	8.2
142.97929	2.2
144.95815	11.4
146.97357	1.7
146.99631	1.6
147.04335	2.6
149.05966	1.4
150.96896	1.6
152.96288	2.4
153.01874	2.7
157.04973	1.3
158.99603	1.6
161.01228	1.3
162.05566	2.5
162.96898	12.6
162.98386	3.8
163.84265	1.4
166.97858	6.2
170.97408	2.6
171.96965	1.6
173.07544	1.3
178.97920	7.3
180.99449	78.8
184.98999	4.4
190.02541	2.2
190.05034	1.5
190.08630	5.6
191.03745	1.7
192.99619	1.8
193.01727	1.4
194.97386	13.3
195.04993	3.5
196.05219	2.9
196.98988	9.1
198.96864	1.3
199.00502	19.9
200.98439	1.5
201.00787	2.2
204.04805	1.8
206.97321	2.0
207.03380	1.8
208.03694	1.8
208.98946	100.0
209.99234	1.7
211.02779	1.5
211.97668	6.1
212.98430	12.5
213.06064	1.5
218.06090	2.4
219.01714	1.9
220.99001	1.3
222.02345	2.6
224.98465	1.9
225.70821	1.3
227.00070	7.7
227.02039	1.4
229.98798	8.0
232.00467	1.9
237.02821	1.4
239.00064	5.5
240.05780	2.4
250.09081	1.4
254.99516	2.0
261.02875	1.2
262.01602	2.1
266.99463	10.1
270.98883	7.0
285.00452	9.0
288.99976	1.4
290.01062	19.2
297.04520	1.5
308.02100	12.9
310.98505	4.4
328.99496	6.3
331.03607	1.8
352.13852	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42139	1.5
55.93525	6.0
56.94289	2.1
56.96559	8.1
70.95852	4.1
72.93784	28.7
73.55721	1.6
79.05474	2.1
81.03414	3.7
84.08085	1.7
85.64940	2.1
88.96900	2.1
90.93668	1.5
90.94828	15.0
91.05476	2.3
95.04937	2.5
96.05615	2.2
98.20719	4.7
98.97597	2.2
103.05474	1.5
107.04951	88.5
108.05812	1.9
108.95852	5.7
113.96405	13.9
116.98521	1.8
119.04973	3.0
121.02853	4.9
123.04456	3.7
131.04970	2.0
131.97423	13.2
135.04445	7.6
137.05923	1.6
140.96204	2.0
142.97897	1.7
144.95836	11.4
146.05977	1.7
147.04411	2.0
152.96385	1.6
153.01843	4.2
162.05426	1.6
162.96878	14.5
162.98384	5.9
166.97887	6.2
170.06010	1.7
170.97479	2.1
178.97963	10.8
180.99464	80.5
184.98984	5.7
194.97369	11.9
196.98991	7.7
199.00529	23.5
206.97411	1.8
208.98955	100.0
211.97688	3.6
212.98457	10.9
215.02037	1.7
220.98981	2.7
222.02083	2.1
224.98422	2.8
226.99973	6.1
227.02113	2.4
229.98763	8.1
238.99988	6.1
248.98457	1.9
254.99548	2.6
262.01550	3.8
264.97952	3.3
266.99500	11.8
270.98917	8.9
285.00522	12.2
289.00116	2.1
290.01086	20.5
308.02164	12.5
310.98459	5.6
328.99533	6.5
334.11273	2.2
352.06378	3.5
352.11481	4.7
356.09128	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.8
55.05505	16.7
56.96569	1.6
57.03435	9.1
57.07074	2.5
65.03912	2.0
67.05502	57.4
67.51996	1.2
69.07069	18.4
69.62559	10.9
71.04983	4.5
75.04460	2.6
79.05489	64.3
81.07052	57.7
83.04990	2.7
83.08614	8.6
85.06543	4.2
91.05476	47.9
93.07038	100.0
94.07364	1.7
95.04958	9.5
95.08604	45.6
95.10524	1.5
96.08977	1.8
97.06528	3.4
97.10178	2.0
99.08066	3.7
105.04520	2.8
105.07024	55.7
106.07317	2.0
107.07861	2.9
107.08592	58.0
109.06533	3.6
109.10152	13.4
111.08100	1.9
113.09679	1.8
117.07019	12.7
119.08577	51.6
121.10136	45.1
123.08081	2.3
123.11697	4.3
125.09633	2.0
129.07010	9.6
130.07784	1.8
131.08553	19.8
133.10118	43.9
135.08057	2.2
135.11687	44.1
137.09645	2.8
139.11125	2.5
143.08553	8.8
145.10098	22.5
147.10513	2.4
147.11684	49.1
149.09625	3.8
149.13249	31.8
150.13695	1.5
151.11221	2.6
156.48363	1.6
157.10144	8.4
159.11688	18.7
161.13261	35.9
162.13499	1.6
163.11172	3.8
163.14828	9.6
163.23500	1.6
165.12698	2.3
169.10147	1.5
171.11679	13.8
173.13298	10.1
175.11182	2.8
175.14828	17.8
177.12781	4.6
185.13245	13.2
187.14851	4.6
189.12750	4.0
199.14775	6.7
203.14418	2.4
203.39883	1.5
209.13245	1.8
213.16409	5.4
215.17976	2.2
217.19479	1.6
221.15192	2.1
231.17548	3.2
231.20996	9.1
241.19502	40.4
242.19693	1.6
259.20557	95.8
260.20956	5.5
269.10638	1.8
277.21603	16.0
333.24265	7.4
351.25308	63.6
352.25604	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	351.2889
Annotation	Plakorsin B
Peak:m/z	Relative Intensity
53.80754	0.7
55.05307	0.5
55.05508	5.6
57.03391	0.5
57.07054	2.3
57.85943	0.5
67.05492	1.1
69.07063	4.8
71.08617	1.2
71.59625	0.6
75.62247	0.5
79.05472	2.5
79.14052	0.5
81.07053	1.7
83.08607	1.8
91.05494	1.0
93.07036	1.1
95.04967	0.8
95.08659	0.7
95.84608	0.5
97.06535	0.5
97.10174	1.3
107.04961	4.2
109.06512	1.6
110.03646	0.6
123.04420	1.2
125.05988	2.8
131.79263	0.5
137.05969	100.0
138.06287	1.8
151.07523	3.5
219.15585	0.5
263.44467	0.5
315.04034	0.6
330.04245	0.5
333.27859	19.8
334.28238	0.9
351.24878	0.8
351.28961	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.8
55.05505	16.7
56.96569	1.6
57.03435	9.1
57.07074	2.5
65.03912	2.0
67.05502	57.4
67.51996	1.2
69.07069	18.4
69.62559	10.9
71.04983	4.5
75.04460	2.6
79.05489	64.3
81.07052	57.7
83.04990	2.7
83.08614	8.6
85.06543	4.2
91.05476	47.9
93.07038	100.0
94.07364	1.7
95.04958	9.5
95.08604	45.6
95.10524	1.5
96.08977	1.8
97.06528	3.4
97.10178	2.0
99.08066	3.7
105.04520	2.8
105.07024	55.7
106.07317	2.0
107.07861	2.9
107.08592	58.0
109.06533	3.6
109.10152	13.4
111.08100	1.9
113.09679	1.8
117.07019	12.7
119.08577	51.6
121.10136	45.1
123.08081	2.3
123.11697	4.3
125.09633	2.0
129.07010	9.6
130.07784	1.8
131.08553	19.8
133.10118	43.9
135.08057	2.2
135.11687	44.1
137.09645	2.8
139.11125	2.5
143.08553	8.8
145.10098	22.5
147.10513	2.4
147.11684	49.1
149.09625	3.8
149.13249	31.8
150.13695	1.5
151.11221	2.6
156.48363	1.6
157.10144	8.4
159.11688	18.7
161.13261	35.9
162.13499	1.6
163.11172	3.8
163.14828	9.6
163.23500	1.6
165.12698	2.3
169.10147	1.5
171.11679	13.8
173.13298	10.1
175.11182	2.8
175.14828	17.8
177.12781	4.6
185.13245	13.2
187.14851	4.6
189.12750	4.0
199.14775	6.7
203.14418	2.4
203.39883	1.5
209.13245	1.8
213.16409	5.4
215.17976	2.2
217.19479	1.6
221.15192	2.1
231.17548	3.2
231.20996	9.1
241.19502	40.4
242.19693	1.6
259.20557	95.8
260.20956	5.5
269.10638	1.8
277.21603	16.0
333.24265	7.4
351.25308	63.6
352.25604	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01852	2.2
55.05507	15.0
56.19587	1.2
56.96552	1.3
57.03422	4.9
57.07069	3.0
65.03920	2.5
67.05167	2.1
67.05499	38.5
68.89281	1.4
69.07061	13.6
71.04979	4.2
71.08620	2.9
71.12415	1.9
71.12732	1.6
75.04462	1.8
77.03952	1.4
79.05488	54.8
81.07050	44.3
83.04936	2.0
83.08612	4.9
85.06537	1.8
91.05469	51.9
92.32242	1.2
93.07038	64.0
95.04976	9.3
95.08596	31.7
97.06512	2.9
97.10177	2.4
99.08090	6.1
105.04491	2.0
105.07021	53.7
107.04908	1.3
107.08585	36.3
109.06497	1.3
109.10162	11.3
115.05510	1.8
117.07008	14.3
119.08570	53.5
121.06496	1.4
121.10134	29.1
123.08033	1.9
123.11719	3.2
128.06218	1.4
129.06999	9.0
130.07712	1.6
131.08533	18.2
133.10121	46.0
135.11688	28.9
143.08580	8.1
145.10117	20.0
147.11673	44.3
149.09525	2.7
149.13255	20.1
151.11166	1.6
157.10109	8.0
159.11681	19.0
161.13243	38.3
163.11201	3.8
163.14801	7.7
165.12703	1.6
171.11676	13.1
173.13261	9.6
175.11230	2.3
175.14816	18.4
177.12772	2.4
177.16412	1.6
179.14323	4.3
185.13286	12.4
187.14781	2.5
189.12712	2.7
189.51057	1.4
199.14813	7.4
203.14352	1.7
213.16417	4.3
213.46841	1.2
215.17957	1.8
217.19527	3.1
231.17419	2.4
231.21042	10.6
241.19493	32.3
244.78363	1.2
259.20554	100.0
260.20828	3.2
277.21561	7.0
333.24182	2.3
351.25293	55.5
351.29572	3.0
352.25671	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66657	2.1
53.03936	4.2
55.01863	3.7
55.05503	16.9
56.96558	3.7
57.03423	6.0
57.07068	4.3
65.03923	2.2
65.54863	1.6
67.05501	48.4
69.07069	11.4
70.56144	6.3
71.04997	3.0
71.08600	2.8
72.08147	2.0
73.70529	1.7
75.04469	2.7
77.91046	1.6
79.05486	57.4
81.07053	45.6
83.04940	2.1
83.08621	8.9
85.02852	2.6
85.06531	4.6
91.05471	62.2
93.07039	70.6
95.04968	9.3
95.08599	34.1
97.02905	1.7
97.06521	3.9
97.10143	2.4
98.97559	1.6
99.08102	5.2
105.07020	63.6
107.08589	46.1
109.10124	14.0
111.08076	2.6
113.09577	2.3
117.07004	14.8
119.08571	57.2
121.06521	2.5
121.10133	33.6
123.11694	3.0
128.06194	3.0
129.06985	10.3
131.08574	24.0
133.10127	48.7
135.08040	3.0
135.11682	32.5
141.06909	1.8
143.08556	9.4
145.10123	20.3
147.11670	48.7
149.09708	2.3
149.13240	22.2
155.08604	1.9
156.98473	1.7
157.10120	10.6
159.11673	22.4
161.09613	3.8
161.13254	40.8
163.11185	5.0
163.14803	6.3
165.12715	2.7
169.10159	2.4
171.11649	14.3
173.13248	10.7
175.11266	4.6
175.14810	20.8
177.12776	3.3
185.13245	12.0
187.14687	3.5
189.12677	3.3
189.16469	2.3
191.14343	2.7
199.14781	8.3
206.20753	1.9
213.16426	4.8
217.19453	4.8
231.17378	2.5
231.21021	7.6
241.19521	33.9
259.20560	100.0
260.20920	2.5
277.21619	5.5
285.09988	2.3
333.24005	4.0
341.66150	2.3
351.25366	50.0
352.25586	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.9
55.01862	1.7
55.05505	17.7
57.03436	7.6
57.07051	3.6
61.02914	1.6
65.03915	2.6
67.05497	46.0
69.07063	16.4
69.42117	3.5
69.42523	9.0
71.04980	3.5
71.08630	1.9
75.04461	3.1
77.03867	1.7
79.05488	68.4
81.03402	1.9
81.07051	64.0
83.04975	2.0
83.08614	10.1
85.06532	4.5
88.06658	1.1
91.05474	57.5
93.07034	97.9
94.07346	1.4
95.04949	6.2
95.08598	37.7
95.88528	1.4
97.06503	2.4
97.10133	3.5
99.08073	3.7
105.07021	55.6
107.07851	3.0
107.08585	53.6
109.06499	3.0
109.10139	14.8
111.08031	1.7
113.09670	1.5
117.07021	13.9
119.08565	61.1
121.06445	1.9
121.10133	46.2
123.08041	1.8
123.11715	3.6
128.06227	1.8
129.07001	9.8
131.08559	22.9
133.10118	47.5
135.08003	1.8
135.11682	39.7
137.09647	1.5
142.07776	1.9
143.08559	9.4
144.17134	1.3
145.10118	21.0
147.11684	49.9
149.09590	2.9
149.13249	28.5
151.11143	1.7
157.10120	9.0
159.11676	17.3
161.09653	1.9
161.13234	38.7
163.11241	2.7
163.14827	11.8
171.11665	16.4
173.13271	13.0
175.11154	2.3
175.14810	22.0
177.12804	3.5
179.43578	1.3
181.12286	1.4
185.13252	12.0
187.14809	4.1
189.12712	2.9
199.14833	8.6
203.14461	2.2
213.16391	4.9
217.15976	1.6
217.19516	4.8
231.17441	3.1
231.21078	10.8
241.19485	43.0
248.41682	1.6
259.20554	100.0
260.20862	2.7
274.48349	1.6
277.18576	2.4
277.21567	16.3
333.24091	10.0
351.25281	72.1
352.25552	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.4
53.03937	4.4
55.01866	1.5
55.05510	22.4
56.24437	1.2
56.79794	1.4
57.03434	8.2
57.07064	4.4
65.03928	3.2
67.05500	51.8
68.89285	1.3
69.07063	18.2
70.19701	5.4
71.04980	4.8
71.08613	2.9
75.02426	1.2
75.04473	3.5
79.05486	72.3
80.90942	1.1
81.03389	2.0
81.07051	61.5
83.04971	2.9
83.08615	9.3
85.02898	1.7
85.06525	5.4
91.05473	57.4
91.45272	1.3
93.07040	100.0
94.07383	1.4
95.04960	8.1
95.08600	46.9
97.06524	5.6
97.10165	3.0
99.08099	6.6
105.07022	59.6
107.04991	1.2
107.08587	55.5
109.06507	3.7
109.10125	16.8
115.05387	2.2
117.07008	15.3
119.08579	55.2
119.09439	2.9
121.10133	45.7
123.11703	5.3
125.09628	2.2
129.05452	1.7
129.07036	9.4
131.08559	27.8
132.34569	1.5
133.10123	48.0
135.08096	3.2
135.11685	43.9
137.09624	2.1
143.08539	12.4
145.10112	24.0
147.11681	49.5
149.09651	2.5
149.12167	2.4
149.13260	31.2
151.11172	1.7
157.10118	10.4
159.11687	19.5
161.13249	39.2
163.11208	4.6
163.14784	7.7
165.12708	1.5
171.11642	15.8
173.13263	13.5
175.11079	3.2
175.14827	21.3
177.12741	4.0
179.14279	8.3
185.13263	13.9
187.14799	4.4
189.12720	2.2
195.13789	2.1
199.14726	8.5
201.16393	1.6
203.14371	2.9
213.16414	3.9
215.18008	2.2
217.16005	2.2
217.19531	5.1
221.15343	2.0
231.17462	1.8
231.21111	8.2
235.16937	1.4
241.19513	39.8
242.19908	2.3
259.20557	93.7
260.20966	3.4
269.10706	1.5
277.21616	18.0
333.24036	8.6
351.25317	60.3
352.25589	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	351.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.6
55.05497	4.0
56.96561	3.2
57.03444	2.8
67.05505	2.1
69.03436	2.7
69.07069	2.4
70.39494	3.4
70.39893	5.9
79.05479	3.5
81.03405	2.2
81.07063	1.7
83.04977	2.9
85.02895	1.8
87.77538	1.5
91.05471	5.5
92.12671	1.9
93.07017	4.4
95.04976	2.2
95.08594	2.6
97.06537	9.1
98.97612	2.5
103.05459	4.2
105.07024	4.1
107.04929	2.9
107.08577	4.8
115.05436	10.4
116.98615	2.5
117.07014	3.4
119.08605	1.7
121.02892	8.4
121.10156	2.0
123.04414	9.2
128.06190	2.4
129.07021	4.5
130.07802	1.5
131.04924	8.3
131.08566	2.2
133.06459	2.7
134.99677	2.3
141.06987	2.1
142.07777	4.2
143.04903	15.0
143.08595	2.7
145.06476	3.6
147.04420	7.6
148.05183	1.9
149.05969	8.7
149.09547	2.0
152.06198	2.2
153.06992	2.4
155.04893	3.9
155.08517	11.2
157.06496	1.9
157.10118	4.8
159.04395	3.3
159.08005	2.1
160.05214	5.2
161.05971	32.4
163.03912	4.5
163.07642	1.8
165.06993	3.8
167.08600	6.8
168.05722	5.6
169.06403	1.6
169.10138	4.1
170.07292	1.7
171.04320	1.7
173.05969	22.5
174.03154	2.6
174.06735	3.6
175.03912	5.6
175.07481	3.6
176.04610	2.9
177.05467	7.0
181.06409	2.0
183.08018	13.8
184.05090	1.8
185.05917	3.4
185.09619	7.3
186.06778	2.8
187.03905	18.2
187.07487	9.0
189.05455	15.1
189.09090	3.3
189.29489	2.0
191.03423	3.4
191.10689	2.9
193.04907	2.7
195.07997	9.6
197.09654	2.7
200.04704	7.0
201.05396	5.7
201.09096	30.9
202.09709	3.8
203.03368	3.0
203.10643	27.5
205.12265	2.0
207.02919	2.8
211.07568	6.5
213.05531	3.2
213.09081	11.5
214.06229	4.4
215.06924	2.2
215.10683	10.6
217.05045	8.0
219.10204	2.3
223.07347	2.3
223.09235	4.6
223.59464	1.7
225.09111	2.9
229.08578	100.0
230.05763	2.0
230.09009	5.4
231.02936	12.0
231.10130	12.0
233.11771	6.7
235.02209	2.3
241.08665	10.4
243.10097	10.9
245.04536	2.7
249.03926	4.5
259.09659	40.7
261.11203	21.7
269.08069	7.7
277.10727	2.5
283.12213	2.2
287.08990	11.4
302.10175	2.2
305.10178	33.0
307.19916	2.1
346.18909	1.7
351.10666	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00000	2.2
56.96567	2.3
60.76230	2.2
61.33195	2.5
69.81262	5.4
69.81685	8.4
98.20782	2.4
101.00871	8.7
103.02409	12.1
106.69190	2.6
108.38160	2.4
113.00861	4.4
115.02443	4.3
118.01070	2.6
119.01917	37.1
121.03461	9.5
127.02407	8.7
128.11681	2.0
129.00319	2.8
131.01892	15.8
133.03470	36.1
137.02937	4.8
138.49681	2.7
141.97928	2.4
143.01886	27.5
145.03468	55.3
147.01382	16.4
151.04498	20.5
155.01869	21.8
157.03462	31.7
159.05037	3.9
161.02954	33.7
163.04555	10.5
169.03441	3.4
171.01456	5.0
173.02951	42.2
175.04530	45.7
185.02954	25.5
187.04552	30.2
189.02420	8.7
191.04013	4.5
203.03999	93.3
205.05608	3.2
212.93274	3.4
215.03989	20.6
217.05551	3.7
221.05063	23.8
227.03860	3.7
230.94441	5.8
231.03618	2.6
245.05074	93.3
246.05251	3.1
246.92557	5.8
261.04517	3.1
262.44226	2.6
263.06110	100.0
264.06528	3.1
273.04541	7.7
279.05606	10.4
291.05609	44.1
294.98151	3.0
300.94937	2.8
308.87750	4.5
309.06635	64.4
326.88623	3.2
326.99725	4.2
341.34763	2.6
351.07666	69.0
352.07953	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32635	1.2
56.96546	2.5
67.73085	1.2
69.81562	5.3
82.99850	3.6
85.01409	3.3
97.02914	2.1
98.21456	1.8
101.00865	18.1
103.02442	20.5
105.00356	1.4
107.68728	1.2
112.84032	1.1
113.00847	5.0
115.02381	6.8
117.04005	2.2
118.01131	2.4
119.01917	43.0
120.02036	1.6
121.03468	8.1
127.02397	10.6
129.00323	2.8
129.03983	1.7
131.01906	25.2
133.03458	56.0
134.03627	1.9
135.05006	1.4
137.02951	6.6
139.02367	2.9
143.01888	25.5
145.03453	64.0
146.03607	1.9
147.00334	1.8
147.01387	24.8
147.04945	1.6
149.02986	3.3
151.04527	21.9
155.01880	22.5
157.03455	33.4
158.03436	1.7
159.01514	2.0
159.05054	5.5
161.02946	34.8
161.04301	1.7
163.04510	9.8
165.02484	3.3
169.03433	3.8
171.01360	5.4
173.02953	54.9
174.03670	5.6
175.04520	49.7
176.04662	1.6
177.06117	1.8
185.02927	35.0
187.04500	32.0
189.02432	11.8
191.03972	5.3
199.04372	1.6
203.03993	91.7
204.04176	2.9
205.05521	2.6
207.03426	2.4
215.04010	18.6
217.05492	3.9
221.05040	22.4
226.05675	1.8
227.03918	3.0
231.03438	2.1
233.05000	1.9
245.05058	85.3
246.05266	2.3
249.04478	1.4
256.97522	1.6
263.06110	100.0
264.06219	2.6
273.04520	7.9
279.05554	4.3
291.02368	2.9
291.05588	40.5
304.90125	2.7
308.87561	2.4
309.06635	58.5
310.06802	3.0
318.88629	1.6
326.88553	1.7
351.07663	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1343
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
50.74796	0.2
51.02367	0.2
51.66072	0.2
52.36995	0.2
53.03938	0.9
55.01867	1.3
57.03435	2.9
60.47714	0.2
61.02924	2.3
69.03424	7.5
69.80067	0.5
69.80488	0.9
71.01341	1.1
71.04983	2.6
71.48608	0.3
73.02936	1.1
81.03419	1.5
87.04452	0.3
89.73341	0.2
91.05479	0.9
97.02872	0.4
99.04447	2.7
102.84164	0.2
116.05019	0.3
117.05520	0.8
118.06522	3.4
120.08118	0.4
131.05917	0.3
132.06827	0.4
132.08080	0.9
137.34068	0.3
145.07600	14.3
146.08350	0.9
147.09161	21.0
157.07613	0.7
159.09167	9.3
160.09978	1.6
161.10681	0.7
172.09808	0.2
173.07111	1.5
173.10733	1.2
175.08638	1.6
179.02371	0.2
184.09926	0.5
185.10738	3.8
186.11501	0.9
187.08743	1.3
187.12320	1.0
189.10245	1.6
191.08142	100.0
192.08505	1.2
197.10724	1.7
199.08621	1.1
199.12267	1.4
200.09500	0.3
201.10262	0.8
211.08524	0.3
213.10260	1.6
215.11806	1.7
216.07672	8.5
219.11171	0.3
225.10214	1.4
227.08365	0.3
227.11873	0.5
231.11337	0.4
233.09157	0.5
233.12784	0.5
243.11356	0.4
245.09282	0.6
245.13031	0.3
253.09552	0.3
259.10861	0.3
263.13898	7.9
271.10886	0.4
289.11832	3.9
307.12860	50.0
307.36554	0.3
308.13226	1.2
350.13449	46.0
351.13632	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	6.0
55.01867	14.8
55.05253	2.7
55.05508	31.5
56.96564	12.0
57.02641	1.4
57.03433	17.4
57.07076	1.8
61.02926	9.4
65.03934	4.3
67.05499	51.5
68.05824	1.5
69.03411	5.9
69.07061	33.1
70.03812	6.6
70.04233	3.3
71.04979	4.1
73.02908	5.9
73.19688	1.6
77.35007	1.8
79.05489	60.6
81.03416	11.3
81.07054	50.9
82.07405	2.6
83.04988	8.0
83.08607	12.8
85.02904	8.9
85.06535	3.8
87.04451	2.1
88.03918	1.8
91.03947	6.5
91.05476	52.5
92.05769	1.8
93.07035	43.3
95.01332	3.0
95.04961	11.3
95.08601	27.7
97.02879	6.0
97.06532	14.9
97.10157	7.9
98.20794	2.1
98.97562	2.0
101.02342	3.3
103.75761	1.7
105.07024	54.1
107.04944	16.6
107.08586	62.2
109.06511	7.4
109.10151	17.7
110.30238	1.8
111.08075	3.3
113.09578	2.2
115.05435	2.0
117.07018	18.7
119.08575	32.4
121.06511	5.8
121.10144	13.2
123.08044	6.0
123.11700	2.8
125.09637	6.5
125.10448	1.6
129.07008	6.0
130.07765	2.6
131.08562	30.6
133.06514	2.0
133.10126	35.6
135.08069	5.5
135.11711	11.0
141.06920	2.5
143.08566	6.7
145.10126	37.1
147.08044	2.1
147.11668	25.5
149.09625	17.1
149.13268	5.8
151.11118	4.2
155.08551	3.3
157.10139	6.4
159.11719	17.1
161.13245	8.8
163.11169	10.4
169.10072	5.5
171.11682	6.8
173.11896	1.6
173.13258	7.7
175.11256	1.9
177.12706	3.1
179.14345	2.8
183.11647	4.6
185.04657	1.7
185.13260	2.9
187.11160	3.3
189.11246	6.6
193.12236	2.6
197.13258	3.1
203.05867	2.7
205.12317	2.6
211.13293	3.2
213.07881	2.0
213.16501	2.1
217.07452	2.1
225.07907	2.0
229.19566	7.0
231.09012	2.1
239.11334	2.0
239.17865	10.0
247.20586	3.5
251.11331	3.3
255.09079	4.1
257.18994	27.1
259.12741	1.7
267.08929	9.4
269.12408	6.2
270.12692	2.4
271.08508	4.5
275.20062	49.1
283.08435	2.8
285.10104	18.9
285.16956	2.2
287.11584	2.2
289.09506	8.3
331.22513	4.1
348.65182	2.7
349.19791	100.0
349.23761	49.7
350.20184	7.8
350.24075	3.0
350.86768	1.8
365.30734	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	11.8
55.01874	17.0
55.05505	37.7
56.96561	11.2
57.03437	22.4
57.07061	2.5
59.04983	2.3
61.02913	6.3
61.25392	1.8
65.03935	7.0
67.05505	89.8
69.03431	6.8
69.07064	49.9
69.07446	2.4
71.01397	1.7
71.04992	5.9
71.60592	2.1
72.26958	1.7
73.02906	2.9
79.05490	100.0
80.05815	2.6
80.60657	1.8
81.03418	18.4
81.07054	98.2
82.07411	2.2
83.04980	18.4
83.08607	18.1
85.02895	4.9
85.06535	3.2
87.08125	1.8
91.03954	4.4
91.05478	77.0
93.07040	73.2
94.38479	2.0
95.01311	10.9
95.04967	24.8
95.08601	46.8
97.02892	4.3
97.06532	23.3
97.10170	11.4
99.08097	2.4
103.05431	2.9
105.07027	86.3
107.04942	29.4
107.08592	56.3
109.06525	12.9
109.10149	22.3
111.08077	6.7
117.07018	27.1
119.04907	1.7
119.08582	60.6
121.06485	8.4
121.10137	19.7
123.04408	3.0
123.08032	7.5
123.11694	7.0
125.09601	9.3
127.03918	2.6
129.06973	7.6
130.07837	2.2
131.08563	34.6
133.06487	4.4
133.10118	53.9
134.10477	2.2
135.08063	13.1
135.11676	13.1
137.09621	8.4
141.07001	3.8
143.08556	5.6
145.06473	4.2
145.10120	29.0
147.07990	2.0
147.11670	28.0
149.09619	23.9
149.13219	9.3
151.11200	4.9
155.08568	5.2
157.10121	6.1
159.11670	21.8
161.09549	3.7
161.13240	10.8
163.11194	8.6
165.09052	2.3
165.12794	2.2
169.10097	3.6
169.12192	2.1
171.11763	4.5
172.95277	1.7
173.13210	11.2
175.11259	4.5
175.14885	2.8
177.12758	7.7
179.14299	12.6
183.11658	3.1
187.11172	5.8
187.14789	3.0
189.11264	4.4
195.13815	3.3
197.13249	4.4
199.06386	2.3
201.09909	2.0
209.15402	2.4
215.14397	2.5
219.13889	1.8
225.08011	2.6
229.19527	8.5
231.09018	2.5
239.17921	4.5
243.08961	2.2
247.20599	5.9
255.09247	2.1
257.10733	2.8
257.18954	10.9
267.09134	9.2
269.10590	10.0
269.17523	7.5
270.17767	2.2
275.20053	66.4
276.20453	4.2
285.10083	22.3
286.10474	3.1
287.11636	8.2
292.12253	2.2
303.11176	2.9
308.11777	3.5
349.17075	4.1
349.23724	47.3
350.24072	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21446	2.0
53.03947	17.8
55.01872	21.1
55.05507	26.2
56.96568	12.5
57.03430	24.2
57.07065	3.2
58.06963	2.2
61.02911	13.0
65.03916	3.3
66.36399	2.6
67.05501	80.2
67.28785	2.4
68.30602	2.3
69.03421	7.9
69.06717	4.4
69.07066	69.4
70.66239	4.6
71.04987	5.2
73.02913	3.7
77.00911	2.7
79.05488	70.8
81.03417	42.9
81.06571	5.0
81.07051	100.0
83.04967	16.0
83.08608	15.3
85.02891	7.1
85.06521	4.4
91.03965	4.4
91.05472	85.9
93.07037	72.6
95.01316	24.7
95.01888	5.2
95.04964	24.3
95.08599	57.5
97.02876	9.2
97.06525	28.7
97.10169	8.1
98.21207	3.6
101.02374	3.4
105.07023	95.7
107.04948	38.3
107.08578	36.7
109.06512	10.5
109.10138	16.1
111.08064	7.5
115.05424	3.2
117.07001	31.0
119.08576	57.9
121.06516	9.7
121.10132	19.5
123.04420	6.6
123.08070	10.6
123.11696	5.3
125.09586	3.0
129.06996	6.5
131.08562	45.4
133.10117	69.4
135.08031	8.1
135.11687	14.8
141.06964	4.1
143.08574	7.3
145.06483	6.8
145.10115	32.6
147.08022	3.5
147.11673	25.9
149.09630	13.4
149.13225	14.2
151.11250	3.6
157.10147	6.8
159.11693	27.4
161.13260	11.4
163.11192	8.0
165.09163	3.6
165.12761	2.7
169.10126	7.2
171.11668	8.8
173.13231	6.7
177.12766	11.7
179.14311	26.7
187.11232	6.4
195.13792	5.5
197.13197	4.0
205.12219	4.3
213.07971	2.9
229.19344	2.6
231.09090	3.7
241.14575	2.9
243.09122	7.0
247.20593	5.1
253.12906	5.1
257.18997	14.1
261.10040	3.7
267.08920	14.3
268.09396	2.9
269.10526	18.0
269.17386	5.6
270.10818	2.8
271.14117	3.1
273.10025	3.5
275.20044	71.6
276.20453	4.6
285.10077	25.7
286.10422	3.2
287.11673	8.1
303.11395	2.3
308.11737	2.8
331.15927	5.2
349.16830	5.6
349.23703	44.9
349.27594	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	2.0
65.36983	0.9
68.10080	0.9
71.34692	2.1
79.05496	1.9
81.07042	7.2
84.04498	6.0
85.02878	1.3
87.02678	3.9
105.00079	1.2
113.36289	1.0
122.02713	3.8
132.01112	1.1
147.04407	2.4
159.04622	1.3
185.04201	55.3
187.03668	16.8
201.91844	1.2
202.08937	6.9
203.07378	1.9
216.96204	1.1
220.09941	2.2
311.00525	1.3
349.08926	100.0
350.09323	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	349.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33077	1.1
56.96567	1.4
56.97435	1.1
57.03430	1.2
60.03462	1.2
69.03414	1.4
70.06586	5.7
71.34591	2.2
72.08149	1.7
79.05498	1.8
81.03396	1.1
81.07047	9.5
84.04498	8.3
85.02909	2.6
86.09702	4.2
87.02691	4.7
91.05455	4.9
95.04977	1.6
97.02879	1.6
99.08083	1.8
104.11641	1.0
105.00046	1.4
105.07011	1.9
116.50543	1.0
116.98580	1.4
121.06514	1.1
122.02731	6.5
127.03900	1.0
130.05031	1.6
130.53397	1.0
132.01172	1.2
151.03931	2.9
153.01863	1.5
159.04814	1.6
177.09186	1.2
185.02539	1.9
185.04219	49.7
187.03661	100.0
188.03886	1.8
190.12077	1.0
194.72238	1.2
197.62350	1.3
202.08968	8.6
203.07315	2.3
205.04776	1.5
205.12294	2.7
207.06564	1.8
220.10040	1.7
240.58394	1.1
349.08978	54.4
358.08096	1.6
367.08710	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43750	0.7
71.04444	1.5
76.83327	0.7
76.92119	0.7
79.56963	0.7
81.07034	1.8
84.04495	2.2
87.02652	1.2
95.01907	1.3
97.02863	0.8
119.01886	0.7
122.02753	1.2
147.04387	3.5
161.57790	0.7
185.04214	8.6
187.03571	4.2
202.08925	2.6
220.05873	0.9
223.04353	0.8
247.04517	2.3
264.97525	0.9
265.05637	2.4
280.65390	0.8
289.05548	0.8
307.06732	1.1
349.08917	100.0
350.09256	1.8
367.08661	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	349.0242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93521	13.6
56.96560	7.9
60.04513	4.6
60.70716	3.9
70.95870	6.4
71.58805	5.4
72.93795	20.5
84.04478	4.4
85.02914	9.4
86.09702	5.1
90.94828	10.1
91.05484	4.5
95.04953	6.0
97.02867	5.9
103.50124	4.0
105.71825	3.7
107.04954	25.2
108.95819	4.0
131.04953	5.5
132.05724	7.4
132.95822	34.9
134.03584	5.0
136.06200	13.7
137.06537	13.4
147.04378	7.8
150.96889	76.6
158.93652	5.2
163.03960	5.3
168.97890	5.6
176.04741	7.6
176.94812	18.2
176.99960	45.5
178.97905	21.0
179.00020	4.2
192.97949	13.7
195.01022	25.7
196.98987	22.7
206.99469	6.2
218.95848	28.2
220.98926	100.0
221.99678	6.7
237.99217	17.7
238.01357	4.8
239.00026	94.3
245.99875	4.4
256.00357	4.6
261.95645	4.7
262.01700	5.8
285.07397	4.5
289.98587	5.7
303.08560	6.3
307.99689	70.7
326.00812	87.3
349.09177	17.3
349.13898	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	348.2738
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
50.29377	0.8
55.05495	3.6
56.05040	4.2
57.03441	1.1
60.04523	100.0
67.05500	12.7
69.07060	3.7
69.61123	0.8
70.06582	1.9
72.04517	1.9
74.06067	2.5
77.58350	0.8
79.05485	8.0
80.04990	1.4
81.07050	11.1
82.06571	2.4
83.04977	1.3
83.08593	2.5
84.04528	1.5
85.06538	1.6
90.05527	1.2
91.05470	8.9
93.07037	10.7
94.06539	1.5
95.04968	1.8
95.08601	10.3
96.08118	1.8
97.06530	1.4
105.07018	4.8
107.08595	5.3
109.10150	3.1
111.04384	1.1
112.07609	0.9
117.06985	2.1
118.74397	0.9
119.08549	3.5
120.08088	1.2
121.02830	1.1
121.10110	3.8
127.03912	1.1
129.06979	1.1
131.04979	0.8
131.08522	2.5
133.10120	3.7
135.11684	1.9
136.06169	2.2
137.02324	1.8
137.05894	2.2
143.08583	1.1
145.10109	2.7
146.05956	0.8
147.11644	3.3
148.11198	1.5
149.13156	0.9
151.11237	1.1
153.01804	7.1
156.73109	0.9
159.11803	1.1
161.13322	0.9
165.01880	1.0
177.16315	1.0
181.03322	0.9
217.19554	0.9
257.04495	1.1
276.23303	2.7
285.03918	1.0
287.05515	2.5
289.11929	1.7
294.24243	7.6
303.04904	1.3
306.14355	0.9
312.25302	12.1
313.03323	1.2
330.26370	31.5
331.04297	1.0
331.26849	1.1
348.13907	1.1
348.27417	57.9
349.27731	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	348.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.01866	0.6
55.93519	0.4
56.05020	0.7
56.96562	2.3
57.03429	0.7
58.06575	0.8
60.04510	0.5
61.02913	1.3
67.05502	0.5
69.03426	3.0
69.76208	1.0
69.76627	1.9
71.04985	0.9
73.02907	0.9
74.06071	0.8
75.24042	0.4
79.05496	0.6
79.69881	0.4
81.03394	1.7
84.04501	2.0
85.02417	0.7
85.02902	9.9
86.09694	1.4
91.03960	0.6
95.04952	1.4
97.02883	10.6
98.20829	0.9
98.97578	1.0
99.04424	0.7
100.03957	0.7
102.05490	0.5
106.05043	0.5
107.04945	1.0
109.02871	1.4
111.04433	0.9
114.03422	0.4
116.98598	0.8
117.01877	0.5
121.02827	0.7
121.06498	0.4
122.06050	0.7
123.04421	41.1
124.04760	0.6
124.07552	0.6
126.05505	0.9
127.03919	2.1
133.02852	0.5
135.04410	1.2
136.06178	100.0
137.04587	1.1
137.06519	1.5
139.03876	1.0
145.04996	1.9
147.04382	1.1
150.05504	0.8
151.03893	11.0
153.01848	1.4
154.02135	0.5
155.03221	0.5
161.01044	1.1
162.05453	0.5
163.03931	0.9
164.07022	0.8
165.05505	1.0
166.04906	0.6
168.06615	1.0
169.04959	19.9
170.05356	0.6
175.03918	0.5
176.08197	1.4
179.03389	1.2
180.08727	0.9
182.08125	0.5
186.07710	1.1
188.08200	3.0
190.98610	0.9
191.03473	0.5
193.04909	0.6
195.02934	0.5
196.06027	0.4
203.09285	1.4
206.04494	0.5
207.02927	0.9
214.06085	2.0
219.01817	0.4
223.01563	1.5
237.02965	0.5
240.08589	0.6
241.03502	0.6
265.02875	0.4
303.10852	2.8
312.07196	0.9
330.08307	2.1
348.06369	2.8
348.13083	7.0
349.14148	0.5
366.07559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.7
53.03947	1.4
55.01855	1.9
56.96554	3.4
58.06591	3.2
60.04521	2.5
65.03923	1.9
67.05495	2.4
67.44996	1.3
68.99789	3.2
69.03414	3.5
70.06564	1.4
70.23473	3.6
70.23859	2.3
79.05492	2.7
80.05001	2.9
80.87473	1.6
81.03432	2.1
81.07065	2.1
82.06564	1.7
83.04952	2.0
84.04496	17.5
85.02888	5.4
91.05471	5.0
94.06499	1.4
95.04941	5.9
97.02907	3.7
98.97601	2.1
99.04437	2.0
103.03931	2.6
103.05403	1.5
105.03327	2.0
107.04934	3.6
108.04535	1.4
109.02879	2.9
110.06028	3.3
111.00809	2.2
111.04391	7.5
118.06518	3.3
119.04940	8.6
121.02853	1.5
122.06007	2.1
123.00818	1.6
123.04424	100.0
124.03988	2.8
125.52614	1.3
126.05449	6.7
127.03889	6.3
130.83981	1.3
131.04938	2.8
133.02797	2.3
133.06386	1.8
134.06004	2.2
135.04424	7.4
136.03894	2.9
136.06190	15.5
136.07274	1.8
136.07455	1.4
137.02313	3.5
137.05923	2.5
138.05502	11.3
139.03896	60.7
140.03407	5.2
140.07069	1.7
142.04961	3.6
146.06027	3.9
147.04399	15.7
148.03920	3.9
149.02332	14.4
149.05984	1.9
150.05515	2.9
151.03867	10.4
151.07527	2.6
152.03285	1.5
152.07060	6.4
153.01863	2.2
153.05457	2.6
154.03726	2.0
154.04979	42.5
155.03363	11.9
159.04393	2.4
162.05489	10.1
163.03911	20.4
164.07050	9.2
165.05423	6.3
166.05006	39.5
167.03355	1.7
168.06554	11.0
175.07666	1.6
176.07045	2.4
177.05446	3.3
178.04976	13.4
179.03371	6.0
180.06561	37.1
181.04912	2.9
184.05989	1.4
187.03802	1.9
188.07031	1.8
189.05505	1.9
189.07785	1.6
192.06566	3.8
193.05061	1.7
194.08162	6.8
196.06068	22.8
197.05936	1.7
201.05482	2.5
201.20770	1.6
203.03368	1.7
203.07173	2.3
204.06444	2.5
205.04733	1.5
206.08131	2.0
208.04094	2.3
208.06047	40.2
210.05740	1.3
210.07617	6.1
213.05287	2.4
218.08208	2.3
229.04884	1.7
243.06561	1.9
256.09473	1.7
260.09033	2.7
270.07635	2.3
271.05984	6.3
285.07489	2.8
288.08655	6.8
289.07047	5.5
293.09055	1.7
306.09830	6.6
312.08502	3.2
313.06976	2.3
330.09753	9.9
331.08017	1.9
348.06885	1.7
348.10571	29.9
348.16919	2.1
349.08948	27.6
349.12848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71142	2.2
52.08764	2.0
55.01866	4.2
58.06573	2.3
60.04512	5.3
65.03932	2.7
65.78432	2.1
67.05499	3.7
68.99780	4.5
69.03425	5.3
71.59351	2.2
81.07043	2.8
84.04501	6.6
85.02913	8.6
88.57972	2.0
91.05489	4.0
95.01357	2.2
95.04971	5.9
97.02876	2.8
100.04021	2.1
105.03428	2.7
105.06997	2.3
106.06551	2.1
107.04945	4.4
109.02871	4.4
109.06604	2.7
110.06046	2.3
111.04400	3.8
112.03947	2.0
118.06500	2.8
119.04945	7.6
121.02821	2.5
123.04428	100.0
124.03959	2.6
126.03766	5.7
126.05509	7.5
127.03933	6.2
130.06514	5.3
131.04916	2.3
134.06041	3.2
135.04416	10.1
136.06161	6.9
136.36932	2.2
137.02341	4.4
137.05952	4.8
138.05495	11.6
139.03899	69.8
140.03424	4.3
142.04993	3.5
144.04805	7.2
144.08081	6.9
146.05995	4.8
147.04408	16.2
148.03946	7.9
149.02332	18.6
149.05925	2.5
150.05515	6.8
151.03917	8.8
152.07043	7.0
153.05348	3.1
154.04991	54.2
154.06334	2.5
155.03391	12.5
155.07361	3.6
161.05930	2.6
162.05498	7.0
163.03886	27.0
164.07028	10.6
165.01872	2.2
165.05495	8.7
166.04991	44.7
166.06273	3.1
167.03453	3.3
168.04976	2.0
168.06537	10.7
172.07556	4.5
173.06056	3.6
176.07031	6.2
177.05620	2.8
178.04996	13.1
179.03371	6.6
180.03079	2.7
180.04964	3.0
180.06544	42.4
181.04929	3.0
184.06071	4.4
185.05873	2.1
186.05830	37.5
187.03870	2.1
192.06566	6.9
194.08138	7.5
196.06070	19.1
201.05327	3.2
202.08447	2.4
203.06947	3.5
204.06584	5.1
208.06042	54.0
210.07611	9.5
218.08116	2.5
222.07765	2.5
225.05811	2.3
229.04909	3.4
260.09094	2.2
270.07605	3.2
271.05975	7.2
288.08682	8.8
289.06982	5.2
302.10324	3.1
306.09750	8.1
330.09756	11.8
330.25870	2.5
331.08078	3.5
348.10690	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39143	1.8
55.01848	3.0
55.23138	1.5
56.05013	2.9
60.04520	7.4
61.09205	1.6
63.01999	1.5
64.15688	1.7
65.03943	3.5
67.05504	3.8
68.99783	4.6
69.03416	4.5
70.06567	1.9
71.19247	1.3
71.48750	4.0
73.02893	1.6
79.05482	4.0
80.05006	2.0
80.05782	1.4
81.03419	4.5
83.01298	1.8
84.04497	42.0
85.02895	20.4
91.05466	12.5
95.01297	2.1
95.04942	5.5
96.04475	2.0
97.02874	7.2
98.02367	1.6
98.09096	1.4
98.45024	1.5
99.04453	4.4
99.49017	1.5
100.03972	3.2
103.03934	10.2
105.07021	2.8
107.04948	4.9
108.04450	2.7
109.02845	8.1
110.06064	1.9
111.04440	4.5
112.03912	2.1
117.05722	1.7
117.07024	2.0
118.06535	13.9
119.04922	5.7
121.02875	1.9
123.00838	2.5
123.04418	100.0
125.02349	1.5
126.03748	9.4
126.05502	13.0
127.03899	9.8
129.06973	3.0
130.06485	10.6
131.04922	2.4
133.02791	2.3
133.06483	2.2
134.05998	2.9
135.04402	6.5
136.06158	11.1
136.07657	2.5
137.02335	3.1
137.05962	3.4
138.05482	15.5
139.03888	60.6
140.03410	4.2
142.04962	2.4
143.07323	1.6
144.04778	15.1
144.08070	22.1
145.04941	5.1
145.06477	2.5
146.06046	3.4
147.04401	13.9
148.03957	4.3
148.07605	2.2
149.02301	15.7
149.05992	3.3
150.05508	5.4
151.03888	8.4
152.07083	4.4
153.01767	1.7
154.04974	55.9
154.06438	5.9
155.03368	11.0
155.07280	4.5
155.10715	2.2
156.08060	4.1
158.05978	5.7
160.07498	2.5
161.05975	5.3
162.05495	8.4
163.03870	24.1
163.06052	2.0
164.07031	10.5
165.05478	5.6
166.04991	42.2
168.04837	3.0
168.06552	8.3
168.07780	1.6
172.07555	19.2
173.06068	3.1
174.05435	1.6
176.07059	2.9
177.05455	4.2
178.04956	10.5
179.03378	5.6
180.06544	35.3
180.08025	3.6
181.04956	3.1
183.04280	1.9
183.46530	1.7
184.06062	2.6
184.07556	4.7
185.06024	2.1
186.05823	45.8
186.07475	2.1
189.05435	2.2
190.08627	5.4
192.06569	3.8
193.04951	3.9
194.08105	5.8
196.06032	19.6
197.05966	2.2
201.05396	2.9
204.06601	3.7
204.08636	3.4
208.04114	2.0
208.06039	41.7
208.07919	3.1
210.07607	8.9
218.08167	1.8
224.07094	2.0
225.05360	2.0
271.06024	6.1
280.96255	1.6
284.09393	2.1
286.07263	1.8
288.08685	6.5
289.07089	4.2
293.40918	1.6
306.09753	7.5
312.08728	3.2
313.06976	2.2
330.09647	10.8
331.08075	2.2
348.10471	25.8
348.27158	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	348.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.93520	2.1
56.05033	3.9
56.96545	2.8
58.06579	4.3
60.04528	14.2
64.39036	1.8
65.03938	1.6
67.05479	3.8
69.03415	4.9
69.07063	2.2
70.02969	1.7
70.06575	2.0
71.58980	3.7
73.02866	2.1
74.06067	4.7
77.03951	1.7
79.05481	3.1
80.05010	2.7
81.03426	2.9
82.06547	2.7
83.04993	2.6
84.04494	10.1
85.02892	4.8
86.06069	3.4
86.09685	2.4
90.20955	1.8
91.05496	2.1
94.06540	5.2
94.47391	1.6
95.04945	7.8
96.04484	3.3
96.08137	2.2
97.02883	13.0
98.06054	3.9
100.03986	2.6
105.03386	2.1
106.06502	2.4
107.04949	12.1
108.08112	3.4
109.02872	6.2
109.06531	2.4
110.06015	5.2
111.04413	2.2
119.04956	3.6
120.08108	4.3
121.02879	4.8
121.06445	2.4
122.06015	4.3
123.04400	11.0
124.07610	2.8
125.02348	2.7
126.05505	6.6
127.03931	3.7
130.06496	1.9
131.04913	5.5
132.95844	3.8
133.02835	6.6
134.05974	4.7
135.04420	11.3
136.06180	100.0
136.07535	6.0
137.02258	2.0
138.05496	5.4
139.03908	6.3
140.07092	2.3
144.06541	2.2
146.05969	5.1
147.04414	5.5
148.07535	6.9
149.02364	4.2
149.05948	4.3
150.05450	5.4
150.96852	9.2
151.03841	5.2
152.07010	4.4
153.05490	1.9
161.02293	2.9
161.05986	2.3
162.05486	6.0
163.03896	12.5
163.06151	2.2
164.07057	8.1
165.01857	3.2
165.05450	3.8
166.08606	12.9
167.03377	6.5
168.06570	8.1
175.03899	3.1
176.07149	2.6
176.94798	2.6
176.99919	4.1
177.05479	4.0
178.04913	4.8
178.97916	2.1
179.03426	9.1
179.05386	1.6
180.06541	6.0
181.05023	2.9
181.07227	2.3
182.08128	4.3
190.04941	3.0
191.03398	5.1
192.06450	2.0
193.05038	2.0
194.08026	2.3
195.02856	3.3
196.06049	2.6
196.98930	4.0
197.04570	1.8
198.07550	2.6
202.04924	2.1
203.03374	3.5
204.06546	3.0
205.04990	5.0
206.04431	4.2
207.02852	9.1
208.06050	3.1
209.04388	3.2
210.07640	2.4
210.96475	1.8
218.95842	2.4
220.98874	9.6
221.04471	4.0
222.07617	4.3
224.05371	3.6
225.03993	2.9
233.04434	2.5
238.99968	9.6
239.05504	2.1
240.08688	5.7
243.04933	2.2
248.05519	2.6
256.08231	2.8
257.06424	2.9
270.05994	4.6
271.04510	2.8
272.07498	2.8
284.07617	3.9
288.07117	4.7
302.08691	3.0
307.99713	5.7
312.07114	4.9
314.08472	2.4
321.96579	1.9
326.00763	8.2
330.08066	12.2
348.09192	27.4
348.13217	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	347.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18143	0.8
56.05018	2.5
56.09528	0.9
57.07060	3.3
58.06579	1.3
67.05486	1.4
71.08613	0.9
74.06069	1.7
81.07051	1.1
88.07632	9.8
89.07988	1.9
91.05482	1.2
95.08588	1.6
98.21502	2.2
102.38422	0.8
105.07035	1.5
107.08543	1.0
114.33479	0.9
116.78572	0.9
118.08666	1.1
122.08102	1.3
149.02298	1.3
150.35349	0.9
193.04956	3.1
224.65645	4.3
225.15796	1.4
249.14523	1.2
265.14081	0.9
298.31067	1.0
299.31348	8.7
347.21912	100.0
347.33472	32.4
348.22205	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	348.0703
Annotation	3'-AMP
Peak:m/z	Relative Intensity
55.01873	0.3
56.05035	0.3
56.96560	2.1
57.03415	0.8
61.02928	2.5
69.03429	1.9
70.06612	0.3
71.04967	0.3
73.02905	0.8
74.06060	0.5
79.26688	0.2
79.80300	0.2
81.03420	1.0
84.89949	0.3
84.96043	0.3
85.02898	2.1
86.09678	0.3
86.53751	0.3
87.00826	0.3
90.32124	0.3
93.59018	0.2
95.04937	0.5
97.02280	0.4
97.02887	8.0
98.97594	1.3
99.04451	0.4
107.04943	3.4
109.02885	0.6
116.98611	1.5
119.01896	0.8
119.03516	0.8
123.04417	0.3
127.03915	0.6
128.98584	0.5
131.04861	0.3
134.99649	0.7
136.06177	100.0
137.04576	0.7
137.27361	0.3
142.96562	0.3
145.01659	0.3
146.99658	0.7
149.01199	0.4
149.02800	0.5
150.96861	0.4
153.03053	0.4
158.99622	0.4
161.01199	0.6
168.06598	0.5
173.50377	0.3
174.34587	0.3
175.02539	0.5
177.00754	0.3
177.02528	0.4
177.04071	1.7
179.02266	0.3
186.04651	3.3
187.00955	0.5
191.02135	0.3
195.05116	0.4
206.03482	0.3
211.02629	0.5
219.01688	0.4
220.98970	0.7
227.04163	0.4
232.08742	0.5
235.03069	0.3
238.99991	0.5
245.05096	0.5
254.05545	0.4
258.06696	1.4
267.07416	1.4
269.05457	0.3
326.00830	0.4
348.06586	3.7
348.13223	1.4
353.07605	0.4
371.08438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1674
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
60.75926	0.3
62.13560	0.3
69.89677	1.5
71.04968	0.3
81.75792	0.3
121.06488	0.3
135.96066	0.3
137.02348	3.7
137.03381	0.4
153.01781	0.6
185.11505	2.0
255.70441	0.3
347.16733	100.0
348.17084	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	347.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18143	0.8
56.05018	2.5
56.09528	0.9
57.07060	3.3
58.06579	1.3
67.05486	1.4
71.08613	0.9
74.06069	1.7
81.07051	1.1
88.07632	9.8
89.07988	1.9
91.05482	1.2
95.08588	1.6
98.21502	2.2
102.38422	0.8
105.07035	1.5
107.08543	1.0
114.33479	0.9
116.78572	0.9
118.08666	1.1
122.08102	1.3
149.02298	1.3
150.35349	0.9
193.04956	3.1
224.65645	4.3
225.15796	1.4
249.14523	1.2
265.14081	0.9
298.31067	1.0
299.31348	8.7
347.21912	100.0
347.33472	32.4
348.22205	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	347.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37017	2.4
56.39656	2.4
56.96568	5.2
61.02922	4.2
69.76573	17.1
73.02893	2.2
77.30169	2.6
81.03436	2.7
85.02892	14.1
86.09696	5.1
93.03366	3.3
95.04978	4.1
97.02872	12.0
98.20741	5.0
103.03951	3.9
104.26418	2.6
109.02896	3.7
119.01920	4.5
134.99712	2.9
135.04398	5.8
136.06181	67.5
139.03893	100.0
143.01900	9.3
145.04884	2.8
146.69368	3.1
147.04330	2.6
149.06010	4.1
151.03935	13.8
153.01866	6.7
158.99707	2.7
161.02968	14.4
163.03894	21.1
167.03419	35.7
175.34854	2.7
179.03427	7.8
181.04984	12.0
185.04460	34.4
185.07834	3.2
186.04407	3.1
188.92328	3.2
191.03409	8.2
197.04459	5.9
200.16496	2.9
203.04034	8.5
204.05424	3.5
205.04982	12.2
209.04448	8.7
221.05084	2.9
233.04488	5.0
247.05994	4.7
287.09589	4.2
301.12457	3.7
310.44742	3.0
346.81335	3.0
347.09467	4.6
347.13074	21.4
348.07111	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92128	0.4
52.66601	0.4
55.01878	0.5
56.05015	0.5
56.96559	2.7
57.03433	1.1
61.02925	2.1
65.03938	0.8
69.03425	2.7
69.59417	2.5
69.59824	0.9
70.06590	0.4
70.48584	0.4
71.01344	0.6
71.04994	0.9
72.08131	0.7
73.02917	0.6
79.01861	0.4
80.88052	0.4
81.03410	1.3
85.02899	5.1
86.03229	0.4
87.04447	0.6
88.99069	0.4
91.03934	0.5
95.04970	0.5
97.02880	1.8
98.97582	1.1
102.93607	0.5
107.04942	1.6
109.02866	1.0
116.98603	0.6
117.01796	0.7
119.01836	0.6
120.04447	1.2
123.04413	0.7
125.02381	0.5
127.03921	0.9
134.99614	0.5
137.05943	0.6
138.05499	4.0
143.03391	0.5
146.99590	0.6
147.04370	0.7
148.03926	45.5
153.01826	5.3
154.00287	0.9
154.02122	2.5
162.05539	0.5
163.02777	0.5
166.04996	100.0
167.05341	1.0
167.08524	0.5
168.06538	0.4
168.08904	0.6
175.00932	0.6
184.06049	92.6
185.06375	1.1
189.02338	0.6
190.98604	1.3
192.08913	0.9
193.05232	0.4
196.01347	0.5
198.95808	0.4
204.08954	0.5
205.01833	0.8
213.11035	0.6
214.02394	0.5
219.01633	0.6
220.08432	0.8
222.09978	0.5
227.06801	0.6
235.03056	0.7
237.02803	0.9
237.11061	1.5
239.12622	0.8
241.10498	1.1
254.13815	0.9
255.12094	0.6
258.40933	0.4
266.08929	0.9
270.08661	0.5
283.11456	2.4
300.14175	1.7
301.12619	1.0
329.12067	2.2
346.11224	2.0
346.14832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2633
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
53.03937	2.8
55.01859	4.0
55.05508	72.1
57.03435	30.6
57.07066	9.2
65.03947	3.0
67.05504	78.7
68.28828	2.7
69.03424	4.1
69.07066	93.5
71.04987	8.1
71.08626	2.9
71.60448	2.9
79.05485	36.8
81.07052	100.0
82.07372	2.6
83.04971	8.5
83.08616	57.1
85.02877	3.4
85.06541	7.3
91.05466	23.5
93.07030	34.5
95.08599	90.1
97.06533	10.4
97.10168	30.8
98.86357	2.3
99.08136	4.6
101.06037	2.9
103.05514	4.0
105.07029	18.1
107.04885	3.3
107.08579	26.6
108.60278	2.6
109.06496	5.3
109.10150	42.0
111.08067	8.4
111.11716	10.6
117.06972	3.0
119.08585	17.3
121.10146	31.8
123.08024	5.1
123.11702	16.5
125.09636	7.6
125.13315	3.2
129.05476	3.7
131.04929	5.0
133.10104	15.9
135.11665	33.6
137.05940	7.9
137.09630	3.9
137.13235	6.8
139.03801	3.7
139.11183	6.1
147.11690	14.7
149.13277	6.2
151.11177	5.8
151.14902	4.2
153.12682	3.7
155.02211	2.3
161.05939	2.5
161.13268	10.2
163.03928	4.2
165.12808	4.4
167.07138	3.5
175.07570	3.4
175.14792	5.5
179.14307	3.8
183.42833	2.6
189.16374	3.2
191.06989	3.0
217.19447	20.6
221.84296	2.4
235.20520	22.4
253.21696	7.8
257.80692	2.5
309.24252	15.0
313.10718	6.1
315.07648	9.4
327.25266	54.5
327.28946	4.9
330.09802	6.9
345.12872	23.3
345.26282	43.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.01862	3.4
55.05479	2.6
57.03437	1.4
57.07047	1.5
67.05497	2.7
69.03417	11.8
69.07069	11.7
69.77289	10.2
71.04968	1.8
73.02913	13.3
79.05494	5.1
80.95304	1.4
81.03419	2.4
81.07052	23.5
83.04977	4.8
83.08617	1.7
85.02903	9.4
85.06553	4.0
86.09675	2.2
91.05474	3.6
93.07053	1.9
94.06546	3.3
95.04960	3.1
95.08614	6.3
97.06532	1.5
98.21509	1.8
99.04461	5.0
99.08101	15.4
105.06986	3.3
107.04948	3.2
107.08607	3.6
109.02869	2.1
109.06519	6.5
109.10159	4.3
119.04942	1.7
121.06526	2.2
121.10135	10.1
122.03643	2.2
122.06028	4.1
123.04470	2.5
123.08076	3.2
123.11692	4.7
125.09608	7.8
127.03906	1.8
127.07558	1.9
137.02344	3.1
137.05995	14.2
137.09624	2.4
138.06337	2.6
139.11168	10.6
140.07060	5.6
144.04489	2.5
145.04909	2.0
147.04419	2.3
147.11688	2.1
149.05960	7.4
151.03891	4.5
151.07539	3.9
152.06113	1.8
153.01849	2.1
153.06978	2.1
157.06482	1.7
163.07561	1.6
165.06934	2.1
165.12790	4.2
167.07051	3.0
172.03946	9.1
175.07555	4.2
177.09125	2.7
181.06483	5.9
183.13800	100.0
191.07069	2.4
194.74194	1.5
195.08101	1.8
196.05325	1.9
197.05876	2.0
203.06958	1.9
204.06546	17.7
206.08076	2.6
211.07521	5.2
213.09213	3.5
234.98943	1.9
239.07028	1.8
241.08656	4.9
258.08817	6.3
273.11264	14.2
299.09058	11.6
299.12082	1.8
301.13324	1.8
313.10971	1.9
327.12070	2.6
345.06122	11.7
345.13226	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	345.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44845	5.0
55.05502	5.7
56.96548	7.1
57.03407	7.3
71.04992	30.7
71.59782	7.6
81.07046	14.6
85.02885	33.2
86.09682	6.0
91.05475	15.0
93.03370	5.3
93.07034	5.5
95.04964	8.7
95.08591	12.5
98.63843	5.1
103.05449	15.5
104.99431	5.0
105.07017	9.4
107.08571	5.8
109.06538	5.6
109.10165	7.3
111.04456	5.2
115.05420	6.4
117.07040	6.6
121.02862	7.9
121.10124	6.0
123.08125	7.0
123.11680	7.1
125.05948	6.2
131.04922	30.1
137.02335	9.7
137.05978	67.7
144.02867	5.1
144.74802	5.0
145.06456	5.7
151.07521	14.3
153.01801	12.8
161.01248	7.2
161.05991	7.9
162.06610	5.9
163.07523	46.2
167.07048	7.1
169.83102	5.7
175.07539	12.6
177.09100	100.0
178.07448	7.1
181.06407	6.6
195.08051	5.7
197.69052	5.7
203.10629	6.9
204.06410	6.5
205.00340	4.9
211.07576	7.4
221.11784	5.7
223.07390	5.6
225.09305	7.2
235.07463	5.2
239.06990	9.5
247.08484	4.9
267.10117	11.0
268.25119	5.2
269.08194	6.7
271.06229	5.9
287.05441	7.9
299.05637	9.5
299.09094	39.3
299.12527	12.6
303.04840	44.6
304.05154	8.3
313.10739	20.0
327.12222	31.0
345.05911	51.0
345.13272	21.5
345.21967	7.5
346.17639	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	345.1331
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
50.68495	0.8
53.19032	0.7
55.01855	1.7
55.05490	2.8
56.96545	1.3
57.03424	1.8
65.03934	6.0
67.05486	3.1
68.02619	1.2
69.03409	1.3
69.07041	2.8
71.04960	1.3
71.60347	0.8
79.01825	1.0
79.05477	1.6
81.03427	1.4
81.07043	3.3
83.04960	2.1
83.08597	1.5
85.02901	3.8
91.05457	4.0
93.03384	3.2
93.07033	1.5
95.04942	2.2
95.08588	3.8
96.02103	7.5
97.10165	1.0
105.07020	1.7
107.01307	2.4
107.04938	2.2
107.08589	1.4
107.65347	0.7
109.02868	1.0
109.10120	1.4
111.04432	32.8
115.05437	1.6
117.06974	1.8
119.04884	1.1
119.08586	0.9
121.02872	0.9
121.06492	1.6
121.10194	1.1
122.03580	0.8
123.04404	3.5
125.05946	0.8
128.06221	2.2
129.06985	3.2
131.04903	1.8
133.02831	0.7
133.06403	1.0
133.10156	0.9
135.04422	0.9
135.07983	0.7
137.02332	1.3
137.05969	4.9
139.03891	17.3
140.06189	1.1
141.06963	2.2
142.07777	1.2
143.04901	1.0
143.73415	0.7
144.05678	3.3
145.06485	6.9
145.10104	0.9
146.07147	0.9
147.04379	4.2
147.08032	1.8
148.05254	0.8
151.03922	1.1
151.07545	0.9
152.06212	2.2
153.01836	1.6
153.05452	2.1
153.06969	6.6
155.04907	1.1
155.08516	3.0
157.06502	3.8
159.04364	0.8
159.08054	7.8
160.05414	0.8
160.08804	5.0
161.05933	5.8
161.09579	2.0
162.06726	1.6
163.03862	1.2
165.06970	5.9
165.09042	1.2
166.07671	1.0
167.03397	8.4
167.07283	0.8
167.08562	4.4
168.05666	5.2
169.06490	5.3
169.10110	0.9
170.07272	1.2
171.08015	2.6
173.05937	1.3
174.06747	1.3
175.07556	3.0
178.07739	5.6
179.03383	1.0
179.08530	8.7
180.05649	1.4
180.09262	1.3
181.05009	1.6
181.06439	9.3
182.07236	3.7
183.04390	1.8
183.07962	5.2
184.05147	1.2
184.08870	1.2
185.05946	6.8
185.09596	3.0
187.07495	5.2
188.08296	9.1
189.07019	1.6
189.09062	4.1
193.06445	1.7
194.07259	1.0
195.08038	8.6
196.05167	6.1
196.08824	4.2
197.05948	5.3
197.09590	3.3
198.06749	19.5
199.07529	6.1
199.11172	1.1
200.02443	0.7
200.08301	3.5
201.08972	1.0
202.09918	1.0
205.06511	1.7
206.07272	3.4
206.09216	1.1
207.04399	1.6
207.08044	7.2
208.08806	2.9
209.04320	1.0
209.06090	5.4
209.07780	1.2
209.09639	1.8
210.06775	4.4
210.10361	1.2
211.07523	13.2
211.11153	5.5
212.08221	2.5
213.05455	11.5
213.09016	4.9
214.06140	1.1
215.07031	2.6
219.08061	1.2
221.05923	1.8
221.09564	3.8
222.10300	1.7
223.07532	9.2
224.04660	3.1
224.08286	8.7
225.05469	4.0
225.09038	4.2
226.06239	10.3
227.07039	6.3
227.10641	2.6
228.04257	1.1
228.07748	5.8
228.11415	1.1
230.03502	1.0
234.06775	2.4
235.07539	6.6
236.08270	2.2
237.05457	2.6
237.09009	3.7
238.06209	4.4
238.09827	11.6
239.06996	26.7
239.10634	15.2
240.07779	14.1
240.10307	1.2
241.04973	7.2
241.08572	17.3
243.06529	18.0
243.10237	2.3
249.09039	4.0
250.09692	1.0
251.07014	4.9
252.04158	2.1
252.07820	6.4
253.04793	3.6
253.08588	12.4
253.12169	5.1
254.05779	2.1
254.08922	1.2
255.06516	4.9
255.10228	1.7
256.07266	21.3
256.10913	2.8
257.07898	2.0
257.11795	0.9
258.08905	2.6
263.06934	1.9
264.07755	0.9
265.08591	2.3
266.05679	1.2
266.09366	2.7
267.06570	5.5
267.10135	33.0
268.07281	27.6
268.10709	4.4
269.08041	33.1
270.08524	3.5
271.06546	1.3
271.09744	7.2
271.13049	6.6
277.08539	1.9
280.07278	1.0
281.08063	5.7
281.11713	5.2
283.05981	1.0
283.09494	1.8
284.06772	4.8
284.10400	10.7
285.11008	3.8
286.08350	6.9
294.08902	1.1
295.09595	12.2
296.07358	1.4
296.10437	14.2
297.10898	1.9
299.09109	100.0
299.12741	22.3
300.09543	5.8
300.12598	1.2
303.04764	1.0
309.11234	1.7
312.10022	2.8
313.10663	22.1
314.11172	1.3
317.13834	2.3
327.12244	75.7
327.25183	1.6
328.12567	3.8
345.10175	1.8
345.13278	45.9
346.13589	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	345.1331
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03945	1.0
55.01870	2.3
55.05507	8.6
56.96561	1.3
57.03424	3.5
57.07069	1.6
59.04998	0.9
60.56645	0.9
65.03941	5.8
67.05499	8.2
68.02643	1.2
69.07066	9.8
69.55343	0.7
69.86695	4.7
71.04966	2.2
79.05479	4.2
81.03432	1.0
81.07053	16.6
83.04993	2.2
83.08612	5.7
85.02914	1.8
85.06543	1.4
91.05468	3.9
93.03393	2.6
93.07022	5.7
95.04972	1.7
95.08596	12.0
96.02109	7.5
97.06491	2.0
97.10165	4.2
98.97597	1.1
99.04456	0.8
103.05429	1.5
105.07012	2.1
107.01328	3.2
107.04966	1.4
107.08601	4.1
109.06536	1.1
109.10145	4.4
111.04438	30.1
111.08062	1.4
115.05374	1.8
116.06295	0.8
117.07032	1.9
119.04904	1.2
119.08585	1.7
121.06509	1.0
121.10136	3.6
123.04420	3.2
123.11695	3.4
128.06207	2.0
129.07001	3.8
131.04930	1.5
133.06438	1.2
133.10112	2.2
135.04427	1.5
135.08037	1.7
135.11694	2.6
137.02345	1.6
137.05980	5.4
137.13257	1.3
139.03896	16.5
139.11156	1.1
140.06180	1.0
141.06955	2.0
144.05705	3.1
145.06479	4.7
147.04385	2.4
149.06126	0.9
149.13261	2.6
151.03888	0.9
151.14835	1.0
152.06239	2.3
153.05547	2.1
153.06982	5.7
154.07770	1.2
155.04898	1.1
155.08553	2.3
157.05174	0.9
157.06467	4.8
157.10112	1.2
158.07156	0.9
159.04454	1.3
159.08041	6.1
160.08839	5.5
161.05983	6.1
161.09618	3.1
161.13240	0.9
162.06728	1.0
163.03865	1.0
165.05637	1.2
165.06937	5.4
166.07744	1.5
167.03424	6.2
167.04674	0.9
167.08533	1.9
168.05722	4.4
168.09305	1.1
169.06447	5.4
171.08040	2.6
173.05978	2.4
174.06741	1.2
175.07558	1.8
177.07144	1.1
178.07668	4.3
179.08546	8.5
181.06441	8.2
181.10011	1.0
182.07254	4.0
183.08075	4.2
184.05222	1.1
184.08900	1.5
185.05989	5.8
185.09549	3.9
187.07579	5.5
188.08313	9.7
189.07115	1.2
189.09094	4.1
190.07758	1.1
191.08662	1.7
193.06508	1.7
195.08032	7.8
196.05281	4.5
196.08858	3.1
197.06009	4.8
197.09604	3.8
198.06725	18.8
199.07477	4.7
200.08296	3.3
206.07256	3.4
206.09215	0.9
207.04337	1.2
207.08015	7.0
207.09760	1.1
208.08699	4.0
209.06012	6.5
209.09601	1.7
210.06813	4.9
211.07533	10.7
211.11092	4.7
212.08200	1.9
213.05424	9.0
213.09132	3.6
214.06129	1.0
215.07001	1.4
217.19519	2.2
221.05922	1.1
221.09648	4.5
222.10461	1.0
223.07523	7.8
224.04723	3.6
224.08305	7.7
225.05484	3.7
225.09077	5.0
226.06238	8.1
227.07045	5.8
227.10468	1.9
228.07727	4.8
228.11409	1.7
234.06735	2.4
235.07442	5.9
235.20628	1.7
236.08244	3.6
237.02995	1.0
237.05453	2.7
237.09091	3.8
238.06195	2.9
238.09866	9.9
239.07030	25.2
239.10623	12.2
240.07736	10.4
241.04993	6.4
241.08562	17.0
243.06523	16.0
244.06735	1.0
249.09135	3.7
250.09705	1.0
251.07022	3.4
252.04100	1.7
252.07861	5.8
253.04979	2.9
253.08574	12.3
253.12363	4.3
254.05748	1.8
254.08987	1.0
255.06616	5.3
255.09134	1.1
256.07303	18.4
256.10999	1.9
257.07968	2.5
258.08981	1.7
263.07037	1.4
265.08560	1.9
266.05679	1.2
266.09354	2.9
267.06592	4.5
267.10147	32.6
268.07309	24.4
268.10727	3.7
269.08044	31.9
270.08759	2.0
271.09647	6.8
271.13290	6.7
281.08099	4.7
281.11270	4.8
283.09708	1.7
284.06790	3.7
284.10416	10.6
285.11276	4.1
286.05283	1.6
286.08209	7.0
287.05396	1.0
295.09604	10.6
296.10403	12.5
297.11377	0.9
299.09140	100.0
299.12762	20.7
300.09473	4.9
300.12848	1.4
303.05252	1.1
309.11261	2.5
309.27982	1.2
312.10175	2.1
313.07187	1.8
313.10663	21.0
314.10950	1.2
317.13876	2.0
327.12253	71.8
327.25223	4.3
328.12646	3.9
330.03714	0.9
343.30402	1.0
345.06305	1.5
345.13318	42.6
345.26669	3.1
346.13684	1.3
356.24020	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.0
67.05510	0.6
70.16195	2.6
79.05506	2.7
83.01312	1.0
91.05470	2.3
95.04965	3.0
98.21538	0.6
100.03877	0.6
103.05452	0.7
105.07014	1.3
107.04946	100.0
108.05273	1.7
111.35224	0.5
112.27816	0.6
115.05404	0.8
119.04937	1.4
121.02814	4.5
121.06508	1.0
122.07239	1.0
123.04433	2.7
123.08070	0.5
125.05924	0.7
133.06477	0.8
135.04414	2.8
135.08054	2.3
137.05943	1.4
137.09599	3.5
138.06715	0.7
147.04434	1.1
147.08044	1.8
151.07527	1.4
152.08344	0.7
153.05467	2.3
157.24152	0.6
163.03896	0.7
165.09100	39.8
166.06204	1.6
166.09349	0.6
175.07370	0.7
177.09099	4.6
179.03400	0.6
179.07030	0.7
181.04910	1.9
181.06369	0.7
183.10159	0.9
193.04985	0.7
193.08505	0.6
194.05626	1.3
195.08080	0.6
197.09622	1.3
205.08582	11.7
208.07269	0.8
209.08061	29.9
210.06612	0.7
210.08449	0.8
213.09105	1.9
223.09473	0.7
224.08286	0.8
225.09053	2.4
226.06232	0.8
238.09914	0.9
239.10638	1.4
241.08569	2.6
241.12263	0.8
251.09204	0.8
253.08574	38.8
254.05734	1.4
254.08949	1.3
267.10208	0.7
268.10922	44.9
269.08078	41.2
269.11209	1.6
270.08441	1.5
271.13275	12.4
283.09677	3.7
283.12857	0.8
284.10406	40.5
285.10806	1.5
297.07706	1.1
298.12061	1.5
299.12750	66.0
300.12994	2.8
315.05017	1.0
327.12238	13.7
329.06509	0.9
330.07294	4.1
345.09601	5.6
345.13403	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	345.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87264	0.3
55.01862	0.6
56.96561	0.3
65.03926	0.7
67.05484	0.3
69.37157	0.4
69.89473	0.8
69.89889	1.3
73.56495	0.3
77.08125	0.3
79.05488	1.0
81.07045	1.0
91.05502	2.2
94.04169	3.0
94.04598	0.3
95.04963	0.8
98.21439	0.3
103.05460	1.2
105.07021	0.5
107.04982	1.0
109.06524	1.4
111.04438	0.6
115.05458	1.9
119.04955	0.6
121.06525	0.7
122.03651	8.8
123.04458	0.5
131.04936	2.0
132.72160	0.3
133.02838	0.7
135.04414	0.4
137.05974	100.0
138.06314	1.9
140.07053	0.7
143.04913	1.2
144.75409	0.3
147.04408	0.9
149.05966	1.9
151.03885	1.2
151.07599	0.8
153.01845	0.6
159.04337	0.8
160.05170	1.0
161.05971	3.8
163.07559	0.8
165.05589	0.7
165.07008	2.4
167.07091	0.5
167.08478	0.5
169.06360	0.4
172.03951	0.8
175.07526	3.7
176.04721	0.6
177.05394	0.7
177.06868	0.4
178.07796	1.3
179.08545	1.4
181.06493	0.8
182.07277	0.8
189.07068	0.4
190.06247	0.5
191.06989	4.1
193.06540	1.1
194.07256	0.9
195.08052	0.9
196.08751	0.5
197.05968	0.6
203.06992	1.9
204.06570	1.4
205.06483	1.1
206.07130	0.7
207.08029	2.6
209.05971	0.9
210.06783	1.7
211.07494	0.7
217.06465	0.4
221.05994	2.6
221.08127	0.9
221.67108	0.4
222.06723	1.0
223.07573	1.2
224.08295	1.1
225.05545	0.5
225.09174	2.0
227.06995	0.5
233.06012	1.5
234.06763	1.6
235.07408	1.6
237.09081	1.9
238.06255	1.1
239.06885	0.5
239.10690	0.9
241.08670	0.4
249.09166	1.0
251.07002	1.1
252.07710	0.7
253.08624	3.4
255.06628	0.5
255.10316	0.5
262.06424	0.5
263.06906	0.3
265.08600	2.9
266.09232	0.6
267.10217	3.2
269.08075	0.5
270.08850	0.5
277.08566	2.7
282.08759	0.4
283.09698	0.5
284.10443	0.4
285.11200	3.6
294.08868	2.5
295.09555	1.0
297.11285	2.4
299.12756	0.6
309.11176	3.4
313.10599	0.7
327.12158	1.3
345.06088	2.9
345.11911	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30202	0.8
50.47293	0.7
53.03944	1.2
53.34854	0.7
56.96558	2.2
57.03430	1.7
58.98640	0.8
61.02922	1.9
67.80236	0.7
69.03431	6.5
71.32773	1.7
72.08153	1.7
73.02914	1.9
81.03411	2.2
82.06557	1.8
84.22251	0.8
84.58218	0.8
85.02902	9.1
86.09699	1.0
87.04446	1.3
91.05466	1.1
92.04990	1.8
94.06548	0.8
94.98721	0.7
97.02892	3.0
101.02377	0.9
107.04974	1.3
109.02861	1.2
110.06023	1.3
119.06069	23.7
120.04464	4.8
123.04442	1.0
127.03933	1.9
137.05984	4.6
137.07111	6.1
147.05531	7.3
148.03955	3.4
148.06314	30.8
149.07094	21.6
150.05612	0.9
153.01794	2.3
165.06593	100.0
166.07355	4.3
183.07654	58.2
327.12222	0.9
345.12915	78.0
346.13342	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15198	2.0
55.01856	6.4
55.05502	4.9
56.05016	7.4
56.96561	69.0
57.03434	39.3
58.03775	2.5
58.99871	2.8
59.04981	2.5
61.02921	62.1
66.32638	2.2
69.03423	16.1
70.06583	8.6
70.84290	5.5
70.98113	12.7
71.01360	4.5
71.04993	25.2
72.08147	2.3
73.02914	20.6
74.97607	5.4
75.04465	3.7
81.03401	5.4
83.00774	3.3
83.01331	5.0
83.04958	6.7
84.08112	4.0
84.96022	9.0
85.02899	55.8
86.03240	3.7
87.00818	4.8
87.04480	5.1
87.42995	2.3
88.99161	10.9
89.00785	4.8
89.85601	2.3
91.02368	2.5
95.04912	3.1
97.02895	11.9
98.01268	2.8
98.97574	39.1
99.04439	4.6
100.99131	7.5
101.02362	6.8
105.02032	2.9
106.01012	4.1
107.00230	4.4
107.04986	3.4
109.02880	3.3
110.97569	5.9
111.00211	3.8
112.00984	3.4
112.08766	3.0
112.99114	4.6
113.02393	4.5
114.05507	2.2
115.03939	5.0
116.01311	2.7
116.98612	27.3
117.01921	7.9
118.01009	11.0
119.00134	4.0
119.01907	16.9
119.04949	3.2
120.00732	2.8
121.01583	3.8
123.04472	3.8
123.05500	3.4
124.03902	3.7
124.04693	2.3
124.95463	8.7
125.01778	2.8
125.03539	2.3
126.00787	2.6
127.01551	12.6
127.03943	16.9
128.98593	17.2
129.05495	3.7
131.00151	8.3
131.01810	2.8
131.03546	2.8
132.00719	9.3
133.01628	4.6
133.03444	4.8
134.53931	2.3
134.99663	12.0
135.01294	4.0
136.07579	12.4
137.02934	2.6
137.07919	15.2
141.01247	35.4
141.51410	4.6
142.96510	9.3
143.00172	6.9
145.01639	7.4
145.03435	3.4
145.04959	5.1
146.00409	2.7
146.99623	19.4
147.01317	5.8
147.04347	3.0
148.02025	9.6
148.03841	17.6
149.01160	4.5
149.02977	6.0
150.01796	36.6
153.01796	5.6
156.98087	4.8
157.02594	20.8
157.04419	5.6
157.52716	3.9
158.99640	11.1
159.01126	3.9
160.01955	3.0
160.97607	9.5
161.01097	6.4
163.02812	5.9
163.04422	7.5
165.00702	18.0
165.05441	4.7
165.07109	2.3
166.03101	6.4
166.04813	16.6
166.08727	3.1
167.08524	11.4
168.01753	3.7
168.53421	3.6
168.98111	3.2
169.02478	2.6
170.01534	3.7
170.96042	2.8
170.99602	4.6
172.97527	5.4
173.01164	7.8
174.01791	4.5
174.99120	11.1
175.00851	31.2
175.02518	4.4
177.00713	12.4
177.02299	5.3
177.06929	7.2
178.04936	19.2
178.98587	2.4
182.01511	9.4
182.08055	5.3
183.02348	5.0
183.07649	9.7
183.08719	4.4
184.01262	8.7
184.05972	10.5
186.99149	6.5
188.97066	12.7
189.00677	7.3
189.04149	3.1
190.98640	12.0
191.02159	15.7
191.08519	7.0
193.00198	16.5
193.01923	16.6
193.03760	5.1
195.07974	11.6
196.01233	15.6
197.02072	4.3
198.02843	6.9
200.02629	7.0
201.00656	4.9
202.98593	8.6
203.02086	3.9
204.02933	5.1
205.00150	7.3
205.01825	22.4
206.02654	8.5
206.98128	8.5
207.01738	6.8
207.03441	3.4
208.08859	3.4
212.02539	5.2
212.04529	3.4
212.10696	3.7
214.02293	12.3
214.98640	5.1
217.00180	5.9
217.02007	3.2
219.01685	12.0
219.08104	13.5
220.02324	4.0
220.99722	6.1
221.03169	5.7
221.09639	5.3
222.11250	2.4
223.01208	9.1
223.07541	6.1
225.08989	4.2
226.02330	48.9
226.52475	7.8
226.55849	3.1
227.06709	11.4
232.99663	4.8
233.03096	15.6
233.05016	2.8
235.02881	100.0
235.53210	12.5
236.07285	9.4
236.10732	16.7
237.02858	16.8
238.12225	10.1
240.10176	11.2
241.02676	2.8
242.03554	32.1
242.05417	5.7
242.07387	9.4
242.54027	3.8
242.99881	8.5
244.03436	11.5
244.99710	7.1
246.53745	4.1
247.00990	4.3
251.07867	16.7
253.13358	9.8
254.11729	9.8
263.00644	14.0
265.08575	9.5
269.08231	3.8
270.03067	3.6
275.02475	5.7
281.01831	8.3
282.11203	24.1
284.02789	3.5
285.03613	3.3
288.98492	3.1
290.02982	3.2
299.03403	12.5
299.13892	18.3
299.53488	3.8
300.12198	6.9
306.04230	3.7
311.09167	3.3
320.03857	5.8
325.07922	2.9
328.11884	17.3
329.04309	4.9
336.05148	3.1
345.13028	19.4
345.22266	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	345.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75563	0.9
56.96558	1.8
57.03445	1.2
60.04514	1.3
69.03426	2.6
69.81885	5.1
71.05008	1.5
73.02918	1.5
78.48568	1.0
81.03397	1.2
81.32819	1.1
83.04970	5.2
84.04504	1.4
85.02901	5.6
95.04958	1.4
97.02888	2.1
98.21468	1.9
98.97563	1.6
98.98469	3.9
101.02459	1.2
103.80884	1.0
109.02863	1.3
111.04457	2.8
113.06020	1.2
116.98597	1.4
119.01961	4.0
127.04008	1.0
131.01897	3.2
132.02684	1.2
132.17259	1.0
132.81905	1.2
134.99736	1.5
143.01872	1.4
145.03456	2.9
150.00806	1.1
152.31369	1.3
153.00990	1.3
154.94228	1.8
155.01947	1.4
158.97229	2.2
164.02565	1.2
170.03035	2.3
172.95248	4.6
173.03055	1.1
176.98355	2.1
177.01082	1.3
187.04485	2.1
189.00920	1.5
190.96347	3.6
193.02803	2.4
196.04576	1.3
197.02905	1.4
198.02586	2.9
200.98276	5.5
202.94511	2.1
203.02522	1.4
205.00482	1.5
212.98276	2.0
214.03178	1.5
214.05679	1.2
214.96509	20.1
219.02071	3.0
224.98331	1.1
230.99568	1.5
238.96353	2.7
242.99425	2.6
244.03033	3.3
256.97586	88.5
257.97690	5.4
262.96588	1.2
272.96881	2.0
278.91830	1.8
279.91977	3.5
279.99313	1.5
280.91797	1.5
280.97690	4.7
286.04117	8.8
294.92935	2.5
296.92941	4.6
297.93256	8.2
298.41263	1.5
298.98633	100.0
299.98727	7.8
302.04907	3.1
304.05164	5.5
306.91409	2.5
311.05487	1.1
319.44922	1.5
321.92972	1.9
322.00250	3.8
338.96585	2.0
339.94107	9.3
340.93823	3.2
351.96829	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2218
Annotation	Polysignine
Peak:m/z	Relative Intensity
55.05484	0.9
56.96535	0.4
57.07051	0.4
58.06580	0.6
66.85572	0.3
67.05481	1.0
69.07039	1.5
70.01933	0.5
70.02331	1.1
72.08099	0.5
79.05488	4.7
80.04996	1.1
81.07069	2.0
83.08629	0.4
85.02867	0.5
91.05476	3.8
93.07030	3.7
94.06575	0.7
95.04940	0.5
95.08593	1.7
103.04794	0.7
103.05459	10.7
103.47753	0.3
105.07019	2.8
107.04955	6.4
107.08588	2.2
108.08110	15.2
108.08846	0.8
109.08840	1.0
109.10132	0.4
110.09660	1.2
117.07030	0.7
119.08559	0.8
119.66627	0.3
120.08101	3.8
121.06480	0.6
121.08881	0.4
121.10152	0.4
122.09658	10.4
123.10456	2.1
129.50352	0.3
130.06531	3.6
131.04926	5.5
131.40889	0.3
132.08090	2.2
133.10034	0.5
134.09619	0.4
135.11661	1.9
136.11188	4.3
137.05948	0.7
137.13219	0.6
148.11235	0.9
149.05998	0.6
150.12766	24.2
151.13567	6.9
152.14345	3.4
153.12724	0.4
154.08586	0.3
161.13255	0.3
166.08658	0.8
166.12244	0.6
170.09598	0.7
172.11182	0.4
176.07120	0.4
180.10201	5.0
184.11227	0.6
198.12726	0.4
200.14314	0.8
209.14108	0.6
212.14290	0.4
226.15862	0.6
228.10143	2.2
229.07379	0.5
230.11787	0.8
232.13364	0.5
232.61292	0.4
246.11266	1.2
246.14909	1.5
254.19029	3.6
258.15036	0.5
270.14899	1.9
272.20209	0.6
298.18027	1.1
299.08643	0.5
300.19550	100.0
301.19806	4.1
302.21194	2.7
316.22675	0.4
344.22168	59.3
345.13272	0.5
345.22440	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	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
61.02907	1.3
64.01552	0.5
69.03436	2.8
70.74852	1.1
73.02907	0.5
79.62101	0.5
81.03425	0.7
85.02899	15.5
91.03988	0.7
91.05471	4.6
97.02890	4.0
99.04456	1.1
102.74149	0.5
109.02875	1.1
119.04934	17.9
120.75745	0.4
123.04453	2.5
127.03902	2.5
145.04932	4.3
147.04398	100.0
147.14502	0.4
148.04688	1.2
162.07413	0.5
165.05464	57.1
180.08669	1.7
182.08089	0.7
276.67999	0.4
338.24649	0.4
344.13406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61427	0.7
51.02366	0.9
53.03953	0.8
54.74459	0.8
55.01865	2.3
56.96571	6.4
57.03429	4.2
58.47488	0.7
60.04512	3.3
61.02930	4.1
61.53564	0.8
69.03426	12.4
69.68470	5.8
70.06562	0.9
71.04981	1.5
72.08127	0.8
73.02931	2.7
73.85914	0.7
74.97601	0.9
79.01859	1.6
79.05491	1.3
81.03411	5.0
82.06558	1.1
84.04497	1.7
85.02906	28.4
85.03416	1.6
86.09733	0.8
87.04455	2.3
91.03946	1.7
91.05473	16.1
93.07040	0.7
95.04972	3.5
97.02888	12.3
98.06016	1.0
98.97557	4.6
99.04461	2.1
99.70077	0.9
103.05469	1.7
107.04957	3.9
109.02894	3.0
111.04471	1.1
115.03939	0.9
116.98636	4.8
119.04940	37.8
121.06482	4.4
122.03820	0.8
123.04424	17.4
123.60142	0.8
124.07612	2.5
126.05492	0.9
127.03915	8.1
128.98582	1.3
131.04904	1.5
133.02858	6.5
134.99689	4.6
135.04398	3.7
136.07573	86.3
136.47321	0.8
137.05952	6.1
137.07813	0.9
143.03439	2.6
145.04936	4.9
146.99626	2.6
147.04405	8.3
149.05972	3.7
150.05495	0.8
150.06694	0.9
153.00577	2.0
153.01822	33.4
153.02905	1.5
160.07623	1.1
164.07050	3.4
165.05460	12.1
167.07051	2.7
174.07556	1.5
177.00693	2.3
178.08614	2.1
181.01682	1.0
182.08121	100.0
184.00490	0.8
184.03865	1.4
185.01154	1.4
192.08708	1.6
193.04356	5.0
197.01285	2.7
197.04433	1.8
199.02768	1.8
202.04930	2.6
204.55186	1.6
208.04889	1.3
209.01114	0.9
210.07503	1.8
212.98338	0.9
215.02147	1.1
217.05479	1.5
218.08015	1.0
219.01781	1.3
221.04489	1.7
223.02936	1.1
224.09209	4.7
226.01375	1.1
227.02255	3.6
234.04593	0.9
237.03175	1.7
241.03835	1.8
245.03235	1.6
246.03865	2.0
253.00142	1.7
267.05359	1.0
271.01141	2.3
271.04202	0.8
275.06793	2.6
275.56564	0.9
281.03223	1.0
290.07196	1.2
308.11328	1.4
314.08325	0.9
320.06339	4.2
320.56677	1.7
326.08667	1.7
326.12360	2.2
329.01697	2.3
335.06821	1.0
344.09671	3.7
344.13385	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04518	28.1
67.05499	7.1
69.03412	7.6
70.06595	7.2
71.59307	5.4
72.08141	5.2
79.05472	7.1
81.07030	7.4
85.02893	10.4
91.05478	15.7
95.05014	6.2
97.02879	5.7
104.51236	4.1
105.06982	6.4
107.04952	6.4
107.32839	4.5
109.96873	5.0
116.01714	4.8
119.04983	21.5
119.07307	15.4
126.29494	4.6
137.05916	6.7
142.03169	9.2
143.03430	8.5
147.04402	100.0
152.05353	7.0
153.01808	19.3
165.05467	44.2
166.08792	4.5
198.05904	8.8
277.75711	4.3
298.07605	5.4
298.10751	16.9
326.23221	19.1
344.14218	8.2
344.24454	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	343.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
55.05508	12.5
56.96556	3.9
57.03428	3.7
57.07061	2.8
58.06593	3.0
67.05499	21.6
69.03430	3.2
69.07061	17.0
69.59251	9.9
69.59676	6.7
70.06577	2.3
71.04991	4.7
72.08128	2.5
78.75866	2.2
79.05486	22.5
81.03407	3.7
81.07052	67.2
81.10942	2.4
83.08617	9.5
84.04503	4.9
85.02900	6.4
85.06567	4.8
91.05475	16.9
93.07041	31.8
95.04967	12.4
95.08602	44.8
97.02866	2.6
97.06535	3.8
97.10159	3.3
99.08121	3.4
103.05490	13.5
105.07013	17.2
107.04965	10.9
107.08594	19.5
107.45346	2.8
108.08158	11.6
109.06500	5.4
109.10159	23.8
111.08131	3.3
111.11694	2.5
112.39243	2.2
117.07006	4.4
118.56814	2.4
119.04916	3.3
119.08553	12.0
121.02904	6.1
121.06493	4.9
121.10125	15.4
122.09698	9.7
123.04423	5.7
123.08101	3.8
123.11730	10.2
124.07562	4.2
125.06016	2.7
127.03896	2.7
127.07534	2.7
129.07031	6.3
130.06531	3.6
131.04951	7.1
131.08537	6.0
132.08112	2.9
133.06425	3.3
133.10139	9.2
135.04388	2.9
135.11690	12.6
136.11226	4.9
137.05942	12.0
137.09656	6.8
137.13240	4.5
139.03935	4.1
139.11147	2.5
141.68584	2.2
145.08615	2.6
145.10138	8.0
147.04463	4.0
147.11630	6.1
149.05983	3.1
149.13252	10.2
150.12779	24.1
151.03912	4.3
151.07596	3.4
151.11124	2.8
151.13589	6.2
152.14316	5.2
153.01807	3.5
153.85893	2.8
157.06444	3.9
159.11682	5.3
161.05984	7.2
161.13304	8.5
163.03951	4.7
163.07599	2.6
163.11206	9.4
163.14879	3.5
167.07053	8.5
173.13287	4.4
175.07494	4.7
175.14824	6.4
180.10237	3.9
181.08597	12.5
181.12158	3.1
189.09085	13.4
189.16338	4.6
191.03334	4.7
191.18134	2.6
207.06483	3.2
211.16924	6.2
215.06883	2.8
215.17976	2.6
225.72028	2.3
228.10184	6.8
228.12335	12.9
230.13004	2.4
246.11240	4.4
254.18932	4.1
268.07507	2.5
269.08179	3.4
271.24210	6.4
285.03824	3.2
289.25250	13.0
297.11453	3.1
300.19559	100.0
302.06671	4.1
307.26395	7.1
311.12701	5.9
325.10803	4.3
326.06558	3.0
343.04474	4.5
343.08142	5.0
343.11542	13.0
343.15268	3.1
343.16797	5.1
343.22986	3.6
344.07880	3.7
344.22183	89.6
361.02344	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	343.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	11.1
55.05256	4.8
55.05508	68.6
56.96545	4.7
57.03436	19.1
57.07052	4.3
59.04984	3.6
67.05170	5.1
67.05501	70.4
69.03420	3.5
69.06714	4.8
69.07063	56.8
70.24789	2.5
71.04980	8.4
71.59521	5.3
79.05489	53.7
81.03398	3.2
81.07053	100.0
83.04981	14.9
83.08610	44.1
85.02892	6.4
85.06519	4.7
91.05460	18.5
93.07034	59.7
95.04964	7.4
95.08603	91.6
97.06531	16.6
97.10165	28.7
105.07027	14.0
107.04920	7.2
107.08598	31.9
109.06503	6.5
109.10152	62.7
111.08071	11.1
116.98631	2.8
117.06994	5.1
119.08572	13.2
121.10147	34.5
123.08035	3.3
123.11691	19.0
125.09628	20.5
131.04898	3.7
131.08551	11.6
133.10124	14.9
135.11607	16.3
137.05960	8.4
137.09657	6.4
137.13234	5.0
139.03941	3.9
139.11111	15.8
145.10109	13.1
147.11673	8.8
149.13251	5.6
151.07527	4.4
151.11160	6.0
159.11691	7.1
161.05968	15.2
163.11157	6.0
167.14346	2.8
173.11882	3.4
173.13249	6.1
175.14784	3.7
181.08575	3.7
181.12132	3.0
187.13179	6.0
187.14746	3.0
190.09586	3.1
195.13774	3.4
203.12820	6.1
215.17921	16.4
233.19020	35.9
243.30963	2.6
246.39427	3.2
251.20059	86.9
269.21149	5.4
325.23688	15.4
330.61819	3.4
343.11700	6.0
343.15424	7.0
343.24808	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03935	7.6
55.01856	7.0
55.05504	20.9
57.03419	9.4
57.07063	9.2
59.04984	7.8
60.58961	2.3
61.45577	2.2
65.03949	3.8
67.05496	38.2
69.03413	10.7
69.07056	8.4
69.30405	22.0
71.04986	27.2
79.05492	32.7
81.03410	3.5
81.07046	40.5
83.04987	4.5
85.06535	5.2
91.05472	46.1
93.07037	89.1
93.07623	4.3
95.04959	65.8
95.08600	100.0
97.06532	19.0
103.05441	5.1
105.07020	96.2
107.04922	7.4
107.07863	4.4
107.08582	66.1
109.06527	20.8
109.10156	7.3
115.05432	9.6
117.07006	43.6
119.08553	32.6
119.28878	2.0
121.06504	17.2
121.10120	19.5
122.07330	2.7
123.08072	31.6
128.06255	4.9
129.06990	7.6
130.07777	19.1
131.08556	18.3
133.06464	7.2
133.10121	24.4
135.08047	29.7
135.11681	17.6
137.05983	3.8
137.09610	5.8
142.07755	5.2
142.68451	2.2
143.08537	15.4
145.06488	3.4
145.10112	92.2
147.08067	16.3
147.11700	4.6
149.09601	7.7
149.13237	2.6
151.07523	46.4
153.09084	2.3
155.08542	2.9
156.09344	2.6
157.10106	8.4
158.26907	2.7
159.08064	3.6
159.11687	7.1
160.08846	2.2
161.09592	9.3
161.13228	6.1
163.07515	3.9
163.09846	4.0
163.11168	59.2
165.09079	19.7
167.08470	2.2
169.10150	3.7
171.11670	6.7
173.09680	5.4
173.13232	6.1
175.11208	4.9
177.09120	8.2
179.07051	5.3
181.10197	3.8
181.12161	3.0
183.11630	3.0
185.09639	2.4
185.13322	6.4
187.11201	7.4
187.14879	3.7
189.09149	4.0
189.12730	16.6
191.10622	3.0
191.14273	3.1
191.36671	2.4
195.11723	3.3
197.13182	5.0
199.11244	3.2
203.14322	9.9
207.10162	3.5
207.13789	7.3
209.13316	3.3
209.15347	4.2
213.12766	2.5
215.14334	5.3
217.12228	4.2
221.15305	32.2
223.14940	2.5
225.12807	3.3
233.15347	3.2
241.15863	2.6
243.13739	2.7
263.16406	10.0
274.19260	2.9
286.19110	4.4
325.21710	9.9
343.22653	88.2
343.26376	16.7
344.23148	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	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03936	4.8
55.01863	5.1
55.05511	19.8
57.03426	10.1
57.07058	10.5
59.05003	2.9
62.96650	2.4
67.05501	30.9
69.03413	11.3
69.07048	6.9
71.04990	25.5
73.37585	2.8
79.05497	29.0
81.03400	8.2
81.07059	28.0
83.04993	4.5
83.08630	4.4
84.94455	2.8
91.05471	39.4
93.07040	78.8
95.04961	61.8
95.08600	87.4
97.06528	16.8
105.07031	88.4
106.07357	2.7
107.04998	3.1
107.08588	62.3
108.05711	2.6
108.55149	2.8
109.06531	20.3
109.10146	4.3
115.05455	3.8
117.07002	36.4
119.04929	2.8
119.08569	32.5
121.06529	18.3
121.10150	17.9
123.08061	36.3
128.06216	4.0
129.07051	6.2
129.23250	2.6
130.07750	20.8
131.08545	10.1
133.06459	8.7
133.10098	16.0
135.08046	29.6
135.11682	18.9
137.05954	3.3
137.09653	4.4
142.07780	3.6
143.08548	12.4
145.10120	100.0
147.08054	16.6
147.11728	6.2
149.09612	9.9
151.07523	47.5
152.07805	2.9
153.09140	6.6
156.09276	3.0
157.10101	10.2
159.07997	3.4
159.11693	11.4
161.08417	2.8
161.09610	13.4
161.13194	6.3
163.11182	70.7
165.09094	22.7
169.10190	3.2
171.11687	7.0
171.29942	2.5
173.09702	3.6
173.13269	3.6
174.10382	2.7
175.11122	3.5
177.09108	6.3
179.07056	4.4
179.10638	3.1
181.12190	3.8
183.11742	3.5
185.13246	3.0
187.11195	6.9
188.11884	3.2
189.12762	9.8
191.14410	3.4
197.13245	3.5
199.14771	3.1
203.14279	11.7
207.13771	5.0
209.13264	4.2
209.15234	4.8
221.15366	30.3
225.16180	3.2
233.15359	5.7
263.16354	7.7
267.17545	3.9
269.15292	3.8
269.19363	2.9
307.20465	4.4
325.21561	10.9
343.22656	96.4
344.23019	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2266
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03937	8.3
55.01859	7.3
55.05503	21.7
57.03417	7.9
57.07062	11.4
59.04982	8.5
59.62596	2.1
65.03926	3.2
67.05505	33.0
67.68067	2.5
69.03419	10.8
69.07066	7.6
69.88145	16.3
71.04995	21.7
79.05495	25.9
81.03425	3.6
81.07055	31.9
83.04946	7.7
85.06536	4.0
91.05473	42.6
93.07038	84.3
95.04968	66.4
95.08604	92.1
97.06533	20.4
98.20803	2.9
105.07024	99.1
106.07378	2.5
107.04953	5.4
107.08589	55.9
108.08949	3.2
109.06507	18.8
109.10139	6.8
111.08104	3.2
115.05454	5.6
117.07014	41.0
119.07790	3.4
119.08593	38.0
121.06511	22.1
121.10141	20.0
123.08072	33.1
123.11697	2.4
125.09731	2.7
128.06232	3.1
129.06985	7.2
130.07768	22.1
131.08577	13.9
133.06436	5.3
133.10114	17.7
135.08043	29.4
135.11679	20.4
137.09674	6.4
141.06987	2.8
142.07849	3.8
143.08546	12.5
145.06424	4.3
145.10121	100.0
146.10504	3.6
147.08025	14.4
147.11655	5.2
149.09578	8.6
151.06412	4.5
151.07530	54.8
153.09126	5.0
155.08545	4.4
156.09393	3.7
157.10124	11.4
159.08057	4.1
159.11702	9.7
161.09621	11.3
161.13261	5.2
163.11180	70.2
165.09071	19.3
169.10162	4.0
171.11682	7.0
173.09677	6.6
173.13226	5.5
175.11209	7.2
177.09128	7.6
180.04640	2.4
181.10135	3.4
182.10986	2.7
183.11638	3.5
185.09627	2.8
185.13185	5.1
187.11111	6.9
189.09103	3.8
189.12724	13.4
191.10573	2.8
191.14285	4.7
194.64095	3.2
197.11639	3.3
197.13283	3.9
203.12662	2.8
203.14168	12.6
207.10149	3.8
207.13847	6.8
209.13322	4.9
209.15240	4.5
213.12701	3.1
215.14317	3.7
217.12230	3.7
221.15373	39.1
225.16287	2.6
263.16397	7.7
269.15396	5.4
273.10165	2.6
286.19202	4.6
287.19904	3.2
325.21689	10.6
343.22668	96.5
343.26791	5.4
344.22995	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	343.1538
Annotation	Xestosaprol B
Peak:m/z	Relative Intensity
53.03941	1.3
54.29980	0.8
55.01855	1.5
60.71965	0.7
64.32159	0.8
65.03899	0.9
67.05479	1.2
69.80418	5.3
70.06560	1.0
79.05479	3.9
81.07050	1.3
91.05460	5.2
93.07059	1.0
93.31815	0.8
94.04153	3.0
95.04948	2.2
97.02872	1.0
103.05458	5.1
105.07029	5.4
107.04944	7.8
109.06496	1.0
115.05434	4.2
117.07003	2.4
119.04959	1.4
121.06466	2.0
122.03620	7.4
129.07002	1.6
130.04112	1.6
131.04930	7.4
131.08566	1.1
132.76932	0.8
133.06465	4.5
135.08028	1.4
137.05962	100.0
138.06308	2.1
141.06984	1.8
143.04893	1.3
145.06483	1.9
146.03604	4.3
147.04390	3.9
147.08020	1.8
149.05966	5.9
151.03880	1.9
151.07541	8.1
153.01845	2.2
157.06409	0.9
158.07265	1.5
160.05254	1.2
161.05957	21.4
162.06711	5.4
163.07532	14.7
163.11214	0.9
165.06989	1.7
166.07654	1.3
167.07076	4.8
167.08322	1.3
169.06480	2.3
170.94347	0.9
173.09605	1.6
174.06734	1.6
175.07542	16.1
177.05452	1.9
177.06877	1.4
177.09163	3.9
179.08513	2.5
181.06445	1.1
181.08600	2.8
183.08057	1.0
187.07542	2.2
189.06978	1.2
189.09081	1.4
190.07729	1.9
191.08517	1.6
193.06639	1.0
193.08582	1.9
194.07228	3.6
195.07990	1.4
201.05420	1.6
201.09015	4.2
203.08601	0.9
204.09283	1.1
205.06462	4.6
205.10103	3.6
207.08046	3.6
208.08763	1.1
209.05817	1.3
209.09669	2.4
211.07535	2.0
215.08527	1.5
218.07260	1.7
219.08176	1.4
219.10115	4.3
221.05951	2.8
221.09647	1.4
222.06691	3.2
223.07350	1.9
224.08336	1.7
225.09041	1.4
232.08876	1.0
233.05997	1.7
233.09544	6.1
235.07524	3.7
236.08315	1.8
237.05446	1.4
237.09048	7.8
237.12749	1.1
238.09666	0.8
239.07057	1.7
239.10571	1.8
241.08536	2.0
247.07590	1.0
249.05351	1.3
250.06227	3.0
250.09882	2.3
251.06903	2.1
251.10687	2.1
252.07834	2.2
253.08578	2.3
254.09337	3.3
261.09058	4.2
262.09818	1.1
263.06973	1.9
264.07788	1.9
265.08630	9.4
265.11783	4.8
266.09106	1.0
267.06424	1.2
267.10193	5.9
269.08075	4.2
269.11282	0.8
277.08521	1.3
278.09283	3.5
279.10031	2.5
281.08047	1.7
282.08817	7.1
282.11993	1.3
283.09549	1.1
284.10391	5.4
293.11667	11.6
294.12320	3.5
295.09540	2.5
296.10236	1.1
297.11240	36.1
297.14703	4.0
298.11417	2.0
299.12732	15.7
300.13022	1.0
310.12039	4.4
311.12750	8.2
325.10663	1.7
325.14319	22.9
343.15292	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	343.1538
Annotation	Xestosaprol B
Peak:m/z	Relative Intensity
50.31104	0.7
50.68024	0.6
67.05492	1.1
67.39025	0.7
69.39433	1.6
69.39830	7.3
79.05498	2.5
81.07061	1.7
85.06556	1.2
91.05476	4.7
93.07071	0.9
94.04185	2.6
95.04977	1.8
95.08635	1.0
103.05461	6.2
105.07015	5.1
107.04945	7.4
107.08604	1.6
112.95327	0.9
115.05427	4.4
117.07026	2.0
119.04962	1.2
119.74169	0.8
121.06504	1.5
121.74443	0.9
122.03640	8.2
128.06232	1.3
128.69098	0.8
130.04170	1.9
131.04947	5.3
133.06468	5.7
135.08032	2.4
137.05974	100.0
138.06313	1.8
141.07007	1.9
145.06485	1.9
146.03625	3.9
147.04405	4.3
147.08035	1.5
149.05948	4.7
151.03925	1.8
151.07547	5.7
157.06459	1.3
158.07214	0.8
161.05969	22.8
161.07233	1.6
161.09590	1.1
162.06747	6.8
163.07552	17.6
165.07007	1.9
166.07782	1.9
167.07079	4.1
169.06505	2.3
170.09068	0.9
173.06015	0.9
173.09676	1.9
174.06763	1.6
175.07539	15.5
176.07933	0.8
177.05453	1.7
177.06879	1.2
177.09102	3.9
178.07782	1.1
179.08560	1.9
181.06453	1.8
181.08588	1.7
183.08040	1.1
189.07079	1.1
189.09134	1.9
190.07829	1.2
193.08629	1.4
194.07309	3.3
195.08023	2.4
201.09146	3.6
203.08488	1.2
204.09377	0.9
205.06541	2.1
205.10118	3.5
206.07257	1.2
207.08041	3.9
208.08849	0.8
209.05988	1.3
209.09648	2.1
211.07704	1.9
215.08530	1.0
218.07288	3.2
219.08163	1.7
219.10004	4.0
221.06015	2.4
221.09525	2.0
222.06750	2.7
222.10286	0.8
223.07620	2.3
224.08330	2.2
225.09042	1.5
226.09898	0.9
233.09520	6.2
235.07542	4.4
236.08293	1.6
237.09135	6.6
239.06941	3.0
239.10678	1.2
241.08540	1.4
247.07527	1.5
249.05429	1.1
249.09015	0.9
250.06238	2.4
250.09924	3.0
251.07034	2.6
251.10832	1.2
252.07851	1.1
253.08644	3.4
254.09459	2.5
261.09204	4.5
263.07153	1.5
264.07782	1.5
265.08633	9.1
265.12201	4.0
267.10233	4.8
268.07568	1.2
269.08121	4.3
269.11774	1.9
278.09396	3.5
279.10187	3.6
281.08011	1.8
281.11862	0.9
282.08884	5.7
284.10486	3.6
293.11688	11.3
294.12372	5.0
295.09631	2.3
297.11230	37.8
297.14743	3.0
298.11508	1.9
299.12762	14.9
310.12082	3.3
311.12729	10.7
312.13248	0.9
325.14301	19.4
326.14777	1.8
343.08197	1.5
343.11554	1.7
343.15259	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	343.1537
Annotation	Obovatifol
Peak:m/z	Relative Intensity
53.03943	0.5
54.73150	0.5
55.01880	1.1
55.05506	0.6
56.96569	0.6
57.03416	0.5
60.18878	0.6
67.05485	1.7
69.03412	0.6
69.07047	0.5
73.68261	0.5
78.22002	0.5
79.05486	4.0
81.07049	1.5
82.53364	0.6
83.01322	0.7
85.02858	0.7
91.05458	2.8
93.07019	1.3
93.36742	0.4
94.04171	2.1
95.04961	2.0
95.08632	1.1
97.02890	0.5
97.06494	0.5
103.05461	14.6
105.07027	20.2
107.04935	0.9
107.08582	1.2
109.06496	1.6
115.05455	8.9
118.04120	0.8
119.04894	0.5
119.08568	0.7
121.06523	1.2
122.03648	3.5
123.08087	1.2
129.05463	0.6
129.06982	0.7
131.04010	0.9
131.04926	11.4
133.06485	12.7
135.04419	0.7
135.07990	1.1
136.05150	0.9
137.05971	30.7
138.06744	1.3
139.03853	0.7
139.07527	0.5
143.04903	3.8
143.06035	1.1
143.08568	0.5
145.06493	0.5
145.10100	0.6
145.96219	0.5
146.03604	4.6
147.04381	1.4
149.05977	0.9
151.07532	5.3
153.01784	0.5
153.05513	0.5
153.09109	1.2
154.06226	0.6
157.06454	0.7
159.08038	0.7
159.11595	0.6
161.05972	100.0
162.06409	3.7
163.07491	1.2
163.11058	0.5
165.06990	0.8
166.06248	0.5
167.06966	0.6
169.08508	0.5
175.07558	6.0
176.08006	0.7
180.09169	0.6
181.06430	0.7
181.06688	0.7
181.08595	12.0
181.10158	1.0
183.10176	1.8
186.06648	0.6
189.05487	0.9
190.07776	0.6
191.07024	1.1
191.08549	0.8
195.10106	0.7
205.08470	0.6
207.07980	1.0
208.08865	0.9
209.09637	0.9
216.14841	0.5
219.08124	1.1
219.10207	1.7
221.05972	0.6
221.09612	0.6
222.10239	0.5
223.11154	1.3
225.09087	2.0
226.09837	0.6
236.08380	1.2
237.09024	1.2
240.11343	0.7
241.12085	0.6
249.08885	0.6
251.10641	2.8
252.11278	0.7
253.08575	3.3
253.11963	0.5
254.09338	1.1
265.08585	1.6
267.10056	1.3
268.11032	3.4
269.11703	1.8
270.08759	0.8
279.10132	2.0
281.07983	2.4
282.08786	0.8
283.13275	2.0
284.13998	0.7
285.11090	1.6
295.09760	1.0
296.10223	1.9
297.08200	0.5
297.11179	2.7
298.08359	0.7
311.12756	8.2
312.10123	0.7
312.13470	1.5
313.10706	7.0
314.10791	0.7
324.63449	0.5
327.12085	1.1
328.12967	2.1
343.15381	35.4
343.22192	1.4
344.15808	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	343.1174
Annotation	3,5,6,7-Tetramethoxyflavone
Peak:m/z	Relative Intensity
50.29106	0.3
56.16846	0.4
56.96563	0.6
57.91196	0.4
61.02929	0.4
67.05480	1.3
69.44339	0.8
69.44745	2.6
79.05474	1.3
81.07029	1.2
85.02885	0.6
91.05467	0.9
93.07032	1.3
95.04948	0.8
95.08567	1.0
103.05435	0.4
105.03449	0.5
105.07001	1.1
107.08583	1.0
114.33160	0.4
119.08513	0.6
121.02853	4.4
124.99564	0.4
129.07028	0.5
131.04904	1.3
131.08562	0.6
133.06485	1.1
133.10089	0.6
145.10161	0.5
147.04424	0.5
151.07500	0.4
159.04385	1.0
161.05966	1.5
165.06944	0.4
171.08051	0.4
181.04958	1.1
181.06444	0.5
183.08038	0.4
187.03928	5.1
191.03404	0.6
195.08073	0.5
211.07547	1.8
223.07596	1.0
224.08272	0.4
225.09134	1.1
227.06995	0.6
239.06940	1.9
243.10187	0.6
251.07121	0.5
252.07967	0.9
253.08606	6.6
255.06728	0.4
256.07281	0.5
266.06021	0.6
267.06555	4.5
269.08054	1.0
271.09598	1.0
274.93390	0.4
279.06525	3.5
280.07306	1.0
281.08020	5.6
282.08823	6.8
283.06046	3.0
284.06815	1.1
285.07507	3.9
291.06476	0.5
292.07263	0.7
293.08090	0.5
294.05249	1.2
295.05951	1.1
297.07547	1.8
298.08249	0.6
299.09116	6.0
300.09778	0.5
309.07553	24.9
310.08286	9.7
311.09030	0.9
312.06210	0.9
313.07028	9.4
327.08609	32.2
328.09268	3.7
343.11746	100.0
343.22586	2.5
344.12225	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1173
Annotation	ISOTECTORIGENIN TRIMETHYL ETHER
Peak:m/z	Relative Intensity
55.01878	0.2
65.03933	0.2
68.20311	0.1
69.41161	0.5
69.41595	0.7
74.69615	0.1
79.05475	0.3
81.07050	0.3
91.05461	0.3
93.07015	0.2
95.04914	0.2
95.08646	0.2
103.05429	0.2
105.03401	0.2
105.07043	0.2
106.04147	0.1
107.04936	0.6
108.05688	0.1
111.04407	0.2
121.02852	5.6
121.06493	0.2
123.04406	0.3
131.04874	0.1
132.05725	0.2
133.02847	0.2
133.06479	0.3
134.03587	0.3
135.04364	0.7
137.05962	0.2
143.91602	0.1
145.10106	0.2
147.04395	0.4
149.05951	0.4
151.03894	0.4
159.04413	0.2
161.05948	0.5
163.03899	1.2
165.05469	0.4
165.06926	0.2
177.05478	0.3
179.03397	1.3
179.06995	0.2
181.05055	0.2
181.06511	0.2
183.07993	0.6
191.03397	0.6
193.04968	0.3
195.08054	0.1
200.83632	0.1
201.05429	0.2
211.07509	1.0
221.05922	0.1
223.07414	0.2
225.09071	0.5
229.05005	0.2
229.08566	0.5
237.09065	0.3
239.07027	0.9
241.08577	0.1
251.06998	0.2
252.07762	0.5
253.08456	0.6
254.09283	0.9
255.06331	0.2
257.08032	0.5
263.06860	0.2
267.06479	1.1
269.08160	0.3
269.12143	0.1
270.05304	0.2
270.08826	0.5
271.09698	0.1
281.08081	1.2
282.08841	2.9
283.06042	1.0
283.09030	0.2
284.06714	0.4
285.07541	3.9
287.05603	0.2
295.05939	0.4
297.07556	4.1
298.08298	2.4
299.09106	4.6
300.09793	0.2
309.07578	4.4
310.08322	20.3
311.05508	0.3
311.08902	1.0
313.07022	74.0
314.07367	1.8
325.10687	0.3
327.08597	7.3
328.09375	39.8
329.09686	1.0
330.07343	0.9
343.11725	100.0
344.12054	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	342.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
54.87687	1.1
55.05518	7.3
57.03440	1.4
57.07069	14.7
59.04981	1.6
61.02915	1.7
69.03426	3.9
70.06567	1.1
70.75941	2.7
78.34133	0.9
81.03397	1.7
83.08611	3.5
85.02901	17.2
89.05472	2.2
89.06023	40.3
97.02882	4.1
97.47829	1.2
99.87922	1.0
101.09650	16.6
107.07059	37.8
109.02877	1.9
127.03923	2.5
133.86234	1.0
137.05974	1.2
145.03069	1.1
145.04959	4.4
148.02736	1.0
163.13281	100.0
164.13718	1.3
343.09668	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06763	4.1
50.48360	4.9
51.40914	4.6
55.05507	23.4
55.94698	6.1
57.03437	7.2
57.07060	18.5
67.05502	36.1
69.07059	27.0
71.04989	27.3
71.08615	13.4
75.98967	4.9
78.64489	5.3
79.05479	28.2
80.31414	4.8
81.07052	100.0
83.08598	20.0
85.06525	8.0
85.10155	5.5
91.05489	20.7
91.90229	4.2
93.07035	70.8
95.08033	8.3
95.08598	81.1
97.06533	5.4
97.10142	11.9
105.07017	44.7
107.08581	60.5
109.06509	25.7
109.10145	41.4
111.08061	11.6
117.06995	10.6
119.08576	95.9
121.10136	58.8
123.11691	21.8
131.08531	15.9
133.10098	36.7
135.11699	28.0
137.09650	8.2
143.08511	8.8
145.10117	24.5
147.11662	23.6
149.13264	39.0
155.08466	4.6
157.10121	19.7
159.11682	48.4
161.13167	24.5
163.14832	29.0
171.11678	9.6
173.13242	39.0
175.14867	18.2
179.14297	5.2
185.13304	10.0
187.14793	21.0
189.16403	16.9
191.17946	21.3
199.14789	13.6
201.16412	13.6
203.17914	7.4
211.14645	5.1
213.16357	21.8
215.17961	12.3
225.16339	9.9
227.17905	18.8
229.19482	6.0
244.39336	5.4
253.19504	6.9
257.22623	12.3
262.10327	4.8
267.21075	13.6
283.24213	69.8
284.24548	6.5
323.27307	60.7
326.36594	4.7
341.27945	61.2
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	Letestuianin A
Peak:m/z	Relative Intensity
51.72599	1.5
55.01882	2.3
55.05501	2.2
56.96555	3.3
67.05485	3.0
69.03423	3.4
69.07065	12.9
70.06583	2.8
70.66218	4.7
79.05481	6.3
81.03421	2.0
81.07053	8.7
83.04958	2.4
85.02901	2.6
86.09688	5.9
91.05445	11.5
93.07035	5.7
94.04171	3.3
95.04974	3.6
95.08609	4.2
97.02855	2.6
97.06531	2.4
100.11275	2.1
103.05456	6.2
105.07017	13.4
107.04921	2.1
107.08596	3.3
109.06483	4.0
109.10126	3.2
115.05459	4.0
117.07037	3.4
118.04132	1.5
119.04942	5.5
119.08569	6.4
121.06522	2.0
122.03648	9.7
123.11733	2.8
128.06206	3.2
129.06978	10.1
129.34926	1.3
131.04933	5.7
131.08618	2.4
132.05707	3.8
133.06493	9.9
133.10120	5.2
135.08040	2.3
135.11723	1.6
137.05972	100.0
138.06238	1.4
141.06953	1.8
143.04953	2.1
144.05693	1.8
145.06491	2.9
147.04385	5.7
147.08041	5.3
149.06021	3.4
151.03906	4.6
151.07602	3.6
153.01840	3.2
157.06488	4.6
158.07254	1.7
159.08073	4.2
160.05156	2.4
161.05968	21.1
161.09593	2.1
162.06624	1.9
163.07503	2.4
164.10660	2.2
165.05573	1.7
167.07057	2.7
171.11678	1.6
172.05202	4.5
174.06766	3.2
175.07533	44.2
177.09146	3.6
178.07761	1.6
179.10690	10.0
187.07526	25.7
189.07475	1.6
189.09059	8.9
190.07768	3.5
191.07033	2.9
191.08568	7.8
199.07518	2.9
202.07745	3.8
203.08549	8.3
205.06339	2.4
206.07144	1.7
207.08089	2.3
211.07475	1.7
217.08565	10.3
219.08008	13.2
220.08842	3.4
221.09737	2.0
227.07045	2.4
227.55362	1.5
231.08043	12.1
233.06094	1.6
233.09459	1.5
234.06786	2.4
235.11386	1.6
236.08357	3.1
237.09079	5.1
238.22321	1.4
239.06909	1.8
247.07559	7.2
248.08270	8.6
249.09048	2.1
251.07001	2.2
251.10713	12.2
255.06320	2.6
259.07520	6.2
260.08328	1.7
261.09131	3.0
263.06802	1.6
263.10629	7.6
264.07852	1.6
265.08636	4.9
270.08875	2.3
271.09787	2.3
276.07733	3.0
277.08704	3.0
277.11798	1.6
279.10190	12.8
280.10947	1.7
281.08133	2.9
281.11694	3.5
291.10168	18.9
293.08182	2.5
296.10635	3.4
297.11133	2.3
302.04126	3.8
308.10519	3.0
309.11240	15.8
311.12878	11.3
315.04971	2.5
323.12692	12.1
323.15750	1.4
341.13489	24.8
342.06027	5.2
351.41077	1.5
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
52.48095	1.0
55.01871	1.6
56.96574	1.2
62.33484	1.1
63.05072	1.1
64.70016	1.1
65.03937	2.2
69.29124	12.8
71.04960	1.3
73.74369	1.0
79.05486	4.8
81.07056	2.0
85.02937	2.7
85.96185	0.9
86.72397	1.1
88.54127	1.4
91.05473	9.0
93.07027	1.5
94.04189	3.9
98.21555	2.5
103.05478	6.1
105.07039	12.4
107.04955	1.9
109.06506	2.1
115.05466	4.8
116.98655	1.5
117.07002	3.0
119.04943	3.8
119.08556	3.7
121.06519	1.9
122.03664	7.6
128.06264	3.3
129.07005	8.3
131.04875	8.6
132.05724	2.0
133.02876	1.8
133.06465	9.3
137.05974	100.0
138.06282	1.3
141.06992	1.5
144.05690	3.5
145.06470	2.5
147.04407	5.2
147.08049	4.2
149.05942	2.7
151.03902	1.2
151.07529	4.6
153.01843	2.6
155.04984	1.8
157.06543	5.8
159.08061	5.1
160.05200	3.2
161.04784	1.9
161.05978	18.3
161.09549	1.4
163.07550	4.5
164.11058	1.4
165.05519	1.9
165.06912	1.3
167.07004	2.3
172.05173	7.5
174.06793	7.5
175.07536	37.0
176.06197	1.4
177.05487	2.5
177.09123	1.8
179.07045	2.4
184.05235	1.1
185.05832	1.1
187.07550	39.2
189.09131	9.4
190.07845	3.6
191.06969	2.8
191.08574	6.9
199.07553	5.9
202.07779	3.5
203.08549	9.6
205.06502	3.1
207.08127	1.3
208.08859	1.6
211.07512	2.7
215.08633	1.3
217.08594	14.7
218.07231	3.2
219.08076	15.0
220.08804	4.1
221.09648	1.3
227.07185	1.7
231.08003	10.0
233.05931	1.8
233.09592	1.9
234.06729	1.4
235.07614	2.8
236.08296	2.1
237.09068	1.9
239.07094	1.8
240.07788	1.7
247.07648	6.5
248.08270	8.9
249.09091	3.5
251.10645	11.2
253.08618	2.0
259.07535	5.2
260.08511	2.4
261.09073	3.1
263.07031	1.3
263.10730	7.7
264.07828	3.7
265.08621	4.6
265.50027	1.3
270.08807	2.6
271.09622	4.6
276.07840	3.7
277.08521	4.2
279.10181	13.8
280.10889	2.2
281.08136	2.2
281.11398	1.4
283.09686	1.4
291.10129	19.6
292.10904	2.4
293.08032	2.4
296.10333	5.4
297.11209	3.3
308.10474	1.9
309.11563	2.4
311.12735	18.4
323.12802	19.6
341.13699	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1383
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
51.98835	0.8
53.03936	1.0
55.01876	1.0
56.96574	1.5
67.05511	1.5
69.07068	1.5
70.84444	1.0
70.84788	2.5
71.04990	5.6
79.05484	3.4
80.82997	0.8
81.03401	1.3
81.07034	3.1
82.18073	0.8
85.02892	1.5
85.83050	0.8
91.05457	4.8
93.06998	1.8
94.04170	3.4
95.04974	2.3
95.08578	1.5
103.05452	2.2
105.03306	1.3
105.07024	3.5
107.04927	3.3
107.08555	1.3
109.06500	2.6
109.10153	1.9
111.04418	1.4
114.26546	0.8
115.05436	2.6
117.07002	2.1
119.04946	2.1
119.08617	1.2
121.10136	1.5
122.03629	8.3
123.04403	1.0
125.05994	0.9
128.06227	2.1
129.06996	8.0
131.04941	4.5
131.08565	2.4
132.05748	1.2
133.02852	6.7
137.05969	100.0
138.06381	1.2
139.05348	1.0
143.04959	1.1
143.08498	1.1
144.05669	4.3
145.06479	3.3
147.04427	2.5
147.08046	1.5
149.05968	4.8
151.03865	3.0
151.07529	5.4
153.01842	2.2
153.05455	2.2
156.05563	1.0
157.06497	4.6
158.07318	1.0
159.08047	1.6
160.05148	4.6
161.05945	5.6
163.07550	2.6
165.05544	5.3
167.07040	2.9
168.05699	1.3
171.08107	1.0
172.05219	5.5
173.05865	1.0
174.06734	6.7
175.07544	19.8
177.05458	7.2
177.09100	2.2
178.07764	1.3
179.07021	4.0
179.08475	1.2
181.06351	0.9
185.23006	0.9
187.07530	32.5
189.05402	2.8
189.09091	14.2
191.07007	1.5
191.08557	3.1
192.09200	1.0
195.08040	1.3
196.05161	6.6
197.05934	2.1
199.07596	4.4
202.07719	4.5
203.08545	14.2
205.06496	3.6
205.08601	2.6
207.07994	1.9
208.08722	1.3
210.06726	1.2
211.07541	20.7
212.04654	2.0
213.05470	3.1
217.08621	11.4
218.07295	2.2
219.08009	10.3
220.08789	7.7
221.09593	2.6
222.06700	1.1
225.05421	2.0
225.09152	1.1
227.06973	16.9
228.07724	2.6
231.08028	14.1
232.08813	3.2
233.05983	2.5
233.09525	2.3
234.06679	1.5
235.07532	2.5
235.10992	1.4
236.08357	2.0
237.09100	2.5
239.06979	13.2
240.07802	12.8
241.04958	2.2
241.08510	2.3
247.07495	6.9
248.08293	23.4
248.45341	1.0
249.09038	5.2
250.06294	2.1
251.07027	1.4
251.10640	6.7
253.08562	3.2
254.09370	2.2
255.06512	11.7
256.07233	8.0
259.07547	7.0
260.08267	2.0
261.09103	2.4
262.06076	1.8
263.07028	1.8
263.10641	20.1
263.13257	1.7
264.07761	2.4
265.06018	1.2
265.08466	6.8
268.07318	3.5
269.07941	1.5
270.08847	23.6
271.09628	42.3
272.09998	1.3
276.07785	12.0
277.08621	7.2
278.05798	1.4
278.09332	1.1
279.10107	11.1
280.10852	2.9
281.08029	3.0
281.11707	4.3
283.09583	10.7
285.10754	1.0
291.10117	51.5
292.10645	5.0
293.08023	6.3
293.10913	1.0
295.09674	1.8
296.10397	5.6
297.11203	3.6
305.11761	2.4
307.09531	1.2
308.10400	6.8
309.11172	6.7
311.09430	1.6
311.12753	9.0
313.14255	1.7
323.12735	37.2
324.13275	1.2
341.06744	1.2
341.10223	1.8
341.13797	29.3
341.20361	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
54.15643	0.9
70.53352	3.4
79.05474	2.5
80.38068	0.8
81.07046	1.6
91.05467	5.7
93.07056	0.8
94.04189	2.5
95.04946	1.2
95.08627	0.9
103.05445	3.0
104.06269	0.9
105.07032	5.8
107.04945	2.4
109.06507	2.5
115.05453	4.8
117.07017	2.3
119.08549	3.5
121.02837	1.7
121.06451	2.1
121.10135	1.0
122.03632	7.0
128.06210	3.2
129.06969	3.5
131.04913	3.5
132.05698	3.6
133.06525	5.9
134.09637	0.9
137.05968	100.0
138.06268	1.8
141.06992	1.2
144.05649	0.9
144.98888	0.9
145.06451	2.7
147.04338	3.3
147.08038	5.0
149.05952	1.2
153.01781	2.9
156.05641	0.8
159.08026	3.3
160.05157	2.8
161.05978	11.4
165.06992	1.7
167.07002	1.3
171.08006	2.0
172.05214	0.9
175.07553	37.9
177.09059	1.4
184.05188	1.2
185.05757	1.0
187.07535	8.5
189.09142	1.5
190.07813	3.8
191.08582	8.1
192.09381	1.0
199.07545	8.0
202.07767	2.6
203.08580	6.4
205.06485	1.6
206.07292	1.3
207.08003	1.2
208.08784	1.6
217.08533	1.2
218.07292	2.4
219.08054	10.7
220.08720	2.5
231.08002	6.2
232.08707	1.3
235.07501	1.8
236.08260	1.7
237.09109	1.1
247.07529	5.1
248.08357	4.2
249.09169	1.7
251.10684	10.8
252.10953	0.8
259.07590	5.2
260.08298	1.5
261.09082	1.1
263.10602	3.3
264.07755	1.2
265.08551	2.1
276.07788	2.6
277.08597	2.5
279.10083	11.1
280.10733	1.2
281.07925	0.8
281.11493	1.3
291.10089	5.5
292.10886	3.1
293.08145	1.1
295.09860	0.9
295.13199	1.5
296.10294	1.0
308.10654	1.4
309.11249	1.8
311.12732	9.7
323.12744	3.7
341.06564	6.5
341.13641	6.6
342.14642	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	341.1382
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
54.11220	1.0
55.01876	1.8
56.96550	1.5
66.74936	1.1
67.05492	1.5
69.03427	1.9
69.33728	1.1
69.46928	9.4
71.04970	1.1
79.05489	4.6
85.02917	2.6
86.09662	1.3
91.05432	7.8
93.07018	2.1
94.04146	1.9
95.04977	3.0
95.08587	1.9
97.02911	1.6
103.05476	8.8
105.03413	1.1
105.07018	17.2
107.04952	2.8
107.08577	1.2
109.06476	2.7
115.05436	6.7
115.96854	1.1
117.07000	2.1
118.04132	2.0
118.98096	1.3
119.04944	4.0
119.08560	3.9
121.02896	1.6
121.06486	1.8
122.03645	7.3
124.05212	1.5
128.06213	2.1
129.06972	5.4
131.04903	7.7
131.08513	2.5
132.05704	4.0
133.02933	1.1
133.06494	13.8
137.05971	100.0
144.05688	2.3
145.06467	3.4
147.04420	6.3
147.08057	6.0
149.05948	3.3
151.03944	1.8
151.07581	2.7
153.01889	2.4
157.06454	2.7
159.08029	4.4
160.05186	2.7
161.05977	28.0
161.09552	1.5
163.07558	6.9
172.05161	6.5
175.07532	42.3
175.09012	2.4
177.05447	1.7
178.04996	1.8
179.05376	2.4
179.07018	2.9
185.05998	1.4
187.07541	25.6
189.09038	2.9
190.07787	3.9
191.08530	7.4
199.07541	3.6
202.07750	2.2
203.08575	5.7
207.08026	2.2
207.14594	1.2
217.08557	5.9
218.07182	2.0
219.08038	12.9
220.08778	3.4
221.09473	1.4
231.08156	7.3
235.07751	1.1
236.08289	2.5
239.07063	2.1
247.07518	4.9
248.08235	4.4
249.09052	1.3
251.10651	12.6
259.07480	3.1
261.09128	1.6
263.10590	3.6
264.07724	1.9
265.08502	3.0
276.07770	2.8
277.08578	1.9
279.10162	11.1
280.10794	1.2
288.59586	1.3
291.10120	9.2
292.10776	1.3
293.08139	1.3
295.09857	1.5
296.10193	2.4
302.04251	3.7
308.10321	1.3
309.11218	2.2
311.12723	13.4
312.76276	1.2
323.12717	8.8
341.13956	6.0
342.06146	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	339.2891
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
52.71575	0.6
53.03935	1.2
55.05509	30.8
57.03431	11.1
57.07074	11.4
58.64698	0.7
67.05166	1.3
67.05500	18.4
69.07065	36.7
71.04982	1.6
71.08627	4.7
71.59679	0.8
78.62487	0.6
79.05490	9.3
81.07050	21.4
83.04969	1.4
83.08614	20.3
83.09109	1.0
85.06557	1.3
85.10162	2.7
91.05463	1.8
93.07043	10.7
95.04974	1.4
95.08601	20.6
95.13758	0.6
97.06546	3.5
97.10156	14.1
99.08048	0.9
107.08582	6.1
109.10143	8.9
111.08064	2.9
111.11701	3.7
121.10139	8.6
123.11664	3.3
125.13274	0.9
135.11676	7.8
139.11087	1.4
149.13234	3.4
153.12746	1.0
163.14795	1.4
177.16371	1.0
221.17018	0.6
247.24287	1.6
265.25214	2.1
323.33838	0.7
339.28925	100.0
340.29355	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	341.0865
Annotation	4-O-beta-D-glucosyl-esculetin
Peak:m/z	Relative Intensity
50.68609	0.2
52.18007	0.2
53.99535	0.2
55.01859	0.4
56.96554	0.2
57.03410	0.7
58.06578	0.3
67.01870	0.3
67.05501	0.3
68.99787	0.9
69.03423	2.7
71.01333	0.4
71.04969	0.8
71.59416	0.3
72.08142	0.4
73.02900	0.2
73.25016	0.2
74.23437	0.2
77.50076	0.2
79.05466	0.4
81.03413	3.2
81.07047	0.2
81.34460	0.2
84.08139	0.4
85.02892	0.8
91.01814	0.2
91.05460	0.3
97.02881	0.4
99.04454	1.2
103.05479	0.3
105.07006	0.3
107.04874	0.2
111.04430	0.7
117.05382	0.2
119.04913	0.3
119.06062	0.2
123.04427	0.8
131.04900	0.3
133.02811	0.5
133.06703	0.2
133.07582	1.1
134.05992	0.3
135.09171	0.4
137.02347	0.6
137.05952	1.0
137.97005	0.2
139.03868	0.7
145.02864	0.2
147.04405	0.4
151.03886	0.4
153.01817	0.6
155.03381	1.0
160.07571	0.3
161.02374	0.3
161.05937	0.4
161.07111	1.8
161.09700	0.4
163.03888	0.4
163.08669	0.9
167.07060	0.2
175.07503	0.3
179.03384	100.0
180.03731	0.7
187.07471	0.3
189.06630	1.2
189.09042	0.2
191.08272	1.1
207.07646	18.3
217.08502	0.2
249.08838	0.4
281.97968	0.2
305.11273	0.5
323.12366	5.6
331.27435	0.2
339.62732	0.2
341.13513	4.2
341.99405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1382
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01865	2.9
55.05506	4.2
56.96563	4.4
61.02908	1.9
63.01209	1.5
66.04759	1.7
67.05489	4.6
69.07050	3.3
71.04985	5.2
71.27422	3.7
79.05482	5.2
81.07058	10.1
85.02885	2.9
91.05453	10.0
93.07038	5.0
94.04186	3.7
94.68450	1.7
95.04984	3.1
95.08588	3.9
97.02891	1.4
97.06521	2.2
103.05474	3.3
105.07021	8.3
107.04948	4.2
109.06506	3.9
109.10099	3.5
111.04433	3.4
111.08086	1.5
115.05491	3.8
119.04913	2.8
119.08559	1.8
121.10108	3.7
122.03619	6.4
123.11742	3.1
125.06039	1.7
128.06206	3.7
129.07005	12.2
131.04944	4.2
131.08575	3.1
133.02823	7.4
133.06494	3.0
133.10124	2.3
137.05972	100.0
144.05696	4.4
145.06528	3.7
147.04420	3.6
149.06000	3.9
151.03908	4.4
151.07497	7.8
153.05495	1.9
156.05574	1.9
157.06490	4.7
159.04417	2.0
159.08057	3.3
160.05177	4.9
161.05971	8.7
163.03899	2.6
163.07593	4.9
165.05460	6.7
167.07028	5.6
172.05205	5.2
173.06076	2.8
174.06729	9.3
175.07552	24.1
177.05417	7.4
177.09131	2.9
179.07010	3.4
187.07530	36.3
189.07222	2.2
189.09103	13.1
190.07782	2.6
191.08592	4.5
195.08017	2.0
196.05202	4.3
197.05975	2.4
199.07520	2.8
199.29744	1.7
202.07832	3.8
203.08548	12.2
205.06604	2.3
205.08571	2.4
206.07271	2.3
208.08929	2.0
211.07571	20.2
212.04745	2.5
213.05482	3.7
215.11037	1.5
217.08582	15.9
219.08112	12.5
220.08788	7.4
221.09651	4.2
223.07475	2.3
224.08290	1.8
227.06985	13.9
228.07639	2.5
231.08020	17.9
232.08823	3.2
233.05983	3.5
233.09639	3.1
234.06715	2.5
235.07486	3.4
236.08376	2.6
237.09134	2.4
239.07054	12.2
240.07816	11.3
241.04967	2.9
241.11028	1.8
247.07593	7.2
248.08339	23.4
249.09036	5.9
250.06218	2.6
251.07016	3.5
251.10681	6.4
253.08620	3.1
253.12291	1.6
255.06572	11.4
256.07233	7.2
259.07559	5.3
259.12125	3.6
260.08215	3.1
261.09012	4.0
263.07925	2.8
263.10623	19.6
264.07959	4.1
265.08588	8.9
267.09348	1.7
268.07370	3.6
269.12338	4.1
270.08881	22.8
271.09637	45.3
276.07706	11.3
277.08530	7.9
279.06857	2.6
279.10150	12.3
280.07242	2.3
280.10773	2.3
281.08368	3.0
281.11719	6.1
283.09637	11.3
285.11041	1.7
291.10110	52.9
292.10709	5.5
293.08087	7.5
294.08890	1.8
295.09753	2.5
296.10406	6.3
297.11160	3.4
308.06720	6.8
308.10483	6.9
309.07861	2.8
309.11105	9.9
311.12762	11.3
313.14185	3.6
323.09085	14.3
323.12811	32.9
327.06860	3.6
341.09988	4.2
341.13821	35.5
341.19305	10.6
342.09042	3.1
359.13666	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	339.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32442	4.4
53.03929	7.7
55.01869	29.0
55.05518	30.0
57.03429	35.7
65.03943	7.0
67.05166	6.2
67.05503	80.1
69.03426	6.0
69.07059	29.7
71.04974	6.4
79.05485	69.1
81.03402	14.2
81.07050	85.4
82.18723	3.9
83.04977	43.9
83.08598	10.7
91.05478	70.7
92.73417	4.7
92.86032	4.6
93.07047	62.3
95.04967	89.4
95.08607	44.1
96.05752	4.7
97.02866	11.3
97.06528	6.0
98.07304	9.2
103.05434	8.0
105.07018	67.6
107.04952	100.0
107.08585	20.9
108.05733	5.7
109.06516	47.4
109.10136	16.9
111.04447	9.2
111.08089	7.6
112.05215	11.3
113.06023	13.1
116.98636	9.9
117.07002	34.1
119.08572	29.2
120.05668	4.5
121.06462	24.4
121.10136	15.9
122.07291	20.4
123.04428	7.2
123.08020	11.6
125.05956	4.7
128.06219	9.4
129.06998	16.6
131.08545	45.5
133.06453	23.0
133.10126	19.2
134.99657	9.7
135.08051	13.7
135.11684	22.2
137.09581	15.0
141.06941	9.4
143.08543	11.8
145.06490	20.1
145.10118	25.4
147.08051	39.2
147.11665	10.0
149.09634	9.2
151.07474	9.7
155.08557	5.9
157.10153	6.5
159.08032	6.6
159.11722	14.8
161.09628	21.1
162.10277	5.9
163.11160	11.3
165.09174	10.5
169.10027	5.5
171.11621	11.5
173.09523	4.7
173.13242	17.1
175.11218	9.3
177.12759	9.1
187.11214	12.2
187.14822	14.1
197.13214	11.8
198.98770	5.2
203.14259	5.0
205.15889	11.1
215.14320	15.8
233.15347	97.4
256.96271	5.1
265.17993	45.3
266.13431	5.3
273.18506	14.9
274.35657	5.1
274.97452	14.6
283.13959	8.3
290.18661	12.9
292.98618	7.6
305.17706	4.6
305.21097	10.6
339.27719	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	339.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23450	0.6
55.88028	0.7
56.96563	3.5
57.03423	1.4
58.99863	1.9
61.02920	2.8
62.37465	0.6
66.95864	0.7
69.03426	1.6
69.42924	3.9
69.43352	2.4
73.02919	1.2
76.07151	0.8
77.00906	4.1
78.85423	0.7
81.03397	1.2
82.99849	0.9
85.02904	4.7
87.00057	0.7
89.00888	1.0
91.05475	8.9
95.01923	1.7
95.04945	1.0
97.02900	1.9
98.20756	1.6
98.97598	1.6
99.21091	0.8
101.00868	11.5
107.04932	8.9
109.02867	0.7
113.00870	0.6
116.98606	1.9
119.01917	100.0
119.04913	4.0
120.02014	3.2
122.34863	0.7
127.03907	1.1
128.98552	1.0
131.00320	0.8
131.01897	7.8
132.56784	0.8
134.99643	0.8
135.01395	1.5
137.02950	51.7
138.03056	1.7
142.03516	2.5
143.00273	0.8
143.01962	1.1
149.02942	2.5
153.02455	2.3
153.03957	1.3
159.01378	12.9
159.02689	0.8
160.04504	0.9
161.02977	4.4
165.03967	1.4
167.05531	3.3
170.99661	0.9
171.05045	1.8
173.02948	1.7
177.02455	51.8
177.03954	5.0
178.02606	2.0
178.04968	2.5
181.03462	2.9
183.05052	2.7
185.06583	13.3
191.04022	1.4
193.03563	1.3
194.21559	0.8
195.03593	2.2
195.05031	61.6
196.05234	4.0
197.02940	1.9
197.06642	1.8
199.04544	4.6
200.04080	1.9
201.00658	1.3
201.02504	2.3
203.07770	0.9
207.01430	0.8
207.05017	3.4
209.02960	0.9
211.04578	2.6
213.06079	15.7
218.06635	1.7
219.03296	1.1
219.05153	4.3
223.04581	1.7
225.06085	4.1
229.05592	1.8
233.03088	1.0
235.04547	1.9
237.02673	1.1
237.03313	1.0
237.06050	17.7
237.08218	1.2
239.03944	3.6
243.07280	1.1
249.06143	1.6
253.05472	4.6
255.06992	1.2
257.05078	7.6
259.07709	1.8
260.07620	0.8
261.02737	1.0
265.05765	0.9
267.07114	3.4
269.05185	2.2
281.05066	3.7
283.06723	2.5
295.06625	2.3
297.04547	14.8
298.04721	1.1
299.06125	4.5
313.07806	1.3
315.05685	2.1
357.06967	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.41764	0.9
53.03936	1.0
55.01859	1.4
55.05510	29.1
57.03437	21.0
57.07075	6.8
64.82621	0.8
65.03944	2.2
67.05502	70.3
68.05807	1.3
69.03429	1.0
69.07065	36.5
70.30284	3.7
71.04987	2.1
71.08607	2.8
72.99239	0.8
75.19398	0.8
79.05061	1.1
79.05495	17.7
80.59945	1.0
81.07053	76.4
83.04971	1.8
83.08135	1.5
83.08617	21.4
85.06514	1.8
85.10181	1.1
91.05479	11.0
93.07040	17.8
95.04964	2.3
95.08603	62.8
97.06518	4.0
97.10165	14.0
98.20795	0.9
99.08081	1.5
103.03976	0.9
105.07021	7.9
107.08589	13.6
109.06505	1.6
109.10152	28.3
111.08015	2.1
111.11707	3.4
117.07007	1.0
119.08569	6.9
121.10136	10.3
123.08008	1.5
123.11695	11.7
125.09659	0.8
125.30232	0.9
125.89570	1.1
129.05450	1.9
133.10132	7.6
135.11642	6.8
137.13271	5.0
147.11676	5.8
149.13277	4.1
151.14780	1.5
161.13258	3.9
163.14792	3.2
165.16440	1.0
175.14816	3.4
177.16379	1.1
179.18001	1.4
179.66025	1.0
189.16371	2.6
203.17923	0.9
239.03360	0.9
245.22646	8.1
263.23645	11.1
314.72794	0.8
336.74258	0.9
337.27350	100.0
338.27545	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2735
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03947	0.4
55.01873	0.2
55.05262	0.3
55.05509	5.3
55.80064	0.2
56.05842	0.2
56.96555	0.2
57.03177	0.2
57.03429	1.6
57.06822	0.3
57.07074	3.7
65.03944	0.4
67.05502	7.9
68.99805	0.4
69.06719	0.4
69.07063	5.5
71.04996	0.4
71.08636	1.8
79.05495	1.7
81.03381	0.2
81.07057	6.2
82.07377	0.2
83.04966	0.4
83.08620	2.7
85.10182	0.6
85.88190	0.2
90.51540	0.2
91.05475	1.5
93.07041	1.7
95.04979	2.3
95.08602	5.0
97.06554	0.3
97.10166	1.5
105.07018	0.8
107.08595	1.0
109.06528	0.6
109.10164	1.8
111.04443	0.8
111.08086	0.2
111.11727	0.3
119.08556	0.6
121.10140	1.0
123.04423	100.0
123.11687	0.8
124.04778	1.6
133.10139	1.0
135.11665	0.7
137.05988	2.8
143.08652	0.3
147.11659	0.7
151.07518	0.7
155.22556	0.2
165.09055	0.4
175.14804	0.3
181.10187	0.2
229.30736	0.2
236.24103	0.3
262.64282	0.3
263.20230	0.3
263.23648	0.6
319.26300	12.4
320.26678	0.8
337.27362	9.0
338.27713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2733
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.02370	0.3
51.73933	0.4
53.03931	1.7
55.01871	1.8
55.05507	39.8
56.05841	0.6
57.03433	25.2
57.07071	6.3
59.05006	0.5
65.03940	3.7
67.05499	92.3
68.05811	1.0
69.03446	0.6
69.07063	52.3
70.07405	0.6
70.50649	0.3
71.04980	2.4
71.08624	2.3
72.08125	0.4
73.06596	0.4
77.03880	0.3
79.05486	25.2
80.05840	0.4
81.07050	86.6
82.07388	1.4
83.04986	2.6
83.08614	22.0
85.06522	2.5
85.10184	1.0
91.05474	15.1
93.07037	23.3
94.07368	0.4
95.04968	1.5
95.08600	61.5
96.08929	0.7
97.06521	4.6
97.10154	11.1
99.08078	1.9
101.06000	0.6
105.07021	10.6
107.08585	12.3
109.06521	1.2
109.10146	23.6
110.10536	0.4
111.08078	2.6
111.11684	2.5
113.09637	1.2
115.07619	0.5
117.06942	0.5
119.08575	9.6
121.10133	9.2
121.11015	0.5
123.08084	1.3
123.11710	9.2
125.09640	1.5
125.13310	0.6
127.07600	0.5
127.11217	0.5
131.08539	0.5
133.10129	8.9
135.11668	6.2
137.09618	1.5
137.13208	3.3
139.11211	0.8
145.10051	0.5
147.11676	5.5
149.13243	3.7
151.11176	1.2
151.14804	1.6
153.12721	1.0
161.13268	4.0
163.14795	2.4
165.12796	0.5
165.16399	0.5
167.14377	0.6
175.14825	2.8
177.16302	0.9
179.14223	0.5
181.15831	0.6
189.16376	1.2
191.17987	0.5
203.17947	0.5
207.17419	0.4
236.32451	0.4
245.22658	1.7
263.23706	4.2
334.33615	0.4
334.37994	0.4
337.27341	100.0
338.27673	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	337.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
69.03444	0.7
70.56760	1.9
85.02895	1.4
91.05483	1.5
93.07054	1.1
94.95831	0.6
104.46989	0.6
119.04939	0.7
119.08567	0.6
123.04440	0.5
143.29214	0.5
147.04404	1.7
148.90408	0.5
153.01807	1.0
161.05966	1.0
174.06845	0.6
175.03697	9.0
175.07498	0.6
185.04218	13.2
188.40714	0.5
191.14421	0.6
194.32613	0.6
202.15324	0.6
337.08920	100.0
338.09372	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	337.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
66.89298	1.8
70.38214	3.8
70.38612	2.9
91.41032	1.6
109.42566	1.5
119.01899	2.9
145.03416	3.9
173.02972	2.0
217.01942	2.2
217.74248	2.0
277.07651	2.7
284.33307	2.0
295.08646	3.2
337.08929	100.0
338.09305	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	336.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	83.0
57.03434	0.9
57.38424	0.8
60.96558	0.8
69.03407	1.4
70.00498	1.7
70.00895	1.6
70.98114	1.4
71.95244	1.2
72.96060	1.0
73.02901	0.7
74.97598	16.5
76.87778	0.8
81.03403	1.2
83.53127	0.8
84.96011	2.0
85.02888	2.0
86.97592	2.6
92.98635	2.3
97.02852	1.1
98.97568	2.2
99.04476	0.9
104.98611	0.8
107.04947	5.0
114.97017	1.6
116.98594	1.3
128.10738	0.8
128.98592	1.2
131.05025	0.8
132.98096	7.1
146.99628	1.3
150.99133	33.8
153.01848	3.5
158.99728	0.7
163.00656	1.6
165.02129	0.9
167.00160	1.3
169.00204	20.7
169.01567	0.8
174.11295	1.3
175.00711	1.0
177.00635	1.1
181.01697	4.7
183.03270	6.2
185.01202	3.2
187.02794	1.2
193.01717	51.1
197.01205	1.3
199.02814	1.1
201.04395	5.6
203.02318	4.5
211.02765	100.0
212.03116	1.8
213.00652	1.6
215.02238	1.2
218.99599	1.0
222.99158	2.8
227.02254	2.6
229.03835	6.4
234.04431	2.7
237.00603	2.1
237.02679	1.2
240.00708	0.8
245.03438	4.9
245.05630	0.8
251.02225	6.8
255.01741	22.6
267.01767	2.5
269.03281	13.6
273.02792	11.0
285.02835	1.5
287.04272	1.4
295.01230	5.3
313.02255	19.6
318.11688	1.4
331.03165	6.9
336.08411	1.4
349.12592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	100.0
57.03432	4.4
58.05991	1.9
61.02913	5.8
69.03432	2.5
70.98120	24.0
71.58546	3.1
71.95242	3.5
74.97610	6.6
84.96037	7.9
85.02901	5.5
88.99152	19.9
97.02885	3.1
97.65837	2.4
98.97575	41.5
107.00202	7.2
107.04942	5.7
110.97569	13.0
112.99161	2.0
116.98617	42.9
119.01945	3.7
121.35001	1.9
124.95489	4.5
127.03883	1.9
128.98599	30.6
133.01711	3.3
134.99649	31.0
140.98616	6.1
142.96565	9.8
145.01727	2.9
145.03474	2.8
146.99648	39.7
149.01228	2.6
150.99135	5.6
153.00722	2.4
158.99669	9.0
159.03215	2.6
160.97543	10.5
163.02782	2.8
165.00708	37.3
169.00081	2.5
170.96053	5.4
173.02843	2.2
174.99147	9.2
177.00789	9.4
183.01817	6.2
184.97617	7.5
188.97055	36.2
189.00702	19.5
190.98650	7.9
193.00215	11.9
193.01788	2.8
194.02029	4.8
198.99130	2.2
202.98660	16.7
205.00197	12.4
206.98131	21.5
207.01735	22.9
211.02763	5.8
212.03108	11.1
217.00240	11.7
220.99635	10.2
223.01239	8.0
224.99144	3.5
227.03998	4.5
230.98111	36.1
232.99684	3.5
235.01271	8.1
237.02806	3.9
239.00620	2.4
244.99622	24.9
248.99165	17.6
249.02826	3.7
256.01910	3.0
263.00735	95.3
267.03903	3.4
269.05344	2.5
277.02261	16.6
281.01797	22.5
286.02371	3.6
295.03424	5.3
295.06863	3.2
305.01834	7.3
314.02817	3.3
337.04572	4.8
337.08389	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	336.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70424	1.0
56.96560	77.7
69.03410	3.6
69.83838	6.0
71.95258	1.5
73.02919	2.2
74.97596	14.7
81.03404	1.5
81.09734	1.1
85.02899	5.0
86.97591	1.4
91.05502	1.6
92.98644	3.3
95.04975	1.4
97.02865	3.0
98.97536	1.6
107.04951	7.9
109.02879	1.6
114.96986	1.3
116.68787	1.2
116.98605	1.2
117.07031	1.1
117.18468	1.1
126.07996	1.1
127.03873	2.6
128.98618	1.4
130.28784	1.2
131.00212	1.3
132.98059	5.1
135.04404	1.7
137.05934	1.3
137.64140	1.2
146.99666	1.3
147.04362	1.6
149.06013	1.6
150.99142	27.7
153.01833	2.9
169.00192	21.1
169.01575	2.4
170.05827	1.9
174.00832	1.7
174.11209	2.1
175.00772	1.3
181.01674	2.7
183.03284	4.9
185.01236	2.4
187.02725	2.0
188.06902	1.8
192.99962	2.4
193.01709	44.0
193.04510	4.1
197.01099	1.4
201.04341	7.7
202.04861	1.8
203.02271	2.7
211.02763	100.0
212.03120	1.6
213.00626	1.4
215.02194	1.5
222.99034	3.1
227.02136	2.0
229.03737	7.9
234.04375	4.7
237.00528	2.5
238.04198	1.2
241.00034	1.2
245.03288	5.3
246.07332	15.7
251.02235	4.8
255.01743	24.4
256.05777	2.7
260.05298	3.3
267.01712	2.3
269.03293	15.4
273.02756	9.6
274.06833	4.3
278.03345	1.3
285.02737	1.6
295.01254	5.9
312.06790	1.5
313.02237	18.3
318.05807	8.1
318.11780	4.2
331.03293	8.2
336.03058	2.4
336.06836	37.1
336.12823	4.7
337.05252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93527	2.3
56.94302	2.8
56.96555	4.4
71.59268	2.5
72.93781	27.8
79.01843	3.5
81.03431	3.5
90.94824	8.9
91.05475	57.8
92.05779	1.1
95.04931	1.7
97.01685	1.2
97.02919	1.5
98.97578	5.4
101.30943	1.3
107.04946	2.7
108.95863	5.1
113.96396	9.5
116.98626	5.3
125.02399	1.4
128.98613	1.9
131.97430	8.7
134.99623	2.3
143.03349	3.9
144.95819	3.3
149.00446	1.9
153.01822	47.1
154.02145	11.2
158.99651	1.5
162.96880	2.9
164.99980	100.0
166.00290	1.3
166.97878	3.2
170.97406	1.5
177.00700	3.6
180.99422	1.3
183.01001	10.3
190.98026	1.4
192.99455	23.2
211.00528	2.4
219.01778	1.9
223.00488	5.0
224.04424	5.7
224.54591	7.5
224.56549	1.4
225.04630	3.2
233.04926	1.8
233.55067	2.7
234.04997	1.6
237.02820	6.0
238.03285	1.7
248.98482	1.7
251.00049	3.4
254.99521	10.9
269.01111	7.9
273.00601	4.1
274.01590	11.8
292.02600	7.5
294.99042	3.8
295.06894	4.9
296.07181	2.4
312.99866	3.7
315.04272	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2576
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03696	1.3
53.03938	5.1
53.58694	1.1
55.05258	1.8
55.05505	25.5
57.03432	24.6
57.07064	2.0
61.00559	1.0
65.03932	2.9
67.05499	95.8
69.07063	20.5
69.25491	4.6
69.25919	9.5
71.04978	3.8
71.08625	1.7
79.05486	50.8
81.03388	1.2
81.07048	86.3
83.04969	2.4
83.08609	10.4
84.60677	1.3
85.06509	1.4
91.05474	27.0
93.07032	59.0
95.04964	7.4
95.08598	70.2
97.06503	3.5
97.10172	4.2
99.08091	1.9
105.07018	22.4
107.08580	26.3
109.06485	2.5
109.10148	30.4
117.07007	6.1
119.08569	14.8
121.06381	1.1
121.10142	19.8
121.56017	1.2
123.08054	1.6
123.11691	11.7
128.66322	1.3
131.08554	11.9
133.10124	12.4
135.08061	1.3
135.11671	15.4
137.13184	2.8
143.08568	2.8
145.10097	10.6
147.11696	5.1
149.09537	1.6
149.13297	5.9
157.10147	2.8
159.11652	6.3
161.13234	6.4
161.40300	1.2
163.11212	2.3
163.14841	4.4
171.11668	2.4
173.13231	6.6
175.14821	2.2
181.10069	1.6
187.14867	3.3
193.15932	1.2
195.11743	1.9
197.13278	1.8
199.14844	2.7
201.16342	2.5
221.49316	1.5
243.21049	2.0
253.63187	1.2
261.22275	6.4
335.25821	100.0
336.26239	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	336.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10998	0.6
51.18104	0.6
55.93509	2.0
56.94293	2.3
56.96552	2.0
62.49951	0.7
69.18764	0.7
70.84295	2.7
70.95858	1.1
71.81497	0.8
72.93785	26.5
81.00761	0.7
81.03403	2.4
85.02905	0.8
90.94823	10.6
91.05477	56.7
92.05803	1.3
95.04994	1.0
98.97578	2.2
103.05457	1.5
105.03417	1.1
108.95856	3.4
113.96409	9.1
115.05442	1.2
116.98640	1.6
123.04363	1.1
126.98415	1.4
131.04938	1.9
131.97433	7.3
138.78534	0.8
144.95815	2.4
148.95377	0.8
149.00494	2.2
150.98361	1.3
158.99635	0.9
162.96906	3.6
164.99979	100.0
166.00333	1.5
166.97919	3.6
167.06995	4.6
168.07390	1.9
168.99683	0.7
170.97473	1.2
171.96919	1.1
174.98428	1.0
178.97896	1.2
180.99417	1.4
183.01006	10.0
184.98924	1.8
190.97856	2.4
192.99463	21.8
195.01016	1.2
196.99104	0.8
199.97726	1.0
206.02588	2.3
208.98932	1.2
211.00581	2.0
223.00533	5.6
224.06274	3.9
224.56369	3.4
225.06400	1.0
232.99110	1.3
236.98486	1.1
237.00745	0.8
239.00058	1.5
246.02150	1.3
248.98463	1.9
250.99974	2.4
254.99483	10.8
269.01044	8.4
273.00601	3.4
274.01581	11.6
292.02698	8.2
294.98959	3.4
312.99997	3.8
315.04202	1.0
318.11710	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.0
55.05495	8.2
55.84956	2.1
56.44093	1.9
56.96551	5.8
57.03423	3.2
58.06591	2.5
61.02908	3.1
61.39048	1.7
69.03413	7.3
70.06570	3.1
70.19908	10.0
71.04984	5.2
74.06065	2.0
79.01819	3.0
79.05480	4.3
81.03413	5.0
81.07044	21.5
83.08605	8.0
85.02908	17.7
85.06557	3.8
90.15556	2.0
91.05472	7.5
97.02877	8.9
98.06042	2.7
98.09684	4.2
98.97559	5.7
99.08090	2.9
108.08084	2.6
109.02935	2.0
109.06513	17.4
116.98613	4.8
119.04932	4.7
123.04405	8.8
124.07585	4.8
125.02343	5.3
126.09144	52.5
127.03903	5.6
127.07565	22.9
128.98607	2.5
130.29321	1.9
131.73439	2.0
136.07552	20.0
137.05956	3.7
139.03947	3.4
143.03415	6.8
146.99738	2.4
147.04460	4.4
153.01822	91.2
154.08621	65.9
155.03358	3.1
155.07014	40.8
165.05463	13.3
170.99689	2.5
172.09679	100.0
173.09888	3.0
191.03340	2.1
270.13010	1.8
288.08685	20.4
289.09268	2.0
311.06497	5.9
334.08997	12.8
334.14288	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	334.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47734	1.7
55.01866	5.0
55.05505	5.1
57.03440	2.8
57.07067	8.0
57.31421	1.7
67.05501	15.8
69.07066	9.2
69.50905	11.5
69.51320	4.0
71.05000	2.4
71.08643	11.4
72.04515	68.1
79.05479	8.2
81.07051	21.1
83.04974	2.0
83.08638	2.3
91.05474	45.2
92.05795	2.0
93.07040	15.0
95.04956	16.7
95.08607	24.4
97.06532	6.0
99.08100	7.0
100.07605	2.2
105.07047	11.2
105.07652	2.3
106.16941	2.0
107.08581	12.8
109.06516	24.5
109.10148	2.9
114.09161	17.0
117.07057	2.5
119.08590	6.5
121.06472	3.9
121.10155	3.4
123.08054	3.7
128.10710	7.2
131.08560	7.6
133.10094	9.5
135.08093	2.3
135.11728	4.3
137.09578	2.7
140.10684	2.4
142.12305	3.3
145.10153	5.6
147.11667	2.2
149.13248	3.5
159.11613	2.6
163.11188	2.4
163.14799	4.2
165.12744	100.0
173.13240	10.3
175.11223	3.1
179.14296	2.8
180.13785	4.1
182.15388	16.4
183.11662	2.7
191.14377	9.3
194.15488	2.3
201.12741	5.0
212.16455	11.8
220.16876	11.8
229.19559	2.9
236.12379	1.9
236.20073	38.8
243.21103	2.4
247.02670	2.1
271.20599	6.1
289.21683	10.0
316.26376	5.8
324.93277	1.9
334.24149	3.1
334.27432	43.8
335.25659	4.2
341.04367	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	334.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.3
53.03926	0.3
54.65239	0.3
55.01873	0.3
55.05494	0.4
56.05031	0.3
56.96555	1.0
58.06588	0.7
61.02925	0.4
67.05517	0.3
69.03407	0.9
69.80312	1.9
70.06574	0.4
79.01843	3.8
80.81728	0.3
81.07032	1.0
83.08615	0.3
84.08149	0.4
85.02881	1.3
91.05473	5.2
94.89343	0.3
95.04990	1.5
95.05502	0.4
97.02874	1.9
98.97575	0.6
107.01286	0.8
108.08123	0.4
109.06513	1.2
116.98602	0.7
119.04939	5.9
121.06512	0.4
123.04420	7.0
125.02348	2.9
126.09151	2.8
127.03895	0.4
127.07538	0.9
134.99638	0.5
136.07565	18.0
139.03879	0.4
141.80911	0.3
143.03391	7.9
146.99567	0.3
147.04417	3.4
153.01819	100.0
153.02795	3.9
154.02158	1.8
154.08617	3.2
155.07045	1.8
163.03886	0.7
165.05470	17.8
172.09674	4.6
177.00655	0.3
182.08083	1.9
190.05324	0.3
191.31189	0.3
230.51797	0.3
237.02849	0.3
250.00124	0.3
269.05344	0.4
288.08649	24.3
289.09064	0.7
289.21725	0.4
311.06604	0.7
317.06647	0.5
322.10101	0.3
334.09082	5.1
334.27869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63212	0.6
51.75882	0.6
55.05504	1.1
57.03417	1.4
67.05486	2.4
69.07052	1.1
73.02888	0.8
77.00909	0.8
79.05492	2.2
81.07036	3.1
88.07618	0.8
91.05483	2.4
93.07034	3.6
95.01961	0.7
95.08571	1.6
97.02879	0.7
97.06505	0.6
97.53396	0.7
98.21477	1.9
98.98448	2.0
103.03937	0.7
105.07024	3.6
107.08573	1.9
119.08575	2.5
121.10137	1.6
131.08528	0.9
133.10112	1.8
133.39143	0.6
135.11661	1.0
145.10162	0.6
147.11667	1.1
147.59958	0.6
159.11699	1.0
171.11705	0.7
176.98891	0.7
181.04919	0.9
215.11320	2.0
229.28099	0.8
253.12811	2.5
269.17590	0.6
271.13962	3.0
276.14532	0.8
333.20346	100.0
333.23874	3.5
333.76059	0.9
334.20703	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	333.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49245	0.8
55.01869	1.0
55.05508	1.1
56.96555	1.1
61.02918	1.0
67.05495	3.0
79.05476	3.6
81.07051	4.0
83.08607	1.3
85.02886	1.1
87.04458	3.3
91.05479	2.5
93.07039	2.1
95.04943	1.2
95.08587	2.0
98.20725	2.2
98.98447	3.5
105.07020	3.1
107.08546	1.8
109.02880	1.7
109.10121	1.2
117.06989	1.4
119.08586	1.9
121.10115	1.4
133.10083	1.8
147.11710	1.3
159.11642	1.3
235.12964	2.1
247.82162	0.9
253.12939	1.3
271.13910	1.2
285.10086	2.7
308.12006	1.0
333.20340	100.0
334.20688	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	333.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25260	0.6
56.17338	0.6
56.65413	0.7
56.96554	1.0
57.03426	0.9
57.07064	1.5
57.10233	0.7
64.67921	0.7
65.15991	0.7
67.05490	2.5
67.57743	0.6
69.07056	1.1
70.06576	1.5
70.66637	2.5
71.08633	0.9
79.05481	2.6
80.73949	0.7
81.07047	2.5
83.08631	0.8
83.56365	0.7
88.07625	1.8
91.05478	2.6
93.07027	3.4
95.08610	1.2
95.95833	0.7
98.98472	2.7
104.60274	0.7
105.07024	2.2
107.08597	1.5
117.07010	1.0
119.08611	0.8
128.40894	0.6
131.08592	1.2
137.05890	1.0
138.31830	0.6
145.10176	1.2
149.02371	2.6
177.05583	0.7
193.05003	3.6
218.63747	0.8
229.05107	0.8
235.13072	1.2
251.12411	1.0
253.12868	1.5
255.08946	1.1
269.10657	1.4
271.28204	1.1
273.10135	1.0
287.11713	0.8
302.24240	1.1
302.74173	0.9
303.20389	0.8
332.31226	0.8
333.20361	100.0
333.25284	4.4
333.31915	2.9
333.76010	1.3
334.20630	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	333.1907
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03932	3.1
55.01869	5.5
55.05508	7.2
57.03427	8.6
57.07079	20.8
59.05003	13.0
61.02922	13.3
67.05499	13.5
69.03426	33.3
69.07065	15.9
70.88709	3.8
70.89037	2.7
71.04981	9.7
73.02921	5.6
79.05499	5.6
81.03423	12.9
81.07047	6.5
83.05015	2.5
83.08615	6.7
85.02907	94.2
85.06552	14.3
86.09698	3.3
87.04469	5.0
91.03945	6.6
91.05486	2.5
93.07040	7.9
95.04960	5.8
95.08607	78.0
97.02895	31.8
97.06511	10.5
99.04453	7.7
99.08088	16.3
101.02386	2.2
107.04965	2.4
107.08601	13.3
109.02876	9.3
109.06567	11.8
109.10151	27.2
111.08080	9.9
113.09643	91.3
115.03967	2.2
119.08556	3.4
127.03924	17.7
127.10279	4.1
127.11192	52.2
129.06985	2.1
131.04994	2.2
135.11676	17.1
137.05949	3.8
137.13268	7.4
141.71898	2.1
145.04970	22.9
153.01816	3.2
153.05562	2.9
153.12749	100.0
155.14291	14.4
159.11629	2.1
167.07100	4.1
167.08539	4.7
171.13799	47.9
177.12819	4.0
178.12056	2.4
179.08522	2.2
183.08165	2.3
185.09673	3.9
195.08070	8.0
195.13899	2.1
197.06084	2.2
197.09781	2.3
201.09088	2.6
202.64722	1.9
212.08463	3.2
213.09128	6.3
213.14775	3.7
223.07591	5.5
225.09077	6.5
227.07011	2.7
229.04967	2.1
240.07784	4.4
241.08623	11.1
243.10370	3.0
251.07071	5.7
253.08585	7.1
258.09003	3.9
269.08102	30.2
270.08493	3.5
271.09671	11.4
287.09277	4.1
297.07822	3.6
301.11624	4.1
316.13965	2.3
333.09912	2.7
333.14481	3.1
333.18951	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	333.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	5.4
57.05819	1.5
60.05640	3.6
62.05106	0.8
69.04543	1.4
69.65575	4.6
70.06572	3.5
79.81795	0.8
79.97139	0.8
81.07037	0.8
83.06087	3.9
84.04516	0.9
86.09660	1.0
93.07006	1.0
95.06067	2.9
105.03373	1.1
105.05826	1.2
107.27210	0.8
111.05545	7.7
112.08785	0.9
113.07127	5.1
117.05614	0.8
120.04463	4.6
123.05491	1.2
126.06624	4.6
127.07382	1.9
128.08195	1.4
130.06541	0.8
131.07245	1.0
132.04437	17.7
134.05992	5.5
135.04527	0.7
137.04678	2.3
137.05963	3.8
140.08180	1.7
146.02383	0.9
151.06131	9.4
158.05997	1.0
159.26241	0.8
162.05482	2.0
164.07065	10.3
167.03383	0.8
167.07039	4.0
167.08290	0.8
168.08798	0.8
177.06567	1.4
179.08139	1.7
190.08664	1.2
202.09692	7.7
204.06590	1.0
213.09082	0.8
216.11320	1.5
217.09700	4.8
230.09253	5.9
232.10812	3.5
241.08966	0.9
242.09261	2.6
245.09198	30.1
247.36827	0.7
248.13829	1.2
252.04205	0.7
257.10327	5.6
259.11899	50.8
260.12433	1.2
274.11850	2.6
284.11334	4.8
288.09979	1.9
291.14496	100.0
292.14755	2.7
298.10297	0.8
298.13840	1.0
298.65009	0.9
301.14136	2.5
302.12442	59.8
303.12717	1.9
316.13986	3.3
333.16660	86.1
334.17123	2.6
357.29550	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
55.93510	0.8
56.96560	0.9
57.03424	0.4
61.02892	0.5
63.48658	0.3
64.64018	0.4
68.99767	0.5
69.03411	0.6
69.51802	3.0
72.93781	0.6
75.26357	0.4
75.44440	0.4
83.87347	0.4
84.04500	0.5
84.96027	0.5
85.02891	1.2
88.96841	0.4
90.94816	0.5
91.05470	1.1
95.04987	0.6
97.02862	1.1
98.21491	0.5
98.97572	1.1
98.98453	1.9
104.04898	0.4
107.04935	1.9
109.02877	0.6
111.04353	0.4
116.98596	1.2
119.04981	0.4
122.06033	0.4
123.04422	3.5
124.04753	1.1
132.04424	0.5
132.95848	1.0
133.02815	0.5
134.99667	0.9
135.04344	0.5
137.06006	0.5
139.03929	2.3
140.04189	0.5
147.04378	1.4
150.96857	2.2
153.01875	1.8
161.02385	0.6
162.05492	3.5
163.03859	1.8
164.06975	0.5
165.05481	1.1
165.07327	0.5
168.06537	0.4
169.07614	0.8
171.09914	2.5
176.99117	0.4
177.00684	0.9
179.03441	0.6
180.06538	2.2
180.62605	0.4
181.05090	0.7
181.06886	2.3
183.08397	0.5
185.07083	0.7
189.01759	0.5
190.05067	0.9
193.68770	0.4
197.07111	3.5
214.54716	0.6
227.08208	0.4
235.02502	0.6
243.07607	1.1
245.00798	0.6
249.03954	0.9
251.08195	0.9
257.18918	0.4
269.08990	0.9
273.00217	0.8
273.03711	0.7
273.08682	1.2
273.99133	1.5
277.03366	0.4
292.00214	0.7
300.99710	0.9
303.04742	0.4
310.01233	1.4
315.09793	3.7
317.06290	0.7
333.02322	1.2
333.11255	9.0
333.15146	100.0
333.56827	0.5
334.09241	0.4
334.15479	1.0
335.07843	0.4
350.93607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51787	3.9
56.96552	27.4
57.03429	12.4
61.02925	41.7
69.03418	17.5
69.48871	8.9
69.49278	25.0
70.98130	6.3
73.02917	12.2
81.03417	14.1
82.88414	4.1
84.08136	5.7
85.02894	30.1
85.06512	4.7
86.09720	4.3
94.93015	20.4
97.02899	14.6
98.97588	31.1
99.04417	5.1
107.04967	10.0
108.08096	26.4
109.02878	12.8
109.08447	21.1
110.97566	6.4
116.98612	13.1
117.02094	4.3
119.01864	20.3
121.01694	5.0
124.07612	5.6
127.03921	13.0
128.98573	9.3
131.01865	9.4
133.03429	6.6
134.05984	4.2
134.99603	8.6
135.03108	9.0
144.98050	4.5
145.03494	6.7
146.99692	5.3
150.91980	11.7
152.07080	12.4
152.93535	7.6
153.07407	16.3
161.01213	6.3
162.03571	12.1
162.99141	4.9
167.41508	4.3
171.04146	44.3
173.01352	6.0
175.02589	5.1
179.02301	7.9
180.04694	5.8
189.00836	4.9
190.98555	7.7
193.03738	5.0
197.03275	9.0
214.10278	5.1
219.01772	6.2
220.04124	8.4
223.01251	8.5
227.04323	5.4
229.04724	18.6
229.54871	5.3
236.05530	12.1
237.02737	8.8
242.98183	54.4
243.04085	6.1
243.06200	30.5
251.04262	6.5
252.06779	15.8
253.07683	5.3
256.96143	92.8
269.05527	8.0
270.97672	14.1
315.12677	17.3
323.06345	7.0
332.97678	100.0
333.13733	20.0
341.07721	9.6
359.15649	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	333.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.5
53.57137	1.6
55.93525	24.2
56.96561	4.6
68.99783	2.0
69.37814	13.4
70.95854	5.4
72.93784	13.5
77.93323	1.3
79.05491	3.1
81.07063	2.5
84.04497	2.3
85.02896	3.4
86.09699	7.2
90.94825	15.3
91.05492	17.1
94.06526	2.4
95.04957	3.3
95.08604	2.2
97.02886	3.3
98.97574	3.2
98.98459	5.0
100.51001	1.6
103.05487	2.5
104.04958	3.4
105.03384	1.5
105.07056	1.9
107.04942	2.8
108.95843	4.3
109.06545	1.4
110.07172	1.6
115.05455	3.3
116.98615	4.4
118.04144	4.1
119.04952	3.0
122.03619	1.6
123.04417	6.3
128.06203	2.2
131.04889	4.2
132.05724	1.5
132.95821	35.6
134.99669	3.4
135.04405	2.0
137.05969	11.6
139.03862	1.7
146.06064	1.9
147.04378	3.1
150.96883	100.0
151.03877	1.5
153.01794	4.9
158.93736	4.4
160.05232	1.8
163.00415	6.3
163.03896	3.4
165.05472	1.9
167.07048	17.4
167.48444	1.5
168.97919	5.1
174.96872	2.7
176.94823	24.5
177.00623	1.8
177.02232	2.3
180.06549	2.3
181.04962	2.3
182.00201	1.6
183.98111	3.9
185.24142	1.4
191.06543	2.2
191.98648	1.6
192.97945	18.1
192.99519	2.2
195.03372	1.6
197.07152	1.5
200.94716	3.0
202.97942	2.6
206.00224	9.0
207.98201	2.4
213.05981	2.1
218.00407	1.4
218.95834	22.5
220.08186	4.5
220.98923	5.1
224.01328	1.9
231.98180	5.6
232.98997	3.4
234.18631	1.7
234.96817	1.7
237.02725	1.6
238.99974	2.0
244.49355	1.6
245.96147	8.5
245.99796	3.3
248.01241	2.7
249.99155	2.3
250.99936	4.2
263.79828	1.4
263.97067	1.7
263.97913	1.7
264.00809	14.9
273.99207	50.2
288.09949	3.6
288.21423	1.6
292.00278	31.4
310.01318	47.8
315.01797	3.0
315.09485	1.7
315.13065	1.8
333.02917	3.2
333.10751	4.1
333.14929	4.1
333.27536	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	332.17
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.8
55.01847	4.3
55.92797	2.9
55.93515	10.6
56.96549	8.9
57.03427	9.5
58.06600	3.0
60.04514	2.7
61.02929	12.3
62.77020	2.5
67.05489	3.7
67.17416	2.3
69.03419	23.3
71.04977	3.2
71.33045	4.1
72.08112	2.9
72.93762	6.8
73.02918	3.2
78.33010	2.4
79.65025	2.8
81.03400	12.4
84.04500	5.9
84.08130	3.0
85.02903	100.0
86.09698	13.3
87.04447	2.8
90.94798	6.8
91.03944	6.5
91.05498	13.3
93.47027	2.5
94.06551	10.6
95.17976	2.4
96.08090	2.6
97.02895	31.3
98.98460	15.9
99.04446	5.4
107.04948	58.6
108.46394	2.4
108.95852	3.6
109.02858	9.1
111.09196	6.0
115.05451	3.0
116.98631	2.5
118.04148	3.2
119.04901	2.8
121.06488	2.5
123.04432	19.7
127.03909	30.3
131.04922	3.6
132.95850	18.1
135.04396	3.7
135.08041	17.8
138.05490	3.7
139.03874	8.5
145.04941	40.7
146.06073	3.2
147.04376	8.0
150.96878	52.5
152.07056	4.9
153.01813	8.1
153.09134	5.5
157.06546	3.2
161.05954	7.3
163.03864	10.9
163.06079	5.5
164.03294	2.8
164.07088	6.7
167.07040	5.4
168.97908	2.7
170.11716	3.7
173.05978	6.7
173.09680	2.9
176.94800	9.0
176.99051	2.5
177.02177	3.5
180.06572	26.0
180.08662	9.5
182.08150	3.4
187.07594	3.3
192.06483	2.8
192.97940	7.4
193.08531	3.3
194.08038	3.2
195.03238	5.7
201.09079	8.5
206.00180	4.6
215.07008	5.0
218.95874	10.8
219.10147	17.1
220.08083	5.1
220.98904	4.2
231.46635	2.9
243.10083	4.5
247.10780	3.4
261.11160	7.9
264.00757	5.5
273.99277	26.7
292.00253	13.0
304.16541	6.4
310.01282	23.2
332.11060	14.8
333.10959	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	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.58871	0.5
55.01868	0.6
56.96552	1.3
57.03433	1.5
61.02919	3.8
65.03932	1.1
67.05504	2.7
69.03424	8.1
69.63809	3.2
71.04983	1.1
73.02910	2.7
79.05489	0.9
81.03422	2.4
81.05785	0.5
81.07036	1.2
85.02901	9.1
85.03365	0.9
87.04458	1.8
93.05789	1.1
96.08154	0.8
97.02895	4.4
98.97594	1.1
99.04472	0.9
101.07007	0.6
106.06567	4.4
108.08114	100.0
109.02869	2.1
123.06805	4.8
124.07590	16.6
127.03923	2.4
128.02280	0.6
134.06010	9.9
135.03012	0.6
135.36769	0.5
136.07571	12.7
136.08536	1.0
141.01311	0.5
145.04991	0.8
150.05496	0.7
152.07063	66.8
153.07431	0.9
154.08656	1.2
158.99651	0.7
161.05515	0.9
161.55724	0.6
170.05177	1.2
170.08119	8.1
196.01439	0.7
220.04192	0.7
229.04718	1.5
235.02893	0.7
242.07451	0.7
303.15909	0.5
314.12320	36.8
315.12796	0.7
321.10260	0.6
323.06427	0.6
332.13385	54.3
332.97812	0.6
333.13748	1.5
348.27490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03928	0.7
56.31080	0.5
56.96561	1.2
57.03426	1.8
61.02939	3.1
65.03932	1.4
67.05511	2.5
69.03426	7.2
69.35588	4.8
71.04991	0.7
73.02913	1.9
79.05483	1.4
81.03413	2.9
81.05806	0.5
81.07056	1.1
82.29617	0.4
83.04969	0.4
85.02899	7.8
86.35060	0.5
87.04466	1.9
92.05002	0.6
93.05805	0.9
96.08104	1.4
97.02882	3.2
98.97568	1.4
99.04419	0.9
101.02438	0.6
106.06557	5.0
108.08114	100.0
109.02872	1.0
109.08446	0.7
123.06815	4.2
124.07596	18.1
127.03887	1.2
134.06010	11.9
136.06525	0.5
136.07571	14.2
152.07063	71.0
153.07428	0.7
154.08620	1.4
170.08128	7.1
314.12317	35.3
332.13385	49.2
333.13937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.3
60.04499	0.6
64.65168	0.5
65.87309	0.4
67.05495	0.6
69.03400	0.7
69.94503	2.8
70.06609	0.4
79.05482	0.7
80.28587	0.4
81.03407	0.6
84.04500	0.7
84.96049	0.5
85.02895	1.8
86.09698	0.8
94.06577	0.5
95.04957	0.5
97.02882	1.5
98.20826	0.7
98.98450	3.6
107.04929	1.3
108.08121	3.5
109.02857	0.7
116.98604	0.8
123.04433	0.6
123.05524	1.2
123.53779	0.5
124.07574	1.5
126.88186	0.6
127.03887	0.7
134.05957	0.4
135.04404	1.1
136.06175	0.8
136.07541	0.7
137.05946	0.5
145.04919	0.5
151.03888	0.6
152.07059	4.1
153.01820	1.9
163.03899	0.9
168.06647	0.6
169.01271	0.6
170.08069	1.3
176.98935	0.6
181.04915	0.5
191.03375	1.1
222.42693	0.4
225.03781	1.0
268.37436	0.5
287.10919	6.4
314.08615	1.3
314.12286	1.3
332.13123	100.0
333.13470	2.0
343.33643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	12.4
61.02917	13.9
63.11285	4.2
63.64521	3.8
69.03425	18.9
69.45671	3.5
70.91682	6.5
70.92054	7.9
71.36356	3.6
72.08176	5.0
73.02938	5.7
81.03413	8.6
85.02899	100.0
86.09695	10.0
87.04504	4.5
87.98207	4.0
91.03945	4.8
92.97258	3.3
97.02887	29.5
98.97659	4.1
98.97791	4.9
98.98458	37.6
99.04439	7.5
99.48415	4.1
107.04945	28.0
108.08118	5.6
109.02882	6.8
113.86780	4.0
115.95394	3.9
120.91609	3.9
124.07607	4.8
127.03905	34.1
145.04967	44.1
152.07100	7.7
153.05478	15.1
163.06055	4.7
170.06236	3.7
170.08083	11.6
173.05997	5.5
174.00764	5.4
176.99046	5.3
180.08664	8.7
206.73755	4.0
211.41270	4.5
218.51230	4.6
242.58023	3.7
243.37175	4.0
302.16119	3.9
306.33829	4.3
332.13727	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.7
56.05035	4.6
56.96550	5.5
58.06578	6.5
60.04524	32.9
65.03918	3.8
67.05492	7.0
69.03413	5.8
69.37234	28.2
70.06577	3.4
73.02879	3.7
79.05486	19.2
81.03413	5.7
81.07016	4.0
83.04955	5.3
84.04507	17.4
85.02893	7.5
86.06063	9.1
86.09692	6.5
90.80888	3.0
91.05461	13.8
93.07052	4.6
94.06547	6.9
95.04954	18.7
96.08108	4.3
97.02859	5.5
98.06042	3.8
98.98460	13.8
99.04431	3.5
100.03951	5.2
103.05437	6.0
105.03371	6.4
105.07012	9.9
106.06583	4.2
107.01305	3.8
107.04953	45.1
107.07325	6.5
108.08105	14.0
109.02853	7.9
109.06485	5.8
110.06022	7.9
111.04433	7.8
115.05467	3.2
119.04919	17.6
119.07314	3.9
120.08099	7.0
121.02825	9.5
121.05194	3.7
121.06482	13.8
122.06033	22.8
123.04403	29.9
123.06809	3.8
124.07576	6.9
125.02369	8.4
131.04901	10.8
133.02818	10.0
133.06477	17.6
134.06004	10.8
135.04398	57.5
136.07559	13.9
137.05948	6.0
137.08380	18.6
138.09044	3.8
139.03864	16.2
145.02856	5.8
146.06018	17.7
147.04425	30.1
147.06807	6.1
148.03882	4.1
148.05179	4.6
148.07578	16.3
149.02238	3.9
149.05959	12.1
149.08353	4.4
150.05516	8.4
150.09126	5.3
151.03879	15.7
152.07037	13.7
153.05412	4.2
159.04388	15.4
160.07555	7.8
161.02280	4.4
161.05951	16.7
162.05415	5.8
163.02551	5.7
163.03891	62.9
164.07053	21.6
165.01808	7.2
165.05450	8.4
165.07880	20.0
166.08615	10.6
167.03398	10.9
167.07047	5.1
168.06583	4.4
173.02287	4.7
175.03926	5.1
176.07039	8.0
177.05455	15.9
178.08577	8.6
179.03424	27.0
179.07016	5.8
180.06544	10.0
181.04935	8.5
187.02457	3.8
187.03891	20.9
187.05470	3.8
188.07019	6.4
189.05463	7.2
190.04904	6.7
191.03384	23.0
193.04959	11.9
194.08057	4.0
195.02861	5.7
204.06566	8.4
205.05006	28.0
206.08138	13.7
207.02852	20.7
207.06505	8.0
208.06082	4.4
209.04417	13.1
215.03328	6.0
216.06599	5.1
217.05048	5.1
221.04437	11.0
222.07614	5.3
223.06094	4.7
224.09190	19.7
225.03902	9.5
232.05965	9.2
233.04498	18.8
234.07529	4.6
238.07043	5.5
243.05022	9.6
250.07158	8.3
251.05531	18.4
251.07668	3.3
256.08124	9.7
259.04166	3.9
268.08109	9.0
269.06604	23.6
271.04474	10.9
272.07654	5.5
279.04834	3.6
286.09113	12.7
296.07715	15.4
297.05994	20.9
314.08737	55.0
314.12323	8.3
315.06912	4.5
332.09747	100.0
332.13406	11.1
333.10916	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	331.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.2
56.96563	2.2
58.25764	1.0
60.70165	1.2
65.03934	1.8
67.05495	2.3
69.03425	1.5
70.06580	1.6
70.41561	1.0
70.75470	3.5
79.05487	3.3
81.03391	1.1
81.07034	3.6
83.04957	1.6
85.02879	1.4
86.09696	3.0
86.68522	1.0
91.05474	33.2
93.07055	1.5
94.04199	2.0
94.07971	1.1
95.04969	7.6
98.97571	1.0
98.97813	2.0
98.98450	22.9
100.98882	1.2
103.05452	5.9
104.90739	1.1
105.07044	6.4
107.04946	15.6
109.06522	6.0
111.04462	1.5
115.05446	3.0
115.77203	1.1
117.07014	2.3
119.04934	22.1
119.05803	2.0
121.02887	1.3
121.06501	6.9
122.03660	9.7
123.04423	3.2
124.07613	1.7
128.06223	5.2
129.07010	17.3
131.04912	7.1
131.08585	2.7
133.06458	2.4
134.03741	1.1
135.04399	2.7
135.08060	7.9
136.05188	4.8
137.05969	88.7
139.03893	1.5
139.07468	1.4
141.07072	1.8
143.04872	2.6
145.06477	5.3
146.03601	1.1
146.07220	1.5
147.04420	3.7
147.08060	1.5
149.05974	16.7
150.06819	1.8
151.03954	5.4
151.07535	100.0
152.06215	4.1
153.01810	5.0
153.06955	3.2
157.06471	12.8
158.45761	1.3
161.05962	16.7
161.07220	1.5
161.09648	3.4
162.06845	1.5
163.07555	24.1
165.06999	15.5
165.09114	4.4
166.07771	3.9
167.07137	1.0
167.08551	17.9
169.01254	1.4
169.06438	2.4
173.05919	1.5
174.06735	7.7
175.07527	4.7
177.05446	3.5
177.06998	3.2
177.09053	2.7
178.07768	7.2
179.03394	16.2
179.08557	2.3
180.09424	1.4
181.06383	7.0
181.10071	2.2
182.07271	4.8
183.08034	2.3
184.08897	1.4
189.09099	36.2
191.08531	1.7
192.09409	2.7
193.06422	9.4
193.10176	7.7
194.07202	2.3
195.02902	4.8
195.08047	29.5
196.05055	1.1
196.08733	1.8
197.05984	7.5
197.09599	2.2
202.07777	1.8
203.08589	2.1
207.08098	2.6
207.10135	6.2
209.06026	3.4
209.09622	3.7
210.06731	11.3
210.10576	1.1
211.07568	6.8
212.08318	4.7
213.09016	1.8
215.06813	1.1
219.08093	2.4
220.05247	1.2
220.08772	1.7
221.05992	9.4
221.09563	12.0
222.06755	1.5
223.07512	18.3
223.09480	2.1
224.08302	4.2
225.05479	2.2
225.09073	13.5
227.07220	1.5
227.10661	31.0
234.06752	1.8
237.05482	1.5
237.09085	4.5
238.06264	6.8
238.09946	2.7
239.07019	4.7
240.07794	4.8
241.08537	1.9
241.12328	2.6
249.09132	7.1
251.06970	2.1
252.07869	3.2
253.08556	16.7
253.12245	17.6
254.09163	1.3
255.10138	35.1
256.10440	2.1
257.08014	4.3
266.09479	2.1
267.10214	7.0
269.08054	6.6
269.11795	2.5
270.08783	2.6
272.10367	4.7
281.11703	7.5
285.07632	4.2
285.11227	19.6
287.12759	43.8
298.11954	1.5
299.12491	1.7
301.14182	2.0
313.07153	1.9
313.14307	11.8
331.04401	1.8
331.11823	2.3
331.15662	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	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.03943	2.0
55.01856	3.4
57.72586	2.3
69.51783	18.1
79.05508	5.1
81.07059	2.7
81.11905	2.2
84.62661	2.2
91.05479	32.9
94.04174	4.3
95.04975	6.1
98.98475	10.2
103.05448	10.3
105.07003	8.1
107.04948	26.5
109.06497	4.6
115.05424	5.3
117.06989	2.8
119.04953	21.4
121.06487	11.9
122.03627	8.0
123.04396	2.6
128.06236	5.5
129.07010	21.2
131.04927	9.7
133.02835	2.2
133.06491	3.9
135.04384	3.6
135.08073	9.5
136.05188	3.9
137.05971	87.2
145.06497	4.8
146.03662	2.6
146.07266	3.3
147.04344	2.6
148.05208	3.4
149.05974	20.7
150.06740	3.1
151.03937	4.5
151.07530	100.0
152.06206	2.3
154.07674	3.4
157.06473	12.5
158.07164	2.3
161.05971	50.7
161.09624	13.6
163.07535	43.6
164.60947	1.9
165.06953	14.4
165.09106	2.8
167.08543	17.1
169.06448	2.8
169.55888	2.3
174.06700	6.0
175.07568	5.3
177.06859	3.4
178.07779	6.4
179.03311	4.6
181.06506	3.8
181.08589	3.2
182.07205	3.1
187.85991	2.6
189.09106	46.0
192.09341	2.7
193.06485	7.9
193.10121	7.2
194.07310	4.1
195.08047	27.3
197.06027	7.1
197.09605	2.6
202.07906	2.5
203.08524	3.6
205.06448	2.7
206.07397	2.6
207.10162	23.5
209.06056	5.0
209.09555	5.7
210.06737	8.4
211.07471	2.6
212.08305	3.3
219.08076	2.8
221.06003	11.7
221.09576	13.6
223.07491	11.8
224.08444	4.5
225.05469	2.3
225.09036	11.7
227.10640	31.2
231.07927	2.3
236.08263	2.2
237.09030	5.7
238.06174	5.5
239.07103	3.1
240.07855	3.1
241.08607	3.4
241.12344	2.6
249.09122	7.8
252.07753	2.5
253.08711	16.2
253.12206	21.0
255.06483	2.5
255.07271	3.0
255.10104	29.9
267.10208	8.1
269.08179	4.0
269.11761	4.0
272.10410	3.2
281.11719	7.5
285.11230	20.4
287.12729	40.6
298.11792	2.7
313.11066	3.2
313.14240	15.7
331.15451	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	331.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93182	1.2
65.03942	3.2
70.06573	1.8
70.65764	4.6
72.08128	1.6
79.05482	4.7
81.07021	2.3
85.02907	2.0
86.09673	2.6
91.05475	42.6
94.04189	3.3
95.04962	8.5
95.05489	1.2
98.98469	16.1
102.99915	1.4
103.05450	3.8
105.07016	5.4
107.04927	9.5
107.08575	1.3
107.96986	1.3
109.06509	4.6
109.38615	1.4
115.05425	1.8
116.06294	1.3
116.07085	1.9
116.24220	1.4
117.07036	2.9
119.04925	22.4
121.06509	8.2
122.02807	2.1
122.03616	9.5
123.04408	3.1
124.05258	1.4
128.06229	4.3
129.07001	18.1
131.04967	6.3
131.08571	2.2
133.06488	3.0
134.03586	1.6
135.04402	2.8
135.08051	7.8
136.05182	4.5
137.05966	88.9
143.04936	1.9
145.06465	4.7
146.07219	1.8
147.04408	2.9
148.05164	1.4
149.05978	17.6
151.03883	5.2
151.07530	100.0
152.06216	4.4
153.01855	2.8
153.06880	2.4
157.06511	11.5
161.05997	16.4
161.09628	4.1
163.07538	27.8
165.06990	15.5
165.09105	5.5
166.07802	4.1
167.08517	21.2
169.01430	2.3
169.06456	2.8
171.08052	1.7
174.06808	6.6
175.07489	6.4
177.07014	2.2
177.09076	2.8
178.07767	6.4
179.03386	20.8
179.07138	2.0
179.08589	1.9
181.06480	4.9
182.07246	5.5
183.08040	1.7
184.08858	1.6
187.07550	2.1
189.09096	36.9
191.08582	1.7
192.09430	2.1
192.17278	1.4
193.06526	8.6
193.10106	8.8
194.07266	4.4
195.02805	3.3
195.08017	26.5
196.08777	2.3
196.79695	1.4
197.05989	7.6
199.07635	1.6
200.78596	1.2
202.07750	2.0
203.08388	1.9
206.07326	3.3
207.08194	1.7
207.10181	5.9
209.05965	4.3
209.09648	3.6
210.06802	9.6
210.10287	2.7
211.07567	6.8
212.08267	5.3
213.09106	2.1
219.08110	2.6
221.06032	9.6
221.09557	13.1
222.06711	2.2
223.07492	14.2
224.08249	4.2
225.05519	1.8
225.09061	12.2
227.07072	3.5
227.10634	32.9
234.06642	1.5
235.07437	1.7
237.09169	4.1
238.06184	4.8
238.09833	2.9
239.07016	3.7
239.10655	2.5
240.07819	4.6
241.08652	1.9
241.12347	1.7
242.09329	1.7
243.10429	1.5
245.97617	1.5
249.09103	8.5
251.06876	1.6
252.07773	3.3
253.08618	15.3
253.12234	16.8
255.06335	1.6
255.07352	2.3
255.10152	34.6
256.10492	2.1
267.10077	7.4
269.08066	6.5
269.11606	2.3
272.10416	4.6
281.11707	7.6
285.11163	23.8
287.09525	2.6
287.12759	44.9
297.88239	1.5
299.12860	2.3
313.14215	11.7
331.04520	2.3
331.11932	1.8
331.15518	4.5
341.98364	1.2
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	Dihydroconiferyl dihydro-p-coumarate
Peak:m/z	Relative Intensity
51.02382	0.2
53.03938	0.9
55.01869	0.5
56.96559	0.2
64.38344	0.2
67.05511	0.3
67.57626	0.2
69.07057	0.4
77.03931	0.3
79.05495	1.2
81.03409	0.3
81.07060	0.5
90.05296	0.2
91.05479	0.9
93.07054	0.3
95.04972	1.6
95.08611	0.5
98.20770	0.4
98.98465	5.5
100.98872	0.3
105.07027	0.8
107.04951	100.0
108.05296	0.9
111.34274	0.2
119.05040	0.3
119.08585	1.3
121.02831	0.3
121.06465	1.4
121.10151	0.4
123.04455	0.4
126.72941	0.2
129.06992	0.3
131.04919	0.9
131.08583	0.3
133.06509	0.5
137.05984	0.4
144.43295	0.2
145.06520	0.6
147.04378	0.3
147.08060	0.9
149.05978	1.3
149.09578	0.3
151.07542	0.8
151.11177	0.3
153.01813	0.9
161.05974	0.4
161.09619	0.6
165.06886	0.3
165.09015	0.3
168.07698	0.3
170.65869	0.3
175.07521	1.4
176.98898	0.6
177.05472	0.6
179.03391	11.3
179.10666	0.7
180.03717	0.3
181.08562	1.2
183.10176	2.1
186.06750	0.3
192.07826	1.0
195.06543	2.5
195.08089	0.4
195.10315	0.3
207.10158	5.5
210.08859	0.8
219.10245	0.5
225.11205	20.6
237.11191	0.7
238.09828	0.3
253.12245	0.5
266.09656	0.3
267.09973	0.4
281.11737	0.7
281.88074	0.2
313.14328	3.7
331.04514	0.5
331.11667	2.1
331.15393	3.9
331.19244	0.5
343.45645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1539
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
53.03944	1.1
54.88438	0.8
55.01866	1.1
55.05487	1.1
56.96555	0.9
63.97039	0.8
64.10859	0.8
65.03926	1.8
66.30847	0.8
67.05508	1.9
69.03415	1.3
71.60321	1.1
78.67078	0.9
79.05468	4.1
81.07047	2.9
83.04970	1.6
91.05475	39.5
93.03371	1.0
93.07001	1.1
94.04177	5.0
95.04964	9.6
95.08635	2.2
97.02911	1.1
98.97852	1.7
98.98458	21.6
99.63311	0.9
103.05443	6.7
105.07023	7.3
107.04958	13.0
108.05686	0.9
109.06509	7.1
111.04417	2.0
115.05442	3.0
116.99475	0.9
117.07014	2.8
118.04140	1.2
119.04938	21.1
119.08598	1.5
121.02825	1.1
121.06492	9.2
122.03659	10.9
123.04420	2.9
123.08102	1.2
125.05937	1.3
127.03936	1.4
128.06226	7.2
129.07001	19.0
131.04927	8.6
131.08565	2.6
133.06491	2.5
135.04353	1.9
135.08026	8.6
136.05234	5.1
137.05968	96.7
139.07491	1.5
141.06929	2.0
143.04913	2.0
143.49770	1.0
145.06496	5.1
146.03618	1.8
147.04356	2.4
147.08015	1.3
148.05122	1.9
149.05978	13.6
150.06715	1.7
151.03873	3.6
151.07532	100.0
152.06227	4.7
152.07564	0.8
153.01811	7.8
153.06950	2.5
157.06474	15.3
158.07243	1.4
159.04390	1.8
159.08115	1.1
161.05978	18.3
161.09610	2.9
162.06613	1.0
163.03926	2.1
163.07526	23.6
165.06978	16.3
165.09084	4.6
166.07722	3.4
167.03316	0.9
167.07166	1.4
167.08549	20.5
168.05669	1.1
169.05049	0.9
169.06477	4.0
171.08078	0.9
174.06781	8.2
175.07526	5.2
176.98912	2.1
177.05617	1.1
177.07004	3.1
177.09106	3.1
178.07758	7.7
179.03384	75.4
179.08540	2.9
180.03720	3.4
180.86258	0.8
181.06480	7.0
181.10110	2.0
182.07236	5.7
183.08051	2.1
184.08801	2.3
187.07544	1.6
189.09100	38.3
191.08522	1.8
192.05556	1.0
192.09322	3.8
193.06494	9.7
193.08148	1.6
193.10071	8.7
194.07249	3.3
195.06270	1.7
195.08047	33.8
196.08771	3.2
197.05942	6.7
197.09561	2.6
197.86646	1.0
198.06810	1.3
199.07570	1.9
202.07787	2.5
203.08586	4.4
205.06520	2.5
206.07181	2.8
207.04434	1.2
207.08032	2.2
207.10095	5.3
209.06026	4.4
209.09511	6.1
210.06754	14.6
211.07536	7.0
212.08359	5.8
213.09111	1.6
214.06090	1.0
219.07921	1.7
220.08784	2.5
221.06017	11.4
221.09589	13.7
222.06631	2.4
222.10175	1.6
223.07513	15.1
224.08237	5.6
225.05469	2.4
225.09056	12.9
227.07007	3.7
227.10641	35.5
227.12910	1.7
228.11009	1.5
229.08591	1.4
231.07961	1.1
234.06654	1.4
234.88083	1.0
235.07552	2.1
237.05420	2.4
237.09019	3.1
238.06177	7.5
238.09822	1.6
239.06923	2.6
239.10614	1.9
240.07750	5.1
241.08556	2.5
241.12120	2.4
242.09267	1.5
248.08275	1.4
249.09081	7.0
250.15416	1.1
250.17912	1.0
251.07030	1.8
252.07813	3.4
253.08557	16.8
253.12207	18.6
254.09169	1.6
255.06523	2.3
255.10153	34.7
256.10501	2.2
257.08157	1.6
259.05746	1.0
263.10764	1.2
266.09354	1.4
267.10077	6.6
269.08063	5.3
269.11600	2.5
270.08771	2.8
271.09647	1.3
272.10388	3.4
281.11743	7.3
284.10349	2.2
285.11206	25.4
287.12735	46.7
299.12741	2.3
301.14322	1.9
303.04938	1.2
313.14276	13.2
331.04407	4.0
331.07971	2.2
331.11646	5.3
331.15253	7.2
331.21054	2.1
332.04999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87904	2.8
55.01875	3.4
65.03963	3.7
67.05505	3.3
69.03436	3.2
69.88884	18.1
71.04991	3.0
77.03944	2.8
78.28368	2.9
79.00354	3.1
79.05484	6.7
81.07034	5.0
81.50613	2.6
85.02868	3.7
87.94774	2.8
91.05478	37.1
95.04959	8.9
98.98457	21.8
103.05464	10.4
105.07026	9.2
107.04946	27.3
109.06511	3.9
111.04436	3.5
115.05498	3.8
119.04955	16.2
121.06514	12.8
122.03662	10.1
128.06221	8.8
129.07021	18.7
131.04932	10.3
131.08620	3.3
132.05763	3.4
133.02803	2.7
133.06499	5.1
135.04417	4.1
135.08034	7.3
135.58371	2.8
136.05208	6.1
137.05978	100.0
146.07262	3.9
148.05182	4.7
149.05988	19.8
150.06743	3.9
151.03967	3.9
151.07533	95.8
157.06506	12.5
157.85356	3.0
161.05986	54.3
161.09599	11.5
163.07532	34.5
165.06985	17.1
165.09102	4.0
166.07747	2.9
167.08525	14.7
174.06833	6.1
175.07596	4.1
178.07758	8.6
179.03473	7.3
179.08604	3.3
181.06454	7.8
182.07294	4.6
189.09108	58.9
193.06480	8.8
193.10162	9.6
194.07312	3.3
195.08060	28.9
197.06032	5.3
198.27132	2.9
203.08408	3.3
207.10149	23.7
209.05969	2.8
209.09624	4.3
209.22900	3.1
210.06764	12.0
211.07491	4.3
212.08350	4.7
221.06036	9.3
221.09645	12.7
223.07564	7.0
224.08246	7.1
225.09129	11.8
227.07021	3.9
227.10606	31.8
237.09152	4.0
238.06209	5.6
240.07832	4.7
249.09178	4.6
253.08508	16.2
253.12225	19.9
255.10162	28.6
267.10110	6.6
269.08057	4.2
272.10461	3.8
277.56961	3.4
281.11752	6.2
284.10651	3.1
285.11224	22.0
287.12759	55.3
313.14331	14.6
331.17227	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	331.1537
Annotation	Dihydroconiferyl dihydro-p-coumarate
Peak:m/z	Relative Intensity
53.03932	0.6
57.62952	0.2
60.67897	0.2
64.07870	0.2
67.05485	0.4
69.03403	0.3
71.33466	0.4
77.53153	0.2
79.05492	1.6
81.03413	0.3
81.07029	0.3
84.46130	0.2
85.46989	0.2
88.21531	0.2
91.05479	1.1
93.07030	0.4
95.04964	1.9
98.98461	7.5
100.98902	0.2
105.07007	0.8
107.04948	100.0
108.05267	0.6
109.10132	0.3
116.99445	0.2
117.07006	0.3
119.08590	0.9
121.06478	1.2
127.03948	0.3
129.07004	0.3
131.04912	1.0
131.08589	0.2
133.06505	0.6
135.08081	0.4
137.05981	0.2
139.95190	0.2
145.06458	0.8
146.07220	0.3
147.08029	0.9
149.05951	1.2
151.07544	0.8
153.01828	0.6
161.06038	0.4
161.09662	0.3
163.07680	0.2
165.09134	0.5
168.07764	0.3
170.76044	0.2
174.99298	0.4
175.07501	1.1
176.08345	0.3
176.98923	0.8
177.05495	0.4
179.03377	8.3
179.06821	0.3
179.10657	0.8
180.03735	0.3
181.08569	1.4
183.10165	1.8
191.07088	0.3
192.07846	0.9
195.06563	0.9
195.10162	0.5
207.10176	5.0
210.08829	1.0
219.10208	0.6
225.11208	18.9
237.11276	0.7
238.09967	0.5
239.10840	0.3
242.24825	0.2
253.12288	0.3
267.10172	0.3
281.11676	0.6
285.11227	0.3
313.14313	3.9
331.04483	0.3
331.11499	0.5
331.15292	3.6
331.18658	0.2
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	Fragransol-B
Peak:m/z	Relative Intensity
53.03954	1.1
55.01844	1.4
56.96552	1.1
65.03933	3.2
66.04707	1.1
67.05521	1.1
70.86033	3.4
72.48642	0.9
75.17676	1.0
79.05493	3.3
81.07063	4.2
83.74284	1.0
85.02860	1.3
91.05476	34.2
94.04192	4.4
95.04967	7.4
98.98468	17.5
103.05463	7.8
105.07031	3.5
107.04958	9.8
109.06512	5.9
111.04455	3.6
115.05448	2.6
115.74616	1.1
117.07040	2.5
119.04938	20.8
121.02863	12.5
121.06507	7.4
122.03651	10.3
123.04454	1.3
128.06184	5.5
129.07008	16.6
131.04939	7.9
131.08549	2.0
133.06517	2.9
135.04475	1.6
135.08049	9.1
136.05185	4.1
137.05972	97.8
138.06294	1.8
143.04930	1.3
144.05724	1.3
144.14943	1.1
145.06477	4.8
146.03673	2.6
147.04413	2.6
149.05986	16.9
151.03922	3.7
151.07533	100.0
152.06233	6.1
153.01852	4.4
153.06972	2.4
154.07806	1.2
157.06491	13.3
161.05972	19.9
161.09637	4.4
163.07539	24.3
165.06996	16.7
165.09036	5.5
166.07751	3.5
167.07181	1.1
167.08553	16.8
169.06496	4.4
169.07759	1.4
171.08052	1.8
174.06706	7.4
175.07484	5.6
177.06969	2.0
177.09114	3.1
178.07764	8.6
179.03343	2.1
179.08571	2.6
181.06544	5.6
181.10168	2.6
182.07230	5.2
184.08951	1.9
187.07550	1.4
189.07370	2.0
189.09105	35.6
191.08563	2.8
192.09357	2.9
193.06424	9.2
193.10129	9.5
194.07289	3.5
195.05510	2.7
195.08041	25.7
196.08887	1.3
197.05901	5.3
197.09673	2.4
199.11006	1.1
202.07753	2.0
203.08565	3.3
203.49945	1.2
205.06516	3.2
206.07309	2.9
207.08043	2.8
207.10164	6.7
209.05827	4.9
209.09596	3.9
210.06757	12.8
211.07535	4.8
212.08331	6.0
219.08087	1.6
220.08824	1.8
221.05981	9.0
221.09544	13.3
223.07527	12.7
224.08327	4.8
225.05513	3.2
225.09094	14.7
227.07045	4.7
227.10651	34.2
229.06015	1.1
234.06653	2.6
235.07516	2.1
237.05341	1.3
237.09103	3.7
238.06175	7.7
238.09869	2.9
239.07057	3.1
239.10680	1.4
240.07751	3.9
241.08521	2.6
241.12187	2.6
249.09065	8.0
251.06989	2.5
252.07777	2.9
253.08601	18.3
253.12248	17.9
254.09389	1.8
255.06349	2.4
255.10162	34.5
263.10608	1.3
266.09473	2.1
267.10107	7.9
269.08072	5.3
269.11600	2.4
270.08734	3.0
271.07117	1.9
271.09784	1.5
272.10403	5.0
281.11749	8.1
284.10370	1.8
285.08493	3.1
285.11255	21.7
286.04266	1.3
287.12769	49.8
295.07059	1.2
298.11969	1.3
299.12668	2.4
301.14575	1.3
313.08334	10.7
313.14270	17.0
314.03741	3.5
316.05698	2.6
316.09033	5.3
331.04391	2.3
331.07886	6.4
331.11536	5.0
331.15405	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	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
56.96563	2.0
65.03941	2.3
65.25889	2.0
70.75903	3.1
71.04971	1.9
79.05466	4.1
81.07047	2.0
83.04946	1.6
84.96007	3.3
85.02789	1.6
91.05471	32.7
91.96070	1.5
94.04195	3.0
95.04972	4.7
98.98454	17.8
99.21613	1.9
100.74197	1.6
103.05467	4.9
105.06999	6.0
107.04938	8.7
109.06503	4.9
111.04437	2.1
111.75797	1.5
115.05416	2.2
115.36092	1.7
117.07047	2.7
117.18546	1.6
119.04957	17.1
121.06496	7.6
122.03643	10.2
123.04390	2.0
124.87678	1.5
128.06197	3.9
129.07010	15.6
131.04909	4.7
135.08012	8.5
136.05186	3.0
137.05972	76.8
143.04831	1.9
145.06465	4.0
147.04424	2.9
149.06003	14.7
151.03937	4.1
151.07539	100.0
152.06230	2.4
152.07947	1.9
157.06493	12.2
161.05992	14.6
161.09579	2.7
163.07529	19.8
165.06984	13.2
165.09145	5.1
166.07750	1.9
167.03363	1.7
167.07172	3.0
167.08495	16.5
169.06506	3.1
174.06747	7.7
175.07547	3.2
177.05472	3.7
177.06908	3.5
177.09142	3.9
178.07793	8.6
179.03354	9.1
179.08571	3.0
181.05038	2.5
181.06490	7.4
182.07216	6.2
183.07953	2.2
187.07513	1.8
189.09102	32.4
191.08527	2.7
193.06454	5.9
193.10126	5.9
194.07246	3.3
195.06454	2.6
195.08026	27.5
197.05960	5.7
197.09604	2.2
199.07536	2.3
203.08521	2.6
206.07146	1.9
207.10167	5.4
207.22495	1.9
209.06035	2.4
209.09595	2.4
210.06723	9.9
211.07520	5.7
212.08344	6.2
219.08148	2.3
221.06075	8.4
221.09583	11.3
223.07556	10.1
224.08264	4.6
225.09074	9.5
227.06955	3.0
227.10648	33.2
237.09135	2.8
238.06238	5.8
238.09904	2.0
239.06985	2.3
240.07755	3.9
241.12213	2.8
246.17792	1.7
249.09091	7.2
253.08542	14.6
253.12215	13.7
255.10165	30.7
267.10092	4.7
269.08087	2.2
270.08859	3.1
272.10339	4.0
281.11676	7.5
283.55438	2.0
284.10309	2.8
285.11224	18.4
287.12781	44.1
298.12219	1.7
313.10837	2.9
313.14264	10.4
331.11725	5.3
331.26663	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1536
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
55.01863	1.7
56.96568	1.2
65.03941	2.0
69.62850	2.4
69.63257	6.8
70.36203	1.2
79.05479	1.7
81.07055	1.6
85.02891	2.2
91.05479	30.0
94.04208	2.6
95.04944	5.8
98.20711	1.3
98.98447	3.1
103.05453	5.5
105.07041	3.9
107.04942	5.4
109.06518	5.1
111.04428	1.9
115.05441	2.5
117.07020	1.4
119.04942	18.8
121.06516	8.8
122.03643	8.4
123.04446	1.2
123.08107	1.4
128.06218	5.3
129.06996	15.6
131.04929	6.4
131.08708	1.2
133.06509	2.1
135.08026	4.8
136.05170	4.6
137.05974	77.6
141.06978	1.3
145.06480	3.3
146.03618	2.0
146.07202	1.6
147.08017	1.4
149.05974	11.4
149.09605	1.4
151.03909	3.0
151.07536	100.0
152.06175	4.6
153.01797	1.5
153.06964	1.2
157.06477	11.8
161.05978	16.1
161.09621	4.5
163.07547	19.5
165.06995	12.9
165.09140	4.0
166.07800	3.2
167.07141	1.5
167.08539	15.2
173.06009	1.4
174.06801	7.2
175.07541	7.3
176.08337	1.2
177.05513	1.5
177.06903	1.4
177.09055	3.2
178.07753	6.3
179.03450	1.6
179.08525	2.8
181.06490	4.3
181.10164	1.6
182.07231	4.0
183.08058	1.5
189.09105	35.1
189.10735	2.6
192.09312	3.2
193.06584	6.9
193.10120	8.9
194.07236	2.7
195.06299	1.7
195.08044	26.2
196.08768	2.6
197.06000	5.4
197.09637	1.6
202.07706	1.9
203.08531	2.8
206.07271	3.4
207.08127	2.2
207.10138	5.5
209.06001	2.1
209.09622	3.5
210.06738	8.7
211.07500	4.8
212.08327	5.1
220.08868	2.2
221.06013	10.4
221.09528	14.2
222.06593	1.6
223.07538	14.3
224.08284	5.5
225.05583	2.9
225.09044	10.6
227.07097	1.5
227.10640	27.8
234.06786	1.9
237.09038	3.8
238.06239	5.1
238.09872	1.8
239.06982	2.4
240.07867	3.5
241.12172	1.9
249.09081	5.5
252.07722	2.7
253.08600	15.7
253.12239	17.8
255.10168	29.0
263.10828	1.4
267.10135	5.8
269.08035	3.7
269.11667	1.4
270.08963	1.8
272.10400	5.0
281.11789	5.7
284.10468	2.1
285.11224	20.1
287.12778	42.8
299.12704	2.6
313.14343	11.7
331.15436	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	331.1173
Annotation	Daldinal A
Peak:m/z	Relative Intensity
53.03918	1.5
53.91272	1.4
56.96525	1.6
61.02931	1.5
67.05510	3.0
68.81147	1.5
69.03444	1.5
71.19543	1.9
71.19871	2.6
72.08135	2.2
74.64491	1.4
79.05488	2.8
81.03405	1.8
91.05465	3.3
93.07062	3.6
95.04958	4.3
98.98459	51.7
103.31783	1.7
105.07042	2.6
107.04945	100.0
109.06471	2.1
111.04381	1.8
116.99495	2.1
119.08616	2.4
121.02863	1.7
123.04385	3.1
123.08049	3.6
135.04402	4.0
137.05997	4.3
143.03334	1.7
145.10089	2.9
151.07541	44.0
153.01823	7.5
167.03352	2.7
167.07066	2.0
169.08574	4.6
176.98915	3.1
179.03378	91.8
180.03757	6.0
195.06522	30.0
195.08197	2.8
195.27083	1.5
207.06483	13.5
209.07985	1.9
209.40938	1.4
239.07039	7.1
244.52011	1.4
254.09415	7.0
254.38319	1.7
255.06477	8.0
257.11688	13.4
270.08853	11.2
285.11203	39.6
286.11520	1.9
313.10660	13.0
331.04523	3.7
331.11792	16.2
331.15359	3.0
331.22540	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	331.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51009	1.6
53.03945	1.5
68.02635	1.5
70.54980	1.5
71.12542	4.7
73.84763	1.9
79.05471	3.5
81.07005	2.5
82.61839	1.9
91.05476	31.9
94.04156	2.1
95.04954	7.7
98.98475	15.8
103.05437	3.9
105.07005	5.4
107.04953	6.1
108.05830	1.9
109.06497	4.2
111.04453	2.6
117.07040	2.0
119.04934	16.8
121.02862	19.3
121.06487	6.6
122.03663	8.9
128.06219	5.5
129.07004	16.3
131.04907	5.8
131.08528	1.8
133.06447	2.4
135.08032	7.9
136.05191	5.1
137.05975	86.9
145.06485	2.6
146.03584	2.7
149.05984	15.5
151.03943	4.9
151.07536	100.0
152.06158	4.4
153.01784	2.3
153.06984	3.4
155.06046	2.4
157.06514	13.2
161.05963	15.7
161.09674	3.6
163.03914	2.3
163.07532	25.3
165.07001	12.7
165.09142	4.3
166.07796	3.3
167.08560	21.4
169.06462	2.2
174.06775	9.1
175.07544	5.0
177.06929	4.0
177.09065	4.1
178.07727	5.0
179.03389	5.0
179.08417	1.9
180.04120	2.4
181.06473	6.2
181.10115	2.6
182.07266	4.6
184.08928	2.8
189.09108	36.0
191.08525	2.0
192.09262	2.0
193.06487	7.1
193.10201	10.0
194.07211	1.9
195.05405	2.7
195.06422	2.0
195.08015	27.2
197.05962	5.4
197.09425	1.9
202.07817	3.1
203.08612	2.8
207.08234	2.8
207.10187	6.2
209.05875	4.1
209.09584	3.7
210.06691	10.0
211.07426	4.8
212.08318	5.4
213.06416	2.2
219.07922	2.1
221.05753	9.1
221.09459	12.1
223.07506	14.0
224.08315	4.0
225.05385	2.4
225.09024	10.9
227.07053	3.2
227.10716	27.5
235.07503	2.3
237.09229	2.1
238.06259	7.0
238.09932	2.4
239.07108	3.1
240.07800	3.6
249.09073	7.2
253.08641	15.2
253.12231	17.8
255.10146	32.5
256.10840	1.9
265.98947	2.1
267.10101	6.7
269.08142	6.7
269.11563	1.8
271.07114	5.4
272.10406	3.9
273.03830	2.1
280.50833	2.0
281.11755	5.8
285.08481	4.6
285.11240	21.2
287.05740	2.2
287.12772	45.3
295.07193	3.2
301.14423	3.4
313.08273	14.9
313.14297	12.8
314.07645	3.1
331.08209	9.6
331.12119	2.4
331.15314	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	331.1173
Annotation	Samaderin A
Peak:m/z	Relative Intensity
53.03940	0.9
55.01880	0.3
67.05486	0.5
68.99775	0.3
70.28251	1.2
73.80795	0.2
79.05489	2.5
89.09437	0.3
91.05470	1.3
93.07010	0.5
94.04170	0.3
95.04978	2.1
95.08614	0.3
96.05750	0.4
98.98466	1.6
100.98508	0.3
107.04948	100.0
108.05228	1.4
109.06487	0.9
111.04422	0.4
119.04941	0.8
121.02871	1.1
121.06530	0.8
123.04432	1.2
123.08048	2.3
124.05228	1.0
131.04884	0.3
135.04385	2.6
135.07991	0.4
137.05959	0.9
138.06703	0.4
139.03854	1.6
139.07521	0.5
151.07532	45.7
152.04700	1.4
152.07857	0.8
153.09131	0.3
163.03925	0.7
163.07573	0.8
165.05489	0.9
165.06978	0.5
167.03394	3.1
167.07031	0.4
169.08604	3.9
177.05476	0.4
179.03368	4.1
179.06989	0.4
180.04178	1.2
181.06487	0.4
191.07007	1.4
194.05779	0.9
195.06519	28.9
196.06854	0.7
198.05197	0.7
199.07611	0.4
209.08041	0.7
211.07558	0.4
213.09030	0.5
224.08322	0.5
225.09126	0.5
227.06952	0.8
227.10571	0.5
237.07561	0.9
239.06996	6.2
239.09245	0.5
242.09373	0.4
253.08597	0.4
254.09351	6.8
255.06509	7.8
256.06744	0.4
257.11697	15.0
258.11996	0.5
269.08206	1.3
270.08841	12.7
271.09167	0.4
284.10400	1.3
285.11194	38.3
286.11664	1.3
297.07596	0.8
298.08356	0.3
313.10666	11.8
313.14340	0.6
331.11725	9.7
335.20752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0811
Annotation	Irisflavone D
Peak:m/z	Relative Intensity
65.03926	0.5
67.05497	0.6
70.75916	0.4
70.76288	0.4
79.05498	0.2
83.01333	0.8
85.02950	0.2
90.63409	0.2
91.05470	0.3
92.02616	1.9
93.03410	2.0
93.07029	0.2
95.04946	0.6
98.37843	0.2
98.98460	4.1
107.04939	0.5
117.03375	0.6
121.02866	1.4
122.03680	0.3
123.04452	0.5
124.05254	0.3
125.02325	0.2
132.30017	0.2
135.04430	0.2
137.05962	0.8
138.03142	0.6
139.03867	0.2
140.04680	2.3
145.02864	1.0
147.04477	0.2
149.06010	0.4
150.03172	0.3
151.03886	1.8
151.04953	0.3
151.07565	0.7
153.01855	1.5
153.05450	1.4
163.03871	0.3
165.01840	0.2
166.02660	0.3
167.03397	22.0
169.06555	0.3
177.05461	1.8
179.03386	17.3
180.03908	0.4
181.04955	3.3
181.06468	0.4
184.03685	0.5
193.04980	0.4
193.82320	0.2
195.85718	0.2
197.04361	0.4
197.06001	0.3
199.05989	0.6
200.04681	0.3
203.06934	0.2
205.04918	0.3
206.05734	0.2
207.06607	0.3
210.06958	0.3
213.05453	0.5
214.06291	0.7
215.07062	1.4
217.04997	1.6
218.05621	0.3
231.06552	3.0
232.07289	1.3
233.04411	0.7
241.04872	1.5
242.05696	2.5
243.06514	6.8
244.06998	0.3
245.04420	1.5
257.08047	0.4
259.05981	4.1
260.06818	2.9
261.03964	0.3
270.05197	0.4
270.36255	0.2
271.06024	3.8
274.04718	0.6
275.09070	0.4
285.07364	0.3
287.05441	3.6
287.12781	0.4
288.06274	6.0
297.03674	0.2
298.04617	0.5
299.05493	6.4
300.05893	0.3
302.07761	0.4
309.83322	0.2
315.04895	0.4
316.05753	21.9
317.06290	0.4
331.08099	100.0
331.11261	4.0
332.08405	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	331.0812
Annotation	Malvidin
Peak:m/z	Relative Intensity
52.18827	0.1
55.01857	0.3
58.05444	0.1
65.03926	0.6
67.05486	0.6
68.99790	0.1
69.03425	0.1
69.81973	0.1
70.07831	0.2
70.08221	0.3
71.65400	0.1
74.11924	0.1
77.16092	0.1
79.01786	0.1
79.05482	0.4
81.03419	0.5
81.07027	0.3
83.01336	1.4
83.04957	0.4
85.04196	0.1
91.05466	0.5
93.03411	0.5
95.04952	0.7
97.02897	0.3
97.06521	0.2
97.54909	0.1
98.21421	0.1
98.98461	2.1
107.01273	0.1
107.04938	0.5
109.02868	0.5
109.06496	0.9
110.03653	0.1
111.04425	0.4
115.92795	0.1
119.04931	0.2
121.02847	2.2
121.06493	0.2
123.04423	0.9
125.05962	0.2
127.03906	0.2
129.06995	0.3
131.08487	0.2
133.59259	0.1
135.04385	0.5
137.02342	6.8
137.03384	0.4
137.05963	1.3
139.03909	0.2
145.06451	0.3
145.10176	0.2
147.04341	0.6
149.02341	0.4
149.06021	0.2
151.03935	0.3
151.07535	0.3
153.01810	0.7
153.05437	0.3
153.06905	0.2
154.06239	0.3
154.07602	0.1
155.03360	0.1
155.07265	0.1
155.08528	0.6
158.07314	0.3
161.06024	0.2
163.03893	0.8
163.07564	0.1
165.05466	1.0
165.06998	0.4
167.03386	1.3
167.07141	0.1
167.08560	0.2
168.05710	0.4
169.04915	0.1
169.06416	0.1
170.30200	0.1
173.05946	0.4
173.09653	0.4
175.03951	0.2
176.98981	0.3
179.03394	7.8
180.03648	0.2
181.04948	9.5
183.08029	1.0
187.07483	0.1
193.04950	4.7
193.06696	0.3
194.05727	0.5
196.05164	0.2
197.05986	0.2
201.05461	0.3
201.09109	0.3
207.06560	0.3
209.05927	0.1
211.05821	0.2
211.07567	1.6
213.05373	0.2
213.08922	0.1
214.06235	1.7
215.06830	0.2
222.05151	0.3
223.05940	0.3
223.07867	0.1
228.07681	0.2
229.04984	0.2
229.08580	2.8
231.06456	0.2
239.07059	0.5
241.04956	0.2
242.05653	0.7
243.06525	0.6
245.07840	0.2
247.09724	0.3
254.12637	0.1
255.06552	0.5
256.07388	0.7
257.08084	6.6
258.08331	0.2
259.05917	0.3
260.06738	0.4
267.06558	0.4
271.06052	0.3
273.07571	0.3
275.09189	0.8
285.07571	3.1
287.05487	0.3
288.06317	0.5
299.05524	0.5
299.09113	0.1
302.07840	1.5
303.08493	0.2
313.07047	1.1
314.07922	0.2
315.04974	0.2
316.05743	1.4
329.06595	0.6
331.08093	100.0
332.08441	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.081
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
53.50099	0.3
55.01842	0.4
58.66883	0.3
61.02873	0.3
67.05476	0.5
68.99754	0.4
69.03402	0.3
70.28242	1.4
73.50132	0.3
80.85736	0.3
81.03397	0.5
81.07016	0.6
82.12228	0.3
91.05459	0.5
93.07008	0.4
95.04929	0.7
98.97869	0.5
98.98461	7.5
105.07010	0.3
107.04904	0.4
108.62839	0.3
109.02876	0.5
109.06384	0.3
109.10162	0.3
110.03671	1.4
111.04457	0.3
111.08001	0.3
112.56785	0.3
115.86797	0.3
116.99480	0.3
121.02837	0.5
123.04390	0.7
123.48955	0.3
125.02300	0.4
131.04860	0.4
137.02342	5.0
137.03371	0.4
137.05896	0.5
138.03107	0.6
140.04665	0.4
145.10120	0.4
149.05943	0.3
151.03873	1.2
153.01814	1.5
154.02531	0.4
159.38037	0.3
165.01819	0.4
167.03368	2.4
168.04147	0.3
168.05722	0.4
174.99107	0.4
176.98891	0.6
178.02518	0.6
179.03395	18.6
195.06400	0.5
204.04152	0.8
207.02872	0.4
210.06573	0.3
213.05373	0.8
214.06247	1.8
221.27643	0.3
231.06555	0.6
241.04929	0.7
242.05708	4.9
243.06558	2.1
245.04440	0.8
246.07587	0.3
248.29730	0.3
259.05975	3.3
260.06787	0.6
261.03906	0.8
269.04523	0.6
270.05240	1.7
271.05957	3.5
271.08688	0.4
273.03992	1.4
280.55563	0.3
287.05505	3.6
288.06265	7.3
289.09348	0.3
297.03986	0.5
299.02374	0.4
299.05563	4.0
315.04968	23.2
316.05762	76.8
317.06284	1.5
331.08105	100.0
332.08441	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	331.0808
Annotation	5,7,8-Trihydroxy-3,6-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05493	0.3
56.96524	0.3
59.06968	0.3
61.20992	0.3
65.19884	0.3
67.05470	0.4
67.97670	0.3
68.99780	0.5
70.95422	0.5
70.95741	0.4
73.78170	0.3
79.45841	0.3
89.86824	0.3
91.05450	0.5
98.98462	7.1
107.04922	0.6
109.10177	0.3
123.08086	0.3
124.05190	0.6
127.03909	0.4
129.06850	0.3
134.03600	0.5
137.02272	0.5
138.74344	0.3
143.03304	0.4
151.03961	1.6
151.04968	0.4
153.01826	3.0
164.04646	0.3
175.96001	0.3
176.98965	0.5
179.03386	17.2
180.03639	0.6
189.05417	1.2
199.03986	0.4
213.05325	0.5
217.04945	6.7
218.05486	0.6
229.04964	0.8
230.05688	0.5
231.02803	0.5
243.06465	0.6
245.04431	13.1
257.04434	0.8
265.72806	0.3
269.04382	0.9
270.05106	0.5
273.03912	13.6
274.04401	0.4
285.03943	0.8
287.05533	2.2
288.06302	2.6
291.80960	0.3
299.05630	0.8
300.02609	2.5
301.03400	27.8
302.03879	0.9
315.04941	15.1
316.05746	60.7
317.06076	1.7
331.08084	100.0
332.08298	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	331.0811
Annotation	Dillenetin
Peak:m/z	Relative Intensity
51.26554	0.6
67.05491	0.6
69.03411	0.9
69.78288	0.5
71.59054	0.6
83.01341	0.8
91.05448	1.6
93.07024	0.6
95.01299	1.2
95.04960	1.2
98.97850	0.8
98.98466	15.6
107.04943	4.6
109.06503	1.5
110.03659	3.5
111.04415	0.8
116.99483	0.7
119.59332	0.5
121.02853	5.3
122.03168	3.3
123.03365	1.9
123.04378	1.1
124.05189	2.9
127.03901	0.8
131.08553	0.6
135.04419	0.9
137.02310	6.6
139.03914	2.6
145.02919	0.7
145.10109	0.8
151.03926	0.8
151.07516	2.0
152.04686	1.3
153.01826	2.1
163.03938	3.2
165.05408	0.8
167.03391	12.9
176.98878	1.3
179.03395	20.0
180.04141	4.5
195.06523	75.9
198.05232	3.7
199.03987	0.6
207.02853	1.0
213.05409	0.8
214.06226	0.8
217.04922	1.3
227.03252	0.7
231.02907	0.7
241.05043	0.7
242.05788	3.0
243.06607	1.2
245.04373	2.1
257.04349	0.7
259.06009	1.9
269.04337	0.5
271.05972	2.4
273.03937	15.7
285.11224	1.3
287.05463	8.5
288.06250	5.1
299.05527	2.0
300.02695	1.1
313.10715	0.8
315.04977	19.9
316.05759	76.8
317.06113	1.7
331.08124	100.0
331.11719	11.7
332.08478	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	330.3001
Annotation	Palmitoyl Serinol
Peak:m/z	Relative Intensity
52.22704	0.2
55.05513	2.1
56.05042	1.6
56.47956	0.2
56.96560	0.3
57.03444	1.4
57.07058	0.3
57.82777	0.2
58.06603	3.0
67.05170	0.3
67.05506	4.7
69.03443	0.3
69.07086	1.6
70.06609	1.6
70.65715	0.2
70.66476	0.7
71.04984	0.4
71.07365	0.4
72.08169	2.1
79.05484	1.2
81.07060	4.9
83.08605	1.0
84.08144	8.9
85.06535	0.4
86.09668	0.4
88.07628	0.6
91.05467	0.8
93.07040	1.1
95.04860	0.2
95.08620	3.7
96.08117	0.5
97.10180	0.4
98.09679	0.8
98.98462	3.5
105.07023	0.3
107.08607	0.7
109.10158	1.5
112.11244	1.0
119.61449	0.3
121.02856	0.3
121.06557	0.3
121.10130	0.6
133.10104	0.3
135.11678	0.3
137.05954	0.5
141.15466	0.3
153.01808	0.5
178.41315	0.3
179.03406	2.2
197.01271	0.6
208.05157	0.4
220.39037	0.3
267.31445	0.3
287.05676	0.3
294.28009	2.2
312.28943	26.4
315.08557	0.6
330.06833	0.8
330.10889	0.8
330.30017	100.0
331.11566	0.6
331.30328	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	330.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.6
55.47012	0.8
56.66323	0.7
65.03928	1.9
67.01849	1.2
68.99789	5.5
70.97221	2.5
74.02417	1.1
78.38683	0.8
79.05458	1.1
85.02874	0.9
86.09668	3.3
91.05454	2.7
92.07190	0.9
95.04938	1.3
98.97853	1.1
98.98460	15.3
103.05465	6.0
105.03368	1.3
105.07013	7.0
107.04975	5.3
108.90631	0.9
109.02851	0.7
111.00751	1.5
111.04432	1.5
115.22219	0.8
119.04909	3.2
120.08068	2.6
121.02864	32.6
121.03842	1.6
121.06473	2.7
122.03199	10.4
123.00825	0.8
123.04413	1.0
131.04926	6.8
133.02792	1.3
133.05331	1.9
133.06453	8.1
135.04381	3.8
137.02333	2.1
141.07010	0.9
145.06465	2.3
146.11761	1.1
147.04330	2.2
148.07565	24.1
149.02281	1.5
149.08318	1.7
150.09155	8.7
151.03888	1.3
153.01825	24.8
153.06996	1.2
155.08447	1.1
157.06494	1.4
159.04448	1.0
161.05969	1.5
163.03897	19.5
165.01799	1.6
165.06963	3.7
167.03378	2.0
168.03700	1.2
169.06448	1.2
176.07066	25.6
176.98929	1.2
178.08647	8.9
180.02818	1.1
181.01299	1.3
182.06824	1.1
183.02948	1.8
183.08014	2.0
185.05971	1.0
187.03828	1.9
191.03404	1.2
193.06438	1.4
197.05933	2.6
199.07440	1.0
201.05406	1.5
205.04910	2.8
208.05179	1.0
210.03827	2.1
211.00809	0.9
211.03865	1.1
211.07523	3.6
213.05385	1.8
215.06953	1.1
219.02866	7.7
221.06023	5.7
225.05449	1.5
226.06137	1.1
227.06746	2.6
228.06479	5.8
229.04929	2.9
230.05309	1.2
231.06641	1.0
238.05827	1.0
239.07071	5.1
241.04887	1.2
242.05478	2.1
246.07443	1.5
249.05437	1.8
250.06096	2.4
253.04990	2.0
254.05936	1.1
256.07220	5.7
257.04373	3.1
257.08096	12.4
258.05011	1.4
266.05609	2.1
267.06503	29.2
269.07889	1.3
270.07516	1.0
271.05984	1.9
272.06198	1.6
273.07047	2.2
283.05856	1.6
284.06223	10.4
284.09186	2.5
285.03906	4.5
285.07452	3.4
286.04257	3.5
287.05435	35.0
288.05777	4.6
289.05975	1.2
295.05997	62.4
296.06763	4.3
298.04651	5.7
300.05951	6.6
301.06558	9.8
302.06915	2.5
312.05597	5.2
312.08633	11.6
313.03360	17.6
313.06958	100.0
314.07394	1.5
315.08554	3.1
330.06778	97.8
330.29913	1.7
331.04303	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	330.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
56.96562	6.4
60.04518	10.8
65.03948	4.8
70.06586	14.8
73.02883	4.8
79.05486	6.1
81.03374	5.0
84.04483	4.1
85.02904	7.6
86.09698	4.8
91.05473	5.8
95.04962	5.2
97.02913	8.2
98.98466	100.0
100.24630	2.8
104.50118	2.9
106.06524	3.0
107.04953	10.9
108.08113	3.5
109.02865	6.0
111.04500	3.8
116.98660	6.4
116.99450	4.3
121.02785	4.2
122.06024	5.1
123.04431	15.9
125.02350	3.0
126.05530	10.8
127.03885	5.1
132.04437	5.0
133.02850	5.9
134.06044	6.7
135.04445	10.3
135.06721	4.2
136.07582	5.4
137.02385	3.1
137.05980	4.7
138.05492	12.1
139.03914	9.9
146.06015	5.7
147.04440	8.7
148.07547	4.3
149.02306	7.2
150.05495	38.9
151.03923	7.7
152.07027	5.6
152.66499	3.3
153.01823	6.7
162.05479	18.0
163.03902	17.5
163.06224	5.0
163.41266	2.7
164.07063	8.1
165.01881	4.7
165.05554	3.3
166.05090	5.6
168.06549	26.9
169.01459	4.3
174.99252	7.5
175.03952	5.5
176.07063	5.2
176.98969	3.7
177.05453	5.5
178.04991	12.8
179.03426	18.7
180.06544	25.5
181.07346	9.3
184.05885	3.9
187.08641	4.0
191.03397	4.3
192.06522	7.3
193.04868	4.3
197.04382	4.2
198.07605	7.3
203.03477	4.7
203.05354	4.2
204.06598	8.8
205.05028	3.1
206.04475	18.3
207.02892	16.5
208.06091	4.7
209.04390	4.3
210.07649	6.3
217.01305	6.1
221.04419	11.6
222.04788	3.3
222.07576	12.2
223.04225	19.9
224.05579	3.5
225.03836	5.4
233.09341	4.8
240.08665	24.6
241.03346	3.3
248.05499	5.0
254.06596	9.4
267.05011	6.9
270.06030	7.9
284.07669	11.2
288.07205	7.7
312.07016	10.5
313.05472	15.0
330.08170	81.1
330.11572	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	329.3049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58482	0.7
53.03941	1.0
53.92746	0.9
55.05499	3.9
56.96558	5.7
57.03424	2.2
57.07071	1.6
58.06589	2.2
65.03925	1.1
67.05493	8.5
69.03401	1.5
69.07061	7.3
71.08642	1.6
79.05486	3.3
81.03388	1.4
81.07055	15.5
83.08602	4.3
84.96008	1.4
85.02887	1.5
85.06522	3.3
89.28526	0.9
91.05464	3.0
93.07032	3.6
93.91216	0.8
95.04968	2.1
95.08604	13.1
97.02869	1.0
97.06474	1.3
97.10159	4.2
98.98460	100.0
99.08065	2.6
100.05898	0.9
100.96870	0.9
103.05455	2.1
105.07043	2.0
107.04945	2.2
107.08560	3.9
109.10143	11.4
111.04415	1.4
111.11732	1.9
115.05461	1.5
116.99474	5.6
119.04968	1.7
119.08545	1.0
121.02869	1.4
121.06499	3.5
121.10122	2.6
122.03594	1.0
123.04433	5.6
123.11673	4.1
125.05988	1.5
127.00665	2.3
131.04900	2.7
133.02840	6.6
135.04350	1.7
135.11676	1.8
137.05943	6.9
137.13213	1.8
145.01668	4.7
147.04399	11.7
149.01282	1.0
149.05972	8.6
149.13235	2.6
150.06729	3.0
151.07516	2.1
153.01718	1.1
153.05508	1.1
159.11761	1.0
161.05910	1.3
163.02779	1.8
174.99246	9.6
176.98900	3.7
181.04999	4.7
181.08553	2.0
183.06473	1.0
190.03886	1.6
190.08539	1.1
197.01242	3.0
209.08080	3.2
210.01959	1.8
215.02466	1.2
221.11694	1.0
230.07021	1.0
240.08012	1.1
247.08646	1.8
255.06314	1.0
263.05939	6.0
264.06323	1.0
269.07806	1.1
281.07040	2.9
285.10123	2.6
287.05444	7.3
288.08304	1.2
293.28360	1.9
297.11258	1.7
311.12537	1.2
311.29422	2.2
313.06946	1.6
314.07751	3.4
315.08542	2.6
329.06393	1.1
329.10104	9.7
329.13818	8.5
329.21014	1.9
329.24719	1.0
330.10599	3.1
331.11728	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.7
56.96559	2.3
57.03439	2.2
57.07059	1.5
57.89862	1.0
61.59342	0.8
67.05499	7.7
69.03424	1.1
69.07068	8.1
71.59316	1.5
71.59685	1.6
73.90668	0.8
75.08904	0.9
79.05494	3.4
81.03407	1.3
81.07059	14.4
83.08599	4.9
85.02929	1.5
85.06537	3.5
91.05463	1.9
93.07043	3.2
95.08608	10.5
97.02882	2.1
97.10175	3.3
98.98466	100.0
99.08089	1.9
103.05487	2.0
105.07066	0.9
107.04966	1.3
107.08613	2.3
109.10151	9.0
110.29381	1.0
111.11719	1.6
116.98726	1.5
116.99493	5.4
119.04905	1.1
119.08574	1.6
121.02828	1.9
121.10146	2.0
123.04434	4.4
123.11708	3.7
131.04929	6.4
131.08527	1.0
131.97897	1.1
135.08070	1.1
135.11708	2.2
137.05981	2.6
137.13301	1.2
147.04408	11.0
149.13240	2.0
151.04019	1.4
151.07608	1.1
174.99234	8.2
176.98982	3.7
181.08669	2.1
183.82074	1.0
208.05190	5.6
209.08086	7.8
225.05515	1.6
229.14409	1.3
247.08617	1.5
267.09039	2.6
269.08176	5.2
269.11368	1.0
271.06161	1.2
283.09122	1.5
285.10086	3.3
293.28262	1.1
297.11053	1.5
298.08142	1.3
299.09122	1.0
311.08801	5.1
311.29208	1.2
313.07196	1.8
314.07544	17.8
315.08530	10.1
328.09018	1.1
329.03137	1.1
329.09927	20.1
329.13858	8.9
329.20825	1.2
330.10803	9.3
330.13864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1382
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
53.03943	1.0
53.54819	0.5
54.58596	0.4
55.01864	0.7
59.04990	0.6
64.23199	0.5
64.59300	0.5
65.03925	0.9
65.70811	0.5
67.05479	2.5
69.03424	0.7
69.07044	0.5
69.73260	3.0
77.03927	0.8
79.05498	3.7
79.11571	0.4
81.07047	1.9
83.01334	2.2
91.05480	8.3
93.07017	2.0
95.04972	3.7
95.08601	2.0
97.06529	0.9
98.21393	0.8
98.98463	40.1
100.61754	0.6
103.05463	14.9
105.03385	1.4
105.07041	4.6
107.04951	14.8
107.08604	1.3
109.02907	0.6
109.06506	1.9
109.10188	0.6
115.05434	3.3
116.99488	1.6
117.07037	0.9
119.04967	5.4
119.08559	0.9
121.02862	1.0
121.06503	4.1
121.10212	0.5
123.04421	41.2
123.08083	2.9
124.04731	0.6
129.03368	1.2
129.05479	1.3
129.06998	1.1
130.04173	0.9
131.04919	14.9
133.06476	2.6
135.04401	2.1
135.08043	2.9
136.05157	0.9
137.02350	0.6
137.05965	9.8
137.09601	1.2
138.06737	2.5
139.07581	1.4
140.01123	0.7
143.04909	5.1
144.05702	0.6
145.06494	1.5
147.04405	81.7
148.05055	2.1
149.05980	5.9
150.06718	0.6
151.07515	4.5
152.08258	0.8
153.05429	1.2
153.09074	3.0
154.06294	0.8
157.06474	1.4
159.04433	1.1
161.05978	14.2
162.06738	0.6
163.03883	0.7
163.07600	0.9
165.05554	0.8
165.06999	1.8
165.09064	4.1
166.06233	0.8
166.07700	0.6
166.09834	0.7
167.07025	1.7
167.08516	0.9
168.07808	4.3
169.06435	0.8
169.08611	1.7
169.09955	0.5
173.06001	1.0
174.99278	3.6
175.07547	4.5
176.98936	0.9
177.05495	3.1
177.06877	0.8
178.06322	0.5
178.07800	0.8
179.07034	3.0
179.08606	1.4
180.09296	0.9
181.06544	1.4
181.08592	24.4
181.10007	1.1
182.09294	1.1
183.08235	0.8
183.10162	10.2
185.05960	0.9
186.06638	0.6
189.05457	2.1
189.07021	0.8
190.07753	1.0
191.07112	1.1
191.08563	3.3
192.07741	1.0
192.09348	1.0
193.06628	0.5
193.08592	2.2
193.10173	0.9
194.07323	1.0
195.06526	1.3
195.08096	2.4
195.10165	1.9
197.06015	1.4
197.09607	1.2
199.07626	0.8
202.07693	0.7
203.06920	0.6
203.08595	0.7
205.06656	0.6
205.08595	2.6
206.07355	0.5
207.08130	1.0
207.10025	0.9
208.05098	0.5
208.08827	3.2
209.07903	1.3
209.09683	2.7
210.10214	0.5
211.07550	3.2
212.08484	0.5
218.07256	1.0
219.08041	4.0
219.10191	1.9
220.08795	1.2
221.05992	1.0
221.09570	3.1
222.06706	0.9
222.10291	1.3
223.07491	2.6
223.09618	3.4
223.11299	1.7
224.08229	1.1
225.05588	0.7
225.09134	2.6
226.09801	1.5
227.06967	0.9
233.09612	1.8
235.07529	1.9
236.08310	2.1
237.09108	8.0
238.09869	4.5
239.06992	3.2
239.10681	0.8
240.07799	1.3
241.08615	1.5
241.12198	0.8
243.10010	0.7
247.07663	1.1
249.09151	1.7
251.06828	0.9
251.10715	4.6
252.99921	0.6
253.08519	3.3
254.09346	5.9
255.10065	3.5
257.08292	0.5
261.09235	0.9
263.07010	0.9
264.07889	1.7
265.08569	6.5
266.09271	2.6
267.06448	1.5
267.10120	1.4
268.10904	1.4
269.08719	0.8
269.11664	4.9
270.12372	1.7
271.09647	1.7
278.09384	0.8
279.10156	2.9
280.10974	1.0
281.08115	3.7
281.11676	2.2
282.08923	4.6
283.09637	4.4
283.13116	1.3
284.19510	0.7
286.12045	1.5
293.16751	0.5
295.09607	1.2
296.10416	2.1
297.11215	14.0
298.08578	0.8
298.11914	2.3
299.09137	7.5
299.12500	0.9
301.14334	1.9
311.12762	28.2
313.10703	1.8
314.11453	4.1
329.13821	100.0
330.14142	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	329.1382
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
52.23162	0.6
53.03955	0.8
55.05507	0.7
56.96557	2.1
57.03419	1.2
61.02929	0.9
65.03929	0.8
66.34309	0.6
67.05505	4.4
69.03448	0.7
69.07069	1.0
70.07557	2.1
71.04971	1.2
75.04480	1.0
77.03928	1.1
79.05472	3.0
81.03424	0.8
81.07050	2.4
83.01340	1.6
83.04969	0.7
85.02894	1.9
91.05478	8.9
93.07027	1.8
95.04964	4.8
95.08608	1.6
97.02889	1.1
97.06545	1.0
98.98462	55.7
102.04642	0.8
103.05468	15.8
105.03379	1.2
105.07038	4.3
107.04951	3.0
107.08572	1.9
109.06519	2.9
109.10145	2.5
111.04395	0.8
115.05460	3.5
116.99499	2.4
119.04940	6.1
119.08542	1.0
121.02863	1.3
121.06472	3.1
121.10209	0.7
122.07259	0.8
123.04427	44.9
123.08056	3.6
129.03358	1.3
129.05458	1.7
129.07008	0.8
130.04129	0.9
131.04916	13.6
131.08627	0.8
133.06470	1.9
135.04385	3.2
135.08055	2.5
137.02353	1.6
137.05975	12.2
137.09602	1.4
138.06776	1.6
139.03885	0.9
139.07498	1.3
141.06923	0.8
142.08620	0.8
143.04900	5.7
145.06424	0.8
147.04405	97.5
148.05019	1.9
149.05966	4.8
151.07520	5.6
152.06223	0.7
152.08372	0.9
153.05513	1.6
153.06940	0.7
153.09076	3.9
154.06297	0.9
160.05167	1.2
161.05978	15.6
162.06708	0.9
163.03893	0.7
163.07605	1.0
165.06975	1.4
165.09129	4.0
166.06279	1.4
166.07690	0.7
166.09857	1.8
167.07016	2.1
167.08476	1.0
168.07837	4.2
169.08530	1.2
173.05994	1.4
173.11752	0.7
174.99255	4.8
175.07542	2.4
176.98935	1.2
177.05457	2.6
178.06348	0.9
178.07767	0.8
179.07013	2.3
179.08511	1.5
180.09378	1.3
181.08598	29.9
182.09325	2.0
183.08493	1.1
183.10155	10.2
187.07555	0.8
189.05476	3.4
190.07892	0.8
191.07056	1.0
191.08578	4.0
193.08571	1.3
193.10129	1.4
194.07254	0.8
195.08047	2.2
195.10175	2.5
197.06023	1.0
199.07603	0.9
203.07054	0.9
205.08530	1.5
206.04460	1.3
207.08185	1.2
207.10094	1.0
208.05247	1.4
208.08849	2.6
209.08073	5.5
209.09702	1.7
210.06679	0.7
210.10231	1.1
211.07611	4.0
217.04987	3.2
219.08046	4.3
219.10159	2.0
220.08867	1.3
221.06076	0.8
221.09583	1.9
222.10312	1.1
223.07486	2.2
223.11169	2.0
225.09119	2.9
226.09747	1.1
227.06984	1.3
227.10620	1.0
229.07524	1.9
235.07520	1.2
236.08286	2.3
237.09070	6.8
238.09784	4.1
239.07013	3.5
239.10652	0.8
240.07713	1.6
241.08490	1.5
243.06583	0.8
243.10260	0.9
247.07997	1.1
249.05681	0.9
251.07095	0.8
251.10704	3.2
253.08636	4.5
254.09373	6.8
255.10083	4.0
264.07831	0.8
265.08569	6.3
266.09372	2.3
267.06424	2.0
267.09259	1.3
268.07132	0.8
268.10931	1.1
269.08167	1.7
269.11719	6.1
270.12521	1.3
271.09637	1.8
279.10175	2.7
281.08032	2.9
281.11606	1.4
282.08798	4.3
283.09622	5.4
283.12930	1.1
284.10321	0.8
285.10089	4.5
286.11972	0.9
296.10510	0.9
297.11203	15.9
298.11819	3.4
299.09103	7.7
301.14261	2.5
311.12775	13.0
313.10648	1.8
314.08081	0.7
314.11404	4.1
315.08490	1.3
329.06625	3.0
329.13803	100.0
330.10782	1.3
330.14163	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	329.1381
Annotation	Piperphilippinin V
Peak:m/z	Relative Intensity
51.02377	0.7
51.86172	0.7
53.03938	1.4
55.01868	0.8
67.05500	2.8
69.03413	0.8
69.49764	5.8
70.10460	0.6
72.08145	0.9
74.68211	0.6
77.03942	2.1
79.05482	2.6
81.03391	1.2
81.07040	1.1
81.73215	0.7
83.01337	1.7
85.02918	0.7
90.59046	0.6
91.05478	9.4
93.07046	1.5
95.04989	3.5
95.08589	2.1
97.06513	0.8
98.98459	20.2
103.04783	1.0
103.05463	18.0
104.05792	0.8
104.45568	0.7
105.03387	1.8
105.07021	3.6
107.04964	1.9
107.08601	1.1
107.44382	0.7
109.06537	1.8
109.10143	1.3
115.04782	0.6
115.05446	4.0
116.99535	1.0
117.07007	0.7
119.04954	5.8
119.08553	0.9
121.06479	2.6
123.04422	54.4
123.08092	2.9
125.06087	0.7
129.06969	0.9
131.04922	16.4
133.06488	1.6
133.45987	0.7
135.04404	3.0
135.08017	2.1
136.05194	1.2
137.02313	1.0
137.05968	9.5
137.09589	1.0
138.06758	3.3
139.03862	0.7
143.04935	4.3
147.04401	100.0
148.04839	2.3
149.05960	4.4
151.07532	5.4
152.08287	0.8
153.05464	1.4
153.09081	3.5
154.06224	1.6
160.05222	0.8
161.05981	15.3
165.06955	0.9
165.09094	3.2
166.06267	1.4
166.09865	1.0
167.07027	1.8
167.08479	1.3
168.07802	4.3
169.06480	1.0
169.08562	2.2
173.06007	0.9
174.99228	1.1
175.07483	1.1
177.05458	1.5
178.07693	0.8
179.07082	1.3
179.08589	0.6
180.09387	0.8
181.08586	31.2
181.10184	1.7
182.09297	2.3
183.10179	12.7
189.05557	1.5
190.06221	1.0
190.07829	1.4
191.07013	1.5
191.08583	2.7
194.07370	0.7
195.08098	1.2
195.10175	2.3
205.08621	2.1
207.10078	1.0
208.08807	1.5
209.09619	1.6
211.07521	2.6
218.07469	0.6
219.08017	2.7
219.10217	1.8
221.09596	1.8
222.06633	0.7
223.07478	1.7
223.11098	1.6
225.09099	2.4
226.09900	1.9
227.06935	0.8
227.10681	0.9
229.07393	1.1
236.08331	1.5
237.09106	6.1
238.09903	1.5
239.06995	2.8
240.07890	0.9
241.12225	0.8
247.07838	1.3
249.09175	1.0
251.10590	3.2
253.08575	3.5
254.09383	6.4
255.10040	2.6
264.07724	1.2
265.08591	6.6
266.09290	1.8
267.06400	1.8
267.09232	0.7
267.10156	0.6
269.11743	6.6
270.12454	1.0
271.09558	1.9
279.10159	1.3
280.11053	0.7
281.08102	1.8
282.08908	5.4
283.09552	4.3
285.10156	2.4
286.12024	0.8
296.10251	1.0
297.11197	14.7
298.11905	2.4
299.09085	7.6
301.14383	1.7
311.12692	2.4
313.10693	2.3
314.11374	4.7
329.10617	2.8
329.13800	73.8
330.14114	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	329.138
Annotation	Kadsurenin M
Peak:m/z	Relative Intensity
51.02369	0.8
56.96544	1.2
65.03921	1.1
67.05490	4.4
69.03413	1.2
70.07522	2.1
70.07911	1.6
72.08129	1.1
77.03891	1.0
79.05470	2.1
81.07037	1.5
83.01308	0.9
83.04951	0.9
91.05482	9.8
93.07027	1.3
95.04956	4.2
95.08622	1.1
98.20766	1.3
98.98461	51.0
101.91068	0.9
103.05467	18.8
105.03334	2.5
105.06999	2.4
107.04913	1.7
107.08561	1.7
109.06506	1.3
109.10139	1.3
115.05445	4.4
116.99493	1.1
119.04920	4.3
121.02845	1.3
121.06466	2.2
123.04421	56.1
123.08047	2.3
129.03354	1.0
131.04930	15.5
133.06488	2.7
135.04396	3.8
135.07977	1.2
137.02348	1.3
137.05971	11.9
137.09592	1.5
138.06729	2.3
139.07504	1.6
143.04924	4.3
147.04399	100.0
148.04707	1.3
149.05981	4.2
151.07533	4.9
153.05443	1.2
153.09084	2.6
161.06001	14.1
163.03845	1.0
165.06970	1.4
165.09090	3.0
166.06198	1.0
166.09856	1.6
167.06999	1.5
168.07762	3.2
169.08595	2.3
173.06029	1.0
174.99219	4.2
175.07555	2.1
176.98918	2.3
177.05486	1.4
181.08588	30.3
181.10188	2.0
182.09065	1.5
183.10184	10.2
184.15643	0.9
185.05992	0.9
189.05455	2.0
190.07664	1.1
191.07028	1.0
191.08516	3.2
193.08551	1.0
193.10240	0.9
195.10117	1.9
205.08565	1.9
207.08112	1.0
207.10016	1.3
208.08849	1.1
209.07925	4.0
209.09642	2.2
211.07520	2.4
219.07986	2.7
219.10077	1.7
221.06175	0.8
223.11101	1.4
225.09077	1.7
226.09764	1.2
229.07481	1.2
236.08192	1.8
237.09125	7.1
238.09883	2.9
239.06995	2.4
239.10796	1.8
240.07703	1.5
241.12231	1.0
243.06384	1.2
251.10635	3.5
253.08528	2.7
254.09349	6.4
255.10085	3.4
258.05551	0.9
265.08621	4.3
267.06543	1.6
267.09134	1.2
268.10931	1.2
269.11703	5.3
270.12424	1.1
271.09589	2.1
281.08078	2.4
282.08844	5.5
283.09750	5.4
285.10071	2.7
286.11780	1.3
296.10327	1.0
297.11209	14.9
298.11929	4.2
299.09052	6.3
311.12585	2.8
313.07031	2.7
313.10614	2.1
314.07794	4.4
314.11481	4.0
329.10184	9.6
329.13770	76.5
330.14023	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	329.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.2
53.68895	0.2
55.01854	0.3
56.96559	0.6
57.03437	0.2
63.67205	0.2
65.03609	0.2
65.03938	3.1
67.05489	0.6
70.84715	0.4
70.85079	0.5
71.01334	0.3
85.02863	0.2
91.03951	0.2
91.05472	0.5
91.95155	0.2
93.07044	0.2
95.08657	0.2
97.02884	0.4
98.98457	15.6
103.05444	0.2
105.06976	0.3
107.04939	0.2
109.10117	0.5
111.04435	4.2
116.99493	0.7
119.04951	0.4
121.02859	100.0
121.06409	1.7
121.10182	0.2
122.02456	0.2
122.03175	1.1
137.05911	0.2
140.01048	0.3
147.04347	0.3
152.04060	0.2
153.05431	0.3
168.94725	0.2
173.11761	0.2
174.99213	1.0
176.98949	0.6
209.08072	3.9
209.11523	0.3
229.07472	0.4
247.08405	0.4
256.68063	0.2
257.96536	0.2
265.65317	0.2
281.08029	0.4
285.10095	0.6
286.08365	0.4
311.12769	0.6
314.07758	0.5
329.10254	1.2
329.13992	0.6
329.20987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.138
Annotation	2-Hydroxy-7,8-dehydrograndiflorone
Peak:m/z	Relative Intensity
53.03927	1.5
55.01861	1.5
62.36982	0.9
62.58108	0.8
65.03926	1.6
67.05486	4.0
69.07092	0.9
69.71664	7.6
73.90472	1.0
79.05470	3.0
81.07053	1.4
83.01329	2.3
84.08142	9.2
85.02893	1.4
91.05474	5.9
92.65473	0.9
93.07037	3.4
95.04951	5.2
95.08589	1.6
97.06536	2.0
98.12019	0.9
98.98460	87.3
100.98897	1.2
103.05470	7.0
105.07037	6.8
107.04955	9.5
107.08601	1.1
109.06544	1.2
111.04420	1.2
114.53221	0.9
115.05486	1.5
116.97167	1.0
116.99522	5.2
119.04910	2.7
121.02867	18.7
121.06494	6.7
123.04446	8.6
123.08054	1.8
125.05982	2.5
131.04921	100.0
133.06488	9.4
135.04378	1.5
135.08057	3.1
137.05968	5.9
138.06696	1.4
139.07585	1.3
145.54289	1.0
147.04402	13.1
147.08034	1.9
149.05974	3.5
151.03893	3.0
151.07512	2.2
153.05461	4.4
153.06575	0.9
153.09140	3.0
154.06236	6.0
157.96628	0.9
160.05135	1.7
161.06000	3.1
165.05493	1.1
165.06952	1.9
166.06291	3.4
166.07689	1.3
167.06960	2.4
169.08626	5.3
174.99217	7.2
175.07541	2.8
176.98972	3.8
179.07011	2.2
181.04976	2.0
181.06438	1.4
181.08606	3.2
183.06509	2.6
183.08034	2.3
183.10123	1.6
194.05765	1.9
194.07317	3.9
195.08035	2.4
197.08072	13.1
197.09741	1.6
198.08839	4.6
203.07083	1.5
208.08859	1.0
209.04404	3.4
209.08057	76.8
209.09547	4.2
210.08469	1.7
211.07550	4.4
217.07448	1.1
219.10320	1.3
221.30740	1.1
222.06775	1.1
225.09148	1.4
226.09857	3.3
237.09053	4.5
238.09837	1.7
239.06952	2.1
241.12236	9.6
254.09360	4.4
265.08676	1.3
269.11728	10.1
282.08984	1.4
285.10223	1.5
297.11191	7.1
329.10092	2.3
329.13788	22.4
329.20999	2.7
329.27826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.138
Annotation	2-Hydroxy-7,8-dehydrograndiflorone
Peak:m/z	Relative Intensity
53.03922	0.1
63.42384	0.1
65.03937	0.2
67.05502	0.9
70.16421	0.6
73.05981	0.1
79.05487	0.8
81.07051	0.8
83.01336	0.9
91.05481	1.7
92.06230	0.2
92.54658	0.1
93.07041	1.3
95.04957	1.0
95.08591	0.8
97.06499	0.3
98.97855	0.2
98.98458	3.5
105.07008	0.3
107.04951	1.0
108.05677	0.2
108.34917	0.1
109.06501	0.6
110.07285	0.3
111.04362	0.2
111.08035	0.2
119.04942	1.2
120.05722	0.4
121.02882	0.3
121.06509	1.2
121.71720	0.1
123.03551	0.2
123.04420	3.2
123.08079	1.1
124.05206	0.2
125.05976	1.9
132.15204	0.1
135.04370	0.4
135.08044	0.2
136.05203	0.8
137.05960	1.4
138.06766	1.9
139.07568	0.7
147.04417	1.9
148.05153	0.6
149.05919	0.5
151.03931	1.0
151.07521	1.2
153.05455	7.5
153.09058	0.5
164.04649	0.7
165.05469	1.2
166.04909	0.3
166.06238	3.4
166.79939	0.2
167.07077	0.2
170.31082	0.1
174.99257	0.2
176.04649	0.3
176.98796	0.2
177.05466	0.8
179.03357	0.5
179.07014	2.6
180.04196	0.2
180.07323	0.2
181.04930	3.0
181.08560	0.4
193.04935	0.6
194.05743	4.6
195.06509	0.7
209.08075	100.0
210.08406	2.1
212.06795	1.9
252.99445	0.2
313.07211	0.2
314.07782	0.3
314.11301	0.1
329.10721	0.8
329.13800	20.0
330.14130	0.7
350.85852	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	329.138
Annotation	2-Hydroxy-7,8-dehydrograndiflorone
Peak:m/z	Relative Intensity
53.03905	0.2
54.68481	0.2
55.01871	0.2
59.57687	0.2
65.03905	0.3
67.05479	0.7
69.03392	0.2
69.37367	0.5
69.37792	1.4
76.70337	0.2
79.05490	0.9
81.07041	0.6
83.01341	0.9
91.05479	1.6
93.07009	0.9
95.04925	0.9
95.08593	0.9
97.06488	0.3
98.98459	4.5
105.07013	0.5
107.04926	1.4
108.05726	0.3
109.06503	0.9
110.07309	0.2
111.04463	0.2
111.08134	0.3
119.04949	1.2
120.05709	0.4
121.00558	0.3
121.02825	0.3
121.06485	1.1
123.04419	3.4
123.08027	1.0
124.05125	0.2
125.05997	1.5
133.06427	0.2
135.04420	0.5
136.05157	0.7
137.05960	1.9
138.06752	2.1
139.07515	0.5
147.04395	1.9
148.05159	0.7
149.05966	0.5
151.03874	1.2
151.07518	1.2
153.05461	7.2
153.09067	0.4
164.04668	0.6
165.05431	1.4
166.06232	3.8
174.99222	0.4
176.04689	0.5
177.00269	0.3
177.05450	0.8
177.50409	0.2
179.03357	0.6
179.07054	2.5
181.04956	3.1
181.08607	0.5
193.04900	0.5
194.05731	3.9
195.06473	0.8
199.01506	0.2
209.08075	100.0
210.08414	2.5
212.06789	2.1
314.07816	0.3
314.11398	0.2
329.13809	11.5
330.14124	0.3
341.33118	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
53.27913	0.8
55.01863	1.4
55.05496	2.0
56.96564	9.4
57.03446	1.8
61.02926	4.8
65.03929	1.4
67.05498	13.5
69.03423	3.4
69.07055	2.2
70.06575	1.5
71.04982	1.8
71.50255	0.9
71.59676	1.6
73.02908	2.7
78.36916	0.8
79.01834	1.3
79.05494	3.4
80.05910	0.9
81.03416	4.2
81.07063	4.4
83.08606	2.8
85.02893	6.4
85.06553	1.4
88.07592	1.3
90.33515	0.9
91.03954	2.2
91.05468	7.5
93.07042	3.5
95.04960	16.2
95.08598	3.0
97.02892	3.8
98.98461	100.0
100.98873	1.0
101.02379	1.1
103.05462	1.6
105.07001	4.8
107.04952	28.1
107.08559	2.3
109.10165	10.4
116.98698	1.8
116.99514	5.2
119.04940	26.7
119.08553	3.2
121.02893	3.4
121.06499	3.1
121.10149	2.0
123.03551	1.9
123.04422	30.5
125.02372	1.0
127.03895	1.6
131.04961	1.6
131.08560	1.9
133.06488	3.4
134.99646	1.3
135.08011	3.4
136.05186	1.7
137.05991	1.8
137.09584	1.7
139.07529	1.1
147.04390	6.4
147.08070	2.6
147.11693	1.3
149.09564	1.3
151.07535	2.2
153.01793	7.5
153.09122	3.3
155.07011	3.6
157.06454	1.2
161.06004	1.6
165.06924	1.2
165.09135	2.6
166.06296	1.1
167.06946	1.0
173.11687	4.5
174.99226	8.1
175.07571	1.4
176.08342	2.9
176.98923	2.8
177.00571	1.6
177.05496	2.5
177.54388	1.1
179.10672	1.3
181.08607	6.9
182.09325	1.1
192.07782	1.7
193.12256	1.8
195.08203	1.4
195.10152	3.5
203.05956	2.8
207.10136	7.3
208.08794	1.0
209.07924	1.9
209.09677	2.6
211.07529	2.5
211.13264	2.1
217.07449	1.6
226.09866	2.2
229.07425	10.0
229.14339	5.3
235.09691	1.6
237.09093	1.4
239.06906	1.2
241.12321	5.6
243.08728	4.5
243.59026	1.4
247.08556	9.1
248.09006	1.0
248.11630	1.6
248.62045	1.1
252.09241	1.5
253.08752	1.9
254.09389	2.3
267.08984	12.5
267.24292	3.4
268.11118	1.4
269.08096	18.3
269.11713	3.3
270.12534	1.8
283.13342	3.6
284.10437	21.8
285.10077	29.2
286.10178	1.4
299.12662	3.7
301.14359	22.1
303.11139	2.3
308.11685	2.2
314.07724	1.8
329.06564	1.2
329.10068	3.1
329.13879	7.1
329.21097	3.1
329.28009	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	329.1017
Annotation	8-Hydroxy-5,6,7-trimethoxyflavone
Peak:m/z	Relative Intensity
56.96532	0.2
58.06572	0.2
67.05477	0.4
69.03401	0.2
69.32307	1.5
79.05485	0.3
81.07039	0.1
83.01315	0.2
91.05444	0.3
94.04148	0.2
95.04931	0.5
97.02850	0.2
98.98461	7.9
103.05434	0.3
106.04141	0.2
107.04956	0.8
109.06562	0.2
109.10109	0.2
116.99493	0.4
119.04825	0.2
121.01986	0.3
121.02858	5.5
121.06483	0.2
122.03609	0.5
123.04404	0.4
123.08039	0.2
131.04886	0.4
134.03616	0.2
136.05182	0.9
142.10106	0.1
147.04384	1.9
151.03860	0.6
152.04718	0.3
164.04677	0.3
165.05466	1.0
167.03339	0.3
174.99200	0.5
175.07585	0.2
176.98904	0.3
179.03372	0.6
181.04924	0.5
185.09824	0.1
189.05492	0.2
192.04137	0.8
193.04924	0.5
195.06563	0.4
195.10040	0.2
197.04373	0.3
197.06017	0.4
202.06296	0.2
205.08766	0.2
207.06409	0.2
211.07553	0.3
212.08296	0.8
215.03395	0.5
219.10149	1.2
225.05339	0.3
227.06967	0.2
229.05058	0.2
238.04727	0.4
240.07777	0.9
241.08556	1.4
243.06483	1.6
257.08032	1.9
267.06488	0.5
267.09000	0.2
268.07236	0.8
269.08115	0.6
271.06003	4.8
285.07510	1.9
285.10248	0.3
286.08334	5.8
287.08426	0.2
295.06042	0.1
296.06754	0.2
297.07462	1.2
299.05576	0.9
313.07037	17.1
314.07813	38.4
315.08145	0.8
329.10165	100.0
330.10513	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	327.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91251	1.5
55.05507	10.5
57.07064	8.0
67.05486	12.0
69.03426	2.6
69.07065	25.8
70.51262	5.2
71.04993	5.1
71.08627	2.1
79.05489	6.9
81.07052	50.9
81.07520	3.3
83.04950	1.8
83.08633	8.0
85.06536	7.9
91.05466	5.1
93.07039	16.2
95.04955	2.0
95.08603	33.4
97.06538	2.4
97.10168	4.2
98.21366	2.0
98.98460	100.0
99.08094	6.1
103.05423	1.8
105.07023	7.4
107.08584	13.9
109.10141	18.5
111.08065	12.1
111.11673	4.2
116.99503	6.0
119.04947	1.5
119.08573	2.2
121.10143	7.0
123.08051	2.1
123.11708	14.3
125.13236	2.8
133.10092	1.8
135.11690	6.0
137.05980	5.3
137.13286	8.1
147.04427	3.5
147.11720	4.6
149.13239	7.2
153.12735	3.5
154.69157	1.7
155.14336	3.2
158.96213	1.9
161.13235	2.4
163.14810	2.8
165.12767	3.0
174.99236	11.6
177.05449	2.9
177.16345	2.3
183.13853	2.8
207.06401	10.1
246.09291	4.4
277.08478	2.4
285.10159	1.9
291.26624	3.3
295.09537	3.2
309.11398	2.3
309.28052	2.3
327.05002	3.0
327.08636	4.1
327.12244	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	327.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	12.6
56.96567	1.7
57.03432	2.2
57.07071	4.2
61.02909	1.1
61.71566	1.0
65.03916	1.3
67.05501	16.7
69.06720	1.5
69.07068	20.9
71.04983	2.0
74.11855	1.1
77.77390	0.9
79.05490	10.4
81.03402	1.4
81.06570	2.0
81.07050	33.9
83.04953	1.4
83.08606	11.0
85.06546	2.8
91.05474	4.9
92.69115	1.0
92.69730	1.2
93.07034	12.5
95.04961	4.4
95.08600	30.1
97.06531	2.8
97.10155	7.0
98.20707	1.8
98.98460	100.0
105.07012	4.6
107.04945	1.7
107.08578	9.6
109.06491	2.0
109.10152	18.9
111.08076	3.5
111.11713	4.0
116.99480	4.8
119.08565	3.6
121.02853	4.1
121.10129	8.3
123.04381	1.4
123.11696	8.5
125.09615	1.2
131.04944	1.4
133.10132	3.4
135.04398	1.9
135.11684	6.6
137.02415	1.1
137.05992	5.5
137.09598	2.1
137.13229	3.7
145.10172	1.2
147.11696	3.2
149.13277	7.7
151.03854	1.1
151.14812	1.8
152.06187	1.0
155.10710	1.4
157.41095	1.0
161.06053	1.5
163.03902	1.8
163.14816	3.6
165.12669	1.5
174.99239	9.8
177.05533	1.1
179.03438	1.5
186.61983	1.0
189.16418	1.3
190.08728	1.5
190.95384	2.1
191.17957	1.3
193.73318	0.9
203.18054	1.1
211.07538	1.0
217.19540	1.7
227.91690	1.1
232.37465	1.1
232.96431	1.3
234.06796	2.3
235.07484	2.2
245.06882	1.5
249.09180	1.8
250.97604	1.2
251.00034	1.6
253.08792	1.4
263.64438	1.0
273.25760	1.6
277.08545	2.9
279.26468	2.3
281.07901	1.1
291.26779	3.1
295.09570	1.1
297.07605	2.4
299.09106	1.9
299.12494	1.3
309.07529	2.0
309.28076	2.1
310.08356	4.8
313.07053	21.5
327.04996	2.3
327.08527	8.5
327.12289	7.6
327.25330	6.7
328.09378	18.0
328.12561	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01855	3.4
55.05510	52.1
57.03184	1.6
57.03435	21.3
57.06815	1.0
57.07072	8.3
63.82042	1.2
65.03919	3.5
67.05503	67.5
69.03413	2.3
69.07066	60.8
70.80048	2.5
70.80414	2.0
71.04996	9.5
71.08621	2.2
75.09635	1.2
77.03951	1.1
79.05056	1.7
79.05490	25.0
81.07056	77.8
81.45609	1.2
83.04973	3.3
83.08140	2.6
83.08617	40.1
85.06529	5.5
91.05476	16.0
93.07045	27.0
95.04962	4.2
95.08603	70.0
96.08857	1.3
97.06538	9.2
97.10169	20.8
98.98462	100.0
99.08072	4.0
101.06055	1.2
103.05443	1.0
105.03387	1.3
105.07028	12.1
107.04957	2.9
107.08598	17.8
109.06499	2.0
109.09460	2.3
109.10159	29.5
111.08060	5.8
111.11726	8.9
113.09615	2.2
115.05437	1.2
116.99500	5.4
117.06962	1.8
119.04939	1.7
119.08579	11.0
121.02860	2.2
121.10143	21.1
123.04417	1.5
123.08134	2.0
123.11714	13.4
125.09633	1.9
125.13258	1.3
127.07541	1.4
131.04903	1.9
133.10143	12.7
135.11691	20.1
136.76874	1.0
137.05965	9.1
137.09584	4.0
137.13232	3.6
139.11171	2.9
147.04393	4.0
147.11664	7.9
149.13254	5.9
151.03868	2.7
151.11110	2.6
151.14825	2.5
153.01790	3.3
153.12761	3.3
161.05913	1.1
161.13229	6.0
163.03847	1.5
165.12724	2.5
174.99239	11.4
175.03922	6.4
175.14775	4.4
179.08498	1.7
179.14264	1.7
184.37679	1.1
190.08656	1.8
190.95383	1.2
203.06815	1.3
207.08203	1.6
217.19551	6.1
223.07442	1.6
224.08446	1.9
234.06485	1.7
235.07515	2.6
235.20612	11.4
239.10794	1.4
240.07654	1.6
241.08234	1.6
249.09137	1.6
250.97585	2.0
251.00006	2.3
252.07909	1.7
253.21599	2.2
266.09644	1.2
267.10059	2.1
269.07999	1.9
277.08597	3.5
281.11993	1.3
283.09747	2.3
284.10382	1.9
295.09662	3.1
297.11267	2.0
299.12827	1.7
309.11111	3.2
309.24194	4.7
309.40762	1.3
312.09940	2.8
327.05084	1.6
327.08466	6.1
327.12225	15.2
327.25262	66.0
328.08731	1.4
328.12326	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
53.95116	2.3
55.05511	10.1
55.39180	1.8
57.07058	5.9
65.03904	2.3
66.99236	1.9
67.05499	26.6
69.07061	14.7
71.04992	3.2
71.37001	4.4
79.05495	17.9
81.03417	3.1
81.07059	26.0
83.04959	2.1
83.08611	4.2
85.06544	4.9
85.78146	1.9
91.05481	28.9
93.06461	3.9
93.07043	57.5
95.04965	59.5
95.08119	1.1
95.08598	49.8
97.06536	12.4
98.98461	100.0
103.05482	2.8
105.07026	50.1
107.08588	28.4
109.06503	8.5
109.10166	17.4
115.05441	3.8
116.36607	2.3
116.99503	7.9
117.07007	13.2
119.08576	54.7
121.06481	14.5
121.10140	23.1
123.08055	7.9
123.11720	7.0
128.06241	2.5
129.06987	7.0
130.07762	3.8
131.08569	22.2
133.10133	32.6
135.08032	8.8
135.11697	9.1
137.09598	4.3
142.07776	7.6
143.08559	14.2
144.09314	5.0
145.10127	35.9
147.08087	3.7
147.11700	10.7
152.06250	3.1
153.06993	3.3
155.08572	7.3
156.09335	7.7
157.10127	28.2
158.10910	3.5
159.08029	3.2
159.11700	26.3
161.09581	13.1
161.13243	3.4
163.14742	2.9
165.06982	3.0
167.37526	2.1
168.09311	2.6
169.10080	11.6
170.10953	3.7
171.11687	12.6
173.09688	2.3
173.13290	15.3
174.99194	9.9
175.14809	12.8
179.08513	3.4
181.10091	4.8
183.11719	10.8
185.13283	7.6
187.11098	4.3
187.14818	8.2
189.12762	2.7
189.16357	2.9
193.10184	4.8
194.10876	3.6
195.11700	6.2
197.13258	8.6
199.14822	9.1
201.16351	3.9
209.13239	4.5
210.13933	3.2
211.14824	7.0
213.16406	3.3
217.15822	3.9
220.12418	2.2
223.14799	3.8
223.60501	2.1
225.16374	3.4
227.14436	3.7
232.96519	2.9
233.03487	2.3
235.14754	3.6
250.17059	2.6
253.15938	2.3
309.22083	6.7
327.07855	8.2
327.23087	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	327.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	3.0
53.03933	7.5
55.01863	5.8
55.05503	15.2
57.03426	6.5
57.07067	11.2
57.29728	2.7
59.04988	2.5
64.59253	2.5
65.03915	4.0
66.19567	3.0
66.92365	2.7
67.05495	39.2
69.07062	22.1
71.04939	5.3
71.05270	6.6
72.08156	5.5
79.05492	33.3
81.03410	6.0
81.07059	34.6
83.08597	7.4
85.06516	6.8
88.95013	2.5
91.05473	54.2
93.07032	89.0
95.04960	100.0
95.08596	67.5
97.06522	18.5
98.97849	5.8
98.98460	83.1
103.05461	2.9
105.07022	78.2
107.08589	48.7
109.06541	15.3
109.07157	2.9
109.10152	35.5
115.05441	3.9
117.07016	22.6
119.08575	79.6
121.06499	16.4
121.10139	40.0
123.08085	18.5
123.11687	11.9
128.06198	10.5
129.06973	13.5
130.07765	8.5
131.08543	32.9
133.10118	56.5
135.08012	13.1
135.11647	13.9
137.09619	4.0
139.11159	4.2
139.58582	3.3
141.06941	6.2
142.07706	16.3
143.08546	23.7
144.09375	6.4
145.10107	56.4
147.07973	5.2
147.11630	18.1
149.09557	5.4
149.13268	3.9
153.06935	8.2
154.07794	3.4
155.08562	10.0
156.09317	14.2
157.10120	38.6
158.10881	5.3
159.08052	8.6
159.11679	48.5
161.09622	12.8
161.13226	6.1
163.14774	3.2
167.08482	3.6
169.10135	18.5
171.11674	20.2
172.12331	2.9
173.09619	4.8
173.13293	23.5
174.99232	8.5
175.14851	22.7
179.08556	8.5
181.10036	4.5
183.11749	7.2
185.13231	10.0
187.11197	7.6
187.14799	13.9
189.12729	4.0
189.16379	5.3
193.10139	4.4
194.10890	4.9
195.11641	8.0
196.12453	7.4
197.13278	17.4
199.11069	3.3
199.14806	13.6
201.16417	4.9
205.15868	3.4
207.11688	3.8
209.13222	13.1
211.14822	10.5
213.16441	6.7
215.14244	3.0
217.15810	7.9
221.13229	4.5
227.14294	3.2
229.07390	4.9
229.15959	3.3
233.03574	4.2
235.14783	4.7
251.04659	3.4
253.15862	5.5
291.20966	3.4
309.22083	12.2
310.31146	4.9
327.07877	17.8
327.23169	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	327.1582
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
52.08989	0.4
53.03954	0.7
55.01876	1.6
55.05510	0.4
59.42904	0.4
65.03944	0.8
66.04710	0.5
67.05511	0.6
70.06599	0.5
70.89323	1.1
72.08176	1.1
79.05486	3.3
81.03424	0.9
81.07050	2.1
85.02905	0.5
91.05480	6.3
91.06010	0.6
93.03416	0.6
93.07050	0.7
94.04184	2.6
95.04956	2.4
95.08630	0.9
97.06498	0.8
98.98466	42.7
103.05465	20.7
103.30018	0.4
105.07031	9.8
107.04943	4.2
107.08576	0.5
108.05736	0.5
109.06502	3.0
109.10153	0.5
115.05458	2.3
116.99516	2.3
117.07024	2.8
119.04942	2.4
119.08585	0.7
120.05718	0.7
120.78260	0.5
121.02843	0.6
121.06503	6.9
122.03664	7.5
123.04453	3.1
123.08071	0.9
125.06038	0.4
128.06252	0.9
129.06996	1.0
131.04930	22.3
133.06490	32.6
135.08058	11.0
135.09105	0.5
136.05246	0.9
137.05975	100.0
137.43130	0.4
138.06297	1.6
141.07021	0.4
143.04942	1.8
143.08566	1.0
145.06493	7.3
145.10133	0.5
147.04405	5.1
147.08023	2.5
148.05202	0.5
149.06012	1.9
151.03877	1.1
151.07539	12.2
153.01817	0.8
155.06113	0.4
157.06487	3.2
159.04399	0.6
160.05197	0.5
161.05914	0.7
162.06770	0.6
163.03885	1.5
163.07541	55.1
164.07907	0.7
165.01851	0.5
165.07010	0.5
169.06535	0.5
171.08075	1.6
174.99225	5.0
175.03908	12.3
175.07576	2.9
176.04585	0.9
177.05455	1.5
177.09099	1.7
181.06366	0.4
187.07559	1.7
189.05424	1.0
189.07079	0.4
189.09103	2.1
190.15297	0.4
195.06477	0.5
197.06035	0.7
201.05344	0.4
203.10660	1.7
205.04953	2.5
207.06500	6.0
207.08098	0.6
207.11603	0.5
217.04959	0.5
217.10240	0.8
219.08138	0.5
220.08856	1.4
234.06912	0.5
235.07494	0.9
235.11160	2.1
237.05504	0.7
237.09090	0.4
245.09627	1.6
248.08403	0.6
249.09129	0.7
250.99820	0.6
253.04892	0.9
263.10712	4.6
263.83884	0.4
265.08533	0.7
266.09433	0.6
267.10199	0.8
271.05963	0.5
277.08682	0.8
282.17126	0.4
283.17282	0.9
287.05283	0.9
295.10016	0.7
295.13223	9.7
296.13550	0.5
299.05426	0.8
303.05069	0.7
311.05438	3.2
312.13382	0.5
327.04910	14.8
327.08527	8.6
327.12277	3.1
327.15900	6.7
327.19778	0.7
328.05026	0.9
328.08252	3.9
328.12418	0.8
345.04666	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1224
Annotation	2-METHYL-5,7,8-TRIMETHOXYISOFLAVONE
Peak:m/z	Relative Intensity
50.43513	0.3
52.78114	0.4
55.05496	0.5
56.96519	0.4
57.03387	0.4
61.02904	0.4
61.15353	0.3
63.16222	0.4
67.05481	0.9
69.07028	1.1
71.41518	0.6
81.07008	1.1
83.08585	0.6
91.05432	0.4
93.06999	0.7
95.08563	1.3
98.98463	26.4
105.07004	0.4
107.08525	0.5
109.10140	0.7
116.99476	1.5
117.36346	0.4
119.04941	1.0
121.02824	1.2
123.04405	0.8
147.04305	0.6
147.11636	0.4
151.03835	0.8
174.99228	3.8
175.03868	0.6
176.04784	0.4
179.03342	0.9
190.95291	0.7
208.96455	0.7
218.13303	0.4
232.96513	0.9
250.97476	1.0
265.08728	0.4
267.06439	1.4
269.08139	2.4
281.07999	3.3
282.08835	3.3
283.09634	5.0
293.08026	4.6
294.08820	16.8
295.09317	0.7
297.07556	94.8
298.07874	2.1
311.09155	7.6
312.09897	31.5
313.10181	0.7
314.07947	0.9
327.12250	100.0
328.12564	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	327.105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
65.03928	0.6
67.00931	0.4
67.05493	0.8
68.99788	1.5
70.92329	0.3
79.05475	0.6
81.03408	0.8
81.07050	1.3
91.05467	1.1
95.04969	1.1
95.08611	0.7
98.98457	35.8
103.05448	0.5
105.07024	0.6
107.04921	1.0
109.10119	0.6
111.00784	0.5
115.05437	0.5
116.99498	1.9
117.06999	0.5
119.04967	0.4
119.08566	0.4
121.02872	1.6
123.04408	1.6
129.06970	0.5
131.04941	0.6
133.02856	1.1
133.06500	0.5
134.39322	0.4
137.02324	3.4
137.05992	1.7
141.06995	1.3
145.06454	0.6
146.59004	0.4
147.04399	1.4
149.02339	0.8
149.05913	0.4
151.03856	0.5
152.06229	0.5
153.01805	2.2
153.06975	0.7
155.04929	0.5
159.04465	0.5
161.02382	1.1
161.05945	0.7
163.03915	1.4
167.03418	0.6
169.06488	1.2
171.04445	0.5
173.06001	0.7
174.99210	5.1
175.03845	1.8
175.07550	0.4
176.04671	0.7
177.01794	3.4
177.05484	1.1
178.07628	0.4
178.55281	0.5
181.01118	0.6
181.06506	1.0
183.04424	0.6
183.40094	0.3
184.05177	0.5
187.03935	0.9
189.01830	1.2
189.05403	0.5
195.06595	0.5
197.00545	0.9
197.05891	2.7
201.05457	0.7
203.03362	0.4
205.04941	0.7
207.06477	3.1
209.05974	0.9
212.02893	0.9
213.05295	0.6
215.03432	0.7
215.07155	0.4
225.05409	3.3
226.05873	0.6
229.04906	1.0
235.13303	0.7
237.05772	2.5
239.03418	1.1
241.14627	0.4
243.06459	0.6
251.00006	0.7
251.06898	0.4
253.04930	7.1
254.05324	1.3
255.06592	0.6
257.04523	0.5
265.04971	3.0
266.05835	0.6
267.08371	0.8
269.04523	0.6
270.05106	0.5
271.06006	1.3
277.08514	0.6
281.04358	2.8
282.04968	1.3
283.06000	1.3
283.20694	0.5
284.03162	1.0
285.03854	1.7
287.05383	0.5
293.04431	1.7
294.05215	0.7
298.04620	0.6
299.05356	4.2
300.05768	0.6
300.08792	0.7
309.03778	1.1
309.09351	9.6
311.05463	25.7
312.05029	0.5
326.06793	0.6
327.04984	100.0
327.10501	40.2
328.05051	3.9
328.08188	8.6
328.11218	0.3
328.12067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12357	3.2
56.96554	16.5
57.03414	10.6
61.02912	10.4
69.03428	18.6
70.06569	4.9
71.04996	3.7
73.02893	10.0
74.97589	3.6
79.90219	2.8
80.50523	2.5
81.03408	6.0
84.96009	3.9
85.02903	40.2
91.03860	2.5
97.02880	19.6
98.01325	2.8
98.97584	28.9
98.98413	15.2
99.04417	4.2
103.05376	2.7
104.04971	3.1
106.01661	3.0
107.04901	3.2
109.02885	6.0
110.97551	4.8
116.59280	3.6
116.98637	20.4
119.01839	11.9
123.04436	32.7
127.03909	19.7
128.02350	5.7
128.98575	9.7
129.01958	3.5
132.04489	6.7
134.99657	6.1
137.05972	3.5
145.04938	7.8
146.99654	10.2
147.04376	9.3
150.99089	5.7
151.06126	4.6
153.01820	16.8
158.99629	5.1
165.05540	4.0
174.98547	4.3
177.00650	6.0
181.01804	3.7
189.00670	6.3
192.03613	4.5
193.00212	6.4
197.01210	7.7
201.00691	6.2
201.04128	13.7
210.02893	3.4
216.02617	3.9
219.01741	5.8
225.00951	3.1
227.02318	6.8
229.54893	7.3
237.03319	19.6
241.05713	4.9
246.03909	31.6
253.00291	5.9
255.04048	3.3
269.05450	6.8
271.01147	14.5
285.02786	3.4
302.12582	3.2
313.02301	10.8
327.04770	100.0
327.08710	5.4
327.15442	3.9
329.01804	4.8
345.12991	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	326.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68817	1.8
53.03925	2.5
55.05512	12.1
56.05034	2.4
56.96560	9.5
57.03190	1.9
57.03431	13.1
57.07071	3.0
61.02912	5.7
65.03926	3.2
67.05503	69.3
68.05847	2.3
69.03423	5.9
69.07057	11.5
70.06582	2.4
71.04994	12.3
71.59641	2.6
72.08141	1.7
73.02911	6.6
79.05482	27.4
81.03421	3.6
81.07056	52.5
82.07370	4.3
83.04972	3.6
83.08615	4.3
84.04501	27.3
85.02891	4.8
85.06527	2.8
89.92147	1.8
91.03933	2.5
91.05479	17.6
93.07043	31.0
95.04977	13.3
95.08607	100.0
96.08953	1.8
97.02891	6.3
97.06573	2.4
98.98466	92.9
98.99112	4.5
102.05530	12.2
103.72225	1.7
105.07030	21.4
107.08621	12.9
109.06526	4.4
109.10155	49.2
113.09634	4.4
116.98627	7.3
116.99537	5.2
117.07018	3.6
119.08574	29.4
121.10147	7.5
122.10493	1.9
123.04386	2.3
123.08054	7.2
123.11652	2.0
130.04964	13.5
131.00153	4.1
131.08575	2.9
133.10106	5.3
134.99644	2.7
135.11673	10.5
137.06059	3.1
137.09639	10.9
145.02823	1.9
147.04405	6.2
148.04967	3.3
148.06049	31.7
149.01218	12.1
149.13213	3.7
151.14807	30.0
153.01910	2.1
156.03607	6.4
156.53761	3.5
158.99658	3.8
161.01283	2.0
161.13271	10.7
161.14381	2.0
167.02303	5.3
168.12753	1.7
170.99423	1.8
174.99184	10.1
177.00702	3.1
178.05850	2.0
179.14302	23.0
181.58258	2.4
207.06467	2.4
221.93626	1.9
244.09630	22.3
244.59796	54.2
245.09883	17.5
269.10611	5.5
270.10977	2.0
287.11676	4.1
308.26453	2.6
325.62482	17.4
326.12442	5.5
326.19635	27.7
326.27161	2.6
326.34186	3.3
327.04898	3.2
327.08432	3.4
327.12125	3.3
345.47141	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	326.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
54.07034	0.4
55.01838	0.8
55.05491	1.1
56.05023	0.6
56.96545	0.8
57.03416	1.3
63.06137	0.5
63.17961	0.4
67.05477	0.9
68.05002	1.5
69.03413	3.8
69.07050	1.0
69.82708	2.4
70.03738	1.1
70.06562	0.4
71.04987	1.0
77.42827	0.4
79.05493	2.5
80.04987	1.6
81.03410	5.0
81.07044	3.0
82.03724	1.6
82.06557	0.4
83.08595	0.6
84.04501	7.4
84.08136	0.5
85.02426	0.7
85.02897	9.9
87.04451	0.4
88.47163	0.4
91.05457	1.4
93.07043	6.0
94.01773	0.5
94.06559	1.1
95.04929	0.7
95.08582	1.3
96.04488	0.5
96.08085	0.7
98.02401	0.8
98.05983	0.5
98.97849	0.7
98.98460	11.8
99.04441	1.3
100.04777	0.5
102.05509	1.0
105.07017	1.1
107.08610	2.5
108.08110	21.9
108.08860	1.0
109.08889	1.2
109.10125	1.0
110.09635	1.5
114.05482	1.1
118.06490	0.9
119.06857	1.3
119.08559	0.8
120.08082	0.5
122.05988	0.5
122.09656	12.5
123.04379	1.3
123.10433	2.1
130.04988	0.6
131.03340	0.5
131.08504	0.7
133.10170	0.5
134.09659	0.7
135.11674	5.2
136.11205	3.8
137.05928	0.8
139.18768	0.4
141.06891	0.4
142.04994	0.5
145.07512	0.8
146.07927	1.3
147.09169	0.9
148.09477	1.5
148.11166	0.5
150.12766	27.2
151.03914	0.6
151.13565	9.2
152.14326	8.6
153.12721	0.6
158.45877	0.4
161.05984	0.5
161.13306	0.5
164.10666	0.5
166.12129	0.6
173.07065	1.1
174.07466	2.2
174.99210	1.4
176.09158	0.8
176.10667	0.5
182.11664	0.7
190.15875	1.0
191.08144	9.1
192.08493	18.0
193.08556	0.5
194.11696	0.4
195.16211	0.5
208.13374	2.0
210.07565	2.0
216.07265	0.9
222.88629	0.4
228.12248	0.8
234.09625	0.4
236.16444	1.5
238.10844	0.8
244.06767	0.4
252.12263	1.8
264.15845	0.8
280.15552	0.6
282.16977	100.0
283.17334	1.7
284.18524	2.9
295.57526	0.4
308.13165	9.3
326.14130	4.2
326.19586	65.1
327.19901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04688	0.6
55.05497	1.3
56.05022	1.0
67.05502	1.2
68.05004	1.1
69.07064	1.1
70.59024	1.4
72.08150	4.1
79.05476	3.1
80.05007	2.2
80.55978	0.6
81.03410	1.2
81.07028	2.6
84.04498	7.4
85.02895	11.6
91.05473	1.8
93.07037	5.9
94.06549	1.2
95.04939	3.1
95.07288	0.7
95.08575	1.2
96.04468	0.7
97.20043	0.5
98.02402	0.7
98.09724	0.6
98.98459	10.5
99.70716	0.6
102.05518	1.2
105.07005	1.2
107.04934	0.9
107.08595	2.8
108.08106	23.0
109.02856	0.6
109.08925	1.1
109.10131	0.7
110.06055	0.6
110.09665	1.7
111.04403	0.7
114.05502	2.3
119.08573	1.2
122.09660	12.6
123.04427	1.4
123.10405	1.8
130.04959	0.9
131.03397	1.4
131.74252	0.5
133.10091	0.9
134.05914	0.8
134.09633	1.3
135.11690	4.8
136.11153	3.7
137.05943	1.7
150.12769	26.4
151.03868	3.0
151.13562	9.2
152.14307	7.5
160.91423	0.6
164.10716	0.8
174.99261	1.1
190.15926	0.6
199.10416	0.5
208.13371	1.4
210.07567	2.5
228.08765	0.6
228.12372	0.7
236.16412	1.9
238.10739	1.1
240.12280	0.7
252.12250	2.0
253.13254	0.8
264.15970	0.6
270.12869	0.8
280.15414	1.0
282.16971	100.0
283.17307	1.8
284.18726	1.6
299.87332	0.6
326.19574	60.8
327.19818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2736
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03946	2.3
55.01874	2.7
55.05304	1.8
55.05513	21.9
56.96548	5.7
57.03424	2.7
57.07088	10.4
61.02914	3.1
61.17932	1.9
65.03923	2.2
67.05161	3.2
67.05497	39.4
68.54054	1.7
69.03413	5.3
69.07067	50.7
70.26723	2.1
71.04989	22.1
71.08625	3.6
71.59843	2.4
72.08144	1.8
79.05482	26.1
81.03403	7.1
81.07053	100.0
83.04967	5.9
83.08611	16.8
85.02913	2.8
85.06544	7.6
91.05466	14.8
91.18246	2.0
93.07041	47.9
95.04967	10.3
95.08603	81.4
97.06516	7.6
97.10162	7.5
98.97594	3.6
99.08089	7.5
105.07034	21.4
107.04948	4.2
107.08594	50.3
109.06543	4.0
109.10145	51.1
111.04417	2.1
111.08111	9.2
111.11694	5.9
116.98633	5.4
117.03379	3.1
117.06972	3.5
119.04994	2.9
119.08560	14.6
121.10130	32.1
123.08070	3.8
123.11695	34.3
125.09625	3.9
127.03846	2.1
127.11184	8.2
131.04912	5.5
131.08597	5.5
133.02844	3.8
133.10129	16.4
134.99646	2.9
135.04379	7.5
135.11688	27.3
137.05969	8.6
137.13271	14.3
138.86568	2.0
139.11150	7.5
141.12775	3.1
145.02861	3.6
145.10153	4.6
147.04396	7.0
147.11642	10.5
148.06049	2.4
149.01241	4.2
149.13263	28.1
151.14828	4.3
153.12686	5.3
156.03603	2.1
159.08066	3.6
159.11723	4.4
161.05988	3.7
161.13249	9.8
163.03903	25.9
163.14757	4.7
164.04266	2.4
165.12735	2.3
167.02187	2.7
167.14433	2.6
173.13252	2.9
175.07542	3.6
175.14799	3.8
177.00636	3.2
177.16385	4.6
187.14835	4.4
189.16371	4.6
191.17958	5.8
203.17973	6.3
215.17973	3.2
220.10326	2.3
233.05907	4.0
244.09619	17.8
244.59691	2.6
245.22395	2.5
259.24185	3.4
264.07877	2.0
265.08514	4.3
271.24274	4.7
277.25217	6.0
279.09964	2.1
289.25247	6.2
293.08267	2.1
295.26337	4.7
307.26276	17.4
325.07318	2.6
325.10846	8.0
325.16107	18.1
325.20258	3.0
325.21307	2.4
325.27304	9.8
326.16473	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	325.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.5
56.05021	1.1
56.96553	1.1
60.63613	0.7
67.05479	1.7
67.64075	0.7
68.05017	0.7
69.03409	2.2
69.07049	1.9
70.06570	0.8
70.94799	0.9
70.95132	1.6
71.04970	1.5
79.05482	3.3
80.05006	1.6
80.75439	0.6
81.03368	0.7
81.07048	3.1
82.06580	1.0
84.04503	12.0
84.08119	1.8
85.02899	17.8
86.06059	7.3
87.04451	1.2
90.94823	0.7
91.05473	8.7
93.07044	5.9
95.01306	1.4
95.04969	0.8
95.08607	1.2
95.22989	0.7
96.08108	1.8
98.06055	2.6
98.09664	1.2
98.97554	0.7
99.95110	0.7
102.05527	6.9
105.07009	1.3
107.04955	1.2
107.08569	2.8
108.08113	41.5
109.08883	1.0
110.09653	4.5
112.03953	1.4
114.05474	1.0
116.98598	1.1
119.04976	0.8
119.08562	0.8
121.10124	1.2
122.09660	4.7
123.04454	0.7
123.10440	1.3
123.11700	0.8
124.11164	1.2
130.04999	76.5
131.05042	0.8
133.02786	0.9
133.10126	1.0
134.09665	1.3
135.04431	1.2
135.11673	5.4
136.11205	1.7
137.05969	2.5
138.09140	0.8
145.06546	1.1
147.04416	2.1
150.12773	13.7
151.03850	1.0
151.13515	2.1
152.14333	100.0
153.01790	1.2
154.15875	5.1
163.03828	3.5
163.07535	1.4
173.05984	0.9
175.07553	1.9
176.98476	1.0
178.15968	3.6
187.07590	1.4
191.08199	1.8
193.08641	1.0
193.13412	0.8
196.16946	31.4
201.05489	1.5
205.06406	1.0
210.11540	0.7
215.06996	2.7
233.06033	1.2
233.07957	1.1
234.98921	1.0
235.18057	3.2
236.16414	1.5
243.06512	1.5
246.14897	0.8
261.07483	1.3
264.15945	12.7
265.08585	1.9
266.17462	1.7
279.08786	1.7
281.18588	80.6
282.18835	2.2
283.20139	2.2
287.05563	0.8
292.07303	0.8
293.08041	1.7
303.05023	3.2
305.05487	0.8
307.09558	2.2
307.20068	1.2
308.18665	4.5
325.03665	2.0
325.10236	3.3
325.14398	2.6
325.21204	81.4
326.21414	2.1
337.32471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26877	0.8
53.03924	1.3
55.05504	2.5
56.05024	1.2
56.96559	1.0
57.03426	3.1
61.02907	1.5
62.05524	0.7
65.03934	0.7
65.23771	0.9
67.05503	1.5
68.05007	1.1
69.03424	6.0
69.07056	2.2
70.06584	1.1
70.99400	1.0
70.99735	1.9
71.01362	1.4
71.04982	3.1
72.08154	0.9
73.02888	1.5
79.05477	2.4
79.26350	0.7
81.03392	1.9
81.07030	4.1
82.06567	1.1
84.04494	11.5
84.08126	2.6
85.02412	1.4
85.02895	15.0
86.06058	5.4
87.04447	0.8
89.03893	0.9
91.05473	2.6
93.07021	5.7
95.01310	1.9
95.04987	1.0
95.08573	2.2
96.08116	0.9
98.97588	1.0
99.04429	2.3
102.05525	7.1
105.07037	1.6
107.04936	1.6
107.08573	2.0
108.08111	40.8
108.08855	2.0
109.02869	1.1
109.06506	0.8
110.07154	1.0
110.09647	3.8
112.03941	1.7
117.03330	0.9
118.06490	1.0
121.10035	1.0
121.70693	0.8
122.09669	2.7
123.04421	0.9
123.10492	1.0
123.11666	0.9
128.38695	0.7
129.06993	0.9
130.04994	69.8
131.04948	1.1
131.08557	0.8
132.06938	1.1
134.09683	1.5
135.04373	4.0
135.11665	5.7
136.11195	1.0
137.05951	1.2
138.09134	1.5
141.06947	0.9
145.02800	1.8
145.06595	1.6
145.07602	4.9
147.04427	1.1
147.09157	56.5
148.09464	1.7
149.09523	0.8
150.12770	15.2
151.03854	1.8
151.13542	2.7
152.14326	87.8
153.01810	1.0
154.15886	5.0
157.06500	0.9
159.09167	1.7
163.03876	12.8
163.07523	3.6
164.04240	1.1
175.07541	5.9
178.15845	2.4
185.10739	0.9
187.07549	2.6
191.08147	60.6
192.08452	1.3
193.04883	1.6
193.08501	1.5
196.16951	24.0
215.07016	7.2
217.08614	1.3
233.08055	1.3
235.09624	1.1
235.18097	4.3
236.16447	1.2
243.06464	4.5
261.07538	1.9
263.13943	1.4
264.15942	13.8
266.17386	0.8
279.08643	3.8
281.14990	29.5
281.18579	100.0
282.15158	1.8
282.18796	1.5
283.20129	2.1
288.60968	0.9
307.12930	5.1
308.18552	3.0
322.23349	0.9
325.09384	5.4
325.13934	45.6
325.21179	56.4
325.24667	3.5
326.14359	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.6
55.01873	36.6
55.05511	40.4
57.03422	30.1
58.08632	5.4
62.38767	5.1
67.05502	91.7
69.03416	7.7
69.07064	34.9
69.57484	5.4
70.69267	13.7
70.69604	7.4
79.05490	81.0
81.03423	16.1
81.07052	100.0
83.04976	33.5
83.08621	19.0
85.06538	8.1
91.05478	72.2
93.07030	54.2
95.04955	73.6
95.08593	56.2
97.06536	11.0
97.10146	9.4
103.05463	5.4
105.07034	59.8
107.04938	93.7
107.08604	28.5
109.06535	41.5
109.10163	37.2
111.04446	8.0
111.08070	10.2
112.05239	8.1
113.06001	7.2
117.07010	28.0
119.08575	30.7
121.06493	23.5
121.10135	13.4
122.07281	24.8
123.04417	12.1
123.11794	7.0
128.06291	6.8
129.06981	20.1
131.08591	29.1
133.06462	26.3
133.10120	16.4
135.08047	19.9
135.11739	13.0
137.09610	37.1
143.08513	12.5
145.06429	7.0
145.10114	22.1
147.08063	37.3
149.09430	6.1
159.11668	12.4
161.09590	22.5
163.11165	14.9
165.09055	9.2
166.81628	5.8
169.10225	6.3
170.65485	5.5
171.11742	9.2
173.13260	15.4
175.11197	6.6
187.11150	9.9
187.14767	13.4
189.12720	8.7
197.13263	9.4
205.15845	10.4
215.14328	11.1
233.15347	78.3
246.31688	5.4
251.16541	13.0
290.18747	12.7
291.19791	6.3
325.23380	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1395
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
56.96550	0.9
57.03438	0.3
57.47129	0.2
57.56616	0.3
61.02916	0.4
69.03427	0.9
71.34200	0.7
73.02888	0.4
81.03397	0.5
85.02887	1.2
88.87227	0.3
91.05465	0.9
97.02890	0.8
98.97562	0.9
104.04973	0.4
115.77078	0.3
116.48486	0.3
116.98650	0.4
117.05743	0.4
118.06535	4.1
127.03915	0.8
133.07594	4.0
135.04401	0.4
137.05913	0.5
142.76741	0.3
145.07600	100.0
146.08420	2.6
147.09142	0.9
153.01866	0.6
163.08659	62.1
164.09042	0.5
200.17201	0.3
206.55882	0.8
221.04945	0.4
257.05103	0.3
325.13928	74.6
326.14191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.162
Annotation	Istamycin FU-10
Peak:m/z	Relative Intensity
67.05524	0.6
67.42000	0.5
69.07049	0.6
81.07049	1.3
93.07015	0.6
95.08617	1.0
101.03339	0.5
107.08554	0.7
109.10160	0.6
125.67875	0.6
137.67400	0.5
163.03926	0.9
173.06563	0.5
175.07706	0.5
187.08217	0.7
243.14453	0.5
250.06253	0.7
251.11353	1.5
269.12335	3.8
281.17267	3.8
287.13318	2.3
325.16226	100.0
326.16577	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	325.1392
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03947	1.9
55.01871	2.1
57.03436	2.7
61.02922	0.6
63.41284	0.4
65.27925	0.3
69.03426	15.0
69.18868	0.3
69.66142	2.5
71.01344	0.7
71.04635	0.5
71.04990	5.0
73.02911	0.9
75.04448	0.4
77.52848	0.3
80.29639	0.3
81.03415	16.3
83.86407	0.3
91.05467	1.1
93.07058	0.3
98.20773	0.6
98.42875	0.3
99.04453	6.2
106.15353	0.3
107.04965	0.4
108.08076	0.3
116.04999	0.6
117.05484	1.8
118.06528	4.9
120.08135	0.5
123.04367	0.4
133.32768	0.4
145.06583	0.3
145.07594	7.9
147.09154	8.2
150.12782	0.5
151.03893	0.5
162.07870	1.3
162.95593	0.3
163.03882	0.9
163.07446	0.7
163.08691	1.2
172.06245	0.4
173.07098	12.0
175.08691	6.2
187.07454	0.6
191.08145	100.0
192.08479	0.9
205.09827	0.7
208.10855	0.3
215.06975	1.0
215.11804	0.8
231.11261	0.5
233.09285	1.3
243.06552	0.6
243.10976	0.4
253.45110	0.3
253.91354	0.4
261.07492	0.6
271.10632	0.6
279.08597	0.5
282.17078	1.2
289.11783	2.0
304.67188	0.4
307.12860	31.5
308.13138	0.5
325.09253	1.1
325.13928	19.3
326.19638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1391
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03952	0.8
55.01858	0.7
57.03436	4.2
58.34920	0.4
61.02932	2.3
64.69670	0.4
68.94439	0.4
69.03429	9.0
70.84611	1.0
71.01353	1.1
71.05002	2.2
73.02913	1.2
75.04466	1.2
81.03407	1.2
81.67227	0.4
84.08137	0.7
85.02898	0.7
87.04478	0.6
91.05493	0.6
99.04439	1.8
107.64180	0.4
108.08122	0.6
117.05501	0.5
118.06525	1.5
130.05017	1.1
132.06827	1.3
132.25984	0.5
136.43423	0.4
145.07600	10.1
147.09166	87.8
148.09528	1.2
152.14360	1.8
159.09210	3.2
160.09941	1.1
163.03914	1.1
163.07452	0.5
173.07161	0.9
173.10764	0.5
187.12340	0.5
189.10216	0.7
191.08151	100.0
192.08478	1.3
195.05978	0.4
196.16966	0.8
199.12218	0.5
219.11473	0.5
221.96133	0.4
263.13889	2.2
281.14963	43.8
289.11847	1.0
292.46375	0.4
307.12921	8.0
325.13937	69.5
325.20840	1.6
325.21411	1.6
325.24783	2.0
326.14282	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11977	2.2
53.03926	3.2
55.01866	10.9
55.81712	2.2
56.96556	11.4
57.03435	14.4
61.02922	25.3
66.92007	2.0
67.05489	2.5
69.03070	3.5
69.03423	42.6
71.01335	3.1
71.04983	4.5
71.58820	3.3
73.02917	10.6
81.03415	14.0
83.89866	1.9
84.08147	6.5
84.96044	2.6
85.02896	100.0
87.04429	2.4
91.03940	2.3
95.04958	5.0
96.01554	2.2
97.02881	36.7
98.97567	5.0
99.04453	11.7
101.02378	4.7
107.04936	8.3
109.02866	15.8
113.02322	2.4
115.03938	4.4
116.98598	5.9
117.02036	3.5
117.09093	5.0
119.01823	4.8
119.72205	2.1
123.04385	3.2
123.72058	2.3
126.02555	5.2
127.03904	65.3
128.02263	4.5
134.99692	3.2
135.03091	5.2
135.04443	3.3
144.03592	2.9
145.04947	32.8
146.99588	3.2
147.02975	2.4
147.04422	2.5
149.01233	2.7
158.99731	2.5
160.63927	2.2
161.01222	3.7
163.03844	4.0
163.05994	2.8
168.01694	2.6
177.00633	2.0
213.03400	2.5
220.04170	5.7
229.04686	17.4
238.05243	4.3
269.05414	4.9
275.00101	2.7
287.06424	3.4
325.07468	3.3
325.13937	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	325.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41346	2.2
53.03932	4.1
55.01871	12.2
56.77435	2.4
56.96570	15.1
57.03441	18.1
61.02924	41.8
67.05488	2.8
69.03426	46.2
71.01355	3.1
71.04984	3.4
71.16396	3.5
71.16719	4.1
73.02909	8.2
81.03407	17.9
83.01281	2.5
83.04889	2.1
84.08164	2.7
85.02901	100.0
91.06422	2.2
94.18285	2.3
95.04945	4.8
95.08623	2.7
97.02895	31.4
98.97597	6.6
99.04439	5.8
100.35758	2.2
101.02353	5.8
107.04912	6.4
109.02859	15.6
115.03983	3.9
116.98590	4.6
117.02054	2.5
117.09113	3.8
119.01839	3.9
122.01216	2.5
123.51080	2.4
126.02551	6.6
127.03915	61.8
128.02325	5.0
130.08614	3.7
131.01744	2.4
132.59843	2.3
133.14725	2.9
134.99625	3.5
135.03093	7.4
135.04382	2.9
143.00102	3.2
145.04959	33.2
146.99571	3.5
152.04289	3.1
153.04100	3.4
158.99716	2.4
161.01160	2.7
162.99136	2.4
163.03923	7.1
163.05988	3.6
163.08627	3.2
177.00700	2.9
191.02135	3.7
193.00125	2.8
194.04491	2.6
208.04092	5.7
213.03305	3.2
219.01636	3.5
220.04204	5.5
229.04756	17.0
229.54855	3.8
235.06631	3.3
238.05278	5.1
251.04393	3.3
263.07306	2.6
269.05487	9.9
287.06509	5.1
325.07593	7.9
325.14105	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0915
Annotation	Skimmin
Peak:m/z	Relative Intensity
50.69800	0.3
53.03931	1.2
54.80736	0.3
55.01871	1.9
56.96543	0.5
57.03434	0.8
68.31452	0.3
69.03069	0.7
69.03424	9.1
69.48056	2.7
71.04991	2.1
73.02898	1.7
74.82257	0.3
79.05482	1.6
81.03415	6.2
81.03864	0.7
81.07032	0.4
84.04502	0.5
84.08134	0.4
85.02906	2.4
85.07655	1.4
86.09665	0.4
89.03908	5.0
91.05484	0.6
93.07022	0.5
95.04979	0.7
97.02885	5.1
98.97565	0.4
99.04453	8.7
101.02367	0.7
105.03472	0.3
107.04939	2.5
109.02873	6.4
117.03373	7.3
117.07054	0.3
121.01664	0.5
122.62406	0.4
123.04408	0.7
126.05458	0.5
127.03913	16.1
131.08537	0.4
133.97745	0.3
135.04410	18.8
137.06021	0.4
139.02725	0.5
139.03845	0.6
145.02846	12.8
145.03990	0.6
145.04953	1.4
145.06470	0.4
146.03163	0.4
147.04343	0.5
150.06744	0.6
151.03880	0.7
151.07568	0.4
153.01831	0.9
163.03897	100.0
164.04253	3.0
171.08112	0.3
177.05498	1.2
179.02242	0.3
181.04990	3.1
191.14668	0.3
193.08543	0.3
235.05919	0.6
251.09244	0.4
279.08603	0.6
307.08142	1.5
325.09143	4.5
325.12622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1956
Annotation	Carbazoquinocin E
Peak:m/z	Relative Intensity
53.03931	0.9
56.96556	0.4
69.56221	0.7
69.56626	1.8
79.05491	17.8
81.07035	0.4
83.05097	0.3
91.05478	0.7
93.07030	1.3
95.04964	1.3
98.20770	0.6
103.05466	36.4
104.05810	0.3
105.07035	2.5
107.04955	20.5
111.90501	0.3
118.06544	5.3
121.06493	1.5
131.04930	10.8
132.08072	2.2
133.08847	1.0
141.35666	0.3
146.09624	2.2
149.05994	0.5
160.11211	0.8
176.14343	44.5
177.14668	0.8
190.08542	0.3
233.14075	0.7
252.15944	0.5
266.11951	0.4
280.13123	0.4
292.22382	0.4
294.50171	0.4
317.79810	0.3
324.19562	100.0
324.61380	0.4
325.19904	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	325.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22031	0.9
56.96549	2.9
58.09861	0.9
59.27378	1.0
69.03428	2.0
69.07054	1.2
71.58862	1.3
73.02895	1.1
76.35304	1.0
81.03429	1.4
81.07052	1.2
85.02879	4.8
86.23107	1.0
91.05424	1.2
95.04971	1.4
97.02888	2.3
98.97565	1.1
105.03317	1.0
107.04939	3.3
116.98632	1.5
123.04461	1.3
127.03958	2.2
134.99667	1.3
135.04395	2.1
145.02794	2.0
145.04967	1.5
145.07571	1.8
147.04425	2.0
148.34906	1.1
150.96884	2.8
151.03902	1.8
162.02890	1.4
163.03894	12.1
163.08630	1.9
178.97807	1.2
185.04250	1.4
191.03304	1.6
203.08220	1.3
220.99039	2.3
239.00063	1.8
242.03378	1.2
245.36853	1.1
249.02756	1.3
279.08734	1.1
307.99805	1.5
325.08951	100.0
325.13583	3.6
326.09012	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	324.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01861	6.0
56.96556	3.2
65.03934	3.6
67.05508	34.2
69.03411	3.6
71.58968	2.3
74.00634	2.1
76.61675	1.9
79.05500	13.7
80.05011	2.0
81.03418	4.8
81.07029	2.1
83.19261	1.7
84.04488	7.8
85.02882	3.7
92.01704	3.1
94.06554	3.6
95.01331	6.5
95.04970	77.4
97.02908	3.6
97.16037	1.9
104.04989	5.7
105.03371	7.3
107.04951	7.3
120.04498	2.1
120.08061	2.6
122.06024	10.2
123.04442	33.1
130.04980	8.6
131.04567	2.2
132.04439	9.3
133.02832	6.9
143.04349	1.9
150.05501	27.6
151.03899	67.9
153.01840	2.8
162.05530	10.2
170.14038	1.9
177.03259	15.3
217.00317	2.9
222.02124	2.1
234.07680	9.1
235.01257	2.4
262.07144	19.0
306.06088	4.7
324.07141	100.0
325.07611	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
55.01862	12.9
55.05508	38.8
57.03425	10.7
57.07053	8.1
61.37670	8.1
67.05503	87.2
69.03429	7.2
69.07053	30.8
71.59663	7.9
79.05491	68.2
81.03406	10.2
81.07054	100.0
83.04971	29.7
83.08614	14.3
85.06541	13.7
91.05476	54.6
93.07040	55.1
95.04974	15.8
95.08057	7.7
95.08589	31.8
97.06503	16.7
105.07034	62.6
107.04970	14.5
107.08603	59.8
108.72073	6.7
109.06503	13.4
109.10144	70.2
111.04411	12.6
111.08086	19.7
119.08550	26.3
121.06519	22.4
121.10111	17.6
123.08067	9.5
123.11684	21.4
131.08565	20.3
133.06485	18.2
133.10118	83.7
135.07974	8.3
137.09607	11.0
139.07533	15.6
143.08560	7.0
145.10068	14.0
147.08063	13.8
147.11693	12.5
149.09628	10.5
151.11188	65.5
157.10185	8.3
159.08069	9.9
159.11708	9.7
161.09567	14.9
163.11157	8.6
171.11737	9.6
175.11195	11.0
179.10666	11.9
183.13782	19.5
190.13383	7.6
207.13789	9.3
227.18008	9.5
245.19020	18.2
263.20029	16.2
273.18405	36.8
291.19568	72.6
292.91190	7.6
305.21115	18.4
323.22174	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19187	4.5
55.01862	12.5
55.05528	33.2
57.03423	5.4
65.03931	6.2
67.05497	66.3
69.03428	7.5
69.07065	33.8
70.15384	13.6
70.15791	11.5
70.86482	5.2
71.04983	4.7
79.05492	45.7
81.03423	7.6
81.07057	68.0
83.04952	17.3
83.08601	16.9
85.06547	6.1
87.84939	4.7
91.05468	47.6
93.07037	51.6
95.04949	15.2
95.08607	42.2
97.02824	6.0
97.06521	9.4
98.20856	7.2
105.07033	48.6
107.04942	13.8
107.08595	41.7
109.06493	16.7
109.10166	41.9
111.04441	11.1
111.08078	17.6
117.07040	9.4
119.08553	25.4
121.06483	15.2
121.10148	13.8
123.04410	5.8
123.08048	8.2
123.11717	11.9
129.06973	6.5
131.08559	17.6
133.06422	10.9
133.10139	62.4
135.11682	12.3
137.09639	9.3
139.07513	10.5
143.08539	8.8
145.06488	6.4
145.10104	11.8
147.08043	15.7
147.11719	6.8
149.09639	10.5
151.11188	50.4
157.10130	7.3
159.11713	5.4
161.09627	20.7
161.13275	9.0
161.77251	5.6
163.11179	7.1
165.08946	5.0
177.09213	6.4
179.10646	17.1
183.13809	14.6
185.13174	6.9
189.12766	7.9
207.13753	7.1
217.12236	6.1
223.13522	8.4
245.19014	12.9
263.20010	25.4
273.18466	43.1
277.00662	5.3
291.16519	4.4
291.19516	100.0
305.21155	9.8
323.22354	36.8
323.25446	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	323.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81224	0.3
56.05006	0.2
56.96565	0.3
70.06566	0.3
70.65475	0.4
70.65839	0.4
71.07361	1.2
72.17663	0.2
85.89910	0.2
91.05483	1.1
93.07016	0.8
95.01316	0.2
103.05476	0.4
107.04308	0.2
107.04928	1.2
108.05740	0.4
113.38224	0.2
116.98602	0.2
119.04962	1.6
121.06512	4.6
127.02377	0.2
133.06451	0.2
135.61807	0.2
147.04410	2.6
148.07568	0.4
149.08356	10.0
153.01871	0.2
160.07481	0.3
161.05986	0.2
163.09825	0.2
164.10706	100.0
165.11061	1.6
176.01201	0.2
214.78445	0.2
248.36455	0.2
256.21774	0.2
323.11218	0.8
323.19638	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	323.2216
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03928	1.4
53.91381	0.9
55.01867	5.1
55.05496	4.3
56.75632	0.9
57.03432	27.7
57.07056	1.0
65.03942	1.7
67.05162	1.6
67.05503	23.5
69.03416	1.2
69.07052	3.9
71.04977	3.4
74.32982	1.1
79.05495	12.7
81.03384	1.7
81.07046	15.2
83.04971	3.3
83.08600	2.5
85.06540	28.6
91.02937	0.9
91.05462	9.3
93.07030	9.7
95.04964	34.9
95.08586	7.1
97.06533	2.1
97.10137	1.7
105.07027	7.1
107.04974	2.6
107.08597	7.0
109.06512	27.1
109.10154	3.3
111.04439	2.1
111.08075	2.4
113.06000	100.0
116.98623	1.7
117.07013	5.2
119.08594	5.3
121.06505	2.6
121.10142	3.8
123.08052	1.5
129.06989	2.4
131.08545	5.7
133.10106	2.3
134.99651	1.1
135.08046	25.1
135.11676	3.9
137.09647	1.1
143.08560	3.3
145.10120	5.9
147.08015	2.8
147.11678	1.5
149.09595	2.4
149.13217	1.8
153.12720	1.3
157.10094	3.3
159.11665	3.1
159.12885	1.0
161.09576	3.1
161.13342	1.0
163.11162	3.7
165.09129	1.3
165.12981	1.2
171.11636	1.2
173.13388	1.4
175.11189	1.5
177.12723	1.6
181.12280	1.2
191.10680	1.2
195.13763	1.7
199.14847	2.2
201.12700	1.7
217.15884	8.9
227.12653	1.4
255.17473	2.5
258.99847	1.2
273.18478	13.0
291.19522	38.7
305.21011	2.9
325.69470	1.0
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
53.03934	2.4
55.01870	3.9
65.03941	2.3
67.01869	3.0
67.05511	2.9
68.99784	9.5
72.08157	2.0
77.03934	2.4
78.04724	2.8
79.05491	1.8
81.03420	3.2
83.01347	4.2
83.04968	1.4
85.02910	1.6
87.57375	1.5
91.05472	4.0
93.07018	1.6
95.04992	7.8
97.02887	1.8
97.06530	2.1
105.03397	1.6
105.06989	2.0
107.04945	2.5
107.43765	1.5
109.02896	6.4
111.00805	2.3
111.04454	3.1
113.02369	1.6
115.05457	3.2
119.04958	8.7
123.04425	86.9
124.05247	21.4
125.02401	3.0
127.03923	4.7
135.04425	4.3
137.02333	6.8
137.05984	2.6
137.44093	1.6
139.03893	32.5
139.04878	2.2
141.01764	2.5
143.04913	1.8
147.04411	19.1
149.06007	2.7
151.03911	5.6
152.04713	17.7
153.01863	5.0
154.02602	4.5
155.03383	100.0
155.63719	1.3
161.05992	5.0
163.03870	7.3
165.05475	6.5
167.03487	1.9
171.02948	2.0
175.07620	2.5
179.03369	3.4
181.04918	1.6
183.02866	4.4
189.05498	3.9
197.06308	1.5
231.06180	1.5
233.07996	1.8
241.05118	1.5
245.04327	1.5
257.02478	1.4
277.06934	1.7
291.10217	2.3
297.03751	1.5
305.06528	2.0
323.07596	1.6
323.12778	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	323.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93033	3.5
71.11755	6.9
124.66819	3.3
136.11131	3.6
194.38393	2.9
282.24786	3.5
311.87628	4.2
323.07358	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	323.0759
Annotation	Leukoefdin
Peak:m/z	Relative Intensity
53.03935	2.2
55.01863	5.4
55.10021	1.6
56.96558	2.5
67.01851	5.1
67.05483	1.9
68.99781	9.0
69.03423	1.9
69.07056	2.2
70.06577	4.5
70.49339	6.6
73.35552	1.6
78.04694	2.5
81.03394	4.4
81.07021	2.3
83.01334	5.1
83.04984	2.6
85.02921	4.2
86.09700	6.4
91.05471	4.1
95.04958	5.2
97.02896	2.5
103.25439	1.8
106.04272	2.1
107.04936	4.9
109.02856	8.0
111.00819	2.6
111.04404	6.1
113.02360	2.8
115.03958	1.8
116.07066	7.6
119.01902	8.9
119.04926	2.9
123.04424	87.8
124.05219	28.5
125.02377	3.2
127.03886	5.4
129.07060	2.0
135.04419	5.0
137.02318	6.7
137.05963	2.2
139.03900	39.7
147.04407	18.8
148.11148	6.3
148.74405	1.6
151.03893	5.2
152.04649	17.9
153.01804	6.9
154.02577	4.9
155.03387	100.0
158.12860	1.9
161.05963	5.3
162.32907	1.9
163.03891	7.4
165.05424	2.9
167.03412	3.4
171.02885	2.7
175.07524	3.1
179.03423	3.9
182.02060	2.6
183.02838	5.1
185.05946	2.4
207.07819	2.9
213.05473	3.3
231.06493	5.1
233.08038	4.3
252.86316	2.3
259.06104	3.1
287.05481	2.5
305.03098	2.2
323.07663	2.1
323.11755	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33041	2.3
54.52835	2.2
56.88058	2.1
56.96550	3.0
57.03417	4.1
61.02921	5.3
67.09918	2.6
69.03424	16.3
69.48489	20.1
71.04955	2.5
72.08143	4.1
73.02898	3.7
73.29546	2.2
77.00922	4.2
81.03410	5.4
85.02905	29.8
91.05468	6.6
95.01962	5.7
97.02889	11.0
107.04977	3.4
109.02893	3.1
119.01917	31.3
119.04917	2.6
121.00590	2.5
123.04382	3.6
127.03936	5.2
137.02971	15.8
137.04018	5.5
145.04926	3.3
147.04390	12.7
148.11215	8.8
161.02089	60.3
177.02437	10.1
179.05609	6.0
185.04211	93.5
195.03369	3.1
197.02969	2.3
197.06564	2.4
197.09509	2.0
203.05319	27.4
215.07011	2.5
241.05464	2.5
259.06015	3.6
281.05069	4.1
323.07373	100.0
324.10672	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	322.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50071	3.1
55.01876	5.6
55.05497	8.7
56.96547	3.2
57.03425	7.3
67.05489	8.7
68.16171	2.5
69.03426	12.8
69.07055	9.9
69.49054	22.5
71.01353	3.0
73.02913	2.6
76.57817	2.3
79.05486	28.4
81.07058	40.6
83.04974	5.0
85.02898	8.4
91.05476	15.8
93.03372	2.8
93.07035	10.8
95.01341	16.6
95.04968	7.6
95.08575	3.8
97.06525	31.8
105.07014	8.8
107.04954	11.0
107.08579	3.5
109.06489	19.7
111.04414	3.1
111.08032	2.9
111.89033	2.7
111.89741	2.9
113.02356	6.2
114.85710	2.4
117.07008	8.4
119.04922	8.1
119.08566	11.2
121.02853	3.1
121.06505	9.3
123.04428	4.1
123.08080	3.4
125.05998	3.6
129.06989	2.6
131.08586	3.3
135.04443	3.7
135.08022	6.7
137.05986	8.8
139.03893	9.7
139.07555	3.8
141.01767	2.4
141.05515	3.0
145.06537	2.8
147.08061	13.3
149.05995	5.6
151.03857	3.1
155.06990	3.8
163.03912	4.1
163.07518	14.2
165.09082	26.1
167.07071	4.6
173.04443	3.6
173.05936	3.1
175.07567	4.6
177.05527	3.3
179.07001	3.0
181.08620	12.6
183.10133	6.0
191.03351	2.4
191.07076	6.0
193.04974	5.9
193.08563	25.6
195.06441	2.4
197.04478	7.6
199.09593	4.8
209.08067	9.1
211.09634	28.1
218.21886	2.5
219.06516	3.8
225.07455	4.1
227.09161	7.9
235.09491	3.7
237.07562	7.5
255.08633	100.0
259.09488	6.4
273.09818	11.8
290.12424	3.2
317.12872	3.5
322.21988	7.5
329.06503	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2422
Annotation	(S)-12-Hydroxygeranylgeranic acid
Peak:m/z	Relative Intensity
55.05504	16.0
55.81980	7.7
56.96554	22.2
61.02909	8.0
67.05504	54.3
69.03426	10.8
69.07059	24.6
71.04990	33.9
71.60207	12.1
79.05484	32.1
81.03397	13.5
81.07052	82.6
83.04963	11.5
83.08568	11.3
91.05450	19.8
93.07032	62.9
95.04964	51.6
95.08597	61.7
100.71716	7.1
105.07020	30.2
107.08583	100.0
109.10159	67.8
109.63033	7.6
119.08575	42.0
121.06459	9.5
121.10143	35.9
123.07911	10.0
123.11732	18.0
127.11229	15.0
133.10109	34.8
135.11684	73.1
137.09584	11.9
137.95795	7.9
141.07071	7.3
143.08522	11.5
143.10669	12.4
145.10106	16.1
147.11710	25.4
153.12767	30.0
159.11644	15.2
173.11787	8.8
173.13263	10.3
175.14874	35.7
189.16472	10.4
193.15884	27.9
199.14799	25.3
215.17967	15.7
229.07524	27.1
236.49573	7.4
247.08548	28.4
269.10373	17.0
285.22116	13.1
287.11572	11.3
303.23218	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0022
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.9
58.11658	0.7
70.17303	0.7
71.58063	0.9
103.80297	0.8
116.98631	1.0
117.29906	0.7
119.01909	2.2
120.02012	1.3
144.02084	0.7
146.03578	0.7
161.02979	1.1
162.03065	2.2
175.04388	0.9
179.42499	1.0
189.02448	1.0
190.02512	3.9
202.02626	1.5
202.94434	1.3
214.20984	0.8
214.93196	1.3
214.96509	25.6
215.96609	1.4
219.01894	1.9
220.03822	1.1
220.95454	0.8
232.94044	1.7
234.05304	1.5
238.96510	3.2
244.49443	0.8
256.97574	100.0
257.97668	4.9
262.04596	1.0
262.96536	2.8
274.95132	4.8
276.92035	2.9
278.43622	0.9
279.99222	1.5
280.97577	4.7
294.93103	3.3
298.98615	93.4
299.98746	3.2
316.96179	1.3
322.00134	3.0
339.94223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.7
56.96556	0.9
60.50009	0.8
61.02917	1.0
67.05482	2.3
69.03423	0.8
69.33691	5.7
69.34108	1.1
79.05489	0.9
81.07059	1.8
83.04974	1.3
86.38966	0.6
91.05463	1.4
93.07014	1.1
95.08600	1.3
105.06999	0.7
107.08611	0.8
109.06530	0.7
109.10107	1.4
119.08553	0.8
123.08044	1.0
151.07561	2.4
169.59665	0.7
173.11726	1.0
189.12769	0.7
207.13762	1.4
229.07448	1.2
247.08528	1.2
269.12347	2.8
277.10608	0.8
303.23422	0.6
321.16724	100.0
322.17108	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	321.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98362	0.1
54.38020	0.1
67.05497	0.2
69.07047	0.2
70.28065	0.4
72.99702	0.1
79.05500	0.3
81.07059	0.3
91.05486	0.6
95.08620	0.1
97.23941	0.2
103.05466	0.1
105.07031	2.7
107.71361	0.1
109.10167	0.2
117.07021	0.1
119.08573	0.2
132.08072	0.6
133.08856	8.2
134.09619	0.2
143.38004	0.1
146.09668	0.2
148.11201	100.0
149.11555	1.6
153.01836	0.2
162.50511	0.1
177.05473	0.3
199.48407	0.1
321.21716	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	321.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05454	3.0
56.96555	10.7
58.99861	3.9
61.02926	9.6
69.03415	4.9
71.59026	5.5
77.00928	4.3
81.97868	3.1
85.02895	8.2
90.18250	3.0
92.46543	3.3
97.02887	4.3
98.97605	7.6
101.00887	23.9
103.02429	6.2
107.04980	3.8
109.03551	3.6
115.02451	6.7
116.98601	5.8
119.01913	100.0
123.95306	3.2
128.98607	3.2
129.03929	3.7
131.01880	15.7
133.03476	36.3
135.05003	3.2
137.02943	24.4
141.06558	7.9
143.01929	8.7
144.99809	5.6
145.01660	3.4
145.03461	14.0
147.05052	5.1
149.02977	5.8
149.06070	3.2
151.04507	7.6
155.01906	6.2
156.02626	3.2
156.04892	3.5
157.03500	11.0
159.05162	5.1
159.07649	3.9
161.02997	26.5
167.01979	4.1
168.99823	11.8
171.01381	5.2
171.05038	4.8
172.99350	3.4
173.02997	18.6
175.04515	9.3
177.02394	4.8
177.06091	3.7
185.02971	7.2
187.00865	36.0
189.02434	16.0
191.03957	21.6
196.05310	5.9
196.99393	6.0
199.00880	4.1
199.37228	3.4
201.02443	10.2
201.06018	4.2
203.04054	5.1
205.01967	11.4
215.00348	38.7
217.01837	5.3
219.03598	7.3
219.07233	8.4
221.05032	10.0
223.50616	3.2
229.01932	10.8
231.07138	6.7
233.05115	16.6
235.06630	8.2
245.05151	5.3
245.85445	3.8
247.02994	61.0
249.04628	5.9
253.07785	14.5
261.04590	3.6
261.08151	7.6
265.04037	11.3
267.09286	7.3
279.09268	9.0
289.03989	8.6
321.06033	6.2
321.10242	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79538	4.1
70.38878	9.5
84.43624	3.3
99.27409	3.1
101.00887	11.5
111.05557	4.4
119.01923	40.5
131.01901	5.0
137.03012	5.6
141.06566	10.4
143.01894	9.3
145.03468	26.2
159.07678	11.3
161.02959	34.6
163.72244	3.7
171.01379	6.1
173.02992	6.3
189.02443	35.7
191.04042	5.9
197.03235	3.2
201.02458	11.5
202.71509	3.6
203.04085	4.6
214.96547	17.2
219.03496	7.9
221.05060	33.9
233.05061	11.8
239.06042	4.2
256.97595	63.4
261.04535	14.0
273.95383	10.7
274.95212	7.5
278.91925	9.8
279.05515	12.7
296.92847	9.6
298.98611	48.6
315.96579	7.3
321.05872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93524	28.9
56.96563	66.2
58.06582	7.0
70.06590	5.3
70.49200	9.4
71.92999	10.3
71.95259	2.4
72.77876	2.7
72.93788	10.8
74.97604	11.9
79.01852	7.1
80.02200	2.8
84.96045	4.7
85.02906	5.6
88.03954	2.9
90.94817	5.7
91.05457	4.7
92.98657	3.7
97.02888	3.2
98.05380	2.1
103.79530	2.3
109.03586	2.2
111.96085	2.4
116.98611	4.2
117.21747	2.5
118.06535	2.8
120.08053	2.7
123.04440	5.8
125.02328	6.9
125.96111	2.6
126.02689	3.3
129.97136	7.4
130.06519	7.9
132.08069	4.1
139.03862	7.3
143.03383	9.8
144.03735	5.6
144.08066	3.9
144.95781	2.7
146.05978	9.4
150.99167	13.6
151.00305	2.0
152.11137	2.3
152.43750	2.3
153.01826	100.0
153.02896	5.1
154.02155	71.9
156.10210	3.1
159.09135	3.2
160.50798	2.4
169.00215	13.8
169.01616	5.1
170.05937	3.6
177.02213	45.0
187.02757	8.9
188.07057	20.2
195.03294	71.3
195.28156	2.6
197.01233	2.5
201.95677	4.0
205.09703	4.1
211.02753	2.5
215.97142	7.8
224.94794	43.8
225.95592	13.7
235.02821	3.9
239.02277	22.7
242.95854	47.2
248.06342	4.3
253.03860	4.4
255.96567	12.0
257.03345	7.0
257.17270	2.3
260.12186	3.2
269.94565	10.6
273.97699	88.9
278.13232	7.3
278.98215	41.6
279.01376	2.5
287.95645	16.0
296.99326	99.1
297.02768	10.0
302.11816	4.2
303.12836	5.3
320.00912	8.6
320.04419	4.8
320.07910	3.3
320.11832	2.9
320.15662	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	319.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
53.55530	0.4
56.05035	5.0
56.96288	0.9
56.96563	18.4
57.05804	1.4
60.05645	1.4
65.03943	0.4
69.03419	0.5
69.04536	0.9
69.43862	1.9
69.44293	2.0
70.06582	1.7
71.06104	0.5
71.85947	0.4
71.95243	0.5
73.02914	0.7
74.04805	0.5
74.97613	2.3
77.85182	0.5
79.01846	6.4
83.06102	2.1
84.96012	0.8
85.02888	0.7
85.07664	0.5
86.09689	1.0
87.05620	0.6
91.05497	1.3
92.98643	0.8
95.04971	1.3
95.06077	1.9
95.08626	0.6
97.02878	1.8
98.97628	0.7
99.05498	0.5
105.03381	0.6
106.06541	1.2
107.01319	1.1
107.04980	0.5
111.04412	0.5
111.05552	5.6
112.05109	0.5
112.08751	0.8
113.07139	3.2
117.05766	0.7
118.06526	1.1
120.04463	2.7
120.05196	0.5
123.05585	0.7
125.02326	4.2
126.06644	2.5
127.07417	1.6
128.08217	0.5
130.06497	0.9
131.04926	0.6
132.04449	9.6
132.08098	1.2
134.06007	3.0
137.04657	1.0
140.08191	2.1
143.03392	9.7
148.03902	1.3
150.05505	6.0
150.99159	5.4
151.03882	0.7
151.06146	6.8
152.06802	0.6
153.01822	100.0
153.02794	3.7
154.02199	3.0
157.09656	0.9
159.09062	0.5
162.05489	0.8
163.03792	0.6
165.06567	0.9
166.04988	0.6
169.00198	3.8
169.01712	1.7
170.02475	0.7
175.08749	0.6
176.07083	1.5
177.02248	12.7
187.02789	2.0
187.07368	0.4
187.08691	3.7
189.06610	1.4
195.03293	19.2
197.01189	0.5
199.10852	0.8
202.09753	3.8
203.08145	3.5
213.04338	1.0
216.11298	0.8
218.04834	0.9
219.07704	0.7
221.01147	1.0
225.04608	0.5
229.03806	0.9
230.09250	2.9
231.07645	23.0
232.07733	0.6
232.10849	1.1
233.09061	1.4
233.13948	5.0
234.12372	0.9
235.02748	1.0
239.02245	6.3
242.09184	2.2
246.08658	1.0
247.06081	1.4
253.03859	1.7
253.41588	0.6
257.03247	1.6
257.10294	3.3
259.11914	18.3
260.10318	1.5
272.11575	0.6
273.03922	0.6
277.12943	64.3
278.13266	2.3
279.01752	1.6
284.11411	2.4
297.02759	4.3
301.11670	1.4
301.14545	0.7
302.12451	37.1
303.12817	1.4
315.03931	1.7
319.04498	1.2
319.15137	57.2
320.07382	0.6
320.15399	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	319.0813
Annotation	CHEBI:68128
Peak:m/z	Relative Intensity
51.02381	1.0
53.03952	3.3
55.01878	1.6
55.05493	1.6
56.96557	1.0
57.03427	0.9
65.03939	1.4
67.05504	2.9
68.99790	4.5
69.03431	1.4
69.07068	0.7
70.06592	0.8
70.99403	1.2
71.01358	0.7
72.08165	0.9
76.15288	0.6
77.03924	0.8
79.01844	0.6
79.05488	3.7
81.03422	5.5
81.07056	1.3
83.01343	11.5
83.04978	3.1
83.63889	0.6
85.02898	0.7
86.00642	0.6
91.05450	1.1
93.03399	0.7
93.07069	0.8
95.04961	3.8
95.08610	1.1
97.02870	1.2
105.03380	1.8
105.07015	1.8
107.04955	9.3
108.05280	2.4
109.02848	1.5
109.05475	0.9
111.00842	1.3
111.04445	4.2
115.05475	1.2
121.02861	2.4
121.06460	0.9
121.10104	0.7
123.00797	0.7
123.04431	50.4
123.08032	0.6
125.02358	2.0
125.05990	4.7
128.06277	0.9
129.07005	0.9
131.04941	1.1
133.02875	3.0
133.10094	1.2
135.04405	10.5
137.02342	5.9
137.05952	3.8
139.03900	3.3
139.06619	0.6
141.05463	20.8
143.03406	1.5
143.08389	1.1
143.93839	0.6
145.02864	1.4
145.47585	0.6
147.04396	2.2
149.02350	1.6
151.03929	7.2
153.01836	11.5
153.05464	4.2
153.06787	1.0
156.08423	2.4
157.06483	0.6
161.02332	4.0
161.05969	1.8
161.13319	0.7
163.03909	49.3
164.04526	1.0
165.01848	1.3
165.06898	0.6
167.03400	100.0
168.03809	1.6
169.01328	5.2
171.02943	0.8
171.04399	1.7
171.08038	2.5
175.03931	2.9
175.07452	1.2
177.05492	1.9
179.03445	5.4
181.01367	0.8
181.04991	11.3
181.06480	2.0
184.05173	1.3
185.04456	33.5
189.05519	1.4
189.09145	0.9
195.02884	1.3
199.03876	1.3
199.07541	5.4
203.03401	3.8
207.02831	0.9
209.04440	15.9
213.05284	0.8
216.10487	2.9
217.05023	1.7
217.08612	1.3
227.03485	0.9
227.07025	7.0
229.08649	0.8
230.05659	0.6
231.06392	0.8
245.04482	6.1
245.08101	40.9
245.10542	1.8
246.08580	1.5
255.06412	3.2
258.05283	0.8
259.05954	1.9
259.11078	2.1
263.05585	0.9
272.06796	1.2
273.04065	5.6
273.07550	47.2
273.10065	1.8
274.07907	1.3
290.04413	0.7
291.05069	1.0
301.03427	2.0
301.06995	16.2
301.11865	1.9
319.04468	60.6
319.08072	11.3
319.12753	4.3
320.04800	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	319.081
Annotation	Taxifolin 3-methyl ether
Peak:m/z	Relative Intensity
50.01584	0.2
51.02350	0.3
53.00298	0.1
53.03941	0.0
55.01860	0.2
56.15837	0.0
56.96539	0.1
57.76450	0.0
60.51360	0.0
62.50499	0.0
65.03935	0.1
67.05471	0.1
68.99786	0.2
69.03423	0.2
69.07073	0.1
71.59386	0.0
73.02911	0.7
79.01848	5.5
79.05476	0.1
79.28004	0.0
79.52721	0.0
80.02184	0.1
81.07056	0.1
83.05011	0.0
84.67362	0.0
85.02917	0.0
85.90434	0.0
87.00846	0.1
91.05473	0.1
92.04979	0.0
95.04960	1.1
96.08115	0.0
97.02884	1.1
103.05463	0.0
107.01311	1.1
107.04944	0.1
109.02827	0.1
121.06535	0.1
123.00793	0.2
123.04467	0.1
124.07611	0.1
125.02344	3.8
126.02695	0.0
126.09126	0.2
126.09972	0.1
133.02838	0.1
135.04362	0.0
137.02272	0.1
137.05934	0.2
138.05522	0.1
138.09172	0.2
139.03920	0.1
141.05286	0.1
143.03387	9.1
144.03720	0.1
147.04443	0.1
149.05977	1.0
151.03914	1.1
151.04991	0.1
153.01814	100.0
153.02745	3.9
154.02139	1.4
157.07603	0.0
163.03925	0.1
165.01866	0.1
166.04953	0.4
167.03374	0.1
176.10770	0.1
177.05457	1.3
179.03450	0.1
181.06436	0.1
194.04514	0.3
199.08752	0.1
209.05917	0.0
212.09489	0.1
213.09093	0.1
217.04887	0.1
225.10085	0.1
226.10968	0.1
227.11798	0.2
228.10089	0.1
229.04816	0.0
235.06082	0.0
241.08490	0.1
243.07614	0.2
245.04463	0.1
247.05995	1.8
255.11121	0.1
257.09308	0.1
270.09973	0.2
271.10748	0.2
272.11578	0.5
273.04160	0.1
273.07465	0.1
273.12451	0.5
277.12491	0.0
283.10855	0.2
301.11850	1.5
319.04410	0.8
319.07971	0.1
319.12814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0448
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
51.02380	0.1
52.62368	0.1
53.00299	0.2
53.03956	0.2
55.01873	1.1
55.05490	0.1
55.83361	0.1
65.03934	0.5
67.01861	0.3
67.05492	0.4
68.99425	0.3
68.99784	3.9
69.00161	0.2
69.03401	0.3
70.66103	0.3
70.66434	0.2
71.01350	0.5
79.01848	0.7
79.05518	0.1
81.03411	1.6
81.07064	0.3
85.02909	0.2
87.08089	1.2
91.05486	0.3
93.03394	0.4
95.01332	1.4
95.04963	0.7
97.02881	0.6
99.00867	0.2
103.05452	0.2
105.03378	0.3
105.07011	0.4
107.01311	0.8
107.04918	0.2
107.65745	0.1
109.02860	1.4
111.00798	0.9
111.04417	0.4
113.02362	0.3
115.05455	1.4
119.04905	0.3
119.08568	0.1
121.02861	1.9
121.06496	0.2
123.00773	2.3
123.04424	1.3
125.02341	1.3
127.00259	0.3
127.03919	1.0
131.04935	0.4
133.02863	0.4
133.06480	0.4
135.00768	0.2
135.04372	0.3
137.02336	31.4
137.03394	2.4
138.02660	0.3
139.00255	0.5
139.03908	0.4
141.01781	0.4
142.02596	0.3
143.03389	0.5
143.04909	1.1
145.06458	0.3
147.04404	2.3
149.02359	0.8
149.05986	0.3
150.03123	0.9
151.00264	0.6
151.03868	0.3
153.01816	8.6
155.04910	0.2
157.01373	0.2
157.02792	0.2
159.04451	0.2
161.02327	0.4
161.05959	1.5
163.00212	0.2
163.03902	0.5
165.01851	1.7
166.02586	0.4
169.01311	8.5
171.02884	0.6
171.04364	3.8
173.05954	0.2
175.03922	1.2
177.05472	0.4
179.03392	0.8
181.01314	2.3
182.02115	0.4
183.02856	0.4
183.04384	0.3
185.00841	0.6
187.03850	0.3
189.03925	0.2
189.05457	2.7
191.03381	0.2
193.01332	0.2
193.04904	0.2
195.02917	0.6
198.28371	0.1
199.03889	5.0
203.03378	1.3
205.04942	0.2
207.02852	0.5
209.00844	0.2
216.04161	0.3
217.04956	4.2
217.07014	0.3
221.04417	0.4
227.03375	2.8
228.04059	0.3
229.05045	0.4
231.02827	0.7
235.06015	0.4
244.03674	0.5
245.04440	9.2
246.04987	0.2
247.05991	0.2
248.03096	0.2
249.03871	0.5
255.02861	2.4
256.03583	0.3
257.04453	0.6
262.04868	0.2
263.05521	1.3
272.03061	0.2
273.03912	25.2
274.04294	0.9
283.02390	1.4
284.03232	0.7
290.04193	0.9
291.04865	0.4
301.03409	18.4
302.03784	0.9
319.04443	100.0
320.01404	0.2
320.04816	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	319.0446
Annotation	Myricetin
Peak:m/z	Relative Intensity
53.03934	0.2
55.01861	0.5
56.82330	0.1
62.49940	0.1
65.03923	0.4
67.01849	0.4
68.99425	0.3
68.99783	3.6
69.03407	0.4
69.87684	0.7
79.01838	0.4
81.03412	0.8
85.02890	0.2
87.98833	0.1
91.05495	0.2
93.03382	0.5
93.07085	0.2
97.02870	0.5
98.20799	0.3
105.07004	0.5
105.99088	0.1
107.04917	0.2
109.02876	2.4
111.00033	0.2
111.00793	4.7
111.04428	0.7
115.05415	0.3
116.33086	0.2
121.02831	0.4
121.06489	0.3
123.04409	0.4
125.02344	0.5
126.03108	0.6
127.03918	0.8
131.04854	0.2
133.02829	0.5
133.06461	0.4
135.04413	0.2
137.02321	3.9
139.03877	0.6
143.03412	0.2
145.06459	0.3
147.04381	0.8
149.02309	0.4
151.03851	0.2
153.01811	22.6
153.05382	0.5
154.02086	0.3
161.05994	0.7
163.03967	0.2
165.01814	5.7
166.02582	1.1
171.03023	0.3
171.04413	0.9
173.05962	0.3
175.03836	0.3
177.05420	0.9
179.03375	2.9
180.06026	0.1
180.78886	0.1
183.02892	2.0
183.04446	0.2
187.03891	0.3
189.01831	0.3
189.05434	2.4
193.01276	0.7
193.04886	0.3
195.02849	1.6
199.03888	0.9
203.03362	1.3
204.04245	0.3
207.02823	0.8
207.06412	0.2
208.03600	0.2
217.04941	8.0
219.02873	0.6
221.04390	0.7
227.03355	0.8
229.04962	0.6
231.02896	0.7
232.03629	0.5
233.04431	0.2
235.02339	0.4
235.05882	0.7
239.01794	0.3
244.03656	0.6
245.04428	9.5
255.02986	1.3
257.58456	0.2
262.05185	0.2
263.05386	0.9
272.03098	0.3
273.03915	8.3
274.04318	0.2
283.02283	0.4
290.04196	2.2
291.04959	0.3
301.03424	2.0
319.04453	100.0
320.04788	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	319.0447
Annotation	Myricetin
Peak:m/z	Relative Intensity
55.01864	0.7
56.96573	0.2
62.37525	0.2
65.03929	0.8
67.01857	0.5
67.05490	0.2
68.99429	0.4
68.99786	4.6
69.03414	0.7
70.94038	0.2
70.99440	0.5
74.16959	0.2
79.01839	0.4
79.05481	0.4
79.97239	0.2
81.03416	0.7
81.07063	0.3
86.09720	0.2
91.05489	0.3
91.50493	0.2
93.03392	0.3
93.07044	0.2
95.01311	0.2
95.04978	0.4
97.02870	1.0
103.05468	0.2
105.03407	0.2
105.07019	0.5
107.01308	0.4
107.04964	0.5
109.02888	2.1
111.00803	4.5
111.04443	1.3
115.05472	0.4
121.02862	0.8
121.06469	0.6
121.10158	0.2
123.04423	1.3
124.07588	0.2
125.02341	1.5
126.03152	1.2
127.03919	1.3
131.04906	0.4
133.02846	0.6
135.04416	0.7
137.02335	5.1
137.03406	0.3
137.05972	0.5
139.03897	1.1
143.03375	0.3
143.04962	0.2
145.06464	0.3
147.04379	1.3
149.02289	0.5
149.05988	0.7
151.03889	0.6
153.01823	25.9
153.05423	0.7
154.02202	0.2
159.04510	0.2
161.02315	0.3
161.05969	0.9
163.03920	2.0
165.01837	8.9
166.02582	1.1
167.03372	0.5
169.01283	0.5
170.02243	0.2
171.04378	0.9
171.08112	0.2
175.03877	0.8
177.05447	1.7
179.03398	5.9
181.04980	0.3
181.63318	0.2
182.05386	0.3
183.02873	2.1
183.05455	0.3
185.13316	0.2
189.01897	0.3
189.05479	1.7
191.03563	0.2
193.01338	0.6
193.04993	0.3
195.02924	2.9
199.03928	1.0
199.07474	0.3
203.03365	2.6
205.04927	0.3
207.02904	3.2
208.03716	0.2
209.04381	0.3
209.53337	0.2
214.80481	0.2
217.04965	6.5
219.02931	0.3
221.04449	1.6
227.03436	1.0
227.06956	0.5
228.03615	0.2
229.05003	1.1
231.02931	1.1
232.03636	1.6
233.04373	0.3
235.02394	0.6
235.06015	0.4
244.03656	0.5
245.04462	10.6
245.08090	1.8
246.04790	0.3
249.03993	0.6
255.02866	1.9
255.06699	0.3
259.02328	0.4
263.05576	1.3
272.02966	0.4
273.03925	12.1
273.07492	2.4
283.02304	0.6
290.04193	2.8
291.04999	0.3
299.97131	0.2
301.03406	2.6
301.07043	0.7
301.11859	0.3
306.80594	0.2
319.04477	100.0
320.04843	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
53.86623	0.2
55.01862	0.4
55.05495	0.6
56.96548	0.4
57.03424	0.8
61.02918	1.6
65.03942	0.4
67.05493	0.6
69.03422	3.8
69.07051	0.7
70.06584	0.6
71.04983	0.5
71.59163	0.5
72.08127	0.3
73.02910	0.8
79.01833	0.9
79.05477	0.7
81.03419	1.7
81.07041	0.3
82.06566	0.9
83.04971	0.3
84.29660	0.3
85.02900	7.0
86.09717	0.3
87.04460	0.7
91.03938	0.8
91.05465	0.6
93.07041	1.0
95.04962	0.3
95.07327	0.6
95.08599	1.5
95.31184	0.3
96.04482	3.3
96.08106	2.5
97.02886	3.1
97.05266	2.2
97.06513	1.1
98.97545	0.4
99.04490	0.5
100.07610	1.0
107.01309	0.3
108.08108	0.6
109.02872	0.9
109.06511	0.6
110.06039	6.3
110.09687	3.0
111.08080	1.0
120.08093	0.9
121.06490	1.1
123.04386	0.5
123.06778	0.5
124.89497	0.3
125.02316	0.7
125.08363	1.0
126.09147	8.3
127.03919	1.8
138.09126	20.1
139.07533	1.2
143.03395	1.4
145.04935	0.9
146.71570	0.3
147.04411	0.5
152.10599	0.3
153.01822	16.1
154.02194	0.3
156.10188	100.0
157.10583	2.5
163.03952	0.4
165.05409	0.5
168.10190	1.0
177.05371	0.5
180.10162	0.9
198.11223	0.8
199.08221	0.5
229.09656	0.4
272.11447	0.4
273.12247	0.4
277.12900	1.0
288.10724	1.8
300.10281	0.4
301.03415	0.4
301.11783	1.2
302.12607	0.6
318.11487	0.8
318.15512	2.0
319.04468	1.2
319.07788	0.4
319.15543	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.5
56.08762	4.2
56.96563	23.4
57.03442	6.9
64.76115	4.3
67.05504	6.7
69.03430	14.6
70.06590	5.1
71.58994	10.6
72.08184	6.7
73.02925	7.4
79.05499	5.4
81.03423	5.4
84.04504	5.7
85.02909	27.6
86.09715	17.8
91.05476	13.9
92.30905	4.5
94.06554	7.0
95.04993	10.7
96.04494	4.4
97.02892	13.5
105.07041	13.6
107.04963	61.1
108.05306	11.8
109.02916	11.0
110.06022	11.1
111.04417	8.9
111.63934	4.5
116.98618	11.1
117.06990	5.5
119.04903	23.1
121.06526	5.5
123.04418	10.6
124.07552	5.0
127.03913	7.1
131.04921	10.1
133.06526	9.3
133.08875	6.2
134.99608	6.0
135.04430	14.1
137.05980	8.6
138.05489	82.9
138.07576	5.1
138.09143	5.2
145.05052	6.2
145.06456	9.7
146.99596	4.9
147.04398	50.6
147.08061	9.1
151.03949	5.4
153.01828	12.0
156.06554	41.5
161.05981	6.5
163.03961	22.8
165.05484	5.5
173.06006	11.9
175.03873	7.0
175.07558	6.5
191.03496	8.6
193.04926	16.7
201.05508	6.1
202.10400	4.8
211.02705	6.3
211.06117	6.6
228.06400	24.5
229.03841	6.8
238.04335	10.2
252.86162	5.6
256.05850	14.3
283.08002	9.8
300.10715	19.1
318.05862	100.0
318.11673	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01860	0.9
56.96563	4.9
57.03433	1.0
58.06610	0.7
61.02913	1.3
69.03426	2.9
71.17163	0.6
72.08150	0.4
73.02912	1.2
79.05494	0.4
80.05012	0.4
80.16766	0.3
81.03405	1.3
82.06581	0.5
83.04965	0.4
84.08139	0.7
84.96027	0.4
85.02908	5.8
86.06054	0.5
87.04452	0.6
94.06557	0.6
95.04942	1.0
97.02879	2.7
98.97575	3.9
99.04395	0.7
100.99190	0.3
104.04951	1.9
107.04959	3.1
109.02872	0.7
110.06039	7.6
116.98635	3.1
119.01923	2.0
119.04952	0.3
120.02052	0.5
123.04473	0.5
127.03895	1.4
128.02252	0.5
128.98587	0.8
132.02087	0.4
132.04395	0.6
133.03485	0.4
134.99652	1.6
137.05956	0.9
138.05495	100.0
139.05821	0.6
145.04906	0.6
146.99629	1.0
147.04420	0.7
149.02934	0.6
149.06030	0.5
151.08653	0.3
153.01851	1.5
156.06548	42.1
157.03528	0.4
158.99655	1.0
161.01208	0.8
161.02930	0.6
165.00690	0.4
175.00870	0.6
177.00720	1.3
179.47473	0.4
184.53609	0.6
185.02995	0.6
186.00809	0.8
190.98624	0.5
191.02383	0.4
193.00226	0.6
193.54158	0.4
199.05421	0.4
206.55783	0.6
208.99620	0.5
211.02744	0.5
214.54710	3.1
217.01936	1.4
219.01819	0.8
223.55211	4.4
224.02330	0.8
229.03519	0.4
233.36139	0.3
235.03027	0.8
237.02769	1.1
277.04095	0.6
278.54745	0.4
295.08746	1.2
318.11685	1.6
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
51.02370	1.3
53.03934	2.4
55.01864	4.9
55.05512	15.8
57.03451	1.7
57.07079	7.5
59.04984	5.4
61.42107	1.4
65.03927	2.3
67.05502	61.6
69.03411	4.4
69.07051	5.4
70.06578	4.8
79.05475	11.8
80.56755	1.4
81.03391	1.7
81.07053	34.2
83.04967	6.0
83.08617	4.8
85.06532	4.2
87.04467	13.8
88.04777	3.5
88.07614	6.5
91.05476	16.3
93.07050	24.9
95.04961	29.5
95.08609	25.2
97.06497	10.4
102.09206	3.0
105.07027	19.5
107.04913	2.4
107.08589	46.5
109.06509	22.7
109.10149	100.0
110.09674	1.6
110.10480	1.6
111.04401	2.0
115.05434	1.6
116.06181	2.1
117.07031	5.4
119.08578	67.4
120.08936	1.5
121.06513	7.3
121.10134	9.3
122.07236	2.0
123.08067	31.1
125.05990	3.4
125.09663	2.0
129.06976	1.8
131.08551	4.3
133.06464	5.5
133.10130	11.6
135.08005	11.4
135.11688	3.6
137.06068	3.0
137.09612	76.3
138.09990	1.7
143.08534	6.9
145.10123	11.4
147.08032	5.2
147.11656	5.9
149.09616	7.9
149.92760	1.4
151.07532	76.9
153.05458	6.7
155.08575	3.4
156.09317	3.3
157.10098	4.7
158.10909	1.8
159.08028	3.7
159.11696	6.4
161.09630	11.0
161.13161	2.7
163.07513	1.9
163.11139	8.0
165.09111	7.6
167.07036	4.3
169.10011	2.0
171.11690	6.6
173.09615	2.7
173.13229	5.3
174.10388	1.7
175.11139	3.1
177.09148	3.6
179.10695	2.9
181.08604	6.3
181.12210	3.9
183.11719	2.6
185.09628	1.6
187.14818	2.0
189.12729	28.0
191.10716	2.2
191.14330	1.9
197.13239	3.5
199.11195	4.1
199.63045	1.6
201.12769	4.3
203.14304	3.0
205.12158	2.6
207.13802	29.6
211.10983	1.5
213.12704	2.6
215.14261	5.6
219.13841	2.5
221.15370	4.8
225.12669	1.7
233.15393	3.2
237.14912	8.8
243.13680	10.9
256.26364	6.0
257.26685	3.8
261.14868	6.6
281.19009	2.8
287.00525	1.6
299.20020	15.3
317.06561	2.9
317.21085	91.6
317.28723	16.6
318.21478	4.7
318.29901	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	317.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
54.66564	0.2
55.01872	0.4
65.03939	0.3
67.05483	0.5
68.99785	0.4
69.03422	0.7
69.37501	1.1
69.37926	1.0
71.43124	0.2
79.05492	1.5
81.03394	0.5
81.07014	0.4
83.01329	0.9
91.05482	0.4
93.03407	0.4
95.04958	1.9
95.08608	0.3
101.01025	0.2
105.03406	0.3
105.04514	0.4
105.07016	0.8
107.04946	100.0
108.05282	1.1
109.02876	0.2
109.06538	0.4
109.10131	0.5
119.08559	0.5
121.02861	0.9
121.06487	0.8
123.04438	1.1
123.08059	0.5
125.02377	0.5
129.06993	0.3
131.04935	0.8
133.06505	0.4
137.02359	2.7
137.05930	0.8
137.09589	0.4
141.06969	0.5
145.06516	0.4
147.04375	0.4
147.08028	0.9
149.02289	0.4
149.05974	0.9
151.03896	0.9
151.07498	0.7
153.01843	0.6
153.28513	0.3
156.00972	0.2
163.03900	0.7
163.07578	0.3
165.05487	0.4
165.09093	1.4
167.03403	4.8
167.04758	0.4
167.07054	1.6
169.06450	0.6
169.08586	2.5
173.05975	0.3
175.07593	0.5
177.05463	0.5
178.06200	0.4
179.03419	2.2
181.04964	1.0
181.06363	0.2
187.03772	0.3
187.07608	0.4
190.06242	0.3
193.08583	4.2
193.75618	0.2
196.07298	0.6
197.04367	0.7
197.06000	0.4
200.04660	0.5
205.08624	0.6
211.09628	15.0
215.07022	1.6
223.09631	0.5
225.05412	0.2
232.93663	0.3
233.68221	0.2
239.10614	0.5
241.04927	0.3
242.05632	0.3
243.06511	3.4
261.07590	0.4
267.10260	0.5
271.06042	1.6
283.09509	0.2
288.06262	0.9
299.05579	1.0
299.09631	0.5
299.12802	2.9
302.04230	0.5
315.05222	0.4
317.06543	42.5
317.13824	4.0
318.06863	1.9
321.71848	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1382
Annotation	864719-17-5
Peak:m/z	Relative Intensity
51.02370	0.5
53.03955	0.5
55.01867	0.4
57.03418	0.3
67.05494	0.7
68.99812	0.3
69.07056	0.3
70.06598	0.3
70.27418	1.3
79.05492	1.7
81.03414	0.7
81.07050	0.9
83.01314	0.4
83.04959	0.4
85.39853	0.3
91.05493	1.0
93.07041	1.3
95.04952	1.8
95.08590	0.5
97.06511	0.3
98.97534	0.3
100.29959	0.2
103.05460	0.3
105.07019	1.4
107.04954	100.0
108.05248	0.9
109.02878	0.3
109.06488	0.6
109.10147	0.5
117.07031	0.5
119.08620	0.4
121.06496	1.2
121.10095	0.6
123.04404	0.6
127.03899	0.3
131.04924	1.5
133.06479	0.7
133.10170	0.4
135.08069	0.3
135.11644	0.3
137.02322	0.6
137.05948	0.7
137.09628	0.6
139.03876	0.3
145.06473	0.6
147.04414	0.5
147.08060	0.7
149.05977	1.2
151.03848	0.5
151.07492	0.8
153.01836	1.6
154.02190	0.4
155.02281	0.8
161.05978	0.7
161.09674	0.3
163.03911	0.4
165.05498	0.6
165.09151	2.0
167.03386	0.5
167.07014	1.3
169.08612	3.3
175.07594	0.3
177.05470	0.3
178.06169	0.3
179.10716	0.3
181.04962	1.2
181.08563	0.7
189.09062	0.3
193.08597	6.3
195.06514	0.4
196.07178	0.5
200.04442	0.3
205.08575	0.5
207.08032	0.3
211.09645	20.6
215.07030	0.3
219.07735	0.3
223.09605	0.7
228.04242	0.3
243.06573	0.4
267.09979	0.7
269.11646	0.6
271.09402	0.4
274.04739	0.8
284.13925	0.3
287.12769	0.5
299.09323	0.5
299.12787	4.5
299.16205	0.4
301.03354	0.9
302.04239	3.7
317.02820	0.6
317.06485	8.8
317.09729	1.0
317.13791	4.7
317.17422	3.6
317.20993	0.4
318.06689	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	Cyrtominetin
Peak:m/z	Relative Intensity
51.73904	0.5
54.92108	0.5
55.71348	0.5
60.62177	0.5
65.03954	0.8
67.05492	2.3
68.79307	0.6
69.03417	0.6
70.06598	0.7
71.04508	1.3
71.04878	0.6
79.05486	3.2
81.07030	0.5
83.01339	3.6
83.04961	0.8
89.03915	7.1
91.05463	0.6
95.04961	1.4
97.02880	2.5
97.06535	1.6
105.07042	0.6
107.04946	5.1
111.04463	2.7
117.03375	10.4
117.85490	0.5
120.69170	0.6
123.04429	6.6
125.05976	2.3
135.04410	19.8
137.02339	0.7
137.05965	1.0
138.56647	0.6
139.03889	1.4
145.02846	15.1
151.07426	1.2
153.01819	0.9
159.04356	0.7
163.03899	82.2
164.04263	1.0
179.03368	0.7
179.07054	1.9
181.04948	100.0
182.05362	1.3
187.03876	1.1
199.06009	4.6
199.60582	0.6
205.04982	1.1
207.06490	3.7
215.06963	0.6
225.09262	0.7
243.06392	0.7
299.09027	2.8
317.06854	4.3
317.10162	97.8
318.10510	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	317.102
Annotation	Pholidotol B
Peak:m/z	Relative Intensity
52.75014	0.7
53.03949	0.8
55.02902	0.8
56.96546	1.1
67.05489	1.3
68.15648	0.8
68.24870	0.7
69.03426	1.2
69.07050	1.0
71.59180	0.8
71.59570	1.0
72.35098	0.7
79.05486	2.9
81.07040	2.2
83.01338	2.1
87.11202	0.7
91.05469	3.6
93.07039	3.4
95.04971	2.1
97.02880	1.7
101.21338	0.8
103.05447	1.0
105.07012	1.9
107.04955	29.3
107.08578	1.3
109.10175	1.7
111.04415	0.9
119.04922	3.4
121.02850	1.4
121.06516	4.2
121.10117	1.6
123.04436	1.8
133.10133	1.7
135.04436	2.1
135.11714	1.0
137.06015	0.9
139.07515	3.0
145.02831	1.0
147.04410	1.7
147.11595	0.8
149.05995	6.4
153.01865	1.5
161.09639	0.9
163.03844	2.5
165.05496	1.8
167.03464	1.3
167.07086	1.3
177.05479	33.0
178.05931	0.9
179.03391	0.8
179.08546	0.8
181.04958	100.0
182.05376	1.4
182.07275	2.2
195.06491	4.1
197.09610	2.0
213.05501	1.2
223.06052	7.1
225.09045	1.9
228.07877	1.6
243.10165	39.2
244.10522	1.1
256.07233	1.7
270.08838	2.2
271.09644	23.9
299.09198	8.9
301.03473	1.0
302.04190	3.0
317.06525	11.6
317.10089	4.8
317.24753	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1019
Annotation	3,7,4'-Trihydroxy-5-methoxy-6-methylflavanone
Peak:m/z	Relative Intensity
51.25994	0.1
53.03939	0.2
55.01860	0.7
55.05510	0.2
56.96568	0.5
65.03934	0.9
67.05489	1.9
68.99784	0.9
69.03423	0.6
69.77237	0.2
71.12185	0.5
77.03936	0.2
79.05482	0.7
81.03402	0.5
81.07053	0.4
83.01332	3.2
83.04979	0.4
89.03910	0.6
91.05474	0.4
93.03407	0.8
95.04971	1.4
95.08582	0.3
97.02872	0.3
97.06485	0.2
105.03403	0.4
107.04947	1.2
109.02889	0.6
111.04432	0.9
116.98586	0.2
117.03411	0.8
121.02864	2.0
123.04433	2.5
125.02329	1.1
125.05934	0.2
127.03904	0.4
128.98651	0.2
131.00153	0.2
131.08578	0.2
133.02846	0.2
135.04420	2.7
137.02342	6.5
137.03426	0.6
137.05975	0.4
139.03889	0.5
141.07011	0.7
145.02812	1.9
145.06522	0.3
147.04433	0.4
149.01231	0.2
149.02348	0.6
149.05971	0.3
151.03897	2.2
153.01828	0.6
153.05499	0.2
155.05025	0.2
159.08066	0.5
161.05936	0.2
163.03903	11.1
164.04227	0.2
165.05515	0.3
167.03392	10.8
168.03770	0.2
169.06494	1.0
171.08017	0.3
177.05516	0.6
179.03377	4.4
179.04892	0.3
179.07002	0.3
180.04131	0.7
181.04944	17.1
182.05339	0.2
185.04507	0.2
187.03954	0.4
187.07527	1.2
189.00816	0.3
191.03470	0.4
193.04990	0.6
195.06613	0.2
197.04424	1.2
197.05949	1.5
199.05995	3.7
199.07704	0.3
200.04692	1.3
201.05464	0.5
205.05019	0.6
205.08669	0.3
207.01544	0.2
207.06497	0.8
209.04436	0.4
215.07010	3.3
219.02992	0.3
219.06538	0.2
225.05455	0.6
225.87613	0.2
227.07047	0.3
228.04231	0.3
229.05028	0.2
231.06491	0.2
233.08110	0.5
241.04781	0.4
242.05785	0.5
243.06511	8.4
244.06905	0.4
246.05161	0.3
253.05016	0.5
259.06039	0.3
261.07431	0.9
271.05984	3.7
271.09344	0.2
271.10010	0.2
272.06403	0.3
274.04529	0.2
285.04202	0.2
288.06201	1.3
289.07019	0.3
299.05569	2.0
299.09018	0.4
300.06039	0.2
302.04269	0.4
315.05057	0.5
317.06589	100.0
317.10156	12.8
318.03189	0.3
318.06885	5.1
318.10263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1017
Annotation	Cyrtominetin
Peak:m/z	Relative Intensity
52.41393	0.5
53.03936	1.0
56.96548	0.5
57.03409	0.5
61.65188	0.4
63.45575	0.4
65.03936	0.3
67.05499	1.9
69.03425	0.9
69.07037	0.7
70.80888	1.2
79.05495	3.4
81.07069	0.5
83.01334	2.7
83.04994	0.5
85.02936	0.4
89.03914	7.5
93.03413	0.6
95.04969	1.2
95.08591	0.8
97.02888	2.0
97.06507	1.5
105.07049	0.6
107.04946	5.0
109.10139	0.4
110.18758	0.4
111.04466	2.0
111.36069	0.4
117.03374	10.4
119.08530	0.5
123.04421	5.6
125.05972	1.7
125.16822	0.4
135.04411	18.1
137.02307	0.9
137.05981	0.7
139.03902	1.5
139.22208	0.4
142.52122	0.4
145.02841	13.1
147.04425	0.6
151.07535	1.3
153.05453	1.2
159.04407	0.8
163.03896	78.2
164.04219	1.2
177.05458	0.6
179.03397	0.6
179.07045	1.8
181.04947	100.0
182.05255	1.0
187.03847	0.8
199.05981	3.0
205.04938	0.8
207.06528	4.0
215.06900	0.5
223.05936	0.4
225.09146	0.6
299.09192	2.6
317.10172	86.5
318.10571	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	317.1016
Annotation	Eriodictyol 7,3'-dimethyl ether
Peak:m/z	Relative Intensity
51.45577	0.5
55.01856	1.9
55.05501	0.9
57.90392	0.4
58.06582	0.8
58.61398	0.5
65.03928	0.8
67.05485	2.0
68.99792	1.3
69.03423	19.9
69.07061	0.6
69.66640	1.0
69.67047	2.2
76.07618	0.7
79.05486	1.7
81.03372	0.7
81.07037	2.3
82.06561	0.6
83.08573	0.4
85.02878	1.1
85.06548	0.6
86.09697	1.1
91.05486	4.5
93.07037	0.9
95.04959	2.1
95.08582	2.0
97.02852	0.6
105.03384	0.9
105.07026	1.2
107.04943	2.3
107.08546	0.6
109.02863	0.6
109.06512	1.3
111.04439	1.5
112.07558	0.8
115.05446	1.4
117.36948	0.5
119.04933	9.1
119.08576	0.5
120.05295	0.5
121.06470	1.0
122.09698	0.5
123.04416	58.8
124.04758	1.2
125.02343	0.6
125.05991	1.2
131.04895	1.0
133.06462	1.0
135.04353	1.0
137.02339	1.3
137.05971	4.0
139.03897	5.5
141.05426	5.7
141.07031	0.5
143.04924	1.7
147.04396	24.9
148.03918	1.3
149.05992	3.4
151.03891	2.0
151.07619	0.6
153.01810	3.8
153.05470	6.3
159.04385	0.6
161.05963	5.6
161.13190	0.8
163.03903	2.9
163.07520	0.8
165.01857	3.1
165.05460	100.0
166.05772	2.2
167.03387	0.9
174.05428	0.6
177.05457	3.5
178.51445	0.4
179.03401	1.3
179.07014	3.8
183.02867	4.3
189.05519	2.1
189.09064	0.8
191.03453	0.7
193.04938	0.9
195.02939	0.9
195.06500	3.5
197.05956	0.6
207.02919	0.8
207.06483	7.3
213.09010	0.5
215.07033	0.5
215.36488	0.6
229.08690	0.5
236.20078	3.5
239.06953	0.9
253.05084	0.5
253.08704	0.7
254.21143	8.3
257.08047	1.5
267.06396	0.6
268.22769	0.5
271.09647	1.1
271.14374	1.0
272.22211	4.6
273.07632	1.2
273.11154	0.5
281.07944	0.7
299.05673	0.9
299.09036	5.7
299.26923	1.2
317.06537	5.4
317.10184	23.7
317.14746	2.2
317.27982	12.7
318.10260	0.9
335.07584	0.7
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
51.45577	0.5
55.01856	1.9
55.05501	0.9
57.90392	0.4
58.06582	0.8
58.61398	0.5
65.03928	0.8
67.05485	2.0
68.99792	1.3
69.03423	19.9
69.07061	0.6
69.66640	1.0
69.67047	2.2
76.07618	0.7
79.05486	1.7
81.03372	0.7
81.07037	2.3
82.06561	0.6
83.08573	0.4
85.02878	1.1
85.06548	0.6
86.09697	1.1
91.05486	4.5
93.07037	0.9
95.04959	2.1
95.08582	2.0
97.02852	0.6
105.03384	0.9
105.07026	1.2
107.04943	2.3
107.08546	0.6
109.02863	0.6
109.06512	1.3
111.04439	1.5
112.07558	0.8
115.05446	1.4
117.36948	0.5
119.04933	9.1
119.08576	0.5
120.05295	0.5
121.06470	1.0
122.09698	0.5
123.04416	58.8
124.04758	1.2
125.02343	0.6
125.05991	1.2
131.04895	1.0
133.06462	1.0
135.04353	1.0
137.02339	1.3
137.05971	4.0
139.03897	5.5
141.05426	5.7
141.07031	0.5
143.04924	1.7
147.04396	24.9
148.03918	1.3
149.05992	3.4
151.03891	2.0
151.07619	0.6
153.01810	3.8
153.05470	6.3
159.04385	0.6
161.05963	5.6
161.13190	0.8
163.03903	2.9
163.07520	0.8
165.01857	3.1
165.05460	100.0
166.05772	2.2
167.03387	0.9
174.05428	0.6
177.05457	3.5
178.51445	0.4
179.03401	1.3
179.07014	3.8
183.02867	4.3
189.05519	2.1
189.09064	0.8
191.03453	0.7
193.04938	0.9
195.02939	0.9
195.06500	3.5
197.05956	0.6
207.02919	0.8
207.06483	7.3
213.09010	0.5
215.07033	0.5
215.36488	0.6
229.08690	0.5
236.20078	3.5
239.06953	0.9
253.05084	0.5
253.08704	0.7
254.21143	8.3
257.08047	1.5
267.06396	0.6
268.22769	0.5
271.09647	1.1
271.14374	1.0
272.22211	4.6
273.07632	1.2
273.11154	0.5
281.07944	0.7
299.05673	0.9
299.09036	5.7
299.26923	1.2
317.06537	5.4
317.10184	23.7
317.14746	2.2
317.27982	12.7
318.10260	0.9
335.07584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0654
Annotation	Milimorin
Peak:m/z	Relative Intensity
55.01855	0.9
55.03893	0.4
65.03928	1.6
67.01878	0.4
67.05492	0.7
68.68112	0.3
68.99785	2.5
69.03420	0.7
69.63362	2.1
79.56673	0.3
80.68011	0.3
81.03384	0.8
81.07030	0.5
82.78259	0.3
83.01318	1.1
83.04980	0.5
91.05466	1.1
92.02611	3.0
93.03406	2.8
93.07031	0.4
95.04948	1.1
97.02888	0.7
105.01733	0.4
105.06995	0.6
107.04930	2.2
107.08586	0.4
109.02863	1.3
109.10171	0.3
111.00757	0.6
119.04906	1.1
121.02859	2.8
121.06470	0.8
123.04431	2.3
126.03155	1.6
127.03890	0.7
131.04884	0.6
133.02806	0.4
135.04405	0.7
137.02325	5.2
137.05977	0.5
139.00200	0.5
139.03912	1.9
145.02789	0.4
145.06470	0.5
147.04402	3.6
149.05936	1.1
151.03894	3.7
153.00562	0.9
153.01814	18.5
154.02283	0.5
161.02371	0.6
161.05969	0.8
162.03076	0.3
163.03900	2.0
165.01804	1.3
165.05493	2.3
165.80447	0.4
169.04961	1.0
169.07581	0.4
173.02315	0.4
173.06020	0.5
177.05458	5.9
179.03372	4.4
181.04890	1.8
182.02040	0.4
183.02884	0.4
187.03900	1.3
189.05464	0.9
191.03369	1.2
193.04883	0.5
197.04433	10.3
197.09593	0.6
200.03145	0.8
200.04771	0.7
201.05455	2.0
203.03366	1.9
205.05107	0.5
215.03331	1.2
215.05437	0.9
217.04974	3.3
218.05698	1.3
219.02895	1.4
225.05458	1.5
225.09007	0.5
228.04170	3.5
229.04944	7.4
231.02824	1.2
233.04427	0.7
243.03102	0.5
243.10139	8.0
245.04466	5.0
246.05273	3.1
247.02306	0.6
253.04988	1.5
256.03543	0.5
257.04431	4.7
257.08356	0.4
258.04913	0.6
260.03247	0.5
261.03918	0.9
261.07217	0.4
271.06378	0.5
271.09634	8.6
273.03897	4.2
274.04718	7.1
285.03912	9.0
286.04004	0.4
288.06152	0.5
289.03409	4.5
299.05511	3.5
299.09097	4.2
301.03445	3.2
302.04193	25.3
303.04599	0.6
316.27649	2.1
317.02969	9.5
317.06512	100.0
317.09888	4.1
317.27957	0.6
318.03458	0.8
318.06842	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	317.0653
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
55.01866	0.4
56.96554	0.4
57.12881	0.2
65.03928	0.4
67.05495	0.2
68.99783	0.8
69.03409	0.6
69.55793	1.3
81.03395	0.6
83.01339	1.8
83.04948	0.2
83.06670	0.2
85.77355	0.2
87.37556	0.1
91.05453	0.2
92.02631	0.2
92.74516	0.2
93.03397	0.7
95.04958	1.2
95.38064	0.2
107.04957	0.2
109.02872	0.4
111.06686	0.2
115.05453	0.3
121.02856	2.2
121.64691	0.1
123.04416	1.5
125.02340	1.2
127.03897	0.4
131.08559	0.5
133.02846	0.6
135.04410	0.5
137.02328	6.4
137.03384	0.4
137.05891	0.2
139.26717	0.2
140.04646	0.2
141.05432	0.2
141.06970	0.7
145.02846	0.3
145.06506	0.2
147.04338	0.4
149.02306	0.8
151.03885	1.5
153.01819	0.6
159.04431	0.2
159.08003	0.4
161.01305	0.2
163.03897	1.1
165.01834	0.3
165.05479	0.2
167.03391	10.5
169.06480	0.9
173.05956	0.2
177.05484	0.4
179.03395	5.3
180.04184	0.4
181.04985	0.2
187.03847	0.4
187.07536	0.8
191.03473	0.3
193.04935	0.4
197.04390	0.9
197.06009	1.1
200.04697	1.3
205.04942	0.5
205.08630	0.3
208.03644	0.2
209.04381	0.4
214.06218	0.2
215.03696	0.2
215.07005	3.6
217.04999	0.3
219.02890	0.4
221.70444	0.2
225.05450	0.6
228.04218	0.2
229.04956	0.5
233.08104	0.6
241.04959	0.4
242.05721	0.5
243.06512	8.2
245.04243	0.2
246.05327	0.3
253.04810	0.5
257.04587	0.2
259.05988	0.3
261.04132	0.2
261.07434	1.0
271.05994	4.4
271.08777	0.3
274.04779	0.3
285.03705	0.2
287.05618	0.3
288.06174	1.6
299.05518	1.8
302.04196	1.2
303.04984	0.6
304.05292	0.5
315.04865	0.5
316.28400	0.2
317.06528	100.0
318.06870	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	317.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81092	0.1
52.30253	0.1
53.03959	0.2
56.96543	0.2
65.03923	0.6
67.05508	0.2
68.99792	0.5
69.65712	1.1
81.03426	0.3
83.01328	0.6
91.05466	0.2
92.02626	1.9
93.03400	1.9
93.78040	0.1
95.04970	0.4
105.03414	0.2
109.02872	0.3
111.00782	0.2
115.05410	0.2
121.02863	2.1
122.99934	0.2
123.04414	0.6
125.02357	0.3
126.03154	0.8
133.02838	0.3
135.04417	0.4
137.02335	2.7
139.03886	1.0
141.06985	0.2
145.06456	0.2
147.04404	0.2
149.02339	0.4
151.03891	1.6
153.01828	11.0
155.04918	0.3
159.08131	0.2
161.01193	0.2
161.05865	0.2
162.80055	0.2
163.03896	0.7
165.01869	0.6
166.02609	0.3
167.03415	3.3
168.03775	0.3
169.06473	0.3
173.05962	0.5
176.04613	0.2
177.01868	0.2
177.05492	0.4
179.03400	2.1
180.04149	0.2
181.04837	0.2
183.02817	0.2
183.04356	0.2
184.05278	0.2
187.03906	0.4
187.07477	0.2
190.06226	0.2
191.03368	0.3
192.04352	0.2
193.05008	0.2
194.02031	0.2
195.06625	0.7
196.06860	1.0
197.04362	0.4
197.07280	1.0
200.04649	0.9
201.05478	1.1
203.03415	1.1
209.04559	0.2
215.07101	1.5
217.04970	2.2
218.05736	0.5
219.02924	0.8
220.46967	0.2
225.05540	0.2
228.04176	2.3
229.04965	4.2
230.05779	0.2
231.02869	0.7
232.03654	0.2
243.06520	3.0
245.04453	2.4
246.05223	2.5
253.05061	0.3
256.03632	0.4
257.04471	3.0
259.06094	0.2
260.03149	0.4
261.07599	0.7
271.05991	1.5
271.09052	0.2
273.03943	2.1
274.04721	4.4
284.03027	0.5
285.03943	4.8
286.04721	0.2
288.06262	0.7
289.03735	0.3
299.05713	0.8
299.08777	0.2
301.03357	0.4
302.04208	13.1
303.04825	0.6
304.05331	0.4
315.04855	0.3
317.06552	100.0
318.06894	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	317.0655
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
56.82505	0.4
70.53604	1.4
73.51476	0.4
77.35326	0.5
78.01218	0.4
110.03828	2.3
122.40887	0.4
126.03268	0.4
137.02336	4.0
153.01825	2.4
179.26550	0.4
186.03447	0.5
193.01474	0.8
200.04860	1.4
204.04297	0.9
217.04913	0.6
228.04141	7.3
229.04941	2.9
245.04465	2.7
246.05286	0.5
256.03735	1.3
257.04443	2.4
273.03934	1.4
274.04700	7.2
285.03903	2.3
300.99921	0.9
301.03424	25.7
302.04199	75.1
303.04578	1.4
317.06516	100.0
318.06799	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0653
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
53.03933	0.2
55.01860	0.4
56.35121	0.1
59.38928	0.1
65.03928	0.4
67.05491	0.5
68.99779	0.6
69.03413	0.4
69.69677	0.9
79.05457	0.2
81.03387	0.7
83.01332	2.0
83.04964	0.1
88.28675	0.1
91.05495	0.2
93.03403	0.7
95.04968	1.2
97.02882	0.2
105.03351	0.3
107.01309	0.1
107.04956	0.8
109.02882	0.7
111.04408	0.2
115.05453	0.2
119.04949	0.2
119.64360	0.2
121.02865	2.1
121.10179	0.1
123.04408	1.8
125.02338	1.0
128.06305	0.1
131.08578	0.3
133.02849	0.4
135.04408	0.5
137.02333	6.2
137.03331	0.3
137.05962	0.5
140.04692	0.2
141.05431	0.1
141.06975	0.7
144.05708	0.2
145.02814	0.4
145.06441	0.2
147.04361	0.3
149.02310	0.5
151.03896	1.5
153.01863	0.3
159.04500	0.2
159.08037	0.4
163.03918	1.3
165.01839	0.3
167.03392	10.3
169.06490	0.9
171.08160	0.2
173.06039	0.3
177.05463	0.5
179.03381	4.7
180.04126	0.6
181.06491	0.1
183.02843	0.2
187.03868	0.4
187.07526	1.0
191.03366	0.5
193.04942	0.4
195.02953	0.1
197.04427	1.1
197.06000	1.6
198.42265	0.1
200.04668	1.3
201.05331	0.3
205.04953	0.4
207.02882	0.2
208.03647	0.2
209.04442	0.4
213.05525	0.2
215.03799	0.1
215.07016	3.4
217.04985	0.2
219.02896	0.4
219.06519	0.2
225.05435	0.4
228.04143	0.2
229.04811	0.1
233.08095	0.7
241.04984	0.4
242.05779	0.4
243.06506	8.8
244.06863	0.2
253.04831	0.4
259.05984	0.2
261.07532	1.0
270.47116	0.1
271.03067	0.2
271.06012	3.9
271.09161	0.3
288.06265	1.6
289.07025	0.4
297.03772	0.2
299.05515	2.0
300.05850	0.2
302.04288	0.2
315.04980	0.7
317.06531	100.0
318.06891	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	317.0654
Annotation	Rhamnetin
Peak:m/z	Relative Intensity
55.01859	0.4
55.02178	0.1
55.05500	0.2
62.70810	0.1
65.03928	0.5
67.01864	0.2
67.05485	0.4
68.99770	0.5
69.03405	0.4
69.90504	0.7
77.03960	0.1
81.03406	0.7
83.01341	1.7
83.04952	0.4
91.05439	0.1
93.03407	0.7
95.04958	1.2
97.02882	0.2
105.03357	0.3
107.04958	1.1
109.02876	0.6
110.03608	0.1
111.04452	0.2
119.04932	0.1
121.02856	2.2
123.04417	1.6
125.02345	0.9
126.98218	0.1
127.03906	0.4
128.06218	0.2
131.04887	0.2
131.08557	0.3
133.02812	0.3
135.04427	0.3
137.02335	7.0
137.03380	0.5
140.04706	0.2
141.05434	0.2
141.06982	0.7
144.05699	0.2
145.06522	0.3
147.04343	0.2
149.02321	0.8
151.03915	1.6
159.08069	0.4
163.03908	1.3
165.01793	0.2
166.74895	0.1
167.03394	11.6
169.06473	1.2
173.02203	0.1
173.05923	0.2
177.05463	0.4
179.03387	5.4
180.04163	0.5
183.02939	0.2
185.04588	0.2
187.03874	0.4
187.07550	1.1
191.03362	0.3
193.04936	0.4
197.04391	1.1
197.05995	1.8
200.04704	1.4
201.05502	0.2
205.04951	0.4
205.08549	0.2
208.03641	0.2
209.04401	0.6
213.05539	0.2
214.06293	0.1
215.07016	4.1
219.02916	0.3
219.06616	0.1
221.04504	0.2
225.05457	0.6
227.06885	0.2
228.04169	0.2
229.04991	0.2
233.08052	0.6
241.04976	0.5
242.05682	0.9
243.06516	8.9
244.06805	0.2
246.05247	0.2
253.04980	0.6
259.06049	0.2
261.04758	0.2
261.07541	1.2
270.05112	0.2
271.05994	3.9
272.06488	0.2
279.90262	0.1
288.06281	1.6
289.07013	0.2
299.05457	2.2
300.06094	0.2
303.15320	0.1
315.04919	0.6
317.06537	100.0
318.06894	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	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
50.35849	0.1
50.79465	0.1
57.58043	0.1
63.24110	0.1
65.03938	0.8
68.99788	0.5
69.03421	0.2
69.95129	0.7
71.06184	0.1
73.02914	0.2
81.03400	0.3
83.01334	0.2
92.02625	2.8
93.03407	2.7
94.04179	0.2
95.04967	0.3
97.02883	0.2
102.75937	0.1
107.04939	0.4
109.02895	0.3
109.06500	0.2
111.00767	0.3
120.02116	0.2
121.02864	2.5
121.06488	0.1
122.03647	0.3
123.04380	0.3
126.03107	1.2
131.04901	0.2
135.04399	0.3
137.02344	1.4
137.05885	0.2
139.03880	1.4
141.05473	0.2
145.02800	0.2
145.06439	0.2
149.02359	0.2
150.03131	0.2
151.03911	1.6
151.04984	0.2
153.01817	15.8
154.53304	0.1
155.04865	0.3
159.07994	0.2
163.03925	0.5
165.01784	0.9
166.02585	0.3
167.03398	2.1
170.02122	0.2
172.05136	0.2
173.06001	0.5
177.05443	0.8
179.03375	0.9
181.04918	1.2
183.02890	0.3
183.04338	0.3
187.03883	0.3
188.56438	0.1
190.06226	0.3
191.03392	0.2
191.07004	0.2
192.04129	0.2
193.04822	0.2
193.15625	0.1
197.04420	0.2
200.04692	1.1
201.05455	1.7
203.03386	1.7
204.04228	0.3
215.07005	0.5
217.04958	2.8
218.05751	1.0
219.02875	0.7
228.04161	3.5
229.04950	6.6
230.05376	0.2
231.02861	1.2
243.06538	1.6
243.10191	0.4
245.04451	3.4
246.05228	3.0
247.05966	0.1
256.03726	0.6
257.04434	4.0
258.05313	0.2
260.03073	0.7
261.03870	0.2
261.07529	0.7
271.06122	0.7
271.08795	0.1
273.03888	3.1
274.01633	0.2
274.04706	6.5
284.03131	0.7
285.03918	6.8
286.04510	0.3
287.02139	0.2
287.05264	0.1
288.06216	0.6
299.05460	0.6
299.09216	0.4
301.03387	0.4
302.04202	18.1
303.04358	0.2
317.06537	100.0
318.06870	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	317.0653
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
65.03926	1.0
68.21474	0.2
68.99779	0.8
69.03421	0.3
69.10944	0.2
69.28688	0.9
69.29119	1.1
71.14826	0.2
78.74551	0.2
81.03400	0.3
92.02612	3.7
93.03400	3.1
93.07005	0.2
93.83273	0.2
94.04217	0.2
95.04966	0.2
96.49183	0.2
98.20783	0.5
107.04935	0.3
109.02866	0.4
109.45840	0.2
111.00764	0.4
121.02843	1.9
122.03606	0.4
123.04421	0.4
124.01565	0.3
126.03119	0.9
133.02812	0.3
135.04303	0.2
135.42151	0.2
137.02303	1.2
137.05927	0.2
139.03903	1.6
145.06465	0.4
149.02235	0.2
150.61417	0.2
151.03889	1.4
153.01814	19.1
154.02240	0.2
155.04909	0.5
161.06029	0.3
163.03883	0.5
165.01778	1.1
165.05423	0.2
172.05287	0.2
173.05988	0.5
177.01814	0.2
177.05457	0.8
179.03383	0.3
183.02995	0.3
183.04417	0.4
187.03906	0.3
189.05464	0.2
190.06328	0.2
197.60083	0.2
200.04672	0.7
201.05501	1.8
203.03325	1.6
205.04962	0.3
215.03374	0.2
217.04967	3.4
218.02159	0.3
218.05722	1.2
219.02884	0.7
228.04147	3.7
229.04942	7.7
231.02837	1.1
232.03583	0.3
233.04382	0.2
239.03401	0.4
241.77754	0.2
243.06531	0.3
245.04451	4.1
246.05209	3.9
256.03754	0.3
257.04434	4.4
258.05084	0.2
260.03168	0.8
261.07565	0.4
271.06192	0.2
271.09747	0.4
273.03900	3.7
273.06696	0.3
274.04700	6.4
284.03195	1.0
285.03903	7.4
286.04626	0.3
287.01770	0.4
288.06131	0.3
289.03354	0.6
301.03326	0.4
302.04187	22.0
303.04532	0.7
317.06531	100.0
318.06900	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	316.2845
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03946	0.6
53.10984	0.4
55.05516	5.4
56.05043	3.8
57.03429	0.6
57.07080	2.5
57.85149	0.4
60.04524	100.0
65.03941	0.5
67.05504	8.6
68.05032	0.7
69.07066	5.6
70.06585	1.2
71.04988	0.4
71.08624	1.1
72.04505	2.1
74.06078	2.7
79.05485	4.3
80.05023	1.2
81.07056	8.2
82.06580	1.3
83.04982	0.5
83.08622	3.9
84.08199	0.4
86.06071	0.9
87.04456	3.8
88.07635	1.3
90.05577	1.0
91.05482	2.8
93.07034	3.6
94.06576	1.0
95.04960	1.0
95.08603	7.6
96.08121	0.8
97.06593	0.5
97.10176	1.7
98.06077	0.9
102.05531	0.5
102.09203	0.4
105.07024	1.7
107.08610	2.0
109.10149	3.6
111.11767	0.5
112.07616	0.7
116.98674	0.5
119.08588	1.8
121.10134	1.4
123.11703	1.4
131.08482	0.5
133.10149	1.0
135.11736	0.8
137.09637	1.4
146.79935	0.5
147.11650	0.5
151.07544	0.7
184.32712	0.4
212.23701	1.0
219.21159	0.5
245.22810	0.7
250.25363	1.1
256.26355	1.7
262.25327	1.7
268.26337	0.7
280.26346	12.9
280.29291	0.8
298.27402	10.8
299.27682	0.7
316.28464	36.8
317.06610	0.6
317.21039	0.9
317.28836	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01860	3.9
55.05498	3.9
56.96554	1.6
57.07075	1.1
58.06596	14.7
65.03945	1.5
67.05499	7.3
68.99793	2.9
69.03423	4.0
69.07062	5.3
70.06589	100.0
71.06913	1.1
71.60111	1.8
79.05493	4.8
81.03407	2.3
81.07052	7.8
82.03774	0.9
83.01324	1.6
83.04984	5.4
83.08595	2.2
85.02888	2.0
85.45182	1.1
91.05488	4.5
93.07045	4.1
94.54102	1.0
95.04941	3.4
95.08604	7.2
96.08134	1.4
97.02888	1.6
97.06527	3.5
103.05478	1.4
105.07010	3.6
107.04967	4.4
107.08591	3.8
108.08092	1.9
109.02857	2.0
109.06483	1.6
109.10159	4.2
111.04421	1.5
117.07057	1.6
119.04906	2.3
119.08593	1.3
121.02869	1.4
121.06518	4.2
121.10134	3.1
123.04423	8.1
131.04939	2.0
133.06448	1.4
133.10130	1.5
135.04420	3.2
135.08026	1.4
135.11702	1.6
137.02342	4.8
137.05986	4.0
139.04002	1.1
141.22185	1.1
145.47685	1.0
147.04428	8.0
148.04741	2.1
149.05942	1.2
149.13260	2.0
151.03932	3.7
151.07558	1.6
153.01793	8.0
153.05463	2.5
154.02170	7.6
161.05937	1.8
161.13301	1.2
163.03914	4.2
163.07570	1.8
165.05496	7.1
165.06848	2.2
167.03419	6.2
167.07062	2.0
167.08423	1.5
175.03891	2.3
176.04272	3.4
177.05484	4.0
179.03442	5.6
179.08554	1.1
181.04944	7.8
182.07217	2.2
191.07140	1.1
195.06580	2.5
196.06883	3.9
197.04416	7.3
197.06020	1.1
197.09644	2.5
203.03485	5.4
204.03749	12.5
210.06619	1.5
215.05315	1.2
215.07152	2.2
223.20557	1.3
225.05627	1.3
225.09026	5.1
236.10609	1.4
241.08237	1.1
242.05400	1.1
243.06448	4.1
243.10228	5.5
245.22687	1.4
253.08438	2.0
256.10504	2.2
257.08157	1.8
257.11728	4.8
262.25403	6.6
263.23691	1.7
270.08429	2.2
271.06003	3.7
271.09650	7.0
272.20132	3.0
274.04886	2.1
280.26355	39.5
281.26990	1.7
284.09979	3.9
285.11157	6.0
288.05914	1.5
298.27408	51.5
299.09119	4.3
299.12619	1.5
299.27826	2.3
301.06555	1.8
316.05328	33.8
316.08966	7.4
316.12686	4.3
316.22629	3.6
316.28311	1.4
317.06622	54.7
317.10229	8.6
317.13687	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	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28571	0.7
52.27042	0.8
53.03934	2.0
55.01869	1.9
55.05510	1.3
56.96564	18.5
57.03437	6.9
61.02923	8.5
62.09395	0.9
67.05508	2.9
69.03428	10.1
69.07037	0.7
69.37119	7.9
70.06601	2.6
70.98126	2.3
71.01349	0.9
71.04982	3.5
73.02912	6.7
81.03422	6.1
81.07072	1.4
83.04990	1.0
84.08154	2.2
84.96017	2.4
85.02898	25.4
86.09739	0.9
87.04490	2.8
91.03938	1.9
91.05479	18.9
93.05776	1.2
95.02475	0.8
95.04976	0.9
96.01581	0.8
97.02888	10.3
98.97586	10.1
99.04465	3.4
101.00871	2.9
101.02380	1.8
103.02370	1.3
107.04981	1.8
108.08118	6.1
109.02880	4.6
109.03545	1.1
109.06510	2.3
110.01276	1.5
110.97578	1.4
115.03943	1.5
116.98625	7.0
118.06548	1.5
119.01898	8.5
119.04931	10.1
120.02022	1.9
121.01642	1.2
123.06832	1.2
124.05206	1.6
124.07611	1.5
127.01579	1.5
127.03899	5.4
128.02328	2.5
128.98586	4.1
130.08629	1.0
131.00185	2.0
131.01874	2.4
131.04947	1.2
133.01723	0.9
133.03487	2.8
134.99667	3.9
136.07574	84.9
137.05975	100.0
138.05438	1.3
138.06406	1.0
138.09163	0.8
138.12036	0.9
139.02681	0.8
140.02304	1.6
142.96454	1.1
144.99826	3.7
145.03503	2.2
145.04985	2.7
145.99933	5.4
146.99565	5.5
147.01358	1.4
147.03209	1.3
149.01213	1.8
149.02948	4.3
149.08347	1.0
150.01778	0.9
152.07057	1.5
153.01845	1.3
154.05025	1.6
154.06068	6.4
154.08621	69.2
155.00075	0.8
158.99646	1.7
160.97600	1.4
161.01241	2.6
161.02963	2.6
163.02779	1.3
163.04509	2.1
164.01003	1.0
164.07152	3.4
165.00662	2.1
165.07468	7.6
167.04068	1.4
169.03125	0.9
170.05215	3.1
172.99432	0.9
173.01225	1.8
173.99416	1.3
174.99081	1.5
175.02740	1.0
177.00696	3.7
177.02489	2.5
177.04335	0.9
178.02675	1.3
178.05020	2.0
180.07805	1.5
184.04829	1.6
186.04340	1.2
187.04504	1.0
188.97073	1.5
189.00700	2.4
189.02446	1.8
189.05997	1.1
190.98724	1.4
191.00429	1.3
191.02138	1.7
191.03964	1.1
192.00533	1.8
192.02834	1.6
198.04648	1.2
203.07729	0.9
204.02887	1.9
204.05470	1.2
205.00198	1.3
205.01985	1.7
205.03822	1.3
206.02188	1.7
206.07086	3.1
206.98216	1.8
207.01740	1.9
207.03532	2.3
213.03409	2.8
213.05205	2.0
215.00374	1.5
219.01837	2.2
221.05190	1.1
222.03906	1.7
223.04852	1.0
224.08049	3.6
226.02466	1.2
228.05498	1.1
232.99571	1.2
235.08586	1.8
237.02911	2.4
243.00076	1.0
246.01727	1.0
246.06622	1.5
257.01349	1.2
272.08194	0.8
274.01328	1.8
274.06000	2.5
275.02866	2.0
285.00897	1.0
302.05676	1.1
316.10812	2.1
316.13965	36.0
320.06299	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.84690	3.0
57.03429	3.7
60.04528	16.4
69.03412	8.6
70.06595	5.8
71.58473	5.9
75.95602	2.9
79.01859	4.9
79.05489	6.0
81.03423	10.3
82.03761	5.1
83.06226	3.2
83.36399	3.0
84.04505	20.8
85.02892	9.0
86.06042	3.5
91.05479	14.0
93.07052	4.2
95.04972	7.6
97.02881	3.3
98.03278	3.3
105.07039	6.0
107.04941	63.8
107.05617	5.2
107.07335	7.5
108.08102	5.9
109.02870	9.0
109.06516	4.5
110.06032	4.9
111.04464	6.5
113.38094	3.0
115.05476	3.3
119.04910	40.9
120.08077	9.2
121.02824	3.2
121.06494	9.6
121.08861	4.4
123.04414	15.8
123.06796	5.0
124.07597	5.4
125.02378	8.4
126.05490	29.1
127.03943	8.5
128.04272	4.6
131.04951	4.8
132.08025	3.3
133.06477	14.7
134.03723	4.9
134.05997	11.1
135.04440	15.2
136.07594	9.7
137.05945	8.1
138.05521	4.6
143.03419	7.6
144.03726	7.1
145.02859	3.8
145.06487	9.4
147.04405	78.9
148.07576	15.8
149.05972	14.8
149.08342	64.7
150.06714	6.1
150.09097	6.5
151.03941	9.7
152.07054	8.2
153.01820	100.0
153.02754	3.6
154.02148	96.4
155.02235	3.6
160.07559	4.3
161.05948	22.0
163.03894	32.2
163.07545	4.9
165.05476	7.2
166.08615	4.0
171.02831	4.5
173.06038	4.1
175.03951	12.3
176.07060	8.6
178.08618	9.5
179.03365	7.7
182.43694	3.6
186.06998	3.4
188.07069	7.8
189.05505	22.1
190.04935	4.5
190.08499	5.3
191.03407	33.2
191.07051	7.2
193.04941	22.0
198.07594	5.1
202.90173	3.3
205.04965	8.0
206.08104	6.2
207.06538	5.2
208.09665	28.2
209.04457	9.6
209.08102	6.1
211.05972	6.3
213.03992	4.0
216.06516	4.3
217.04964	6.3
222.07571	25.8
223.06082	3.8
223.08339	5.5
224.09109	10.2
235.02386	4.7
235.06015	46.8
236.09010	5.0
252.08821	3.4
253.07167	7.8
256.08191	7.7
270.09711	9.0
272.07666	13.3
281.06580	14.2
288.07153	8.5
291.22531	3.3
298.06036	5.4
298.09219	71.3
299.04410	4.9
299.07233	17.2
316.10352	77.8
317.04968	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	315.1224
Annotation	Syzygiol
Peak:m/z	Relative Intensity
56.34902	0.2
59.99391	0.2
65.03973	0.3
67.05494	0.4
69.45005	0.4
69.45412	1.5
79.05485	0.6
81.07037	0.5
82.04198	0.2
83.01323	1.3
83.04966	0.4
91.05486	0.7
93.07023	0.4
95.04967	0.5
96.05742	0.4
96.94343	0.2
106.25523	0.2
107.04935	0.6
109.06514	1.3
110.03600	0.4
111.04455	0.2
119.04958	1.6
121.06519	0.5
123.04426	0.5
124.05192	3.9
125.05994	0.4
132.10168	0.2
137.05954	0.7
139.03905	2.4
147.04402	2.4
149.02336	0.4
152.04674	3.4
165.05470	1.3
167.03398	14.7
167.07065	0.6
168.03802	0.3
179.03432	0.3
180.04172	7.0
181.04709	0.2
195.06520	100.0
196.06883	1.7
198.05246	3.5
219.78406	0.3
300.09610	0.3
315.12244	16.8
316.12674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1223
Annotation	Syzygiol
Peak:m/z	Relative Intensity
51.03415	0.1
53.03931	0.1
53.70589	0.1
55.01868	0.2
57.87669	0.1
58.30227	0.1
62.00673	0.1
67.05493	0.3
67.11030	0.1
69.03415	0.3
70.04963	0.5
79.05473	0.4
81.03394	0.2
81.07041	0.6
82.04185	0.2
83.01336	1.5
83.04961	0.3
89.50239	0.1
91.05479	0.9
93.07021	0.3
95.04944	0.4
96.05727	0.4
97.02898	0.2
97.06493	0.2
101.01790	0.1
105.07012	0.2
106.83797	0.1
107.04935	0.6
109.02871	0.2
109.06505	1.6
110.03634	0.2
111.04410	0.2
111.08022	0.2
113.25995	0.1
119.04931	0.8
121.06485	0.3
123.04420	0.4
124.05202	3.2
125.05966	0.5
127.03902	0.1
137.05945	1.0
139.03891	2.0
139.07497	0.3
147.04401	2.3
149.06004	0.2
152.04672	2.9
153.01810	1.6
154.02107	0.1
165.05452	1.2
167.03391	13.7
167.07079	0.8
168.03664	0.3
179.03395	0.4
180.04164	6.7
181.04718	0.3
195.06514	100.0
196.06863	2.0
198.05214	4.4
215.60390	0.1
241.08620	0.2
283.09610	0.2
297.06076	0.1
299.08981	0.2
300.09592	0.2
315.12225	24.0
316.12616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1224
Annotation	Syzygiol
Peak:m/z	Relative Intensity
55.01858	0.3
57.02278	0.1
65.25521	0.1
67.05508	0.1
69.03418	0.3
69.48975	0.8
69.49397	0.4
74.37896	0.1
79.05492	0.3
81.03407	0.2
81.07059	0.6
83.01335	1.3
83.04964	0.4
91.05485	0.8
93.07037	0.2
95.04972	0.5
96.05739	0.4
97.06506	0.1
107.04936	0.7
109.02863	0.3
109.06503	1.5
110.03627	0.2
111.04449	0.2
119.04939	1.1
121.06487	0.3
123.04418	0.5
124.05202	3.1
125.05977	0.3
137.05966	0.7
139.03877	2.3
139.07494	0.4
143.03426	0.1
147.04401	2.1
151.07443	0.1
152.03415	0.2
152.03711	0.1
152.04666	4.0
153.01820	1.3
165.05447	1.2
167.03395	13.7
167.07024	0.6
168.03790	0.3
178.41615	0.2
179.03351	0.3
180.04164	7.9
181.04665	0.2
195.06520	100.0
196.06847	2.0
198.05229	3.4
198.06949	0.3
199.08618	0.1
210.61031	0.1
299.09164	0.2
300.09814	0.2
303.04956	0.2
315.12238	24.6
316.12698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1225
Annotation	Syzygiol
Peak:m/z	Relative Intensity
51.19776	0.3
53.03934	0.4
55.01865	0.3
56.96569	0.4
57.88077	0.3
59.04504	0.3
61.09907	0.3
63.92036	0.3
67.05499	1.0
79.05489	1.4
81.03416	0.6
81.07027	0.7
83.01299	0.3
83.04981	0.5
85.02881	0.3
91.05473	2.4
93.07049	0.3
94.04191	0.5
95.04970	1.0
95.08592	0.3
97.06546	0.3
98.20667	0.5
98.97587	0.4
101.07011	0.3
105.07027	0.3
107.04956	1.1
109.02827	0.6
109.06519	1.1
111.08107	0.2
112.05222	1.0
112.45586	0.2
116.98615	0.4
119.04941	5.4
121.10114	0.4
123.04428	1.2
124.05222	0.7
125.05971	0.4
127.03896	0.3
131.04846	0.3
134.99644	0.6
135.04414	0.5
137.05948	0.8
139.07520	0.9
141.10378	0.2
147.04413	11.2
152.04677	4.1
153.01811	3.3
154.02498	0.4
155.07010	0.4
159.19016	0.3
165.05482	1.1
167.03496	0.5
167.07025	0.5
180.04176	3.1
195.06520	100.0
196.06857	1.9
198.05232	7.9
213.07561	0.3
214.17928	0.2
273.11212	0.4
283.09506	0.6
315.12225	43.5
316.12689	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1224
Annotation	Syzygiol
Peak:m/z	Relative Intensity
52.03521	0.4
53.03931	0.6
54.11896	0.4
55.01861	0.6
65.03921	0.6
67.05488	1.6
69.81710	1.8
69.82123	0.7
74.16700	0.3
79.05473	1.2
81.07032	0.4
91.05479	8.7
95.04959	2.9
97.22581	0.4
98.21466	0.6
107.04949	5.5
111.04490	0.5
119.04937	18.6
121.02870	0.7
121.06483	1.4
123.04398	2.8
124.05196	3.1
130.61404	0.4
135.04456	0.7
139.03897	1.4
139.07509	1.1
147.04404	49.5
148.04817	0.5
149.05962	0.5
152.04645	3.4
163.03839	1.0
167.03384	7.5
167.07010	1.4
167.08357	0.4
169.04924	0.4
179.03348	0.6
180.04175	1.5
181.04951	1.0
189.05464	0.6
193.05009	0.4
193.08499	0.9
195.06526	100.0
196.06813	1.8
198.05209	0.5
211.07600	0.4
213.07590	1.3
315.12247	88.8
316.12622	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17728	0.5
55.41850	0.5
56.96531	0.6
67.05451	1.3
67.76641	0.5
69.07016	0.6
69.33341	1.2
69.33747	4.3
72.08136	0.8
77.81413	0.5
79.01864	0.6
81.03392	0.7
81.06995	0.8
86.81761	0.5
89.75134	0.6
91.05419	0.7
93.07023	1.2
94.04130	0.8
95.08594	0.8
96.80379	0.5
98.97574	0.8
102.26447	0.6
105.06958	0.7
107.04883	0.9
107.08482	0.7
109.02776	0.7
121.02863	6.1
134.99590	1.1
135.08067	0.7
147.04333	1.2
151.03845	1.5
153.00716	0.5
153.01843	3.3
188.04625	1.4
195.06467	1.9
197.05972	0.7
198.06720	1.0
203.12538	0.6
213.03844	1.0
215.03288	0.6
223.07742	0.6
226.06227	2.0
227.06984	1.7
229.04913	1.8
243.06458	2.6
244.07294	0.9
254.05678	1.9
255.06519	1.6
257.04446	1.9
271.06027	4.3
272.06793	10.9
283.06128	1.3
299.05499	27.5
300.06265	78.8
301.06686	1.1
315.08600	100.0
316.08917	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	315.1222
Annotation	Syzygiol
Peak:m/z	Relative Intensity
55.01886	0.2
66.04709	0.2
67.04889	0.2
67.05485	0.5
68.06560	0.2
68.99777	0.4
79.05488	1.0
80.05850	0.2
81.03389	0.2
81.07038	0.3
86.68294	0.2
91.05505	1.0
93.03400	0.6
94.04113	0.2
95.04972	1.1
96.05744	0.6
97.06519	0.4
107.04973	1.6
108.05711	0.3
109.02877	0.3
109.06509	1.7
111.04433	1.7
111.08060	0.2
119.04942	1.1
121.02885	0.3
122.03647	0.5
123.04394	0.6
124.05205	1.8
125.05983	0.8
132.81549	0.2
135.04385	0.5
137.06001	0.9
139.03893	4.4
139.07530	0.7
140.44141	0.2
147.04408	2.7
150.03139	0.5
151.03888	0.8
152.04692	2.4
163.03870	0.2
165.05489	2.2
167.03394	8.9
167.07013	1.2
168.03853	0.3
179.03401	0.6
180.04175	5.4
181.04916	0.3
195.06519	100.0
196.06850	1.8
197.04475	0.2
198.05257	1.9
299.09253	0.2
315.12234	24.1
316.12576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.086
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
50.17728	0.5
55.41850	0.5
56.96531	0.6
67.05451	1.3
67.76641	0.5
69.07016	0.6
69.33341	1.2
69.33747	4.3
72.08136	0.8
77.81413	0.5
79.01864	0.6
81.03392	0.7
81.06995	0.8
86.81761	0.5
89.75134	0.6
91.05419	0.7
93.07023	1.2
94.04130	0.8
95.08594	0.8
96.80379	0.5
98.97574	0.8
102.26447	0.6
105.06958	0.7
107.04883	0.9
107.08482	0.7
109.02776	0.7
121.02863	6.1
134.99590	1.1
135.08067	0.7
147.04333	1.2
151.03845	1.5
153.00716	0.5
153.01843	3.3
188.04625	1.4
195.06467	1.9
197.05972	0.7
198.06720	1.0
203.12538	0.6
213.03844	1.0
215.03288	0.6
223.07742	0.6
226.06227	2.0
227.06984	1.7
229.04913	1.8
243.06458	2.6
244.07294	0.9
254.05678	1.9
255.06519	1.6
257.04446	1.9
271.06027	4.3
272.06793	10.9
283.06128	1.3
299.05499	27.5
300.06265	78.8
301.06686	1.1
315.08600	100.0
316.08917	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	315.0861
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
53.03940	0.1
55.01866	0.2
62.06101	0.1
65.03924	0.5
67.05491	0.2
68.99788	0.1
69.03411	0.1
69.69706	0.1
69.70116	0.3
70.35860	0.1
76.05015	0.1
79.05494	0.7
81.07054	0.2
83.01339	1.8
83.04975	0.2
91.05461	0.3
95.04961	0.5
97.02867	0.2
97.06541	0.2
98.20820	0.1
100.95070	0.1
103.05461	0.1
105.03383	0.8
107.04942	1.0
109.02856	0.1
109.06516	0.8
111.04435	0.6
119.04921	0.2
121.02862	6.9
121.03872	0.3
121.06531	0.1
125.05987	0.2
129.07025	0.2
131.04910	0.1
131.08423	0.1
132.05232	0.1
133.02849	0.4
133.06453	0.1
135.04388	0.4
135.07941	0.1
137.02330	0.1
137.05960	1.3
139.03845	0.1
141.06950	0.1
142.07759	0.2
145.06461	0.2
147.04385	0.8
147.05504	0.1
149.05992	0.1
151.03914	0.2
152.06203	0.2
153.01822	0.1
153.05457	0.2
154.06264	0.2
154.07680	0.1
157.06488	0.5
157.10120	0.2
161.06073	0.1
165.05473	0.9
165.06816	0.2
166.07790	0.1
167.08632	0.3
169.05011	0.1
169.06456	0.1
170.07243	0.3
171.04347	0.1
171.08041	0.1
175.03902	0.2
175.07541	0.1
177.07011	0.1
179.03406	0.3
181.04951	9.1
182.05356	0.1
182.07265	0.2
183.08133	0.1
185.05971	0.3
185.09602	0.7
187.07579	0.1
188.08318	0.1
193.04953	3.7
193.98683	0.1
195.06516	0.2
195.08052	0.6
196.08835	0.1
197.04402	0.2
197.06017	0.3
198.06744	1.0
210.06851	0.1
211.07675	0.1
212.08330	0.2
213.05525	0.2
213.09096	0.9
221.04454	0.1
222.05258	0.1
223.07462	0.3
224.08389	0.1
225.09105	0.1
226.06160	0.3
227.06966	0.1
229.08548	0.1
231.10243	0.2
240.07808	0.2
241.08588	2.2
241.11020	0.1
243.06538	0.2
244.07381	0.2
251.06961	0.1
254.05840	0.1
255.06679	0.1
256.07434	0.1
257.08170	0.5
259.09726	0.4
268.07288	0.1
269.08072	1.3
270.08716	0.1
271.06015	0.2
271.09668	0.2
272.06763	0.2
285.07623	0.2
286.08347	1.8
287.09131	0.6
297.07510	0.2
299.05350	0.4
300.06226	0.4
313.07053	1.7
314.07941	0.2
315.08588	100.0
316.08911	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.2
55.01854	0.3
55.05494	0.2
58.34240	0.1
64.20435	0.1
65.03928	0.5
67.05489	0.4
68.99758	0.2
69.03405	0.4
69.07038	0.1
69.52863	0.4
69.53290	0.6
70.90076	0.1
72.04536	0.1
79.01819	0.2
79.05493	0.6
81.03429	0.6
81.07034	0.4
83.01340	1.7
83.04997	0.2
85.02888	0.3
91.05479	0.5
95.04960	0.4
95.84362	0.1
96.10543	0.1
97.02870	0.4
97.03455	0.1
98.21455	0.2
103.05437	0.2
105.03391	0.8
107.01321	0.1
107.04938	1.4
109.02885	0.5
109.06499	0.7
110.13755	0.1
111.04432	0.5
115.05422	0.1
116.26855	0.1
119.04920	0.4
121.02859	6.5
123.04419	0.3
124.05218	0.3
125.02374	0.2
125.05997	0.3
127.03905	0.4
129.06992	0.1
131.04874	0.2
133.02826	0.3
135.04388	0.4
137.02321	0.2
137.05962	1.3
139.03871	0.3
141.06992	0.1
142.07787	0.1
143.03377	0.4
145.06476	0.2
147.04387	1.0
147.07971	0.1
151.03920	0.2
152.04665	0.2
152.06221	0.2
153.01825	5.8
153.02861	0.2
153.05457	0.3
154.06223	0.2
157.06493	0.4
157.10182	0.1
161.06013	0.3
163.03896	0.3
165.05466	1.0
165.06972	0.2
167.03381	1.1
167.07263	0.1
167.08572	0.4
169.06439	0.2
170.07179	0.2
171.02843	0.3
171.04213	0.1
175.03929	0.2
175.07484	0.2
177.06827	0.2
179.03386	0.4
180.04144	0.5
181.04948	8.4
185.05934	0.2
185.09587	0.6
189.05818	0.1
193.04950	3.5
194.05611	0.1
195.06525	8.3
195.08011	0.5
197.06073	0.2
198.05219	0.3
198.06758	0.8
199.07515	0.2
209.04564	0.1
211.07602	0.2
213.09164	1.0
219.06670	0.2
221.04305	0.1
226.06252	0.4
227.06924	0.1
231.10089	0.3
239.07133	0.2
240.07672	0.2
241.08594	1.9
243.06567	0.2
251.08044	0.3
257.08047	0.5
259.09698	0.7
265.08545	0.1
269.08017	1.1
270.09033	0.1
271.09604	0.2
272.06790	0.2
278.24731	0.3
279.07626	0.2
283.09424	0.5
285.07523	0.1
286.08377	1.7
287.08987	0.6
296.25769	0.2
297.08588	0.3
297.26147	0.3
299.05444	0.3
300.06226	0.4
313.07040	1.5
314.07864	0.2
314.26852	1.8
315.08597	100.0
315.27142	1.6
316.08899	1.7
338.24991	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	315.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48462	0.1
53.03924	0.2
55.01859	0.1
55.06059	0.1
57.69297	0.1
65.03934	0.5
67.05491	0.2
68.99755	0.1
69.03410	0.2
69.51116	0.6
69.51538	0.2
79.05486	0.5
81.03384	0.2
81.07033	0.2
83.00883	0.2
83.01334	2.0
83.04959	0.1
91.05467	0.4
95.04956	0.5
97.02907	0.2
97.06527	0.1
105.03409	0.8
107.04391	0.1
107.04958	1.1
109.02880	0.2
109.06509	0.8
111.04433	0.7
119.04939	0.3
121.02857	7.0
121.06474	0.1
123.04399	0.1
125.05972	0.2
128.06221	0.1
129.06984	0.3
131.04930	0.1
133.02818	0.3
135.04396	0.3
135.65787	0.1
136.05234	0.1
137.02303	0.1
137.05962	1.3
139.03926	0.1
141.01851	0.1
141.06979	0.2
142.07762	0.1
144.05702	0.1
145.06340	0.1
147.04416	1.1
149.05998	0.1
151.03900	0.3
152.04832	0.1
152.06189	0.2
153.01778	0.8
153.05452	0.2
154.06259	0.2
157.06505	0.5
157.10168	0.2
161.05986	0.1
165.05450	0.8
165.06888	0.2
166.07729	0.1
167.03392	0.3
167.08607	0.4
169.05006	0.1
169.06494	0.1
170.07251	0.3
175.03926	0.2
175.07526	0.2
177.05545	0.1
179.03387	0.3
180.04256	0.1
181.04942	9.1
182.07236	0.2
183.08003	0.1
185.05981	0.4
185.09612	0.6
188.08034	0.1
191.07069	0.1
193.04951	3.7
194.05672	0.2
194.07266	0.2
195.06499	1.9
195.08081	0.6
197.04419	0.1
197.06001	0.2
197.09631	0.1
198.06750	0.9
200.08292	0.1
201.05406	0.1
203.03360	0.2
211.07448	0.1
212.08286	0.1
213.05635	0.2
213.09106	0.9
216.07581	0.1
221.04510	0.1
222.05179	0.1
223.07539	0.3
225.09038	0.1
226.06204	0.4
227.06940	0.1
231.06529	0.2
231.10123	0.2
240.07745	0.2
241.08577	2.3
243.06499	0.2
244.07256	0.2
245.07898	0.1
251.06857	0.2
255.06557	0.1
257.08081	0.5
258.08929	0.1
259.09644	0.9
267.06433	0.1
268.07248	0.1
269.08047	1.3
270.08899	0.1
271.06024	0.2
271.09653	0.2
272.06805	0.2
285.07697	0.1
286.08328	1.8
287.05624	0.2
287.09082	0.6
297.07480	0.2
299.05508	0.3
300.06345	0.4
313.07007	1.5
314.07697	0.1
315.08582	100.0
316.08951	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	315.0861
Annotation	KOPARIN 2'-METHYL ETHER
Peak:m/z	Relative Intensity
53.03934	0.3
53.10567	0.1
55.01863	0.3
55.05501	0.1
56.96550	0.2
57.03430	0.2
57.07065	0.1
63.70102	0.1
65.03938	0.5
65.13042	0.1
65.78834	0.1
67.05499	0.7
68.99783	0.1
69.03423	0.5
69.07068	0.2
69.70023	0.6
70.35303	0.1
72.46121	0.1
77.03947	0.1
79.01852	0.3
79.05492	0.9
80.05002	0.2
81.03413	0.6
81.07043	0.6
82.06545	0.1
83.00890	0.1
83.01342	1.7
83.04984	0.2
85.02915	0.5
90.74893	0.1
91.05478	0.5
93.07020	0.2
94.06587	0.1
95.04976	0.6
95.08612	0.2
97.02887	0.4
97.06509	0.2
103.05436	0.1
105.02740	0.1
105.03366	0.7
105.07033	0.2
107.01330	0.1
107.04951	1.5
107.08577	0.1
109.02195	0.1
109.02830	0.4
109.06490	0.8
109.10143	0.1
111.04440	0.8
115.05445	0.1
119.04939	0.4
121.02861	6.9
121.03888	0.3
123.04414	0.3
124.05210	0.2
125.02332	0.3
125.06000	0.2
127.03901	0.4
129.06964	0.2
131.04900	0.3
133.02837	0.3
133.06508	0.1
135.04393	0.3
137.02336	0.1
137.05975	1.2
139.03897	0.2
141.01834	0.1
141.06979	0.1
142.07758	0.1
143.03445	0.5
143.08545	0.1
144.05714	0.2
145.06454	0.2
147.04424	1.1
149.06004	0.2
151.03868	0.3
152.04654	0.1
152.06180	0.2
153.01820	6.1
153.02797	0.2
153.05391	0.2
153.06761	0.1
154.06223	0.2
155.05943	0.1
155.07137	0.1
157.06511	0.4
157.10124	0.1
159.11783	0.1
161.05952	0.4
163.03966	0.3
165.05473	0.9
165.07002	0.3
167.03398	1.0
167.05838	0.1
167.07262	0.1
167.08472	0.5
169.06462	0.2
170.07207	0.2
171.02893	0.2
171.04286	0.1
175.03886	0.2
175.07462	0.2
177.05505	0.1
177.06972	0.2
178.07727	0.1
179.03403	0.3
180.04227	0.5
181.04950	8.6
182.07246	0.1
183.05554	0.1
185.05998	0.3
185.09554	0.5
191.03398	0.1
193.04951	3.8
194.05666	0.1
194.07237	0.1
195.06532	6.9
195.08064	0.6
196.05255	0.1
197.04413	0.2
197.06020	0.2
198.05205	0.3
198.06769	0.9
199.07573	0.1
205.06514	0.1
211.07584	0.2
212.08308	0.2
213.05345	0.2
213.09138	0.8
221.97165	0.1
223.07608	0.4
225.09180	0.1
226.06252	0.4
231.09972	0.1
240.07785	0.3
241.08568	2.1
243.06418	0.2
244.07315	0.2
251.08328	0.5
251.25667	0.1
255.07857	0.1
255.10222	0.2
257.08176	0.5
259.09705	0.6
260.23636	0.1
265.08643	0.2
269.07947	1.2
270.08685	0.1
271.06061	0.2
271.09741	0.2
272.06628	0.2
278.24805	0.4
279.07571	0.3
279.25259	0.3
283.09695	0.7
285.07590	0.4
286.08374	1.8
287.09198	0.8
296.25879	0.5
297.08807	0.8
297.26254	0.5
299.05539	0.3
300.06281	0.4
313.07065	1.5
314.26895	2.7
315.08603	100.0
315.27148	2.4
316.08981	1.7
316.12534	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	315.0858
Annotation	Pisatin
Peak:m/z	Relative Intensity
51.02379	0.9
51.23377	0.4
53.03933	1.1
55.01866	0.7
55.05500	0.8
57.03421	0.4
67.01859	0.6
67.05502	1.4
69.03427	4.6
69.07062	0.5
69.40529	0.8
69.40938	2.5
70.06557	0.5
71.04977	0.5
75.82526	0.4
77.03932	0.8
79.01847	4.2
81.03415	7.2
81.07045	0.7
85.02908	4.3
91.05466	0.4
93.07025	0.5
95.04964	1.6
95.08590	0.4
96.08131	0.8
97.02882	1.8
105.03374	2.0
105.07006	0.8
107.01292	2.0
108.08161	0.4
109.02877	4.7
111.51662	0.4
113.86118	0.4
123.04425	100.0
125.02334	4.0
127.03917	5.5
137.05994	1.2
141.60721	0.4
143.03400	6.6
147.04381	0.9
153.01825	83.3
153.02795	3.2
154.02182	0.9
161.06003	0.5
171.02893	3.9
179.31575	0.4
187.61464	0.4
192.04195	1.3
193.04958	33.8
194.05247	0.6
194.07036	0.4
195.06558	0.5
199.75972	0.4
252.23595	0.4
269.08002	0.4
269.30560	0.5
278.24808	0.7
279.25140	1.2
283.09708	1.3
296.25916	2.3
297.05997	3.4
297.11264	0.7
297.26120	1.6
303.05118	0.8
314.26883	10.7
315.08624	56.8
315.27197	9.1
316.08875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0711
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02364	0.5
53.03936	1.2
55.01855	0.9
56.96561	0.8
57.03434	1.5
61.02909	1.1
61.57211	0.3
69.03075	0.4
69.03430	5.7
69.56090	1.8
69.56498	0.8
71.04979	0.4
73.02916	0.6
79.01852	5.2
81.03412	10.5
83.01308	0.3
84.96035	0.3
85.02900	6.5
87.00797	0.4
93.86754	0.3
97.02888	3.5
99.04432	1.5
101.52441	0.3
107.01302	2.2
107.04967	0.7
109.02869	6.5
110.30040	0.3
119.01958	0.7
121.47894	0.3
125.02341	5.0
127.03918	5.6
131.04970	0.5
134.06000	0.4
136.07573	0.4
137.05945	0.4
143.03391	9.2
144.99840	1.8
153.01820	100.0
153.02785	3.7
154.02216	0.8
156.97475	0.6
163.00925	0.5
163.08600	0.6
164.07057	4.3
171.02887	5.3
172.99278	0.6
174.98650	0.6
177.02469	0.8
181.09689	0.4
191.00424	0.5
198.98582	0.7
205.01913	0.6
216.99519	0.5
245.01239	0.6
253.07892	0.5
269.03229	0.5
276.51443	0.3
295.83649	0.3
296.44449	0.4
297.06033	4.5
297.10916	0.8
301.09598	0.4
315.03427	0.5
315.07254	0.9
333.04749	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0708
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02372	0.8
53.03946	1.4
55.01870	0.5
57.03430	0.9
69.03079	0.4
69.03430	6.1
71.04981	0.7
71.34568	0.5
73.02920	0.4
79.01847	4.7
81.03416	10.4
85.02906	4.9
97.02882	3.5
99.04429	1.0
107.01311	2.3
109.02880	6.3
125.02345	5.0
127.03915	5.7
128.07149	0.3
135.00858	0.3
143.03394	8.9
149.43596	0.3
153.01825	100.0
153.02792	3.9
154.02100	1.3
171.02904	4.6
214.72371	0.3
255.25217	0.3
276.11746	0.3
297.06042	6.1
303.23288	0.3
315.07230	0.8
319.75745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.6
53.03937	0.8
55.01859	0.9
57.03417	1.1
58.45335	0.2
64.09917	0.3
65.03928	0.3
67.05494	0.4
69.03425	4.8
71.04991	0.5
77.37289	0.3
79.01847	4.8
79.05466	0.6
80.08420	0.3
81.03415	7.7
81.07032	0.6
83.01329	0.4
85.02903	5.0
91.05462	0.4
93.07024	0.7
95.04972	0.6
95.08612	0.7
97.02873	2.5
97.06541	0.4
98.20717	0.7
99.04442	0.7
105.03409	0.5
105.07024	0.5
107.01293	2.3
107.04961	0.7
107.08577	0.6
109.02877	5.0
110.59986	0.3
116.98582	0.5
119.08642	0.3
121.02869	1.1
123.04464	0.7
125.02342	4.9
127.03917	6.1
131.04944	0.7
137.05980	0.9
139.03899	0.5
143.03391	8.8
143.77112	0.3
147.04407	1.0
151.03937	0.7
152.06178	0.4
153.01823	100.0
153.02800	3.9
154.02162	0.9
161.05965	1.2
163.03886	1.1
165.05263	0.3
165.07030	0.4
165.35150	0.3
167.03464	1.5
167.07028	0.4
171.02876	4.9
177.07005	0.4
180.04182	0.5
181.04961	1.4
193.04895	0.4
195.06535	10.1
195.08041	0.7
198.05289	0.7
199.07704	0.3
211.07501	0.3
223.07513	0.6
240.07744	0.3
253.08582	0.4
255.10152	0.8
265.08548	0.5
269.08090	1.4
283.09644	2.1
297.06030	3.6
315.05029	0.8
315.08585	10.1
315.12289	3.1
315.15118	0.4
328.89948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.5
53.03931	1.1
55.01864	0.3
57.03426	0.8
61.02905	0.4
64.93592	0.3
69.03419	4.1
70.66237	1.2
71.04954	0.4
72.80816	0.2
79.01845	4.2
81.03410	9.7
82.02332	0.3
85.02891	4.5
86.02225	0.3
87.83744	0.3
97.02881	2.5
99.04447	0.9
107.01321	1.6
109.02863	5.5
125.02347	4.1
127.03901	5.6
143.03381	6.9
153.01813	100.0
153.02794	3.9
154.02200	0.6
171.02863	5.3
175.07661	0.3
223.07530	0.6
225.09163	0.3
236.23978	0.3
259.09848	0.4
269.08136	0.5
297.05984	6.0
313.22214	0.3
315.07199	1.0
316.61877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.2
52.03182	0.4
53.03926	1.4
55.01883	1.0
55.05502	1.0
56.72787	0.3
57.03422	0.9
61.02911	0.6
66.83407	0.4
67.01868	0.4
67.05495	1.8
68.46683	0.3
69.03429	4.7
69.07070	0.7
70.06586	0.5
71.04974	0.9
71.59833	0.7
72.10026	0.4
77.03922	0.6
79.01853	4.5
79.05484	1.0
80.05016	0.4
81.02980	0.6
81.03414	8.1
81.07041	1.7
82.06596	0.4
85.02906	5.0
87.97831	0.4
91.05465	0.6
93.07040	0.8
94.06568	0.7
95.04963	1.1
95.08610	0.5
96.08124	1.0
97.02907	2.7
99.04448	1.2
105.03410	1.2
105.07024	0.7
107.01312	2.8
107.08593	0.6
108.08128	0.7
109.02873	5.8
123.04424	78.5
124.24164	0.4
125.02345	5.1
127.03914	5.5
137.05937	1.2
143.03387	8.9
153.01823	100.0
153.02797	3.8
154.02193	1.3
161.05940	0.8
165.06943	0.4
171.02870	4.8
192.04202	0.8
193.04958	28.0
240.07901	0.4
278.24893	1.8
279.25165	1.6
283.09613	1.1
296.25882	3.6
297.06110	4.1
297.26123	3.3
303.05005	0.9
314.23163	0.6
314.26877	16.7
315.08624	44.9
315.11899	1.6
315.27197	17.8
316.08939	1.2
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
51.02377	0.5
53.03935	0.9
53.04166	0.2
55.01868	0.3
57.03424	0.9
59.62374	0.2
61.02917	0.5
69.03081	0.3
69.03427	5.0
70.84930	0.8
70.85287	0.2
71.13367	0.3
79.01851	5.0
81.03413	7.1
85.02897	4.7
97.02895	2.6
99.04466	0.4
105.07082	0.3
107.01315	2.6
109.02877	4.9
125.02354	4.3
126.18533	0.3
127.03909	5.9
143.03392	8.3
145.04929	0.3
153.01820	100.0
153.02766	3.5
154.02156	0.6
171.02884	4.8
191.43227	0.2
192.25121	0.2
194.17342	0.2
226.15674	0.2
230.92299	0.2
297.06039	2.4
308.82507	0.3
312.87720	0.3
315.07312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01563	0.3
50.86957	0.3
53.03934	1.0
55.01861	0.7
55.05516	0.7
56.96561	0.8
57.03424	0.9
58.06578	0.3
65.03926	0.3
67.05481	1.2
69.03423	6.0
69.07059	0.9
70.06581	1.0
70.18417	0.7
70.18815	0.7
71.04984	0.6
79.01849	4.8
79.05478	1.2
81.03412	9.3
81.07050	1.2
85.02902	4.9
85.13777	0.3
87.00813	0.3
91.05481	0.6
93.07018	0.8
94.06544	0.4
95.04966	0.5
95.08597	1.0
96.08118	1.0
97.02894	3.0
99.04436	0.7
103.05470	0.5
105.07007	0.5
107.01321	2.3
107.04919	0.3
107.08603	0.5
109.02880	5.5
110.09682	0.4
111.04459	0.4
116.98602	0.5
118.42473	0.3
119.08614	0.5
121.02876	0.5
121.10131	0.5
125.02328	5.0
127.03909	5.0
131.00089	0.3
131.04970	0.7
131.08498	0.4
137.02365	0.6
137.05980	1.2
143.03380	8.7
147.04419	0.7
152.06180	0.4
153.01820	100.0
153.02795	3.9
154.02162	1.1
161.01234	0.5
161.05908	1.1
167.03423	0.5
167.07072	0.4
171.02881	4.1
173.01147	0.3
180.04128	0.3
181.06532	0.3
181.95123	0.3
195.02850	0.5
195.06493	5.5
195.08038	0.7
198.01703	0.3
201.05525	0.4
205.08910	0.3
219.01816	0.4
223.07555	0.6
237.09077	0.4
240.07832	0.6
251.06995	0.7
255.10220	1.2
265.08597	0.6
269.08163	0.7
272.06888	0.5
276.54959	0.4
278.24719	1.7
279.25153	1.2
283.09729	2.4
284.10419	0.5
296.25858	2.8
297.06021	4.9
297.11331	0.4
297.26193	1.5
300.06442	0.6
303.05002	1.5
314.23227	0.6
314.26852	10.3
315.04605	1.6
315.08405	2.4
315.12320	2.8
315.27197	8.5
339.60791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0707
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02366	0.5
53.03932	1.2
57.03424	0.6
69.03423	5.0
70.06580	0.5
70.84961	0.7
70.85296	0.3
71.04991	0.4
75.82442	0.3
79.01852	5.0
81.03411	8.7
85.02905	4.9
93.07027	0.5
97.02888	3.4
99.04452	1.1
102.55226	0.4
102.84962	0.4
107.01320	2.2
107.04962	0.5
109.02866	6.1
125.02355	5.3
127.03897	5.7
137.05968	0.5
143.03387	9.1
153.01822	100.0
154.02164	1.4
154.14023	0.3
163.03885	0.3
171.02876	5.5
195.06490	1.4
226.38220	0.3
260.23694	0.5
278.24823	1.1
279.25284	0.4
296.25906	1.4
297.05991	5.9
297.26056	0.8
314.26871	4.6
315.07297	1.1
315.12384	0.6
315.27231	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	315.05
Annotation	5-hydroxybowdichione
Peak:m/z	Relative Intensity
52.66958	0.4
55.01841	0.6
55.05493	0.8
56.96535	1.8
65.03901	0.5
67.05477	1.2
68.99791	8.0
69.03387	1.6
69.07043	1.0
71.59559	0.9
74.83177	0.4
79.01828	1.5
79.05467	1.2
81.03420	3.7
81.07022	1.8
83.01301	0.7
83.08616	0.4
85.02877	1.4
91.05483	3.0
93.06999	0.9
95.04930	0.7
95.08565	1.3
97.02856	1.8
99.04411	0.5
103.05428	1.0
105.06991	1.4
107.01311	1.3
107.04916	1.8
107.08575	0.5
109.02898	2.1
109.10120	0.8
111.00799	5.3
111.04398	0.8
116.98568	0.6
119.04932	1.7
119.08553	0.7
121.02870	1.2
123.04383	1.1
125.02316	1.6
127.03899	2.0
129.07002	0.8
131.04967	2.2
133.02811	0.6
134.99593	0.7
135.04413	0.9
136.82481	0.4
137.02307	0.9
137.06007	1.1
139.03882	0.6
143.03366	2.7
147.04407	18.6
149.02325	0.5
149.05962	2.0
151.03909	0.6
153.01825	32.4
153.02870	1.3
153.05374	0.7
155.04907	1.0
157.02849	0.6
157.06520	0.6
159.04414	1.6
161.02277	1.0
161.05971	2.3
162.03143	1.2
163.03902	1.9
165.07002	1.3
167.03386	2.0
167.08586	1.0
171.02864	1.8
171.04366	0.9
173.06007	0.9
175.03909	23.0
176.04179	0.6
177.05460	2.4
177.06914	0.9
179.03433	0.7
180.04219	0.8
181.04874	0.8
181.06560	0.5
183.08018	0.5
185.05984	1.6
189.05460	1.9
191.03435	0.7
191.07022	0.9
194.07233	1.2
195.02902	0.6
195.06509	11.6
195.08073	2.0
197.06009	1.6
199.03893	0.5
201.05479	0.5
203.03389	63.2
204.03725	1.9
205.06546	0.6
207.02859	0.5
208.05302	0.6
210.02034	0.5
211.07550	1.0
213.05518	3.0
217.05049	0.8
222.06804	1.3
223.07527	2.5
224.04515	0.5
225.05595	0.7
225.09155	0.5
227.06956	0.5
231.06544	0.9
237.09082	0.9
239.07106	0.9
240.07838	1.4
241.04883	2.2
241.08554	0.5
242.05887	0.5
245.04486	1.7
251.03218	0.5
251.07082	1.4
254.09439	1.2
255.10162	1.9
257.08228	0.5
259.06067	3.7
265.08636	1.3
269.04532	1.2
269.08044	1.2
272.06870	0.5
274.08551	1.0
282.08676	0.4
283.09613	6.4
284.10315	0.7
285.59760	0.5
287.05490	3.5
287.08340	0.6
296.25970	1.0
297.06183	0.9
297.11163	1.4
297.26309	0.5
299.05536	1.1
300.06256	3.8
300.09543	0.8
314.26755	2.8
315.05017	100.0
315.08536	12.1
315.12338	10.8
315.27179	2.5
316.05353	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	314.2688
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
55.05268	0.2
55.05510	3.5
56.05030	1.2
56.96553	0.4
57.07061	1.1
57.23641	0.2
58.06586	0.9
65.03931	1.0
66.87790	0.2
67.05169	0.5
67.05502	7.0
68.05027	0.6
69.03426	0.7
69.07060	3.2
70.00957	0.6
70.01379	0.7
70.06614	1.1
72.04498	0.4
72.08156	0.3
79.01844	0.6
79.05488	2.4
80.05010	2.8
81.03403	1.0
81.07047	3.2
82.06566	2.1
83.01358	0.3
83.04966	0.3
83.08620	1.2
84.08136	1.2
85.02897	0.7
86.06040	0.3
91.05488	1.8
92.05756	0.3
93.05760	0.6
93.07036	2.5
94.06570	2.5
95.04964	0.5
95.07353	0.4
95.08602	3.4
96.08125	1.5
97.02876	0.3
97.10162	0.4
97.82926	0.3
98.09608	0.2
103.05469	0.3
105.07019	0.7
106.06553	1.8
107.04942	0.4
107.07326	0.7
107.08560	1.3
107.09206	0.2
108.08100	1.6
109.02885	0.5
109.06490	0.4
109.10166	1.1
110.09696	1.1
112.07601	0.8
119.04955	0.9
120.05264	0.4
120.08108	1.5
121.02856	0.8
121.10140	0.6
122.09671	1.1
123.04425	0.3
124.07591	0.4
124.11218	0.8
125.02328	0.3
126.09155	0.3
127.03864	0.6
134.09634	0.6
135.11574	0.3
136.11217	0.4
137.05968	1.0
138.06319	0.4
138.09126	1.1
138.12767	0.7
143.03401	0.9
144.66945	0.2
145.29704	0.2
145.86739	0.2
147.04402	1.4
148.04756	0.7
151.07526	0.7
152.07887	0.8
152.14307	0.3
153.01820	11.2
156.10199	1.0
164.88982	0.2
165.07002	0.3
167.03363	1.0
167.06969	0.2
171.02870	0.7
173.13222	0.3
175.07285	0.3
180.04089	0.4
189.09177	0.3
190.09492	0.6
194.19002	0.8
195.06532	7.3
200.47064	0.2
211.02850	0.4
222.22203	0.5
234.22229	0.9
246.22137	2.6
248.23738	1.9
250.25328	2.8
254.05766	0.3
255.09944	0.3
258.22128	0.4
260.23709	3.4
264.23080	0.4
265.08536	0.4
278.24780	13.1
283.09616	1.1
285.11172	0.2
287.05484	0.4
296.25824	21.9
297.11166	0.6
297.26376	0.4
300.06268	0.3
314.26868	100.0
315.05093	0.5
315.08572	1.4
315.12283	2.4
315.27286	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	314.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.2
57.03431	0.4
58.06596	9.1
61.01140	0.8
69.03433	2.0
69.86620	1.7
70.06587	0.5
73.02904	0.4
75.02742	0.4
76.07624	0.4
79.01847	0.8
79.05439	0.2
81.03414	1.3
85.02892	1.4
87.02669	0.3
95.04948	0.5
95.06086	0.5
97.02884	46.5
98.97593	0.8
107.04973	1.6
109.02885	1.0
110.06068	0.4
112.31116	0.3
113.02303	0.3
116.98589	0.5
119.01704	0.3
119.03544	0.8
119.04950	0.4
122.06008	0.9
123.04403	0.6
125.02335	0.4
127.03928	1.0
134.99629	0.3
135.04451	0.7
135.05396	0.3
136.06177	100.0
137.04582	1.0
137.06544	0.4
139.75511	0.3
143.01624	2.0
143.03409	1.3
146.06010	0.4
146.99626	0.4
147.04453	0.7
148.06204	1.0
148.21907	0.3
149.06987	0.3
152.07042	0.9
152.10748	0.4
153.01814	13.6
158.99669	0.4
161.02686	1.3
162.05475	0.4
162.07750	0.7
163.03876	0.5
164.05695	6.6
164.07068	0.8
165.07843	2.0
171.02927	0.8
176.05714	0.5
178.07228	2.7
178.08583	0.5
179.03746	1.5
182.08116	0.5
182.94275	0.3
191.05888	0.3
194.08047	0.4
206.08138	0.6
211.14456	0.4
220.08392	0.4
224.09216	1.2
232.08255	0.5
238.07091	0.7
248.07822	0.7
250.09396	0.5
251.05540	0.6
267.60504	0.3
270.21716	0.4
278.06979	0.7
296.08038	3.1
297.06100	1.0
314.09027	9.9
314.12354	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	314.2687
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
51.29144	0.2
53.03933	0.6
55.01871	0.4
55.05507	2.8
56.05030	0.4
56.96566	0.3
57.03437	0.5
58.06600	2.3
65.44366	0.3
67.05494	3.4
68.05026	0.9
69.03412	0.9
69.07063	2.8
70.06583	2.4
70.48947	0.6
70.49340	0.8
71.04983	0.3
76.07628	0.3
79.01847	1.0
79.05485	3.1
80.05019	0.4
81.03413	2.2
81.05819	0.4
81.07053	2.7
82.06568	1.7
83.08609	0.6
85.02898	1.5
91.05461	1.0
93.07051	2.5
94.06564	2.1
95.04955	0.6
95.07345	0.5
95.08602	3.1
96.08125	5.5
97.02878	0.8
97.10146	0.4
98.09679	0.4
105.07015	1.1
107.01278	0.5
107.07359	0.5
107.08580	1.1
108.08110	2.2
109.02872	1.2
109.08889	1.0
109.10123	0.7
109.89821	0.3
110.09669	2.0
119.08593	0.4
122.09683	1.6
123.04420	1.6
123.10405	0.6
124.11243	0.3
125.02330	1.2
127.03889	1.2
132.30473	0.3
133.10092	0.5
134.09570	0.4
143.03374	2.0
153.01819	25.4
171.02878	1.2
185.98296	0.3
193.04947	0.8
224.09053	0.2
225.35905	0.3
248.23631	0.4
252.23248	0.3
260.23691	0.9
276.23047	1.6
278.24777	11.9
294.24179	0.4
296.25824	17.1
297.06070	0.8
297.26004	0.3
314.26859	100.0
315.08759	1.5
315.27237	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	314.0867
Annotation	Fontinalin
Peak:m/z	Relative Intensity
52.39230	1.7
53.63566	1.7
54.44447	1.7
55.08113	1.8
60.04507	5.3
60.63939	1.6
63.01654	2.0
69.03413	3.6
69.39413	1.9
70.76003	4.2
73.02927	10.4
79.05500	4.2
81.03402	3.7
82.34786	1.9
84.04489	2.4
85.02876	3.8
91.05468	4.5
94.06551	3.9
95.04980	4.0
96.64382	1.9
97.02867	3.4
98.21369	2.8
103.05462	2.5
105.07023	3.3
106.06516	2.9
107.04938	18.8
108.40306	1.8
109.02853	4.9
110.06036	37.4
119.04932	9.4
120.08061	2.5
121.02806	2.2
121.06525	3.5
122.06024	58.8
123.04414	5.5
125.02326	4.5
127.03936	4.8
131.04910	3.1
133.04973	2.2
133.06442	4.0
133.44817	1.9
134.06021	16.0
135.04401	8.6
136.07547	6.1
137.05949	2.6
137.08319	2.3
143.03375	5.3
145.02812	2.1
146.05975	21.3
147.04395	23.7
147.06731	7.7
148.07603	7.2
149.05925	2.9
150.05534	6.3
152.07060	26.4
153.01825	60.4
159.04443	4.1
160.07527	2.8
161.05972	5.3
162.05501	28.6
163.03850	11.1
164.07068	62.4
165.07854	30.2
166.08623	3.1
171.02950	2.9
172.03963	4.3
175.03839	2.4
175.06284	2.5
176.07034	4.5
177.05435	4.3
178.08618	5.8
179.06758	1.7
182.08115	50.6
186.05466	5.8
187.03946	6.2
188.07053	3.7
189.05487	2.5
190.04959	25.1
191.03386	7.1
192.06592	3.6
193.04834	2.8
194.08101	12.5
204.06616	5.9
205.04932	5.7
206.08052	16.5
207.06522	2.9
208.05997	17.9
214.04909	2.6
215.03381	2.7
221.04381	2.1
222.07567	2.4
224.09177	86.2
226.07088	2.9
232.06055	6.0
233.04439	2.9
238.07100	17.4
239.07834	2.8
240.08551	2.8
250.07106	4.1
251.05516	5.5
252.01520	1.9
254.06613	10.5
268.08191	3.7
269.06635	4.3
272.07700	11.8
272.10172	2.1
296.07712	5.1
297.05991	7.7
303.41904	1.9
314.08676	100.0
315.10361	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05266	0.7
55.05510	9.6
55.10443	0.7
57.03435	26.2
57.07073	63.6
67.05501	13.7
69.07066	12.4
71.04997	0.9
71.08628	44.3
75.04466	0.7
79.05484	1.7
81.07055	19.3
83.04974	0.7
83.08617	13.1
85.10178	22.3
89.06034	3.9
93.07049	1.5
95.08607	25.3
97.10168	8.0
98.21561	1.4
103.07579	2.0
105.94118	0.7
107.08598	1.2
109.09458	0.9
109.10162	12.3
111.11723	1.5
113.13268	0.9
123.11679	5.5
137.13240	2.5
239.23653	4.6
257.24698	5.8
298.27145	1.4
313.27353	100.0
314.27707	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21584	0.7
55.05505	9.3
57.03436	22.0
57.07072	63.7
60.34272	0.7
61.08238	0.7
67.05176	0.9
67.05505	13.0
69.07063	11.5
69.36681	5.9
71.08630	42.1
73.63248	0.8
79.05467	1.1
81.07051	15.9
83.08612	14.1
85.06552	1.0
85.10179	24.7
89.06027	3.7
93.07005	2.0
95.08601	25.0
97.06494	1.1
97.10162	7.0
99.11706	2.0
103.07549	2.6
107.04884	1.0
109.10149	11.3
111.11693	2.4
117.09104	1.0
121.10114	1.0
123.11713	5.5
134.82101	0.7
137.13254	1.9
143.97308	0.9
151.14839	1.3
165.16451	1.1
221.22670	1.0
225.00336	0.8
239.23734	4.4
257.24741	5.3
261.10089	0.7
280.30740	0.8
313.27350	100.0
314.27658	3.3
328.97159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.5
57.03438	21.3
57.07073	67.8
67.05501	12.6
69.07066	11.9
70.09090	3.9
71.08627	41.3
75.04499	1.1
79.05479	1.3
81.07049	18.3
81.71484	1.0
83.08617	13.7
85.10177	23.4
89.06022	3.3
95.08604	26.8
97.10163	7.5
99.11715	1.2
103.07565	3.0
107.04993	1.1
107.08595	1.5
109.10154	12.4
111.11693	1.9
114.45985	0.9
116.68434	0.8
123.11692	5.2
123.81090	0.9
134.99652	0.8
137.13245	2.4
151.14771	0.9
165.16306	1.0
239.23701	4.6
251.97357	0.9
257.24747	7.0
298.27487	1.0
300.99994	0.9
313.14063	1.6
313.27350	100.0
314.27643	2.4
316.56677	0.9
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
55.05507	8.4
57.03433	22.7
57.07073	66.0
58.18394	0.6
58.42750	0.6
63.54889	0.6
65.03940	0.7
67.05499	12.0
69.06718	0.9
69.07063	12.2
71.04971	0.7
71.08627	44.0
75.04470	1.2
79.05462	2.1
81.02063	0.6
81.07053	16.1
83.08617	13.0
85.06540	0.8
85.10177	22.5
85.96543	0.7
89.06017	4.3
93.06992	0.8
95.08604	22.8
97.06513	0.8
97.10156	5.9
99.11703	1.4
103.07560	3.1
107.08601	0.7
109.10160	10.0
111.11712	1.0
117.09106	1.2
121.10155	0.8
123.11695	4.8
125.13209	0.9
137.13248	1.7
139.14780	0.8
140.54878	0.6
239.23610	4.7
253.59813	0.7
257.24692	5.2
290.12228	0.8
298.27277	1.2
313.27347	100.0
314.27704	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	313.1431
Annotation	Stemofuran H
Peak:m/z	Relative Intensity
51.86660	0.6
53.03927	1.6
56.96563	0.8
57.75710	0.7
67.05485	2.2
68.99803	0.8
69.06601	0.8
70.12493	3.6
75.04447	0.9
79.05498	6.9
81.03382	1.0
81.07014	2.2
81.36695	0.8
83.01310	2.7
85.02863	1.0
91.05486	4.4
93.07011	2.2
95.04976	4.0
95.08598	1.5
97.06506	1.1
98.20789	0.9
103.05448	5.2
105.07025	20.7
107.04951	60.9
109.06480	1.4
115.05405	2.5
117.06990	3.2
117.70936	0.8
119.04906	1.4
121.02819	2.2
121.05670	1.0
121.06500	19.1
123.08012	2.9
129.05447	1.9
131.04921	47.4
132.05701	1.0
133.06491	27.6
135.04369	0.8
135.08035	1.9
136.05142	1.2
137.05997	1.6
137.09572	1.7
138.06715	2.1
139.07536	1.7
144.05719	1.0
145.06479	17.2
147.04373	3.0
147.08034	1.3
149.05942	1.8
149.09546	0.7
151.07504	3.5
153.09102	4.5
157.06454	1.3
159.07976	2.2
161.05896	1.7
163.07481	1.1
165.06934	1.0
165.09041	3.3
166.06209	2.3
167.03395	1.5
167.07036	1.8
168.52136	0.8
169.08656	3.7
169.98706	0.8
173.05945	1.5
175.07500	1.7
177.05409	1.7
178.07707	2.0
179.06978	1.2
179.08464	0.9
181.08595	41.0
182.09216	2.5
183.07986	2.2
183.10135	3.3
183.70815	0.8
187.07420	1.7
191.06953	2.2
191.08536	1.1
193.06659	1.0
193.08482	1.9
193.10127	1.5
195.08009	5.5
195.10020	1.8
195.11638	0.7
196.08762	1.7
203.08536	1.2
205.08511	2.3
206.07205	2.3
207.08017	2.8
207.10014	1.6
208.08699	2.3
209.09578	2.3
210.10368	2.1
211.07573	1.0
211.11073	2.3
219.08073	1.2
219.10152	2.1
221.09593	9.2
222.10435	4.0
223.07526	4.3
223.11052	1.7
224.08257	2.3
225.09149	1.4
227.06909	0.9
227.10506	0.9
234.06712	1.3
237.09007	2.8
238.09897	11.6
239.10664	4.1
240.07765	0.8
248.08356	1.4
249.09094	6.6
250.09787	2.2
251.07042	2.3
251.10599	2.2
253.08656	0.9
253.09468	1.0
253.12212	10.4
254.12990	1.8
255.10042	2.2
263.10583	1.2
265.08527	3.4
266.09384	6.5
267.10141	5.9
268.10437	0.8
269.08044	1.4
270.08633	1.0
270.12369	2.1
281.08417	1.5
281.11685	22.9
282.09189	0.8
282.12439	4.6
283.09607	10.6
285.14691	2.0
297.07458	6.0
297.11133	3.4
298.05014	1.3
298.08243	20.8
298.11874	9.4
313.10611	21.5
313.14221	100.0
314.11224	0.9
314.14612	2.5
327.25546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1433
Annotation	Stemofuran H
Peak:m/z	Relative Intensity
69.65152	1.8
71.32923	4.3
71.33284	2.0
75.48909	2.1
79.05488	5.5
83.01299	2.0
91.05477	3.7
95.04974	3.9
95.08572	2.2
103.05444	3.8
105.07027	27.4
107.04950	82.4
114.25727	1.7
121.02879	2.6
121.06515	25.5
131.04008	3.6
131.04926	45.3
133.06494	34.6
135.08139	2.5
136.05176	3.0
137.05991	2.3
138.06839	2.5
145.06483	17.4
147.04449	2.3
147.08064	2.3
151.07536	3.4
153.09117	5.4
161.05957	3.3
165.09094	4.1
166.06282	2.7
167.07004	2.8
169.08549	4.1
173.06036	2.6
181.08572	52.9
183.10199	4.5
189.05479	2.4
195.08047	4.0
205.08565	3.0
208.08809	2.0
219.10120	4.1
220.08832	3.0
221.09663	13.7
222.10410	3.3
223.07503	4.4
224.08319	2.5
237.08987	3.7
238.09880	14.0
239.10709	5.7
248.08235	3.0
249.09044	8.7
251.07054	2.2
253.12099	11.8
255.10190	3.4
265.08575	3.2
266.09393	6.4
267.10126	9.4
281.11722	27.5
282.12494	5.9
283.09677	17.1
285.14816	2.2
297.11163	4.6
298.12067	9.2
313.14319	100.0
314.14548	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	313.1432
Annotation	Letestuianin C
Peak:m/z	Relative Intensity
51.02381	0.6
53.03941	1.1
54.89254	0.6
55.01861	1.8
64.48396	0.5
67.05492	1.6
70.66623	1.0
70.67025	1.2
75.04528	0.5
77.03921	0.8
79.05495	6.1
81.03439	0.7
81.07043	0.9
83.01338	2.2
91.05464	3.9
93.07024	1.8
95.04975	4.8
95.08591	1.2
97.06493	0.8
99.04473	0.6
102.53308	0.6
103.05468	6.2
105.07027	24.7
107.04949	80.9
107.08607	0.9
108.05267	0.9
109.06524	1.3
109.10094	0.5
111.04463	0.8
114.85587	0.5
115.05475	2.3
117.07030	2.8
119.04942	0.7
121.02885	2.8
121.06500	20.9
122.07272	0.6
123.08072	3.1
129.05453	1.3
131.04926	41.2
131.08569	0.6
132.05696	1.9
133.06488	32.1
135.04425	0.7
135.08023	2.5
136.05185	0.7
137.05954	1.5
137.09653	1.0
138.06746	3.1
139.03918	0.8
139.07506	1.2
144.05692	0.9
144.37445	0.6
145.06474	17.7
147.04411	1.4
147.08049	1.9
149.05981	0.9
150.06818	0.7
151.07552	3.9
153.09116	4.6
154.06207	1.1
155.06058	0.7
157.06477	0.8
158.73355	0.7
159.08057	1.5
161.06024	3.0
163.07475	0.9
165.06969	1.3
165.09131	4.0
166.06282	1.3
166.09779	1.2
167.07033	2.4
169.08543	3.5
171.08040	1.0
173.05986	1.0
178.06351	0.8
178.07813	1.6
179.07072	1.2
179.08595	0.6
181.08589	50.5
182.07304	0.6
182.09322	3.7
183.07962	1.0
183.10162	4.3
185.09595	0.7
186.06760	1.0
187.07542	2.0
189.05521	0.9
190.06300	0.6
191.07065	3.0
191.08565	0.6
192.09380	0.7
193.08586	1.5
193.10162	1.3
194.07265	1.0
195.08066	5.2
195.10069	1.3
196.08762	1.3
202.07751	1.0
203.08636	1.4
205.06844	0.8
205.08548	3.5
206.07248	1.4
206.09213	0.9
207.08075	2.1
207.10016	0.9
208.08852	2.3
209.09621	2.2
210.10403	2.9
211.07578	1.2
211.11133	1.7
212.08116	0.6
219.08206	0.7
219.10185	2.1
221.09618	7.8
222.10371	3.8
223.07536	4.5
223.11182	1.7
224.08304	1.4
225.09003	1.0
225.12724	0.8
227.06912	0.7
227.10687	1.7
234.06770	0.8
235.11136	1.2
237.09068	3.5
238.09862	12.2
239.10661	4.5
248.08267	0.8
249.09062	6.7
250.09782	1.9
251.07030	2.5
251.10683	1.5
253.12224	11.0
254.13007	1.5
255.10074	3.7
263.10712	1.1
265.08658	4.1
266.09412	5.2
267.10153	6.2
270.12518	1.6
280.10788	0.7
281.11703	23.4
282.09177	1.2
282.12476	4.5
283.09671	13.7
285.14853	2.1
297.11166	4.8
298.11987	7.7
313.14316	100.0
314.14810	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	313.1431
Annotation	Stemofuran H
Peak:m/z	Relative Intensity
52.03036	1.2
75.06633	1.3
79.05481	4.7
83.01332	2.9
91.05467	3.5
95.04955	3.6
103.05454	3.9
105.07024	22.5
107.04953	70.5
115.05449	2.1
117.06995	2.8
121.06505	23.5
123.08053	2.0
131.04929	45.5
132.05737	1.5
133.06490	33.9
135.08105	2.5
139.07475	1.8
145.06483	18.0
149.05986	1.8
151.07573	3.4
153.09148	3.9
154.06224	1.5
159.07866	1.6
165.09120	4.6
167.07005	1.6
169.08617	4.8
173.05995	1.6
179.07047	2.3
181.08594	52.5
181.10204	2.8
182.09323	2.4
183.10164	4.5
183.38420	1.4
191.06989	2.6
193.08603	4.1
195.08035	4.6
195.10132	2.1
203.08482	2.4
205.08673	2.6
209.09479	1.8
210.10423	2.5
211.11241	1.8
219.10170	3.0
221.09576	7.7
222.10378	4.2
223.07483	3.5
224.08334	1.9
237.09181	3.2
238.09834	11.1
239.10641	4.8
249.09016	7.4
250.09738	2.0
253.12305	13.0
254.12968	2.0
255.10069	2.4
265.08517	3.3
266.09311	7.2
267.10162	6.3
281.11737	27.4
282.12378	6.3
283.09695	13.9
285.14688	3.4
297.11133	4.8
298.12036	6.8
313.14328	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.294
Annotation	labd-13-en-8alpha-,15 diol
Peak:m/z	Relative Intensity
51.42207	4.8
55.05509	38.6
56.96571	4.5
57.03451	4.5
57.07064	19.5
67.05490	36.2
69.07066	82.2
71.04981	14.4
71.08624	21.8
71.59611	7.6
79.05491	12.0
81.07048	76.3
83.08609	49.1
85.06571	11.9
85.10179	8.7
91.05463	11.7
92.04163	5.0
93.07026	23.0
95.08598	100.0
97.10175	30.9
99.08106	9.2
105.07047	11.1
107.04916	5.8
107.08576	20.0
109.10151	65.6
111.08069	8.6
111.11708	17.4
113.75740	5.8
116.87801	4.7
119.08574	7.2
121.10155	12.2
123.11707	38.5
125.13258	6.7
127.11196	6.7
131.08617	5.8
135.11636	15.0
137.05972	25.3
137.13245	29.5
147.04413	6.6
149.13261	12.7
151.14790	8.4
153.12769	5.8
163.14818	6.7
190.07706	5.9
191.08565	11.7
205.19524	8.9
219.08060	15.0
219.21350	6.0
231.10741	6.4
251.10655	15.0
275.27316	8.7
276.67175	4.9
279.10199	18.1
281.08151	13.1
281.28323	12.5
293.28448	18.7
296.10281	9.1
311.05814	5.0
311.12738	21.5
311.29483	14.5
312.24930	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	313.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.1
56.96551	0.1
57.07069	0.1
60.48651	0.1
65.03931	1.1
67.05499	0.1
69.07088	0.1
70.11908	0.1
72.46523	0.1
79.05506	0.1
79.25395	0.1
81.07065	0.1
90.76669	0.1
91.05479	12.7
92.05811	0.2
93.73215	0.1
95.04963	0.2
95.08603	0.2
96.08908	0.1
98.84943	0.1
105.07046	0.1
107.04961	0.3
111.00751	0.1
115.05484	0.1
119.04940	28.7
120.05260	0.6
121.02950	0.1
129.06964	0.2
130.79297	0.1
131.04924	0.2
133.06487	0.1
137.05962	0.6
147.04405	100.0
148.04738	2.3
149.04849	0.1
151.03947	0.1
151.07544	0.6
153.01836	0.8
157.06520	0.2
163.04015	0.1
173.05951	0.1
176.78366	0.1
182.17017	0.1
189.09052	0.4
221.09604	0.1
235.07370	0.1
241.08418	0.1
249.26782	0.1
253.08659	0.2
253.12093	0.1
270.08881	0.1
281.11786	0.1
285.07590	0.1
287.51825	0.1
295.06174	0.1
295.09595	0.1
313.03702	0.1
313.07010	0.4
313.10648	0.5
313.14352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.294
Annotation	labd-13-en-8alpha-,15 diol
Peak:m/z	Relative Intensity
55.05260	3.5
55.05507	39.7
57.07070	18.4
65.09220	2.8
66.91801	2.8
67.05503	38.6
69.03417	3.4
69.07061	88.3
70.15611	13.4
70.15903	2.5
71.08614	8.9
77.90604	2.5
79.05476	14.0
81.07050	100.0
83.08611	39.7
85.06540	24.9
85.10153	5.3
91.05462	7.1
93.07038	22.0
95.08596	81.6
97.10160	24.5
99.08076	16.2
105.07030	5.1
107.08582	14.3
109.10149	48.2
111.08057	8.2
111.11706	13.7
114.75092	2.6
121.10096	9.2
122.03638	3.3
123.11709	26.8
125.09627	4.4
125.13262	3.5
133.02760	3.9
135.11659	10.6
137.05951	17.5
137.13239	13.7
143.08449	2.6
147.04367	5.5
149.13235	15.4
151.14798	5.9
161.05888	3.5
163.14825	5.4
171.68260	2.7
177.16420	3.3
179.17906	3.7
187.07574	6.7
190.07674	3.9
191.08514	8.0
205.19511	3.7
219.08008	10.4
235.07520	2.8
236.08224	2.5
247.07504	3.4
251.10698	12.5
274.67880	2.6
275.27359	5.8
279.10159	8.8
281.07959	5.6
282.08606	4.1
291.61429	3.0
293.28439	12.8
296.10352	3.9
311.08954	8.0
311.12720	26.3
311.29395	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.05506	37.3
55.05756	4.5
57.03425	3.3
57.03699	2.4
57.07069	18.5
57.24388	2.2
65.03928	3.3
67.05499	40.5
69.03414	3.3
69.07061	86.5
69.38111	3.1
69.38510	19.7
71.04986	3.7
71.08611	8.1
79.05495	16.0
81.07050	100.0
83.04946	2.9
83.08611	36.0
85.06540	29.5
85.10159	3.9
91.05454	6.3
93.07038	20.0
95.08599	88.1
96.08873	2.5
97.06534	4.3
97.10162	22.8
98.31625	2.5
98.97585	2.6
99.08082	18.8
101.98653	2.2
105.07024	5.5
107.04943	3.9
107.08568	14.8
109.06535	3.5
109.10149	50.6
111.08083	8.8
111.11704	15.0
113.09617	2.6
115.05391	2.3
121.10130	11.8
122.03642	4.5
123.11696	29.4
125.09618	4.1
125.13245	5.1
130.05005	4.0
131.04927	2.8
133.02861	6.1
135.11665	10.9
137.03009	2.5
137.05966	25.7
137.13206	11.9
147.04420	7.4
148.04713	2.9
149.09550	3.9
149.13251	14.0
151.14818	5.9
153.01813	4.5
155.04977	2.5
159.08072	3.9
161.05940	6.1
163.14806	4.5
167.14204	2.8
177.16281	2.6
179.17984	2.8
187.07526	9.4
190.07863	5.1
191.08559	13.2
192.08859	2.9
218.07085	2.8
219.07971	18.4
236.08165	4.9
247.07512	7.0
251.10669	17.7
253.08723	3.1
275.27383	2.8
279.10120	17.7
281.08121	5.5
285.42084	2.6
293.28293	8.8
294.20569	5.3
296.10648	2.7
311.05734	2.4
311.12848	24.8
311.18237	61.1
311.29404	45.5
312.12839	3.4
312.18439	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2578
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03939	1.2
55.01861	2.3
55.05510	57.3
55.09752	0.8
57.03143	1.2
57.03434	24.6
57.07074	26.3
65.59456	0.9
67.05502	8.8
69.07066	66.2
69.48474	4.5
69.48901	3.2
71.08630	16.5
73.02911	2.1
74.11818	0.8
79.05501	5.9
81.07051	10.7
83.04982	1.4
83.08615	53.3
85.10172	6.4
91.05470	1.0
93.07031	6.0
95.08611	7.1
97.06541	6.1
97.10168	37.9
98.20800	2.0
107.08596	5.7
109.10137	3.4
111.08057	2.3
111.11720	11.8
121.10145	6.2
123.11714	1.7
125.09639	2.1
125.13265	2.6
135.11696	4.9
137.13226	1.0
139.11179	1.2
149.13240	3.0
153.12718	0.9
163.14798	1.7
209.11755	1.8
237.11183	2.2
281.08105	2.3
311.12738	3.7
311.25803	100.0
312.26132	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	311.2213
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.03937	0.5
55.01859	4.6
55.05267	0.5
55.05507	7.5
57.03424	0.5
57.07070	27.8
59.04967	0.6
64.16297	0.4
67.05499	5.2
68.99791	1.8
69.03415	1.0
69.07061	3.0
71.01332	1.6
71.04978	1.0
73.02876	0.4
75.94276	0.4
79.05119	0.4
79.05492	5.0
81.03395	1.8
81.07047	5.0
83.04977	11.5
83.08602	4.0
85.02879	1.4
85.06550	0.4
91.05465	2.8
93.03402	0.5
93.07035	6.7
95.04958	9.7
95.08614	2.2
95.09146	0.4
97.02859	0.6
97.06516	3.5
97.10168	3.1
98.21533	0.7
99.04442	1.8
99.08078	0.7
101.02376	0.6
105.07002	3.4
106.12131	0.4
107.04945	4.5
107.08581	6.0
109.02864	4.6
109.06506	1.5
109.10129	2.4
111.04434	24.1
111.08073	3.3
117.07005	1.4
119.08580	2.4
121.06502	1.3
121.10135	4.5
123.08028	0.9
125.05159	0.6
125.05992	6.5
125.09607	3.4
127.07569	0.9
129.05469	0.6
129.39687	0.4
131.08606	2.1
133.10103	1.4
135.04422	2.6
135.08044	1.1
135.11659	2.5
137.09593	0.9
139.07570	0.5
139.11137	0.5
141.09052	1.0
145.10117	4.0
147.11665	1.2
149.09619	6.2
153.05450	18.0
153.09093	1.1
153.12718	1.2
154.05769	0.5
159.11664	0.5
163.03899	1.2
163.11159	8.0
164.03595	0.4
165.09167	0.7
173.09503	0.5
175.07564	1.4
177.09077	0.8
181.04974	4.4
181.12227	9.2
187.11194	0.4
189.11203	4.5
191.08894	0.7
191.10655	14.2
193.08582	1.2
193.12186	0.5
195.10197	0.9
202.67694	0.4
205.12152	1.0
209.11710	100.0
210.11989	2.7
219.10129	1.6
223.13272	10.8
227.12854	0.5
237.11194	77.4
238.11452	2.8
255.12262	16.6
256.12469	0.6
257.18948	1.3
265.17917	0.6
275.20035	9.6
276.20496	0.4
293.17453	5.9
293.21085	9.7
311.12759	1.0
311.18521	3.9
311.22229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1277
Annotation	Porphyrin
Peak:m/z	Relative Intensity
52.34524	0.8
54.79591	1.0
65.03931	1.5
70.33006	2.4
79.05482	3.4
79.76639	0.9
81.07049	3.0
87.69563	0.9
91.05479	6.6
94.04204	5.9
95.04942	1.5
95.08626	1.0
98.21436	1.1
98.98445	2.6
103.05470	1.9
104.35475	0.9
105.07038	8.9
105.54539	1.0
107.04950	3.1
109.06503	4.7
115.05462	3.1
116.06207	0.9
119.04918	2.0
121.06528	1.8
122.03639	10.6
128.06215	2.3
129.07001	4.8
131.04918	3.4
131.08563	1.8
133.06497	5.3
137.05977	100.0
138.06274	1.0
141.07036	1.1
144.05690	4.3
145.06494	2.3
147.04408	6.9
149.04944	1.4
149.05943	5.7
151.07552	1.3
154.39420	1.1
155.04907	7.7
156.05684	1.2
159.08064	10.0
161.05978	15.2
163.07495	1.1
165.06964	4.0
172.05219	3.3
175.07541	4.0
179.08516	3.0
180.09358	1.4
187.07549	30.3
189.06999	8.1
189.08905	2.1
190.07774	27.8
191.08546	58.9
192.08963	1.5
193.06581	1.7
202.07736	2.4
203.08702	1.5
205.06458	4.0
205.10132	1.3
207.08058	7.8
208.08792	7.7
209.09686	1.2
218.07277	15.6
219.08051	71.0
220.08751	9.5
221.05936	3.5
223.11143	1.2
225.09045	1.5
233.09660	1.6
235.07553	9.6
236.08324	15.4
237.09055	2.9
246.06776	2.1
247.07562	29.1
248.08316	4.0
251.10663	90.9
252.11023	3.9
253.08659	5.5
261.09171	3.3
263.07071	3.1
264.07819	9.5
265.08551	5.1
267.10022	1.1
268.07339	1.5
268.10965	2.4
278.09189	1.2
279.10159	70.8
280.10718	8.0
281.08054	9.9
283.13284	1.9
295.09607	1.3
296.10455	10.2
311.09622	2.1
311.12762	61.1
312.13208	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06421	0.9
53.03936	1.8
55.01857	2.5
56.11181	0.9
56.96561	2.4
65.73426	1.0
66.93825	1.0
69.03405	1.6
71.59384	1.8
77.03922	1.1
79.05489	5.0
79.35454	1.0
81.07051	3.5
83.04961	1.6
83.94399	1.0
89.03870	2.4
91.05492	6.2
93.07040	2.1
94.04172	5.3
95.04968	2.7
95.08588	1.3
101.59572	1.1
103.05460	4.3
105.03384	1.8
105.07037	12.6
106.07283	1.2
106.18624	1.1
106.30208	1.0
107.04929	5.2
107.05540	1.0
107.08591	1.6
108.08102	1.8
109.06512	5.3
115.05504	4.8
115.06164	1.1
117.03354	1.2
117.07047	1.5
118.04092	1.1
119.04951	1.4
119.08580	2.3
121.06487	2.9
121.10172	1.0
121.97085	1.1
122.03642	11.1
122.09657	1.2
124.07600	1.0
128.06157	1.9
129.07011	6.5
129.07780	1.1
131.04921	3.4
131.08574	1.6
133.02855	16.2
133.06500	10.2
137.05977	100.0
138.06300	1.6
141.06956	1.4
142.57921	1.0
143.06024	1.3
144.05682	3.1
145.06511	2.7
146.03560	1.3
147.04333	1.7
147.08044	2.8
149.05925	6.7
150.98991	1.0
151.03911	1.4
151.07513	2.0
153.01863	2.4
155.04921	6.4
155.05997	1.5
156.05643	1.7
157.06415	1.7
159.08038	10.2
161.05980	24.6
163.03897	2.8
163.07515	2.2
165.05443	3.2
165.06985	5.3
170.74835	1.0
171.04445	1.9
172.05193	3.9
175.07529	5.9
178.07713	1.1
179.08507	2.2
180.09354	1.6
187.07533	31.6
189.05525	1.6
189.06987	8.2
189.08646	1.6
190.07782	24.0
191.08556	52.5
192.09006	1.8
195.07991	1.5
202.07730	2.5
203.06819	1.2
203.08568	2.0
205.06479	4.0
207.08034	7.1
208.08821	5.6
218.07245	16.3
219.08054	65.3
220.08783	8.0
221.05937	2.5
221.09506	1.7
227.02283	1.5
233.09601	4.3
235.07570	8.5
236.08325	17.8
237.09119	1.8
246.06729	3.3
247.07553	26.7
248.08202	4.0
249.09142	3.3
250.09814	1.7
251.10678	88.2
252.10979	3.1
253.08495	5.3
261.09100	4.2
263.07062	1.9
263.10703	1.5
264.07788	11.2
265.08429	3.4
267.10175	1.2
267.17123	1.7
268.10916	1.8
275.20749	1.1
278.09348	2.9
279.10175	67.2
280.10855	6.1
281.08218	8.3
283.05942	1.0
283.09866	1.3
283.13120	2.3
295.09448	1.9
296.10419	10.3
297.67401	1.3
309.11191	1.0
311.08060	2.1
311.12704	62.3
311.19260	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	311.1274
Annotation	7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one
Peak:m/z	Relative Intensity
55.01872	3.1
55.05488	3.1
55.55305	2.1
56.96556	9.5
65.32829	1.7
67.05492	6.7
69.03429	1.9
69.07079	4.4
70.16080	4.5
70.16502	6.4
71.04984	4.1
73.86524	1.8
79.05466	6.9
81.03384	3.3
81.07053	10.0
83.04968	3.6
85.02882	3.6
86.24058	1.7
91.05480	11.7
93.07045	4.5
94.04159	3.9
95.04957	7.3
95.08577	8.0
98.97576	2.9
103.05467	3.5
105.07057	8.9
107.04954	29.3
107.08557	3.9
109.06487	5.7
109.10129	5.2
111.04416	2.5
121.06461	4.0
121.10130	3.5
122.03637	10.5
123.04327	2.2
125.09606	3.4
129.06999	4.9
131.04912	5.1
131.08575	2.4
133.06485	5.3
133.10133	2.8
134.99599	1.9
136.07622	2.6
137.05972	100.0
141.06848	2.1
144.05626	2.8
145.06429	3.2
145.10045	2.3
146.99677	3.0
147.04373	6.4
147.08005	2.8
149.04941	2.3
149.05966	6.9
153.01781	3.2
155.04857	6.3
157.06450	2.4
159.08017	8.0
161.06020	11.4
163.07475	2.4
165.06953	3.4
165.41576	2.2
167.07047	15.2
172.05161	3.2
175.07439	3.1
177.05508	2.2
187.07541	39.3
189.06914	4.4
190.07761	18.9
191.08569	30.9
192.08847	2.4
201.00729	4.5
203.08537	1.9
205.06496	3.5
207.08035	5.0
208.08742	5.9
217.08575	2.2
218.07332	12.6
219.01688	2.8
219.08060	57.7
220.08661	6.3
221.06081	2.6
221.09471	3.5
233.09592	6.3
234.06935	2.2
235.07481	8.1
236.08316	12.7
237.09029	3.5
239.99547	2.7
240.07715	5.1
241.08655	4.2
246.06810	3.0
247.07603	23.3
248.08295	4.9
251.10657	64.2
253.08528	7.0
255.06516	2.9
261.09140	8.2
264.07788	8.8
265.08478	4.7
268.07269	5.0
279.10138	62.6
280.10843	5.5
281.08054	12.2
281.11606	6.4
283.05667	2.8
283.09656	6.2
283.13062	2.1
287.05457	2.6
293.11719	4.1
293.23016	2.7
296.10321	10.0
311.05273	17.4
311.09180	2.9
311.12720	80.8
311.23907	4.2
312.12704	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.2
58.19767	0.4
71.43395	0.6
71.43723	0.6
73.09363	0.4
73.63761	0.4
75.91571	0.4
77.11790	0.4
78.39332	0.4
84.66168	0.5
85.02910	0.9
91.05437	0.5
93.91000	0.5
98.97559	0.5
107.04951	3.0
109.22739	0.5
149.02092	22.8
152.74750	0.5
179.02556	0.6
180.99440	2.0
185.04234	6.8
199.00546	0.7
208.98993	3.3
297.12863	0.5
311.07339	100.0
312.07730	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	311.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.9
54.67225	2.2
55.01861	6.4
55.05510	3.3
55.93531	5.5
56.94284	2.3
56.96562	20.7
57.03424	7.1
61.02909	6.9
67.05506	2.8
69.03426	37.8
70.95845	2.8
71.04980	5.4
71.58650	3.3
72.93778	24.8
73.02902	6.7
79.05476	7.0
81.03408	10.8
83.04960	4.3
85.02896	25.7
89.83885	2.2
90.94816	13.1
91.05462	6.9
93.03384	1.9
95.04961	7.0
97.02898	28.4
98.97571	6.0
99.04448	5.3
103.03941	3.7
103.05463	7.5
107.04952	100.0
108.95842	11.9
109.02831	2.3
109.06489	2.5
111.04454	2.2
115.03892	5.1
115.05478	4.6
116.98612	3.9
119.04948	12.9
120.95860	2.8
121.02862	2.9
121.06522	4.8
122.03629	3.4
123.04412	7.7
127.03902	17.1
129.05498	3.4
129.06992	3.2
131.04904	16.2
133.02856	4.2
134.99617	3.2
135.04411	15.3
136.07564	3.6
137.05971	61.1
141.07013	7.3
142.97844	2.4
143.04897	6.1
145.04912	3.2
145.06487	6.0
146.03581	3.0
147.04446	14.5
149.02115	15.2
149.05968	22.2
150.99136	4.7
151.03874	9.6
151.07538	6.2
159.04431	6.1
160.05223	8.9
161.05928	4.7
161.07120	5.6
162.03143	3.3
162.98413	2.3
163.03899	2.7
163.07552	8.5
165.05460	4.8
166.97879	2.8
167.07010	9.3
169.06476	6.0
170.97415	3.6
173.05966	4.0
175.07498	9.8
176.04701	3.1
177.05460	24.4
177.09033	3.2
178.97916	6.1
179.07047	14.2
179.98630	2.3
180.99445	60.1
184.98970	6.0
185.04277	3.7
185.05869	2.5
187.07538	3.2
190.06218	2.4
191.07014	27.8
193.04533	5.9
193.51372	2.4
194.97391	6.9
196.98927	6.2
197.01166	2.9
197.05998	8.7
199.00508	22.4
199.02304	3.3
201.09113	2.8
202.04916	4.4
203.07002	9.2
205.08640	2.9
207.06453	4.8
208.98955	85.6
209.99184	6.6
211.02763	5.0
211.97675	7.1
212.98383	8.8
215.07018	8.3
217.08571	2.3
219.06454	3.6
221.08090	3.6
223.04225	5.2
224.98457	4.3
226.99997	5.7
227.02266	8.1
229.08478	13.4
229.98653	8.5
233.08127	5.5
241.03754	3.0
244.02586	2.4
250.01523	3.6
253.00150	6.0
257.08109	8.8
265.06958	6.4
270.98819	5.0
271.01334	5.6
275.09161	3.5
293.10223	3.9
311.07346	62.8
311.11343	7.4
311.16409	2.4
312.07434	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	310.1469
Annotation	SB 218655
Peak:m/z	Relative Intensity
53.03926	1.3
55.01860	1.0
55.05506	6.3
55.59533	0.9
56.96553	2.2
57.76778	0.9
58.99576	2.6
59.13159	1.0
67.05502	1.5
69.03403	2.6
69.07071	1.9
70.02937	2.2
71.23177	1.0
71.23514	1.5
72.08127	1.7
79.05481	2.9
81.07054	2.6
83.04967	8.7
85.02901	1.1
86.99094	1.2
88.03989	32.1
91.05455	4.2
93.07055	2.5
95.04970	1.5
95.08593	2.3
97.02873	1.1
98.97567	1.4
99.02627	1.1
103.05484	1.0
105.07031	23.4
107.04946	1.4
107.08597	10.6
108.08111	1.5
111.02632	3.0
116.98640	1.2
117.06991	1.2
119.07310	2.3
119.08594	11.2
120.01150	1.3
120.05260	1.4
120.07663	3.2
121.06494	1.4
121.10136	2.9
122.03642	1.7
122.09649	2.0
124.07517	1.3
125.04227	5.6
129.06993	2.2
131.08553	1.7
132.08066	2.1
133.02855	1.5
133.06483	2.9
133.08405	2.0
133.10109	5.9
134.09662	6.6
135.10002	5.5
137.04211	27.0
137.05904	8.8
139.05753	18.2
140.05263	2.2
144.09279	1.5
145.10101	6.3
146.02687	1.5
147.04416	3.2
147.08046	3.4
147.11676	17.0
148.04721	3.3
149.02269	1.4
149.05960	1.0
151.05698	0.9
153.01784	1.1
153.69971	1.0
159.08078	1.2
159.11714	8.4
160.12460	1.1
161.05942	2.0
161.09650	3.0
161.13261	13.0
163.03841	0.9
163.05762	2.6
163.11302	1.4
165.03673	1.3
165.07245	2.5
166.06805	3.4
167.05240	2.9
171.11725	1.7
174.10452	1.6
175.11198	1.1
179.08914	6.0
180.08418	2.8
181.10426	8.7
187.07503	2.9
187.11168	6.0
188.11850	1.5
189.07126	1.1
189.12718	23.1
190.07841	2.0
191.08563	5.3
191.14276	5.4
193.10391	4.6
195.04689	1.1
203.08899	1.2
205.10574	1.5
205.14647	2.6
206.15479	1.6
208.07825	1.7
209.06334	1.9
212.07397	7.2
218.07228	1.4
219.07996	7.2
221.08038	2.0
221.09962	15.2
223.11504	30.8
226.08943	7.7
235.07538	2.6
236.08308	2.0
247.07430	2.3
247.11497	1.3
251.10753	9.2
252.07445	1.3
252.10561	3.3
264.14084	1.5
279.10126	7.5
292.13766	1.9
292.17316	1.9
293.12036	4.4
295.09158	1.9
310.11615	7.4
310.14688	100.0
311.05591	1.4
311.12195	4.5
311.15747	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03937	2.6
55.05513	27.1
55.25218	1.7
57.03414	3.2
57.07074	12.9
65.03941	2.4
67.05163	2.6
67.05504	40.7
69.03423	3.0
69.07069	54.8
69.95439	9.9
71.04990	9.9
71.08638	8.2
79.05067	1.6
79.05492	21.3
81.03391	5.6
81.07057	100.0
82.07354	1.7
83.04974	3.9
83.08614	31.1
85.06529	5.6
85.10174	3.4
91.05480	14.6
93.07047	31.4
95.04965	17.8
95.08604	92.3
97.06507	6.2
97.10165	18.1
99.08089	5.1
101.44392	1.6
105.07024	13.4
107.08591	26.2
109.06487	4.4
109.10153	57.2
111.08063	4.5
111.11703	14.3
119.04930	15.5
119.08602	8.1
120.05267	1.9
121.10158	22.6
123.08057	5.5
123.10813	2.2
123.11714	32.7
125.09587	2.6
125.13220	4.3
133.10144	7.4
135.11696	14.0
137.05867	1.5
137.09601	5.2
137.13255	14.7
139.11203	3.9
141.09077	2.3
147.04405	59.3
147.11681	9.5
148.04752	3.7
149.13232	14.4
151.11147	2.3
151.14799	3.9
153.12648	1.7
155.10680	3.0
161.13239	4.2
163.14847	11.6
165.05498	1.6
167.14319	2.4
175.14795	2.8
177.16351	2.6
179.17995	2.2
189.16405	4.4
191.17905	2.2
203.17918	3.9
217.19487	3.8
234.06721	2.6
234.52739	1.9
249.09143	3.1
273.25775	6.1
277.08698	4.4
291.08551	5.2
291.26849	11.5
309.11026	7.1
309.27872	21.3
310.08237	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	309.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05511	9.5
56.96568	2.0
57.03427	1.9
57.07075	6.8
59.04999	6.5
60.08602	0.8
65.03954	1.1
67.05502	17.0
69.03443	4.5
69.07066	24.3
69.81834	1.7
69.82240	4.3
71.04980	7.0
71.08636	2.6
73.06561	0.8
73.88625	0.8
74.62111	0.7
79.05490	10.4
81.03415	8.7
81.07055	58.8
82.07388	1.4
83.08612	11.1
85.02907	4.1
85.06536	6.9
91.05480	12.8
92.35593	0.8
93.07040	12.9
95.04983	2.4
95.08602	48.9
96.08931	1.0
97.10152	5.2
98.21436	1.2
98.97531	1.1
99.04449	1.1
99.08092	8.0
105.07027	5.6
107.08589	13.0
109.02892	3.2
109.10152	31.7
110.10466	1.0
111.08096	2.8
111.11734	2.8
113.09660	1.6
115.05495	0.9
119.04936	26.2
119.08585	3.6
120.05282	1.1
121.10131	8.4
123.11706	29.8
125.09599	1.3
127.03930	1.9
127.11169	4.3
129.07040	3.0
133.10146	2.2
135.11691	9.2
137.13271	8.4
139.11154	1.0
141.12772	2.4
145.10168	0.9
147.04402	100.0
147.11678	2.5
148.04738	6.1
149.01178	1.3
149.13245	10.0
151.14821	3.8
153.12717	4.0
159.11752	0.9
160.05273	1.0
161.06056	1.0
161.13252	2.2
163.14804	4.2
165.05542	2.5
167.14297	1.5
177.16446	2.8
189.16370	1.6
191.17953	2.4
193.19518	1.8
199.03917	1.2
203.17961	2.2
205.19543	3.2
206.07256	2.5
209.18872	1.0
214.08084	0.9
217.19490	2.0
221.09708	1.5
223.20584	1.5
234.06784	2.3
235.07309	1.2
249.09059	3.9
261.25876	1.1
265.25406	1.5
273.25763	3.2
277.08670	4.8
278.08893	1.2
279.26907	2.3
281.11728	5.1
290.96658	0.9
291.08643	6.1
291.26898	6.9
292.22830	1.4
294.08969	1.6
301.07162	2.8
309.11227	9.7
309.27856	7.8
310.11569	1.1
310.20288	0.9
310.23700	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2785
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
51.05456	1.7
51.81918	1.7
53.03934	3.2
55.01891	2.0
55.05505	29.9
56.96561	1.7
57.03413	2.9
57.07071	18.8
59.04989	2.2
63.47556	1.8
67.05503	35.9
69.03420	3.8
69.07065	61.0
69.46050	7.5
69.46483	9.5
71.04987	4.2
71.08625	11.1
76.52660	1.8
79.05490	23.4
81.03395	4.5
81.07054	95.8
81.38711	1.9
83.04952	7.5
83.08619	31.8
85.10172	4.9
90.52049	2.0
91.05471	13.5
93.07043	40.0
95.04931	5.6
95.08601	100.0
96.08926	2.4
97.10165	24.8
101.05991	2.5
105.07007	13.4
107.08588	28.5
109.06489	4.4
109.10149	67.0
111.08073	9.2
111.11725	11.2
116.98479	2.1
119.04904	12.9
119.08565	10.0
120.99075	2.2
121.10126	29.5
123.08081	2.4
123.11703	34.2
123.64481	2.1
125.09680	3.5
125.13263	9.3
127.07545	3.3
127.29137	2.0
133.10115	5.7
135.11682	28.4
137.05983	3.4
137.13225	23.0
139.11151	7.6
140.11876	2.0
147.04407	45.6
147.11650	11.0
149.13239	24.8
151.14803	7.1
153.12669	3.5
155.10634	2.6
161.13184	5.5
163.03894	3.3
163.14790	20.8
165.16365	3.6
167.14226	2.8
175.14780	2.7
177.16365	9.1
179.17944	3.0
189.16301	2.9
191.17917	7.2
203.17950	4.1
211.67235	2.0
217.19746	2.3
249.09108	2.7
273.25723	16.5
277.08478	3.9
291.08655	2.4
291.23730	3.0
291.26758	17.0
309.11194	5.9
309.27869	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	309.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.3
55.05494	14.2
57.03423	3.8
57.07058	8.9
57.57558	4.2
67.05499	44.8
69.07065	19.9
71.04977	6.1
71.08622	45.6
79.05491	33.7
81.03408	6.5
81.07056	49.4
83.04990	8.8
83.08609	11.0
85.06513	7.6
91.05479	23.1
91.93755	4.3
93.07030	50.7
95.04947	12.1
95.08580	31.9
97.06498	5.5
97.10167	5.2
98.20708	9.0
99.08083	35.5
105.07031	20.5
107.04954	8.1
107.08572	25.0
109.10146	9.2
119.08585	14.8
121.10133	22.3
123.08031	5.3
131.08557	6.1
133.10130	8.9
135.11694	33.0
137.09592	4.2
145.10112	6.1
149.13245	9.6
151.11183	12.1
159.11671	6.9
161.13248	9.4
163.11198	7.4
179.12718	6.1
179.14297	100.0
186.22127	3.9
189.12759	5.3
202.98105	4.0
209.02205	4.0
235.13513	4.3
255.92566	3.8
259.20557	6.4
271.40796	4.5
277.21609	44.3
309.32642	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	309.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.5
55.01862	4.6
55.05509	14.7
57.03421	6.9
57.07070	2.4
64.38671	1.8
65.03950	2.3
67.05498	31.2
69.03374	1.8
69.07063	15.3
71.04977	2.2
77.35136	1.8
79.05495	24.2
81.06573	2.9
81.07050	44.9
83.04957	3.7
83.08595	4.1
91.05475	32.6
93.06464	3.8
93.07034	60.6
95.04961	47.4
95.08600	36.4
96.98059	2.2
97.06537	16.2
99.70052	2.0
100.61939	2.0
103.05431	3.8
105.04486	2.2
105.07024	75.8
107.04943	4.6
107.08582	33.2
109.06504	10.8
109.10143	20.7
115.05404	3.3
117.06994	18.1
119.08575	58.2
121.06483	5.7
121.10133	100.0
123.08058	12.3
123.11684	7.7
128.06213	10.3
129.06995	13.5
130.07762	6.0
131.07600	2.1
131.08562	33.1
133.06485	3.9
133.07686	2.1
133.10120	37.0
135.08037	5.1
135.11670	8.4
141.06944	5.6
142.07779	13.7
143.08549	29.3
144.09315	7.6
145.10126	44.5
147.07997	2.8
147.11687	13.2
149.09578	4.8
149.13220	3.0
155.08554	10.0
156.09322	8.8
157.10123	30.6
158.10870	4.9
159.08057	3.4
159.11671	35.2
161.09593	8.3
161.13243	6.6
163.11049	2.4
167.08496	5.7
168.09311	3.0
169.10141	18.1
170.10870	3.6
171.11613	16.1
173.13216	17.0
175.11067	3.2
175.14705	9.9
179.08511	2.5
181.10089	6.7
182.10872	2.8
183.11684	15.3
185.09637	1.9
185.13159	9.2
186.74033	2.1
187.11137	8.3
187.14795	18.1
189.12766	3.5
193.10091	5.1
194.10873	3.7
195.11656	7.0
196.12440	3.3
197.13208	11.3
199.14926	12.0
201.12665	3.4
201.16483	2.8
206.10896	3.0
207.11707	5.6
209.13184	8.8
211.14793	7.9
213.16388	3.7
215.14287	4.8
221.13278	4.9
223.14824	4.4
225.12833	2.2
225.16304	6.8
235.14809	4.1
237.16344	2.4
239.14310	2.5
239.17924	5.3
249.16261	3.3
253.15866	5.9
253.19427	3.2
265.19531	3.9
273.12784	2.0
281.22629	6.4
291.20944	11.8
309.22079	82.7
310.22296	2.5
323.32458	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	309.2057
Annotation	Soraphen O
Peak:m/z	Relative Intensity
55.01859	5.7
55.05507	4.7
57.03433	32.8
67.05503	32.8
69.07038	4.3
70.18449	8.7
71.04970	2.6
75.15102	2.2
79.05490	16.9
81.07063	10.1
82.08006	1.7
83.04977	2.4
83.08604	1.9
85.06060	3.4
85.06535	35.3
86.47376	1.7
88.03214	1.9
91.05479	15.2
93.07036	10.1
95.04965	39.3
95.08595	6.8
97.97641	1.9
105.07017	10.9
107.04953	3.7
107.08597	7.2
109.06509	41.7
109.10141	2.7
113.06001	100.0
117.07016	6.4
119.08556	6.2
121.10171	2.8
123.08084	3.0
129.07022	3.0
131.08527	6.7
133.10094	3.2
135.08051	34.6
135.11670	3.5
137.06021	2.1
143.08548	4.0
145.10167	4.3
147.04362	2.0
149.09625	4.7
157.10204	1.9
159.11729	3.0
161.09608	4.9
163.11215	2.5
199.14870	3.2
217.15813	12.2
219.13557	2.0
220.49889	1.7
235.64589	1.7
273.18509	16.1
291.19507	46.9
309.21036	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.221
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03934	5.0
54.79322	2.3
55.01866	5.6
55.05508	15.2
57.03431	6.6
67.05502	25.1
68.69144	2.2
69.03383	2.0
69.07066	19.7
69.34825	23.8
71.04980	2.5
72.20374	2.3
73.22893	2.7
76.78506	2.1
79.05489	25.2
81.03394	2.7
81.07054	44.7
83.04951	4.3
83.08608	9.1
91.05471	39.6
93.07039	63.7
95.04969	54.0
95.08598	43.7
97.06514	14.0
103.05463	5.5
105.07024	81.5
107.08585	42.4
109.06494	11.4
109.10147	23.9
115.05444	5.0
117.07008	16.8
119.08573	61.8
121.06493	6.0
121.10136	89.9
123.08045	10.7
123.11688	10.0
128.06226	9.6
129.06989	15.9
130.07814	7.7
131.08574	33.8
133.10120	45.8
135.08070	4.7
135.11661	11.9
141.06979	7.6
142.07765	18.3
143.08554	31.7
144.09303	7.5
145.06421	3.4
145.10109	48.0
147.08041	5.5
147.11682	15.1
154.07793	4.4
155.08556	11.2
156.09332	13.9
157.10117	40.5
158.10889	4.2
159.08031	4.8
159.11687	37.0
161.09605	10.5
161.13222	8.8
165.07039	3.3
167.08551	5.8
168.09335	5.2
169.10106	16.5
170.10892	5.8
171.11711	24.3
173.09697	3.7
173.13226	19.6
175.14816	8.7
179.08606	6.3
180.09273	3.4
181.10094	7.8
182.10901	4.7
183.11703	11.8
184.12558	2.5
185.13248	10.2
187.11198	8.3
187.14816	15.0
189.12790	2.6
192.09236	3.9
193.10066	3.3
194.10934	5.0
195.11702	9.4
196.12379	4.0
197.13243	16.5
199.14798	7.7
200.15620	3.3
201.12709	4.3
201.16255	2.8
207.11646	7.0
209.13220	14.4
211.11353	3.0
211.14844	11.7
213.16302	5.0
215.14342	4.7
220.12581	4.2
221.13191	6.4
223.14833	7.6
225.12746	3.9
225.16452	7.0
235.14821	7.5
237.16406	4.6
239.14322	3.5
239.18005	3.3
249.16484	4.5
253.15764	5.7
261.16449	3.0
265.19550	5.3
267.17493	2.5
281.22549	7.6
288.26526	2.4
291.21017	11.3
309.22104	100.0
310.22305	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	Albocycline
Peak:m/z	Relative Intensity
51.48212	1.7
53.03924	4.0
53.24601	1.7
54.49708	1.5
55.01863	4.5
55.05508	30.1
58.01271	1.8
59.04998	3.0
67.05496	19.0
69.03433	3.5
69.06706	2.4
69.07056	15.2
71.04991	2.3
71.60017	3.3
71.60425	2.1
79.05485	17.8
81.03397	3.4
81.07056	22.9
83.04967	5.8
83.08619	16.3
85.37247	1.8
91.05476	13.8
93.07043	13.1
93.41451	1.6
95.04967	6.4
95.08614	8.4
97.06530	1.9
97.10162	21.7
105.07060	9.3
107.04946	2.8
107.08566	11.8
109.06480	3.1
109.10155	4.2
111.04431	3.3
117.07001	4.2
119.08553	10.2
121.06469	2.7
121.10139	3.4
123.04421	1.9
123.08112	8.3
125.09623	16.5
131.08554	7.0
133.06424	3.1
133.10118	3.5
135.08081	3.9
137.09480	2.0
143.08459	1.8
145.10138	3.2
147.04460	2.3
147.07954	3.6
147.11690	3.9
149.09537	2.3
153.09129	2.5
163.11214	1.9
165.09081	2.8
175.11168	2.1
189.11180	10.6
223.13268	3.2
228.04701	2.1
255.17487	2.4
273.18481	12.8
291.19507	100.0
292.19797	4.7
301.71854	1.8
309.17075	2.2
309.20731	5.0
309.32733	2.2
310.23471	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2057
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03937	5.9
53.23338	3.0
55.01865	20.1
55.05507	36.7
57.03430	11.1
57.07072	3.5
59.05004	3.4
65.03925	5.4
67.05499	78.4
69.03420	8.1
69.07064	29.7
70.27831	4.0
71.04974	12.0
79.05486	54.0
81.03421	5.1
81.06571	6.3
81.07053	95.6
83.04984	16.1
83.08611	10.3
85.06547	9.8
91.05474	64.9
92.93496	3.9
93.07023	55.2
95.04958	14.3
95.08601	35.0
97.06511	11.3
97.10131	3.5
99.04472	3.5
99.08097	3.5
105.07021	71.1
107.04935	11.0
107.08580	62.9
109.06471	16.7
109.10155	90.8
111.04413	6.5
111.08088	11.1
117.07007	7.8
119.08539	17.8
121.06475	16.0
121.10152	14.3
123.04427	5.8
123.08087	6.9
123.11724	13.8
125.09682	4.3
127.07600	4.9
128.06232	4.4
129.07013	7.3
131.08560	17.3
133.06497	10.8
133.10118	100.0
135.08069	9.0
135.11668	5.7
137.09558	4.7
139.07567	11.9
143.08562	5.0
145.10124	13.5
147.04460	3.8
147.08006	8.1
147.11636	4.8
149.09641	7.1
151.11171	59.8
152.11577	4.4
157.10144	7.1
159.11710	6.7
161.09631	14.0
161.13239	4.1
163.11128	5.0
165.09132	3.3
169.12247	12.8
171.11671	5.3
175.11166	7.0
179.10719	3.9
207.13850	3.6
215.12758	3.7
229.30296	3.7
245.18974	16.0
263.20047	18.7
273.18484	40.4
284.86591	3.1
291.19534	75.0
309.20648	30.1
309.25259	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	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52710	1.2
55.05512	7.5
55.05742	1.5
57.03434	10.3
57.07063	1.7
58.80225	1.5
61.02917	3.6
65.03905	1.5
67.05504	7.2
69.03421	10.0
69.07066	7.4
70.84642	4.5
71.01353	1.8
71.04994	26.4
73.02891	4.1
75.04481	14.0
79.05482	4.3
80.89204	1.3
81.03433	8.0
81.07066	9.2
81.51471	1.4
83.04984	10.7
83.08607	4.6
85.02901	100.0
87.04424	2.5
91.05480	10.9
93.07027	5.1
95.04942	2.8
95.08611	12.0
97.02886	6.6
98.69633	1.9
99.04478	1.8
101.06002	2.2
105.07045	1.8
107.04921	1.5
107.08580	4.8
109.02859	3.6
109.10150	5.7
111.04451	4.0
111.11749	2.2
119.04940	25.0
119.08551	2.1
120.97916	1.7
121.10140	3.2
123.04424	2.0
123.11679	3.6
127.03903	5.0
129.05481	23.2
132.97835	1.9
133.10020	1.6
134.99445	2.2
135.04382	2.0
135.11711	1.7
137.05858	1.4
138.99011	1.3
145.04939	1.9
147.04407	84.4
147.06398	13.2
149.13231	2.8
150.98860	3.1
153.00536	2.5
163.03886	12.6
165.05463	2.6
171.06531	1.8
207.01590	3.5
223.07446	2.5
234.06813	2.0
234.42659	1.5
249.09203	2.2
277.08734	3.3
281.11707	4.0
291.08624	4.7
291.26779	1.7
309.11234	7.7
309.16934	2.1
309.27731	2.6
312.74078	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.7
55.01859	0.7
55.05507	1.8
56.96559	2.1
57.03420	1.3
57.07067	1.2
65.03925	0.9
67.05501	2.9
69.03429	5.0
69.07063	4.4
70.24661	0.9
70.25068	1.3
71.04966	1.8
71.08628	0.5
73.02930	0.4
76.73512	0.3
79.05483	1.6
81.03413	13.6
81.07055	6.8
83.08593	1.8
85.02895	5.1
85.06522	1.5
91.05474	11.9
93.07039	2.5
95.04955	0.8
95.08032	0.7
95.08600	7.0
97.02880	1.2
97.06516	0.5
97.10151	0.7
98.21512	0.4
99.04428	1.3
99.08073	1.0
105.07028	1.0
107.08583	2.5
109.02863	5.4
109.10143	4.5
111.08064	1.1
111.11750	0.7
116.98525	0.4
117.03315	0.4
119.04935	25.2
119.08555	0.9
120.16364	0.3
121.10120	2.3
123.04417	0.5
123.11684	2.6
127.03903	1.7
128.98589	0.7
129.07019	0.6
131.04901	0.5
133.10121	0.7
135.11697	1.4
137.05965	4.9
137.09572	0.4
137.13248	0.7
143.00169	0.5
147.04396	100.0
148.04726	1.4
149.01224	1.1
149.13264	1.6
153.01755	2.1
161.01172	0.8
163.14789	1.0
165.05476	3.9
167.02222	0.5
177.05461	1.1
177.16402	0.7
197.01167	0.4
203.08556	0.4
206.07220	0.9
219.08148	0.5
221.09624	0.5
234.06825	1.1
235.07486	0.6
247.07620	0.5
248.08406	0.5
249.09045	1.4
251.07005	0.5
263.06845	0.4
270.65768	0.4
273.25641	0.5
277.08481	3.6
281.11749	1.1
281.84210	0.4
287.05472	2.3
288.05795	2.1
291.05640	0.4
291.08575	10.3
291.26822	1.7
294.08679	1.0
301.06985	0.5
309.11398	4.5
309.16745	1.5
309.27637	1.2
311.07806	0.5
321.10110	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.2
55.81688	1.0
56.96552	4.7
57.03432	11.0
59.04985	1.9
61.02916	4.0
69.03427	5.7
69.94395	5.5
70.45515	1.2
71.04987	52.2
72.93798	1.8
73.02905	4.1
75.04471	6.6
76.04826	1.1
81.03403	3.3
83.04967	9.7
84.08091	1.5
85.02895	100.0
87.04465	2.5
91.05476	1.4
95.16138	1.1
97.02888	5.6
98.20816	2.0
98.97576	4.3
99.04432	2.1
101.05999	4.8
102.26728	1.3
107.04931	1.8
108.53977	1.3
109.02859	2.4
110.25066	1.4
111.04440	5.4
112.07593	4.2
116.98637	3.1
119.01929	1.7
127.03915	4.0
129.05473	24.1
130.08632	5.6
132.95833	2.2
134.99660	1.8
140.00429	1.1
143.03415	1.4
143.71597	1.1
145.04970	3.3
146.99590	1.5
147.04431	3.6
147.06537	3.0
150.96881	6.4
153.01846	4.6
161.02858	1.6
164.08234	1.3
177.00691	2.2
181.16270	1.1
188.98489	1.8
197.01204	3.2
199.05449	3.3
232.67659	1.2
237.02779	1.6
255.98125	1.2
309.02567	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2217
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
56.78990	0.5
57.07059	0.9
58.54834	0.6
69.07053	0.9
71.08622	0.9
71.59064	0.7
76.02214	0.6
79.05492	1.1
81.07037	2.1
91.05459	1.0
94.04163	2.5
95.08624	1.1
109.06477	1.6
109.10170	0.6
119.50569	0.6
122.03651	7.6
137.05969	100.0
137.81395	0.5
138.06310	1.7
172.16978	1.5
184.16974	2.4
206.44179	0.6
291.22949	0.5
308.22531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01656	0.3
55.01869	2.8
56.96554	0.6
57.03422	1.1
57.97401	0.3
61.02928	0.7
65.03930	0.8
65.35878	0.3
65.57481	0.3
67.05505	0.5
69.03072	0.5
69.03426	8.6
69.07056	0.3
69.75591	1.8
71.04989	2.1
72.08145	0.5
73.02892	1.1
74.06108	0.3
74.15543	0.3
76.02216	0.7
76.69316	0.3
79.05486	0.4
80.63604	0.3
81.03416	5.8
81.03896	0.4
81.07054	0.8
83.04977	0.3
84.04486	0.5
85.02903	4.8
85.87096	0.3
91.05476	9.9
95.04975	0.7
95.08607	0.4
97.02888	4.5
97.06512	0.3
98.97523	0.4
99.04452	8.2
101.02358	0.5
103.05433	0.3
105.06964	0.4
107.04944	0.6
107.08575	0.5
109.02878	5.9
116.98629	0.4
117.07002	0.3
119.04936	25.3
120.05259	0.4
120.08096	0.7
121.10139	0.4
123.04411	0.8
127.03911	15.8
129.05482	0.8
137.23744	0.3
145.04944	0.7
145.10149	0.5
147.04401	100.0
148.04720	1.2
163.03941	0.4
165.05461	4.7
166.03973	0.7
177.05511	0.5
208.02783	1.5
219.06569	0.5
235.13164	0.3
249.09192	0.6
277.08740	0.7
291.08539	1.9
294.08847	0.5
309.10208	1.6
309.13879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03933	2.8
53.63001	1.1
55.01852	2.0
55.05508	26.1
56.96547	1.5
57.07076	8.3
59.04995	2.3
62.30915	1.1
65.03922	2.0
67.05502	35.9
67.17109	1.2
69.03410	3.6
69.07066	60.7
69.74527	6.9
71.04991	18.6
71.08646	2.2
73.06554	1.4
76.02202	2.8
79.05490	23.2
81.03399	3.3
81.07054	100.0
83.04987	5.9
83.08617	16.4
85.06548	6.4
91.05476	14.6
93.07039	48.0
95.04961	5.3
95.08605	88.8
97.06519	11.0
97.10167	6.3
99.08084	4.7
105.07029	30.6
107.04931	1.8
107.08591	38.9
109.06520	7.1
109.10153	49.2
111.08058	9.0
111.11715	10.9
111.28123	1.2
116.98598	1.2
117.07008	1.8
119.08583	18.5
121.06514	1.7
121.10133	36.5
123.08080	2.6
123.11701	35.2
125.09620	3.3
125.13271	2.9
127.11175	4.5
131.04878	1.5
131.08551	4.8
133.09088	1.6
133.10127	9.8
134.09630	5.5
135.08035	2.0
135.11685	22.5
137.09601	2.1
137.13240	16.8
139.03880	1.8
139.11182	10.6
141.12808	2.3
145.10115	5.2
147.11685	17.2
148.11206	9.3
149.13252	26.4
151.11176	4.5
151.14784	1.9
153.12759	4.9
159.11659	5.9
161.13191	6.8
162.02306	1.2
163.03877	1.9
163.14798	5.5
165.12747	14.3
167.14279	2.5
173.13278	2.2
175.14819	5.1
177.12784	1.9
177.16368	5.4
179.14323	1.4
184.44777	1.2
187.14842	3.6
189.16353	3.8
191.17976	3.1
195.17490	1.6
201.16389	2.3
203.17989	6.5
205.19502	1.7
209.18930	1.8
215.17912	2.4
229.19498	1.3
245.22714	2.6
264.07831	1.6
265.25320	1.3
267.09039	2.0
271.24188	5.6
289.25241	13.8
307.09525	2.4
307.26288	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	56.7
58.03743	0.7
69.07069	0.9
69.56228	1.0
69.56638	4.0
71.95264	7.1
72.96049	4.0
74.97595	1.6
76.02211	0.8
76.21577	0.6
79.05472	0.9
81.07033	1.8
84.96027	1.6
92.98619	0.8
93.07024	1.6
95.08569	1.5
100.99657	0.6
110.99612	0.8
119.04921	1.1
123.01155	1.0
128.98608	1.5
133.01721	1.1
133.10138	0.8
137.02731	2.4
139.00676	1.2
141.02211	1.6
145.01691	0.7
146.99626	1.6
147.04410	3.3
155.03754	3.3
157.01736	1.8
159.03282	3.7
169.05336	1.0
171.03279	3.7
173.04808	1.1
175.02788	1.3
177.04358	1.7
183.06949	0.7
185.04893	3.1
187.02728	1.0
189.04311	3.2
193.09045	1.1
195.06903	0.8
199.02756	1.6
199.06474	0.9
203.02235	0.8
203.05919	2.5
211.06355	2.2
213.07928	1.1
217.03796	2.8
217.07455	1.3
219.07083	0.7
221.08640	0.9
223.09955	4.7
229.07449	2.3
231.09067	0.8
237.07936	1.1
239.09639	1.3
241.11101	58.8
249.07895	2.2
255.09064	1.7
259.12167	100.0
260.12595	1.4
264.12714	5.4
267.08981	13.9
277.06497	0.6
277.13184	1.2
282.13806	5.3
285.10077	69.4
290.10583	0.8
303.11130	58.1
304.11401	1.1
308.11740	7.3
308.26730	0.9
326.12769	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	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
52.15722	2.1
54.47715	2.3
55.05508	21.0
55.56075	1.9
57.07067	9.4
61.21567	1.9
65.10162	1.9
67.05503	29.2
69.03429	2.4
69.07066	54.0
70.06601	3.1
71.04958	5.4
71.08620	2.4
71.11961	4.6
79.05489	18.8
81.07055	100.0
83.04978	4.4
83.08613	16.1
85.06544	6.1
85.10217	2.2
91.05473	17.1
93.07051	37.5
95.04969	8.5
95.08604	86.3
97.06518	7.1
97.10167	8.6
99.08112	2.2
105.07025	36.5
107.08596	28.4
109.06506	8.6
109.10155	49.3
111.08071	4.9
111.11710	9.9
119.08575	18.9
121.10140	39.1
123.08084	3.5
123.11702	33.4
125.13262	2.7
127.07598	3.7
131.08566	3.8
132.10190	2.5
133.10098	11.2
134.09660	28.4
135.11694	20.1
137.09558	5.1
137.13266	16.0
139.11168	10.1
141.09085	3.1
145.10149	5.0
147.11690	19.4
148.11230	11.0
149.13252	15.8
151.11177	8.3
151.14836	5.2
153.12743	2.2
155.10616	2.3
159.11732	7.3
161.13292	9.5
163.03871	2.1
163.14859	7.2
165.12730	18.6
173.13213	3.0
175.14803	6.3
180.56796	2.3
183.13864	3.0
189.16383	3.8
191.18016	2.7
201.16418	2.7
203.18018	3.1
215.17989	3.8
263.23813	2.2
271.24130	14.7
289.25250	16.0
307.09280	2.7
307.20486	3.9
307.26361	51.8
329.00864	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03940	2.9
53.38843	1.3
55.01862	1.6
55.05511	19.9
57.07075	8.7
60.64695	1.2
61.02911	1.4
61.69548	1.1
67.05505	38.1
69.03423	2.2
69.07068	44.8
69.38696	1.4
71.04988	1.9
71.08627	4.3
71.59893	2.6
79.05489	24.8
81.03410	2.6
81.07054	96.8
83.04993	2.8
83.08620	17.9
85.06534	3.1
85.10179	1.6
86.88737	1.3
91.05477	18.3
93.07041	39.9
95.04961	7.8
95.08603	100.0
97.06512	4.3
97.10170	11.6
105.07030	28.9
107.08591	36.1
109.06492	5.7
109.10151	58.3
109.10915	2.4
111.08076	5.1
111.11713	10.4
117.07054	3.7
119.08581	19.8
121.06493	1.4
121.10141	30.7
122.38156	1.4
123.08049	5.1
123.11697	33.5
125.13257	3.8
127.07560	8.4
130.06514	2.7
131.06961	1.4
131.08554	6.2
132.07272	1.4
133.08881	4.3
133.10114	20.8
135.11676	22.8
137.06015	1.5
137.09630	7.1
137.13252	21.8
139.11180	2.7
145.10107	7.9
147.11685	18.3
148.11198	55.6
149.13264	22.2
151.11111	3.1
151.14792	7.5
155.10654	3.8
159.11708	7.2
159.52039	1.4
161.13232	12.3
163.03873	2.9
163.14828	12.0
165.12733	8.3
165.16455	2.8
169.12239	2.2
173.13229	4.2
175.14839	10.4
177.05498	1.8
177.16345	5.2
179.14308	4.2
179.17935	1.8
180.84138	1.2
187.14830	2.9
189.16399	7.1
191.17900	2.3
193.15820	2.1
197.75098	1.5
201.16397	6.3
203.18045	2.6
205.15804	1.8
215.17958	5.9
234.24393	1.4
245.22623	2.2
247.24214	2.8
261.25919	1.7
269.64798	1.4
271.24194	24.2
271.54474	1.3
289.25299	17.1
307.06223	3.0
307.09683	4.5
307.20273	3.9
307.26306	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2628
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03952	0.2
55.05507	2.2
56.96555	0.5
57.03414	0.3
57.07063	0.8
67.05502	4.0
69.03419	0.4
69.07060	4.5
70.06561	0.3
70.84843	0.7
71.04982	0.8
71.08621	0.5
72.30051	0.2
74.73667	0.2
79.05489	3.1
81.03391	0.4
81.07052	10.1
83.04961	0.7
83.08616	2.0
84.04485	0.3
85.02901	0.9
85.06525	0.7
86.09723	0.4
91.05476	2.3
93.07044	4.5
95.04951	1.1
95.08596	9.7
97.06499	0.8
97.10145	0.9
98.97559	0.4
99.08043	0.4
103.05426	0.4
105.07022	5.6
107.07932	0.4
107.08580	3.7
108.08101	1.1
109.06503	0.9
109.10149	5.1
111.08064	0.9
111.11710	0.7
116.98595	0.6
117.07018	0.6
118.06631	0.2
119.08575	2.3
121.10146	3.0
123.08085	0.4
123.11691	4.2
125.09598	0.4
125.13278	0.4
127.07554	0.3
129.07010	0.3
131.03305	0.3
131.04919	0.6
131.08577	0.6
132.95813	0.3
133.08861	9.0
133.10101	2.2
134.09258	0.3
135.11702	2.7
137.05960	0.8
137.09639	0.5
137.13235	1.5
139.11174	0.6
141.09073	0.3
145.10130	0.9
147.04402	0.5
147.10536	0.4
147.11624	1.5
147.94896	0.2
148.11197	100.0
149.05940	0.3
149.11559	2.3
149.13211	2.0
151.11143	0.4
151.14761	0.5
153.01791	0.4
155.10706	0.3
159.11661	0.7
161.13226	1.3
163.14818	1.1
165.12737	0.6
173.13217	0.4
175.14813	0.8
177.00804	0.3
177.16336	0.8
178.15965	0.3
179.14345	0.5
186.31369	0.3
187.07509	0.6
187.14761	0.5
189.16418	0.6
199.07585	0.3
201.09125	0.4
201.16339	0.5
203.17967	0.5
215.06880	0.4
215.17929	0.5
225.73657	0.2
236.08200	0.3
236.91743	0.3
238.10770	0.9
240.12286	0.3
243.06511	0.3
264.07755	0.4
271.24188	2.4
287.05521	0.5
289.25211	2.3
292.07397	0.4
293.08084	0.3
307.06018	1.3
307.09451	0.8
307.20166	7.1
307.26151	4.2
308.15292	0.3
308.18204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76512	0.1
57.48258	0.1
69.58366	0.7
74.93791	0.1
79.05497	0.2
81.07042	0.1
91.05463	0.6
98.21494	0.1
103.05436	0.2
104.06246	0.2
105.07027	2.8
107.08610	0.1
117.07064	0.1
132.08058	0.5
133.08867	9.0
146.09595	0.2
147.10446	0.2
148.11203	100.0
149.11554	1.2
198.57620	0.1
307.05966	0.2
307.20145	7.9
308.20340	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2054
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
55.05504	8.2
59.43297	3.3
60.93422	3.1
65.03939	3.1
67.05505	14.1
69.07070	8.8
71.58969	6.2
79.05475	16.6
81.07051	21.8
83.05000	6.1
91.05452	18.5
93.07050	20.8
95.04966	20.2
95.08604	12.0
97.06529	10.4
101.12492	3.3
105.07037	39.7
107.04935	7.1
107.08563	9.8
109.06480	4.1
109.10078	4.3
115.05426	4.6
115.48403	3.3
117.07008	10.3
119.08592	32.5
121.06460	3.8
121.10145	13.6
123.08067	4.4
126.45575	3.4
126.48328	3.8
128.06198	7.8
129.07014	11.3
131.08536	21.6
133.10095	44.0
141.06987	10.4
142.07771	12.6
143.08559	33.0
144.09419	5.5
145.10124	23.3
147.07990	9.5
147.11700	7.3
148.11217	14.2
149.09630	4.4
153.06955	3.6
154.07765	7.2
155.08548	11.5
156.09315	8.9
157.10135	25.3
159.11642	17.2
161.09616	10.5
167.08562	15.4
169.10159	23.1
170.10899	6.6
171.11685	15.9
173.13260	11.2
178.07808	4.2
179.08611	9.3
180.09373	5.2
181.10104	15.8
182.10905	18.0
183.11647	11.2
185.09573	5.0
187.11217	6.5
187.14822	4.6
192.09404	4.4
192.80534	4.3
193.10043	20.2
194.10855	5.7
195.11726	15.1
196.12370	5.6
197.13205	17.1
199.14792	4.3
203.08597	4.5
205.10272	3.3
206.10960	9.6
207.11710	14.9
208.12471	9.5
209.13249	14.8
211.14870	9.3
217.10199	7.5
219.01813	3.5
219.11690	7.3
220.12463	5.0
221.13283	21.3
222.14037	5.1
223.14888	16.0
231.11539	6.6
232.12535	5.4
233.13245	15.5
235.14861	7.8
237.16582	8.6
245.13225	5.2
247.14795	7.3
248.15486	6.9
249.16403	6.5
251.11418	3.8
251.14095	7.6
259.14810	14.5
263.17886	20.1
265.15851	6.0
274.17093	10.9
279.21008	9.2
289.19678	19.4
307.20569	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	18.4
55.01868	54.4
55.05502	28.4
57.03424	5.7
57.07074	4.5
58.50592	2.9
67.05505	55.9
69.07066	50.3
69.25691	36.5
79.05489	58.3
81.03425	35.4
81.06573	5.5
81.07052	91.2
81.07519	5.3
83.04989	17.3
83.08619	14.0
85.06543	6.4
88.60316	3.5
91.05476	51.9
93.07034	55.7
95.01322	4.2
95.04951	21.0
95.08602	46.7
97.06527	100.0
97.07141	6.6
97.10164	12.7
105.07032	73.6
107.04954	32.8
107.08578	33.0
109.06509	11.8
109.10145	12.3
111.08087	4.1
114.48891	3.2
117.07022	18.3
119.08580	36.2
121.06516	6.6
121.10146	13.7
121.91234	3.1
123.04419	3.2
123.08064	10.7
123.11703	6.8
125.09644	14.3
129.06979	3.3
131.08549	23.5
133.10126	39.6
135.08044	8.6
135.11713	17.6
137.06032	3.9
137.09634	7.5
141.07036	3.9
143.08566	3.5
145.06482	5.4
145.10101	20.7
147.11685	12.2
149.09613	27.8
149.13280	6.6
151.11212	8.4
153.09138	3.7
157.10146	5.8
159.11665	26.6
161.13257	10.5
163.11203	10.9
165.09169	5.3
169.10117	6.4
173.13260	8.3
177.12744	18.6
179.14334	14.5
183.11766	3.7
187.11186	9.9
193.12317	4.3
203.12758	6.9
205.12251	3.7
209.15431	5.7
219.13884	3.1
219.17392	28.9
229.19508	5.7
239.17883	6.7
247.20618	8.3
257.18997	10.7
275.20044	90.5
276.20294	4.1
307.22675	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.9
55.01868	3.0
57.03433	8.0
57.07710	1.5
58.51439	1.5
61.02924	1.9
62.04272	1.7
67.01871	4.0
67.05489	1.7
68.99802	4.1
69.03069	3.1
69.03426	39.8
69.32237	1.5
69.50330	14.0
71.04996	10.4
72.93784	1.7
73.02920	4.6
76.02208	3.1
77.19210	1.8
81.03414	35.6
81.07055	5.4
83.01379	1.5
83.04976	3.0
85.02901	81.3
87.04478	2.1
89.34795	1.6
91.05475	6.4
95.05001	2.4
97.02888	43.2
99.04453	43.2
99.08093	7.9
100.02184	2.4
103.03939	66.4
105.47208	1.8
107.04926	2.5
108.87557	1.6
109.02867	29.4
109.06563	2.7
111.04420	2.7
115.03912	2.1
115.05465	1.5
117.09116	6.9
119.04938	9.3
123.04424	60.3
123.05315	3.1
126.03714	3.3
127.03913	100.0
127.07582	3.2
128.04260	2.4
132.95834	7.2
135.04446	2.7
137.02336	4.9
139.02133	5.3
139.03899	43.2
144.01192	1.5
145.04948	24.6
147.04416	43.2
148.04774	2.4
150.96872	3.8
155.03387	93.0
155.23711	1.9
156.03752	5.8
163.03911	4.0
163.06067	5.3
165.03755	10.2
165.05478	22.2
169.06496	2.0
173.05994	2.5
174.96910	3.3
177.05482	4.8
179.04854	1.9
181.93465	1.7
187.05980	18.3
191.08200	2.3
195.10071	2.5
201.05411	2.2
203.07031	2.0
205.07095	7.1
215.07083	1.7
216.97992	6.6
229.04948	2.0
243.06734	3.2
244.43965	1.7
245.08151	1.9
252.07202	2.1
256.08374	1.8
271.05850	2.0
271.08502	2.0
289.07010	5.6
293.08844	2.0
299.95529	1.7
307.09619	1.9
307.12967	5.7
308.13214	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	307.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.7
56.05024	2.2
56.96553	1.2
58.06601	4.2
69.03422	1.1
69.07021	0.6
71.50912	0.9
74.02444	0.6
81.03394	0.5
84.04502	21.4
84.08140	100.0
85.02901	1.4
85.04103	0.6
85.08478	0.9
86.06065	6.7
86.09697	5.5
88.03977	0.6
97.02900	0.8
98.97578	0.7
103.03945	0.9
107.04922	0.5
109.02865	0.5
111.04447	1.2
116.98614	0.4
121.10121	0.5
123.04437	1.5
127.03925	1.5
130.04959	0.5
130.08665	1.5
137.02303	0.7
138.97897	0.5
139.03909	10.8
141.13849	5.5
145.89230	0.4
146.06006	17.2
146.99643	0.5
153.01884	0.5
155.03406	1.8
161.05963	0.5
169.13362	8.3
187.86200	0.5
189.05499	0.6
198.11319	1.8
215.13899	33.4
216.14163	0.7
243.17033	49.2
244.17444	1.2
261.16113	0.6
262.10989	3.1
289.07184	0.5
307.16809	13.1
307.20157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0811
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
51.05827	1.4
53.00306	1.4
53.66556	1.2
55.01848	1.7
56.86263	1.2
56.96558	3.3
57.33226	1.3
65.03927	1.6
67.05492	1.5
68.99778	2.9
69.61967	2.7
69.62370	7.1
71.01341	2.8
72.10268	1.1
81.03406	4.6
85.02905	11.0
97.02915	2.7
98.20528	1.5
99.04447	2.4
103.05488	1.4
107.04948	4.2
109.02873	3.2
111.04437	2.9
113.02320	1.4
116.98669	2.0
121.02848	1.5
123.04448	12.3
126.65505	1.4
127.03912	86.8
131.04892	2.2
135.04414	20.4
139.03900	100.0
147.04446	1.7
149.02348	1.5
149.05922	2.2
151.03905	4.8
153.01804	3.2
153.05450	3.0
155.03383	66.8
159.04416	4.1
161.06001	2.1
163.03889	30.7
167.03380	2.4
169.04965	2.5
173.06120	1.7
177.05484	3.0
181.04959	6.2
187.03918	2.5
195.06483	3.5
196.99026	1.9
197.05943	1.6
205.05022	1.9
226.44118	1.6
243.06508	3.2
263.05142	1.4
271.06061	10.8
289.06979	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	307.0807
Annotation	Leucocyanidin
Peak:m/z	Relative Intensity
50.19816	0.7
53.03922	0.9
55.01860	1.2
57.03390	0.7
61.33069	0.6
65.03924	1.3
67.01848	4.3
67.05489	1.2
67.39902	0.7
68.99780	8.3
69.72089	2.5
69.72514	2.0
79.05463	1.2
81.03401	2.6
85.02889	1.7
91.05476	6.1
93.03372	0.9
95.04958	1.7
95.77894	0.7
97.02851	2.0
98.21491	0.9
99.04440	1.0
103.03939	1.5
105.03398	0.9
105.25415	0.7
107.04908	1.7
109.02866	2.9
111.04429	2.8
119.04927	13.9
121.02800	1.0
123.04414	63.2
124.04666	1.0
127.03926	4.4
129.06911	1.4
131.04880	2.6
132.95869	0.9
135.04407	1.7
137.02330	5.8
137.05989	2.0
139.03889	42.4
147.04398	42.4
148.04861	0.8
149.05899	1.3
151.03880	2.5
153.05377	0.7
155.03375	100.0
156.03700	4.5
157.03839	0.9
157.06538	1.3
159.04391	2.3
161.05975	1.2
163.03862	5.2
165.05469	22.1
167.03432	1.1
169.04926	0.7
169.06505	0.9
173.05968	2.3
174.96910	0.8
175.07521	0.8
177.05473	6.2
181.04964	1.6
187.03889	2.0
187.07561	1.1
197.05916	1.6
201.05457	2.2
203.07025	1.9
205.04912	1.2
215.07002	2.0
219.06522	1.3
229.04967	3.1
243.06483	3.6
247.05948	1.7
271.05923	3.2
289.07013	7.4
291.38135	0.7
307.07852	1.7
307.12976	1.1
307.16278	0.8
308.12930	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16266	0.4
61.69863	0.4
69.07056	1.4
69.33147	2.0
69.33575	2.8
74.34866	0.5
79.05492	0.8
81.07034	0.7
93.07000	0.7
94.04166	1.8
97.06512	0.5
107.08549	0.6
109.10135	0.9
122.03633	6.2
133.10110	0.8
135.11710	1.6
137.05972	100.0
138.06264	1.6
153.12755	1.0
170.15402	1.5
182.15340	1.5
192.51248	0.5
193.27567	0.5
218.01064	0.5
306.20581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47367	6.1
56.96543	15.4
71.04987	6.1
71.58583	11.3
81.03413	9.8
97.02879	8.4
98.97615	8.5
101.00871	20.7
115.02444	9.3
116.98621	6.2
119.01919	96.0
122.07116	8.8
130.90070	5.5
131.01933	13.0
133.03467	27.2
137.02936	19.7
139.03969	6.0
143.01894	6.4
145.03487	11.3
147.05009	8.2
155.01924	9.2
157.03517	10.4
161.03023	14.8
164.08118	6.4
173.02948	7.2
175.04515	9.2
185.02946	5.4
187.00873	20.5
205.01860	7.7
215.00310	25.3
221.04890	5.9
235.06636	7.8
247.02946	36.4
253.07776	6.8
289.03925	7.2
295.08826	8.5
307.07855	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.081
Annotation	(+)-Gallocatechin
Peak:m/z	Relative Intensity
53.03937	3.4
55.01867	2.0
57.03437	4.2
57.74489	1.2
61.02918	2.0
65.03944	1.6
67.01864	5.1
67.05486	1.8
68.99783	8.2
69.03427	23.2
70.97812	2.4
71.04993	4.8
73.02904	2.1
81.03414	17.2
81.07071	1.7
85.02905	35.9
91.05474	6.0
97.02891	19.9
99.04444	17.7
99.08079	2.7
103.03941	29.2
103.05454	1.3
109.02880	14.7
111.04436	2.4
113.02341	1.4
117.09113	1.9
119.04935	13.2
121.02933	1.5
121.10141	1.2
123.04429	61.4
123.05322	3.1
123.10323	1.5
127.03917	49.2
132.95853	3.7
135.04440	3.0
137.02336	4.8
139.03899	36.9
145.04955	11.1
147.04395	37.2
147.05496	2.4
150.96931	2.7
151.03940	2.8
155.03392	100.0
155.86710	1.3
156.03737	4.1
161.06046	2.6
163.03900	4.8
165.03864	2.8
165.05490	19.9
173.06000	1.5
177.05476	5.3
187.03960	1.8
187.05969	4.2
187.07463	1.3
191.08156	4.8
201.05484	1.7
203.07123	1.7
205.07065	3.5
216.97943	4.1
229.04958	1.9
234.99083	1.7
243.06409	1.9
271.05972	2.9
288.42838	1.3
289.07111	3.7
307.08212	1.6
307.12811	4.7
308.13104	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	305.1341
Annotation	2'-Deoxymugineic acid
Peak:m/z	Relative Intensity
55.01857	0.7
55.93502	1.1
56.05031	5.8
56.96561	6.4
57.03434	3.1
58.06601	3.7
60.04522	0.9
61.02913	1.5
68.05030	3.4
69.03414	1.6
69.43225	5.9
70.06586	20.5
71.42026	0.6
72.08131	1.0
73.02882	0.6
74.06070	0.7
74.98876	0.6
80.65197	0.6
81.03391	1.9
84.04483	1.4
84.08128	1.8
85.02898	5.6
86.06062	24.2
87.04424	0.8
88.03989	6.0
96.08120	1.0
97.02866	2.5
98.06050	0.6
98.97574	3.6
100.07605	2.6
102.05517	2.7
103.02441	1.0
103.03936	7.0
107.04956	2.6
109.02931	0.7
112.07587	4.3
114.05521	70.8
114.09145	2.4
115.03706	1.9
116.98577	3.8
119.01905	1.3
123.04414	2.7
125.02322	0.9
127.03910	1.8
128.07056	1.8
128.98575	1.0
130.04976	6.5
131.01869	0.9
132.06502	1.5
134.99648	1.6
137.02298	0.9
139.03899	1.3
140.07047	5.6
142.04993	1.2
142.08621	26.3
143.03383	10.1
146.08101	7.8
147.04393	1.0
149.02309	1.4
150.99023	0.7
153.01793	3.5
153.05411	2.0
158.04520	1.2
158.08118	11.0
159.11378	0.7
160.09680	4.5
162.99077	1.2
168.06577	2.9
169.09740	6.0
171.11247	1.2
173.02971	0.7
175.04013	0.7
177.04237	1.1
179.03503	1.1
181.00145	1.0
185.01950	0.7
185.09233	1.0
186.04729	5.4
186.07597	100.0
186.54866	0.9
187.07875	1.1
189.02377	0.7
190.98674	0.7
193.00223	0.9
197.09198	6.5
197.55490	0.7
203.03279	0.7
204.08673	9.6
205.00317	0.8
206.97952	0.7
207.03493	0.8
215.10254	1.7
223.01292	1.2
224.04041	0.6
241.11806	5.1
243.03630	1.3
259.05807	0.9
259.13010	1.7
269.11234	0.8
287.12344	50.0
288.12537	1.0
305.08340	6.5
305.13181	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	305.1341
Annotation	2'-Deoxymugineic acid
Peak:m/z	Relative Intensity
55.01854	1.9
55.93522	1.0
56.05025	7.3
56.96290	1.4
56.96561	23.7
57.03433	4.8
58.06575	3.2
60.04519	1.1
60.95845	1.4
61.02916	4.2
68.05028	4.6
69.03426	5.5
70.06589	20.7
70.98103	3.3
71.58752	1.2
71.59110	1.1
71.95250	1.0
72.08134	1.8
73.02904	2.7
74.97599	1.1
81.03408	3.1
83.69925	0.9
84.08109	1.6
84.96040	1.2
85.02907	11.6
86.06059	24.5
87.04421	1.6
88.03992	5.4
95.04986	1.2
96.08089	1.9
97.02892	4.5
98.97583	12.9
99.04412	1.3
100.07602	1.3
101.02362	1.1
102.05518	2.5
102.96896	1.4
103.02420	1.7
103.03931	8.0
107.04965	5.6
109.02852	2.3
110.97578	1.4
112.07581	3.7
112.99104	1.1
114.05522	78.2
114.09148	3.1
116.98610	9.6
118.94345	0.8
119.01911	4.4
120.97941	1.3
121.01466	1.4
121.03501	1.6
123.04414	5.5
125.02334	1.9
127.03922	4.4
128.07047	2.0
128.98611	2.8
130.04984	7.6
130.08611	0.9
131.00119	1.9
132.06532	1.2
134.99640	5.8
137.02248	2.2
139.03938	1.4
140.07054	4.9
142.04984	1.8
142.08623	22.6
142.96513	1.8
143.00189	1.3
143.03377	18.8
143.08112	1.4
144.98079	2.5
145.03387	1.1
145.04973	1.2
146.08116	8.2
146.99638	4.1
147.01337	2.5
147.04388	1.2
149.01198	1.9
149.02258	1.3
153.01840	8.5
153.05432	2.3
158.04482	1.0
158.08096	11.6
158.99663	1.6
160.09619	4.4
160.97517	1.9
161.01134	2.0
161.03004	1.5
162.03668	1.4
162.99120	3.3
165.00702	2.8
168.06499	2.2
169.09734	5.9
173.03026	1.1
174.99110	2.9
177.00711	2.5
177.04128	3.7
178.03287	1.0
178.04887	2.5
181.00180	2.9
185.09158	1.3
186.04701	11.2
186.07599	100.0
188.97021	1.9
189.00778	1.9
189.02364	2.0
190.98671	2.3
193.00180	3.9
193.54225	1.1
195.04979	1.7
196.99110	1.2
197.09285	5.1
198.61063	1.0
199.01405	1.2
202.98686	1.9
204.08652	8.1
205.00182	4.1
206.02522	1.2
206.98180	2.8
207.01703	2.2
207.03416	1.7
208.99696	1.6
209.03186	1.4
211.02768	1.1
214.53606	1.5
215.03075	3.8
215.10246	2.3
219.01834	1.3
220.99680	1.2
223.01151	8.2
224.04411	1.6
230.97980	1.9
231.06473	1.4
232.99667	1.1
235.01302	1.0
237.02895	1.2
241.02206	1.4
241.11887	6.0
243.03427	2.2
259.05939	1.1
263.00696	2.5
269.11383	1.2
269.66711	0.9
277.13776	1.1
281.01764	1.3
287.05606	1.9
287.12363	44.1
305.06262	2.0
305.08801	1.6
305.13538	20.0
310.18707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51619	0.7
55.01851	2.1
55.05487	3.2
57.03426	1.5
62.36795	0.7
67.05505	4.9
68.99770	2.0
69.03410	1.1
69.07049	2.9
71.04952	1.6
71.59790	1.1
79.05487	4.1
81.03407	1.2
81.07048	7.1
83.04945	2.8
83.08614	1.0
84.08138	2.5
85.06536	1.1
91.05476	3.8
93.07035	5.2
95.04948	3.4
95.08583	7.6
97.02910	1.4
97.06509	3.6
97.10159	0.7
103.05457	1.7
105.07037	4.8
107.04932	2.1
107.08572	3.9
109.02821	1.1
109.10156	4.7
111.00802	0.9
112.01081	0.8
115.05434	5.3
116.98617	1.1
117.06992	2.3
119.08566	3.1
121.02823	2.3
121.10122	4.0
123.04422	6.6
123.11658	1.6
127.03918	0.9
129.06989	2.6
130.04138	0.7
131.04895	3.7
131.08533	2.4
133.06483	1.7
133.10123	2.3
135.04434	1.6
135.11661	1.9
137.02341	5.7
137.06017	1.0
137.09525	1.1
138.02661	1.6
139.02748	2.1
139.03880	2.6
139.05391	1.1
140.06227	0.9
141.06960	3.6
142.07744	2.8
143.04922	8.4
143.08554	2.3
145.06497	4.4
145.10123	2.1
147.04399	5.9
147.11597	1.5
149.02345	2.5
149.05969	3.9
149.13214	1.4
152.06181	1.3
153.01802	7.8
153.06967	2.6
154.02136	2.3
154.07819	1.1
155.02252	4.4
155.04924	5.4
155.08549	14.5
157.06497	0.9
157.10147	4.4
159.04396	2.8
159.11676	1.1
160.05188	5.8
161.05972	18.2
161.13307	1.1
162.06628	1.1
163.03918	1.9
163.14807	1.6
165.01768	1.1
165.04300	1.3
165.06966	3.7
166.02200	0.8
167.02287	1.2
167.08545	4.5
168.05696	5.1
169.06470	2.9
169.10088	2.3
171.04355	1.4
173.05975	18.6
173.09686	0.9
174.03090	1.3
174.06667	2.8
175.03941	3.8
175.07533	3.3
176.14326	1.7
177.05472	4.2
181.06364	1.0
183.08041	14.6
184.05229	0.8
185.03461	1.0
185.05984	3.0
185.09615	4.7
185.13269	1.0
186.06737	5.5
187.03867	11.8
187.07523	7.3
187.14880	1.0
188.04558	1.2
189.04132	1.0
189.05496	9.4
189.09154	1.4
190.06206	1.4
191.07014	1.9
195.08002	5.8
196.05183	2.1
197.09563	1.6
200.04640	6.8
200.08353	1.0
201.05492	8.2
201.09097	22.4
202.05876	1.5
202.09808	2.3
202.52904	0.9
203.03430	1.0
203.05962	1.9
203.10649	9.3
205.12228	1.1
211.07507	8.5
213.05370	1.2
213.09029	6.1
214.06223	5.1
214.09558	0.8
215.07054	1.0
215.10649	8.7
216.04129	1.2
217.04961	4.0
221.04448	1.0
223.07507	0.9
225.09065	1.1
228.10779	1.7
229.04883	3.7
229.08580	79.8
230.05318	1.2
230.09070	4.4
231.05493	5.3
231.10130	12.7
233.11726	3.3
239.25465	0.8
241.08575	5.5
241.11533	1.2
243.10162	5.0
245.04425	3.2
249.06731	0.9
257.04355	1.1
257.11078	3.0
259.05435	4.2
259.09634	31.3
260.10239	1.0
261.11185	10.5
269.08090	2.0
269.22766	1.1
287.04593	2.7
287.09106	3.3
287.12274	3.4
287.23743	0.9
305.05515	100.0
305.10092	9.6
305.21671	1.4
305.25070	4.0
306.05844	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	305.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
56.96558	1.4
57.03418	1.0
61.02914	1.8
62.45507	0.5
62.57726	0.5
67.01855	0.9
68.99775	0.6
69.03429	3.4
69.15652	0.5
70.06575	0.8
70.63338	1.1
70.63705	1.0
71.26356	0.6
81.03413	1.8
85.02894	10.0
86.06054	0.8
97.02888	3.6
98.97565	1.5
109.02895	0.9
109.10201	0.6
111.04445	1.3
114.05515	1.6
119.01897	0.7
121.02853	1.2
123.04410	4.9
127.03905	3.6
134.99651	0.5
135.04402	1.7
137.02325	2.1
139.03918	4.2
143.03389	100.0
144.03699	0.8
145.04948	1.0
147.04385	1.0
149.02330	4.4
150.03052	0.8
151.03914	1.4
153.01811	9.2
155.03368	0.8
163.03926	1.9
167.03371	1.1
171.02856	1.2
177.00600	0.7
179.03392	1.8
185.05971	0.9
186.07588	1.9
195.02902	1.7
203.03384	0.7
211.28430	0.5
213.05467	1.3
217.04878	0.9
231.06499	3.9
241.04950	1.5
259.06018	4.6
282.19031	0.5
287.05460	3.1
287.12408	1.4
305.06445	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0655
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
53.03934	1.0
54.28999	0.5
55.01863	2.2
55.05487	0.9
56.96549	2.8
57.82959	0.6
65.03937	3.1
67.01860	1.2
67.05512	3.3
68.99783	3.9
69.03419	2.2
69.07047	0.7
71.04982	0.6
71.59478	1.3
79.01850	1.0
79.05482	2.0
81.03418	1.3
81.07029	1.7
83.01307	1.2
85.02890	1.1
86.09686	0.8
91.05468	1.5
93.07016	1.0
93.14215	0.8
95.04958	4.1
95.08593	1.9
97.02880	3.0
97.06502	1.5
98.97576	2.2
103.05457	1.2
105.03371	2.0
105.07029	1.3
107.04938	1.8
107.08584	1.0
109.02876	0.8
109.10125	1.3
111.00859	0.7
111.04440	6.6
115.05410	1.4
116.98590	1.8
117.06998	1.6
119.04911	0.9
119.08532	1.3
121.02853	11.4
121.06504	1.4
121.10118	0.8
123.04420	67.9
124.04742	0.9
125.02367	0.7
127.03928	3.2
128.06221	1.3
129.07019	2.8
131.00175	1.2
131.04900	1.1
131.08574	1.0
133.02847	3.7
133.06448	1.9
134.99678	1.0
135.04422	4.4
137.02365	3.2
137.06010	0.9
139.03888	7.2
139.05443	0.9
141.06967	1.5
143.03349	1.2
143.08530	1.3
144.04544	0.9
145.06464	1.5
145.10147	0.8
146.99664	1.7
147.04417	3.6
149.02332	69.9
150.03111	1.9
151.03889	3.7
153.01819	100.0
153.05464	1.8
154.02179	1.9
154.07681	1.1
155.03432	1.6
155.08548	1.0
157.06488	4.8
159.08073	0.8
161.01196	1.3
161.02341	5.4
161.05971	2.6
163.03906	2.8
163.07512	0.8
167.03401	11.6
167.04819	0.6
167.08569	0.9
169.06476	2.2
171.02931	2.5
171.04320	0.7
171.08060	1.5
172.03918	1.3
173.05975	2.1
175.07553	2.8
179.03412	3.9
181.06464	0.8
184.05309	1.1
185.04422	1.3
185.05940	9.6
187.07570	3.8
189.05429	0.9
189.09084	0.9
195.02896	18.2
195.08029	2.9
197.05960	1.1
197.09540	0.8
201.05518	1.5
201.09088	2.5
202.06201	0.8
203.03419	2.4
203.07098	1.1
209.06430	0.8
213.05420	16.3
213.08945	1.6
214.06221	0.9
215.07007	1.6
215.10658	1.9
217.04729	1.3
217.08600	1.7
223.07512	1.1
225.09129	1.1
227.07018	1.3
230.09375	1.5
231.06511	47.1
231.10191	1.6
232.06958	1.1
241.04924	6.8
241.08572	2.1
243.06499	1.0
243.10234	1.4
245.04607	0.8
257.07053	0.9
258.05231	3.1
259.06018	61.8
260.06207	1.6
269.04718	1.0
269.08151	3.9
273.03818	0.9
281.08578	1.1
287.05508	18.6
287.08871	1.4
305.06116	11.4
305.10474	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	305.0653
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
51.02374	0.8
53.00301	1.0
55.01875	2.3
56.96559	1.4
65.03941	2.2
66.82925	0.7
67.01855	3.7
67.05497	1.9
68.99789	10.3
69.03417	1.4
71.34522	1.8
72.28471	0.8
74.72316	0.8
77.03925	1.2
79.05466	1.0
81.03410	1.9
91.05502	1.8
95.04965	3.2
97.02882	2.2
105.03370	2.5
107.04952	2.8
109.02881	3.3
111.04427	4.1
113.02342	1.8
118.04116	1.6
119.04923	2.2
121.02859	1.8
123.04423	70.4
125.02355	4.9
127.03915	3.9
129.07024	1.2
131.04961	1.1
132.89288	0.9
133.02852	1.6
135.04419	11.4
137.02284	7.8
138.03122	2.1
138.05490	1.5
139.03900	26.3
141.01781	2.4
143.03378	3.9
143.04878	1.0
146.03575	1.3
147.04396	5.8
149.01230	1.0
149.02328	4.3
150.03157	1.2
151.03893	4.2
153.01837	5.5
153.04280	1.1
153.05463	2.9
154.04996	7.5
155.03386	100.0
156.03731	0.9
159.04440	1.1
161.05930	1.9
163.03899	22.4
164.04700	2.9
165.05460	1.6
167.03413	5.3
175.03970	1.5
179.03369	3.5
181.04932	1.1
185.05905	2.0
189.05450	2.3
195.02791	1.2
201.05370	1.6
203.03506	1.4
213.05476	4.2
217.04904	1.8
221.04633	0.9
223.06938	0.9
231.06506	2.3
241.04980	4.2
251.03632	1.0
259.05908	5.5
261.03940	1.2
269.04480	2.2
277.07007	4.4
287.05478	6.7
305.06387	10.1
305.14532	1.4
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	Corymbiferan lactone B
Peak:m/z	Relative Intensity
54.02923	1.1
65.03942	1.1
67.01855	1.9
68.99769	3.4
69.66860	7.2
89.03925	1.6
98.21597	1.2
105.03371	1.9
107.04948	1.8
121.02855	7.9
123.04417	25.1
127.03882	2.2
129.07007	2.2
135.04417	2.6
137.02319	3.0
139.03879	1.3
139.05504	1.2
147.04448	4.0
149.02328	65.4
150.88458	1.2
151.03903	1.8
153.01830	23.0
155.03343	1.3
157.06448	3.8
161.02309	1.9
163.04007	1.6
171.02904	2.8
171.04391	1.4
175.03879	1.8
175.07610	2.3
185.05943	11.1
189.05484	1.4
193.68201	1.1
203.03416	9.0
203.07054	1.6
213.05411	15.6
216.04250	1.6
217.05054	1.4
231.06500	67.7
241.04939	9.6
245.04140	1.2
259.06000	100.0
260.06290	3.0
269.04498	2.7
287.05469	33.8
305.05609	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	305.0653
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
65.03934	3.7
65.17741	1.4
67.01849	6.7
68.99789	12.2
69.25364	6.6
69.25786	12.2
81.03405	2.1
91.05449	3.3
95.04944	4.0
97.02892	2.7
105.03368	3.0
107.04955	2.1
109.02829	2.3
111.04433	6.0
119.04923	2.2
121.02853	13.4
121.31426	1.5
123.04419	87.6
127.03911	11.3
128.06238	2.1
129.07021	3.9
133.02841	4.8
135.04396	6.3
137.02315	10.6
139.03883	15.6
144.00865	1.6
147.04385	6.1
149.02330	81.7
151.03879	5.9
153.01814	83.6
153.05405	5.8
155.03374	47.6
155.04459	1.1
157.06519	7.7
161.02304	4.6
163.03937	7.6
165.05479	1.7
167.03383	12.3
171.02908	12.5
171.04266	2.5
175.03917	3.1
179.03391	3.9
185.05983	13.1
186.07657	2.0
189.05313	2.2
191.28639	1.5
195.02890	8.1
201.05324	1.5
203.03377	8.6
203.07028	2.6
206.88687	1.5
213.05470	14.6
217.04958	3.5
231.06496	64.1
232.06795	2.1
239.10378	1.5
241.04922	11.1
245.04387	3.2
247.20035	1.8
259.06003	100.0
260.06445	2.3
261.03922	2.0
269.04370	2.8
277.07245	2.1
277.92081	1.7
287.05466	35.4
305.06497	14.7
305.15652	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	305.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15769	1.4
52.62186	1.3
56.96563	67.6
57.07045	1.4
69.07076	1.7
70.06738	3.4
70.07155	5.7
71.95260	2.5
72.37765	1.3
72.96031	1.6
74.97674	1.5
81.07052	3.0
84.96014	8.6
92.05374	1.4
93.07075	1.6
95.04945	1.7
95.08628	4.0
95.82765	1.4
98.97578	57.4
105.06998	2.1
107.08540	2.2
109.10099	2.1
110.97558	27.2
112.99121	20.0
113.97279	1.3
116.98620	51.1
119.08611	2.1
119.92111	1.4
121.10175	1.8
123.11636	1.8
124.99117	6.0
127.00675	2.1
127.03925	4.2
128.98595	51.1
131.00163	69.0
133.10172	1.7
134.99657	26.6
140.00226	2.8
143.00154	37.6
145.01740	6.2
146.99649	53.8
149.01213	90.2
151.03929	1.8
153.00714	3.7
154.01767	3.1
157.01701	1.9
158.01273	2.8
158.99629	4.4
161.01215	71.6
162.99187	2.6
163.02777	4.3
165.00732	10.2
167.02304	12.1
169.01752	1.8
169.03922	1.5
170.01221	2.3
170.99661	6.6
172.02786	4.2
173.01294	7.2
175.02708	2.0
177.00725	8.0
179.02260	13.6
184.02815	3.3
185.01207	36.2
187.02768	12.4
189.00700	14.2
191.02260	9.3
200.02519	1.5
201.00716	4.4
201.32980	1.8
203.02267	100.0
205.03810	5.6
207.01845	2.3
209.03323	1.6
212.02414	2.0
221.03319	39.4
226.03873	7.4
227.02284	6.8
244.05034	2.2
245.03305	17.2
263.04428	4.9
305.05505	17.4
305.24759	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	305.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	100.0
57.66179	1.3
58.06596	3.3
61.02911	2.3
68.54328	1.9
69.03410	3.6
70.98120	18.7
71.58856	2.9
71.95257	6.5
73.02935	3.0
74.97594	3.1
81.03436	2.7
84.96036	3.9
85.02894	6.5
88.99155	14.0
93.67822	1.6
97.02885	4.6
98.97583	83.7
101.00893	2.8
102.96988	1.7
107.00174	3.8
107.04993	1.7
110.97552	3.0
114.05597	2.7
115.00713	2.3
116.98616	65.1
119.01919	5.2
124.03960	1.6
124.65491	1.6
124.95480	6.5
127.03854	1.9
128.98590	9.3
131.00142	6.9
131.01811	2.0
132.83792	1.8
133.01711	3.5
133.03461	3.2
134.99661	38.0
136.06192	10.4
141.06592	3.2
141.15431	1.5
142.96542	13.0
143.00177	4.2
143.03403	4.1
144.98056	1.6
145.01665	3.8
146.99649	14.8
149.01237	3.6
149.06590	2.7
152.88120	1.4
153.00693	6.8
153.01836	4.5
156.97934	1.6
158.99643	9.1
160.97566	12.7
161.01234	7.3
161.02908	1.6
162.99136	3.0
165.00719	12.8
167.02277	1.7
167.11488	1.7
170.96002	5.2
172.97580	8.0
173.01250	2.2
173.02913	2.9
174.99147	8.8
176.00786	1.7
177.00710	14.7
178.98581	2.0
179.02277	2.6
183.01828	2.5
184.97633	6.2
186.07562	3.9
186.99120	3.4
188.97047	32.9
189.00720	7.6
189.02264	2.0
190.98636	31.7
191.02307	6.2
193.00145	15.8
195.01755	3.7
197.01091	1.5
201.00688	5.2
202.98625	20.8
203.02261	1.8
203.07600	3.3
205.00175	12.5
206.98134	25.8
207.01715	10.7
208.99716	9.9
211.01013	1.5
212.97153	2.4
214.98611	4.3
215.07724	3.0
217.00317	2.5
219.01636	3.1
219.54944	2.4
220.99712	19.6
221.04965	2.2
223.01260	9.4
230.98120	29.8
232.99664	18.3
235.01195	7.7
237.02840	3.8
239.00780	7.1
244.99709	4.6
248.99178	13.0
251.00708	3.8
263.00748	22.2
281.01816	16.4
299.02972	2.2
305.05487	2.3
305.12036	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	303.0496
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03935	0.2
55.01863	0.3
65.03938	0.7
67.01871	0.6
67.05499	0.2
68.99786	3.0
69.03438	0.3
70.06935	0.3
70.07368	0.5
71.01327	0.1
75.07229	0.1
75.46533	0.1
79.05486	0.2
81.03419	0.8
91.05475	0.2
93.03406	0.7
95.04951	1.2
97.02873	0.1
105.03381	0.3
107.01347	0.1
107.04977	0.2
109.02869	1.3
110.03653	0.1
111.00786	2.1
111.04435	0.2
115.05447	0.2
117.06986	0.4
121.02865	2.2
123.04420	0.7
126.04626	0.1
127.03890	0.4
127.05442	0.1
128.06204	0.1
129.06941	0.1
131.04939	0.4
135.04416	0.5
137.02336	7.8
137.03358	0.4
145.06512	0.9
145.52716	0.1
149.02327	0.9
151.03896	0.2
153.01820	10.6
155.04892	1.8
155.06033	0.2
157.06429	0.2
159.04422	0.4
161.05952	0.9
163.03911	1.3
165.01831	4.0
165.03238	0.2
166.02606	0.5
171.43315	0.1
173.02365	0.1
173.05971	1.9
177.01767	0.2
177.05434	0.3
179.03389	0.4
183.02872	1.5
183.04437	1.2
187.03868	1.2
189.05563	0.1
191.03357	0.3
195.02838	0.4
200.04654	0.2
201.05458	4.9
202.05959	0.2
203.03394	0.2
205.04991	0.4
207.03052	0.3
211.03876	0.5
213.05548	0.2
215.03415	0.2
217.04955	0.2
219.02986	0.2
219.06566	0.5
228.04114	0.9
229.04948	9.9
231.27681	0.1
232.03784	0.2
233.04486	0.2
239.03410	0.5
243.02774	0.2
245.04416	0.2
246.05203	0.2
247.06032	1.2
257.04425	4.9
274.04718	1.3
275.05548	0.4
285.03955	2.4
303.04971	100.0
304.05264	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.086
Annotation	Lespedol D
Peak:m/z	Relative Intensity
53.03927	1.6
55.01860	2.9
56.96558	4.1
60.62732	1.2
65.03930	8.3
67.05493	4.9
68.99777	5.9
69.03414	3.2
70.06607	1.3
71.59080	2.3
79.05481	7.5
81.03399	3.6
81.07024	2.9
83.01327	6.6
85.02897	5.3
86.03245	1.8
86.09700	2.1
89.03902	3.2
90.22126	1.3
91.05459	5.3
93.03384	3.6
93.60914	1.3
95.04972	7.5
96.05289	1.4
97.02885	4.2
97.06505	3.1
98.97562	1.9
103.05486	1.9
105.07024	1.6
107.04956	13.0
109.02808	2.0
109.06488	4.0
111.00804	1.7
111.04429	26.1
112.07568	1.3
116.98601	1.5
117.03358	2.3
119.04945	2.4
121.02865	2.5
123.03562	2.7
123.04420	44.1
125.02348	1.9
125.05972	3.8
125.94086	1.2
127.03899	2.8
131.04910	3.9
135.04407	100.0
136.04814	1.1
136.91119	1.4
137.02324	10.6
137.05968	22.3
139.03899	31.7
140.07047	2.9
141.05481	13.0
141.07349	5.0
144.42642	1.3
145.06465	2.1
147.04384	5.7
149.05949	2.2
151.03943	8.3
153.01857	13.9
153.05452	84.8
155.04874	1.7
161.05968	1.5
163.03899	31.3
164.04660	2.1
165.01804	3.6
165.05475	31.2
165.06886	2.9
173.05887	3.1
173.07137	5.2
177.01936	1.6
181.04970	3.6
183.06500	5.8
183.08318	4.0
193.04939	5.4
201.05478	3.2
203.05261	1.7
206.08318	1.8
211.07561	3.5
219.03050	1.4
224.09283	1.4
227.07053	3.7
229.05005	5.5
242.05711	3.0
245.04597	1.5
245.05537	1.3
245.08040	12.0
249.07536	1.5
255.06519	2.1
257.04504	6.2
257.08139	3.8
257.12625	1.3
259.06024	2.3
267.11343	2.4
273.07535	12.9
275.09097	10.9
285.03970	3.4
285.07547	9.3
285.12183	3.3
303.04950	73.4
303.08624	15.1
303.13953	21.2
304.05286	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	303.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46901	0.2
53.03940	0.2
55.01860	0.5
63.84146	0.1
63.95170	0.2
65.03931	0.5
67.01846	0.3
67.05540	0.2
68.99783	3.1
69.03412	0.3
69.30968	1.9
73.26907	0.2
81.03406	0.8
91.05501	0.2
93.03403	0.8
95.04961	1.0
97.02859	0.2
105.03345	0.3
107.04951	0.4
109.02886	1.3
110.21161	0.2
111.00808	2.1
111.04453	0.2
115.05440	0.4
116.72794	0.2
117.06988	0.4
119.15375	0.2
121.02865	2.7
123.04438	0.5
127.03900	0.5
131.04886	0.5
135.04436	0.5
135.43726	0.2
137.02333	8.9
137.03329	0.4
145.06442	0.9
149.02328	0.7
153.01817	12.0
155.04900	1.4
157.06450	0.2
159.04369	0.4
161.05995	0.9
163.03896	1.1
165.01817	4.1
166.02586	0.7
167.03407	0.2
173.05983	1.4
177.01778	0.2
177.05507	0.3
179.03377	0.4
183.02867	1.7
183.04410	1.1
187.03851	1.1
191.03394	0.5
195.02956	0.3
201.05469	4.8
202.05908	0.2
205.04968	0.5
207.02959	0.3
211.03947	0.5
213.05528	0.3
217.04869	0.2
219.02811	0.2
219.06516	0.6
228.04198	0.7
229.04944	9.3
230.05302	0.3
232.03712	0.3
239.03503	0.4
245.04419	0.3
247.05949	1.4
257.04440	5.2
274.04678	1.4
275.05353	0.3
285.03940	2.2
286.04471	0.2
303.04968	100.0
304.05304	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.04865	0.2
55.01860	0.5
58.39667	0.2
59.78613	0.2
65.03925	0.9
66.81254	0.2
67.01860	0.6
67.05492	0.5
67.32784	0.2
68.99781	3.2
69.03424	0.2
69.46889	1.4
71.00997	0.2
79.19768	0.2
81.03416	1.0
93.03387	0.7
93.28490	0.2
95.04964	1.3
97.02902	0.2
105.03382	0.5
105.07064	0.2
107.04934	0.3
109.02866	1.7
111.00801	2.6
115.05438	0.4
117.06989	0.5
121.02866	3.3
123.04458	0.9
126.25876	0.2
127.03914	0.6
129.20625	0.2
131.04909	0.6
135.04404	0.8
137.02344	10.0
137.03384	0.6
143.27898	0.2
145.06497	1.2
149.02301	1.3
153.01823	14.1
154.02277	0.2
155.04926	1.4
159.04420	0.3
161.04828	0.2
161.05902	1.1
163.03909	1.7
165.01839	5.1
166.02637	1.0
171.02821	0.2
173.05951	2.2
177.01765	0.3
177.05469	0.4
179.03371	0.6
183.02876	2.1
183.04424	1.1
184.05214	0.2
185.05943	0.2
187.03891	1.2
191.03331	0.5
191.07040	0.2
195.02811	0.5
201.05464	6.2
205.04979	0.6
207.02959	0.3
211.03915	0.5
213.05540	0.4
215.03430	0.5
219.02873	0.4
219.06577	0.5
228.04169	0.9
229.04959	13.4
230.05328	0.3
232.03668	0.4
239.03445	0.4
245.04387	0.3
247.06007	1.8
256.03845	0.2
257.04437	7.4
258.05054	0.3
261.04166	0.2
274.04727	2.1
275.05450	0.6
285.03931	3.3
286.04462	0.2
302.47876	0.2
303.04977	100.0
304.05316	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.80915	0.2
55.01847	0.2
65.03931	0.7
67.01855	0.6
67.05482	0.3
68.99781	3.3
70.86432	0.6
76.81223	0.3
81.03402	1.0
93.03394	0.8
95.04958	1.1
101.40425	0.2
105.03381	0.4
109.02843	1.6
111.00810	2.4
117.07004	0.3
121.02863	2.9
123.04409	0.8
127.03875	0.7
129.06976	0.2
131.04901	0.4
135.04434	0.7
137.02339	9.4
137.03387	0.4
145.02859	0.3
145.06474	1.0
149.02304	1.1
151.03912	0.3
153.01819	12.9
155.04901	1.3
155.06021	0.4
157.06483	0.2
159.04393	0.6
161.05972	1.2
163.03914	1.8
165.01811	4.1
166.02515	0.4
173.05951	2.4
177.05447	0.4
179.03392	0.5
179.65950	0.2
183.02872	1.4
183.04433	1.2
187.03864	1.3
191.03407	0.5
195.02873	0.8
201.05441	5.9
205.04932	0.5
207.02861	0.2
211.03896	0.4
215.03346	0.3
219.03035	0.3
219.06554	0.6
228.04121	0.9
229.04948	10.7
230.05365	0.5
233.04477	0.3
239.03474	0.4
247.06075	1.6
257.04422	6.0
263.04355	0.2
274.04697	1.7
275.05515	0.5
285.03931	2.8
303.04974	100.0
303.14038	2.2
304.05341	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	Unknow
Peak:m/z	Relative Intensity
50.67157	0.3
53.85856	0.4
54.33758	0.3
54.47377	0.3
55.01872	0.6
64.89778	0.3
65.03941	0.6
65.17452	0.3
67.01842	0.5
68.99786	2.2
69.28957	0.6
69.29372	2.6
81.03400	0.9
93.03389	0.7
94.93616	0.3
95.04963	1.0
103.05444	0.5
109.02870	1.6
111.00792	2.0
111.04469	0.4
117.06989	0.4
121.02876	1.9
123.04403	0.8
127.03899	0.6
131.04886	0.6
135.04420	0.5
137.02338	8.6
137.03387	0.6
145.06483	0.8
149.02364	1.0
153.01820	12.4
155.04904	1.3
161.05934	0.9
163.03845	1.7
165.01790	4.2
166.02597	0.6
173.06033	1.8
177.05457	0.6
179.03323	0.5
183.02899	1.3
183.04390	1.0
187.03888	0.9
191.03403	0.7
195.02904	0.6
201.05466	5.2
205.04944	0.7
207.02989	0.4
213.05489	0.3
228.04225	0.4
229.04959	10.1
230.05322	0.4
247.05873	1.7
257.04462	5.6
274.04706	1.6
275.05487	0.5
285.03842	2.5
303.04974	100.0
304.05338	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	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.01844	0.1
55.01856	0.4
64.55479	0.1
65.03925	0.6
65.47822	0.1
67.01856	0.4
67.05493	0.4
68.99426	0.2
68.99781	2.7
69.03412	0.3
69.19080	0.1
70.14513	0.6
71.01351	0.1
72.08134	0.3
79.05465	0.1
81.03405	0.9
85.02896	0.2
85.85379	0.1
91.05460	0.5
93.03404	0.9
95.04948	1.0
97.02905	0.2
98.97593	0.3
103.05463	0.2
105.03406	0.3
105.07034	0.2
107.04935	0.4
108.85499	0.1
109.02866	1.4
110.03641	0.3
111.00793	2.2
111.04428	0.2
115.05423	0.2
116.98597	0.3
117.07012	0.3
119.04962	0.2
121.02869	2.5
123.04422	1.4
127.03919	0.7
127.63937	0.1
129.06996	0.1
131.04919	0.6
133.02835	0.3
133.06473	0.3
135.04427	1.0
137.02336	9.0
137.03371	0.5
137.05911	0.3
139.03862	0.4
145.02803	0.2
145.06467	1.0
146.93744	0.1
147.04405	0.3
149.02353	1.1
151.03891	0.5
153.01820	11.3
154.02193	0.2
155.04890	1.4
155.06012	0.2
155.26027	0.1
157.06517	0.1
159.04367	0.4
161.05959	0.7
163.03889	1.5
165.01828	4.1
166.02686	0.6
167.03522	0.2
171.03059	0.3
173.05975	2.0
177.01909	0.2
177.05457	0.4
179.03374	0.6
181.06390	0.1
183.02875	1.7
183.04419	0.8
184.05014	0.1
187.03929	1.1
191.03381	0.4
191.06984	0.1
193.04991	0.1
195.02853	0.5
201.05461	5.3
205.04958	0.5
207.02888	0.4
211.03957	0.6
212.07036	0.1
213.05511	0.3
215.03383	0.3
217.04948	0.2
219.02827	0.4
219.06514	0.6
221.07446	0.2
228.04225	0.5
229.04945	11.4
230.05316	0.3
230.08080	0.2
232.03693	0.3
233.04527	0.3
234.02202	0.2
239.03387	0.4
240.03516	0.1
243.02902	0.2
245.04578	0.2
246.05386	0.2
247.05984	1.3
257.04443	5.8
258.05090	0.3
267.03119	0.1
274.04703	1.7
275.05466	0.4
285.03940	2.7
286.04462	0.3
303.04965	100.0
304.05316	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	303.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.7
58.43562	0.5
67.07922	0.4
70.76717	1.3
78.22927	0.4
92.41486	0.4
98.97581	1.2
101.00867	0.7
103.30318	0.4
104.81587	0.4
110.57444	0.4
116.98618	1.6
118.56905	0.4
119.01134	0.6
119.01918	7.8
120.02012	0.6
134.99702	2.2
137.03011	3.7
138.03046	0.5
153.00735	1.0
153.01831	0.5
158.99892	0.6
177.00940	19.0
178.01030	4.3
179.00690	3.8
182.99806	0.6
192.98782	0.6
195.02034	0.5
197.44467	0.4
201.00922	0.8
217.04047	2.2
218.03677	2.4
219.01988	30.4
220.02109	8.6
221.01743	9.9
222.01816	2.4
223.01634	0.5
225.00755	2.2
226.01006	0.8
227.65085	0.5
231.01962	0.6
234.99805	1.0
237.81586	0.5
242.03526	1.0
243.01935	5.6
244.02113	1.9
256.97110	0.9
259.00009	1.3
260.02493	0.6
261.03033	100.0
262.03177	37.0
263.02881	5.0
274.97620	0.8
277.00995	1.3
279.00208	2.1
279.03519	0.6
280.00790	0.7
282.99988	1.1
283.99875	0.7
284.04715	3.0
284.99719	1.8
285.04599	2.9
298.98401	0.6
301.01157	2.7
302.01144	1.0
303.00833	5.4
303.05225	15.7
304.05420	0.6
320.97940	0.6
321.04486	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.8
56.96550	1.5
58.06606	1.9
61.02920	1.1
67.05495	2.0
68.99783	2.1
69.03432	3.9
70.06569	1.3
70.57055	2.5
72.08149	7.0
73.78057	0.9
79.05505	1.2
81.07058	1.7
85.02416	1.6
85.02902	18.1
85.68288	0.8
86.09708	1.8
91.05470	2.9
95.04978	2.5
97.02886	6.5
98.97592	1.6
100.73831	0.9
103.03928	1.3
105.07028	1.7
108.03959	0.9
108.08113	2.9
109.02888	4.7
111.00823	1.6
111.04424	1.2
112.07542	1.0
116.98615	1.3
119.08604	0.9
121.02856	2.6
122.06025	2.2
123.04409	1.9
125.05978	1.1
126.05485	1.3
127.03905	4.5
128.29892	0.9
129.07021	1.1
130.06532	1.8
133.16917	0.9
134.45331	0.9
135.04370	2.1
136.07552	4.1
137.02325	6.7
139.03871	1.1
140.07076	8.4
143.11774	2.5
145.04956	2.7
145.06516	1.2
146.53278	1.0
150.09198	1.2
152.07039	3.2
153.01814	8.4
154.08643	1.8
159.04474	1.1
161.05977	1.5
163.03873	2.2
164.06995	5.6
165.01788	3.6
173.05945	2.1
175.82005	0.9
177.00693	1.2
177.05423	1.3
178.08650	3.3
182.08127	20.2
183.02933	1.2
183.04459	1.7
187.03955	1.3
201.05489	3.7
202.33499	0.9
206.08067	7.9
220.19540	1.0
228.04337	1.0
229.05003	6.9
230.08055	1.1
234.02243	1.1
248.09201	1.3
253.07350	1.0
257.04413	6.2
274.04773	1.6
285.04001	2.4
302.04187	1.7
302.11859	2.8
303.04990	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	302.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70368	0.9
53.03956	1.2
55.01870	1.5
56.96556	3.4
57.03422	3.5
61.02916	2.8
65.03906	2.0
67.05500	31.2
69.03423	15.7
69.07066	23.7
69.76572	7.5
72.08152	3.1
73.02915	1.3
81.03413	5.6
83.01365	1.0
85.02900	44.4
91.05458	1.3
95.04963	48.9
95.06895	1.0
97.02885	34.8
98.97536	1.2
99.04444	1.5
103.03912	5.1
109.02873	10.6
112.07599	30.1
112.24861	1.1
113.05988	3.4
119.04941	1.0
122.06030	1.3
123.04397	2.7
124.07605	2.5
127.03913	9.9
131.04832	1.2
136.07567	3.0
137.02345	4.0
140.07056	100.0
141.07358	1.0
145.04958	4.1
147.04436	2.4
151.03909	1.0
153.01852	4.4
154.08623	7.6
163.03937	1.3
165.01857	1.3
170.08195	1.2
178.08630	2.5
182.08124	66.2
183.02904	1.9
195.03108	1.2
206.08109	12.9
218.08144	1.4
229.04977	2.8
236.09126	2.8
239.02225	1.2
248.09178	10.5
257.04425	1.8
262.86743	1.3
284.11102	1.4
285.03995	1.1
302.04028	1.9
302.12311	3.8
303.05011	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01857	2.0
56.96542	2.7
57.03417	4.3
61.02911	3.0
65.03924	4.0
67.05499	37.6
68.99792	1.6
69.03423	21.3
69.07063	19.6
69.76597	4.4
69.77009	3.7
71.04976	1.3
73.02881	1.6
79.05466	3.8
79.34290	1.5
81.03394	6.3
81.07024	2.3
83.01321	3.6
84.08134	2.0
85.02898	50.9
86.09682	1.8
91.05470	3.2
94.06573	2.0
95.04961	60.4
97.02283	2.5
97.02884	43.8
97.06507	1.4
98.21471	2.5
98.97588	1.8
99.04423	2.4
103.03920	3.9
107.04933	5.1
109.02869	11.3
109.06491	3.1
111.04425	5.4
112.07594	37.2
113.05984	3.6
119.89868	1.3
121.81568	1.6
122.05968	2.5
122.75631	1.2
123.04415	13.4
124.07557	2.9
125.05982	2.2
127.03903	9.2
135.04407	33.9
136.07570	2.6
137.02322	3.5
137.05983	8.1
139.03870	9.2
140.07053	100.0
141.05424	7.2
145.04935	3.6
147.04431	2.7
147.24525	1.4
151.03882	2.2
153.01811	5.3
153.05452	47.4
153.60854	1.4
154.08624	8.2
163.03883	10.4
165.01857	1.5
165.05504	9.4
178.08574	3.7
182.08115	71.8
183.08430	2.4
193.05028	2.0
198.13870	1.3
201.05437	1.8
204.03781	1.4
206.08112	16.7
218.08121	2.2
229.04950	3.0
236.09123	1.7
248.09259	10.9
273.07507	1.7
275.09109	4.0
285.03949	1.4
285.07480	2.8
302.03848	2.0
302.07208	2.4
302.12207	4.3
303.04932	23.1
303.08664	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	301.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88974	1.7
55.01865	4.3
55.05516	12.0
56.64414	1.7
56.96555	2.1
57.03426	6.0
57.07082	2.0
57.65938	1.8
59.05005	3.1
65.03923	3.3
66.50352	1.8
67.05502	20.1
69.03423	4.4
69.07066	9.9
69.40982	18.7
71.04989	23.1
73.02898	1.7
79.05483	15.8
79.31625	1.7
81.07055	23.4
83.01313	2.6
83.04981	5.0
83.08633	4.6
85.02911	4.1
85.06521	3.3
90.29139	1.8
91.05482	26.4
93.07047	27.8
95.04969	10.5
95.08595	15.0
97.02866	4.2
97.06538	5.3
97.10135	2.8
99.97946	1.8
105.07030	35.8
107.04947	8.5
107.08588	29.9
109.06503	5.5
109.10133	17.1
111.08072	7.1
117.06967	3.6
119.04926	21.6
119.08579	23.7
121.06506	3.6
121.10137	18.3
123.04417	2.6
123.08054	6.2
123.11715	2.6
124.13766	2.4
125.05904	2.7
125.09606	6.0
129.05525	2.4
129.06941	3.3
131.08531	12.6
133.10115	44.6
134.99602	1.8
135.08038	5.2
135.11681	13.4
137.09579	6.6
143.08589	4.6
145.10120	16.7
147.04402	53.5
147.08055	1.8
147.11636	10.2
148.04723	3.0
149.13254	3.1
151.11174	2.2
153.07011	2.2
153.35779	1.9
155.08517	2.8
156.03609	2.1
157.10123	9.3
159.08049	2.2
159.11700	11.5
161.09596	11.2
161.83687	1.9
163.11172	33.2
169.10165	2.4
171.11655	8.6
173.09561	2.7
173.13266	11.0
174.35719	2.1
175.11186	3.9
181.04955	100.0
181.12292	2.0
182.05318	5.7
187.11119	2.5
187.14865	5.4
189.12801	3.6
191.14275	11.1
197.13316	8.8
199.06021	3.2
201.16374	7.3
203.14340	2.0
213.16380	4.8
215.14302	8.9
217.04976	3.8
217.15906	11.6
229.07549	3.0
231.08884	5.1
243.17506	4.2
245.04576	4.5
245.15521	3.6
258.05243	4.2
273.03915	6.8
283.20578	4.2
286.04663	5.5
301.03403	26.2
301.07065	25.3
301.10690	82.9
301.16272	4.2
301.21619	38.5
302.07617	3.8
302.11032	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88974	1.7
55.01865	4.3
55.05516	12.0
56.64414	1.7
56.96555	2.1
57.03426	6.0
57.07082	2.0
57.65938	1.8
59.05005	3.1
65.03923	3.3
66.50352	1.8
67.05502	20.1
69.03423	4.4
69.07066	9.9
69.40982	18.7
71.04989	23.1
73.02898	1.7
79.05483	15.8
79.31625	1.7
81.07055	23.4
83.01313	2.6
83.04981	5.0
83.08633	4.6
85.02911	4.1
85.06521	3.3
90.29139	1.8
91.05482	26.4
93.07047	27.8
95.04969	10.5
95.08595	15.0
97.02866	4.2
97.06538	5.3
97.10135	2.8
99.97946	1.8
105.07030	35.8
107.04947	8.5
107.08588	29.9
109.06503	5.5
109.10133	17.1
111.08072	7.1
117.06967	3.6
119.04926	21.6
119.08579	23.7
121.06506	3.6
121.10137	18.3
123.04417	2.6
123.08054	6.2
123.11715	2.6
124.13766	2.4
125.05904	2.7
125.09606	6.0
129.05525	2.4
129.06941	3.3
131.08531	12.6
133.10115	44.6
134.99602	1.8
135.08038	5.2
135.11681	13.4
137.09579	6.6
143.08589	4.6
145.10120	16.7
147.04402	53.5
147.08055	1.8
147.11636	10.2
148.04723	3.0
149.13254	3.1
151.11174	2.2
153.07011	2.2
153.35779	1.9
155.08517	2.8
156.03609	2.1
157.10123	9.3
159.08049	2.2
159.11700	11.5
161.09596	11.2
161.83687	1.9
163.11172	33.2
169.10165	2.4
171.11655	8.6
173.09561	2.7
173.13266	11.0
174.35719	2.1
175.11186	3.9
181.04955	100.0
181.12292	2.0
182.05318	5.7
187.11119	2.5
187.14865	5.4
189.12801	3.6
191.14275	11.1
197.13316	8.8
199.06021	3.2
201.16374	7.3
203.14340	2.0
213.16380	4.8
215.14302	8.9
217.04976	3.8
217.15906	11.6
229.07549	3.0
231.08884	5.1
243.17506	4.2
245.04576	4.5
245.15521	3.6
258.05243	4.2
273.03915	6.8
283.20578	4.2
286.04663	5.5
301.03403	26.2
301.07065	25.3
301.10690	82.9
301.16272	4.2
301.21619	38.5
302.07617	3.8
302.11032	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	32.9
55.05509	46.3
56.73557	3.2
57.03434	56.2
61.02919	7.3
65.03949	3.9
67.05502	53.7
69.03426	5.4
69.07071	16.5
71.04978	6.2
71.60114	3.8
71.60494	3.6
73.02913	17.7
79.05484	42.1
81.03411	10.7
81.07057	35.9
82.04202	9.2
82.07876	3.7
83.04980	18.5
83.08617	17.0
85.06506	3.9
91.05481	31.7
93.07039	36.0
95.04956	16.0
95.08608	68.6
97.06532	15.1
97.10178	25.4
98.07287	7.1
99.74088	3.0
101.05968	4.3
105.07008	24.6
107.04944	7.2
107.07940	4.6
107.08585	30.7
109.06533	5.9
109.10157	17.2
111.04412	6.0
111.08070	7.6
116.04713	45.3
117.07001	6.0
119.08611	19.3
119.09347	3.5
121.10150	20.5
123.08089	7.1
123.11685	6.1
125.06001	5.1
125.09628	26.0
129.05481	100.0
129.06981	6.7
129.80080	3.4
131.08528	7.0
133.10115	23.7
135.08026	4.8
135.11687	14.5
143.07031	19.5
143.08513	5.0
144.01567	3.4
145.10106	10.2
147.04465	4.0
147.11668	9.5
149.09625	4.8
149.13397	4.0
151.03906	3.5
153.09077	3.5
157.08603	49.1
157.10007	8.6
159.11676	9.6
171.10143	13.8
171.11557	6.9
173.13283	3.6
175.11208	7.3
181.04906	10.8
181.12190	5.2
185.11693	4.6
189.11249	25.1
193.12218	5.9
199.13223	9.8
200.14082	13.8
209.11732	4.3
227.12752	16.0
258.05176	6.5
286.04715	9.8
289.88641	3.6
301.03424	10.9
301.07074	26.1
301.10675	9.3
301.16483	56.6
301.21640	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01877	0.3
55.05522	0.2
57.03440	1.0
65.03931	1.5
67.05505	6.9
68.99785	1.3
69.03428	0.5
70.40649	0.2
70.65752	0.4
70.66115	0.5
79.05503	1.9
81.03417	0.3
81.07053	0.4
83.01340	6.2
91.05476	6.5
95.04971	3.7
97.02895	1.4
97.06558	1.1
97.07059	0.2
107.04957	5.1
107.05688	0.3
108.51628	0.2
111.04422	0.6
119.04942	16.1
119.08549	0.2
121.02866	1.8
121.06535	0.7
123.04430	2.1
125.05982	1.4
133.06488	0.3
135.04407	0.9
139.03891	0.6
143.03400	0.7
147.04407	37.8
148.04770	0.5
151.03955	0.6
151.07549	0.5
153.05467	1.6
153.06683	0.2
157.04980	0.3
163.03922	2.0
165.06891	0.3
167.03377	2.0
179.03395	1.2
179.07057	0.5
181.04951	100.0
182.05293	1.1
185.06024	0.3
189.05421	0.6
195.06561	0.4
197.04465	0.2
199.06017	16.3
206.95674	0.2
207.06535	1.1
212.05901	0.2
227.07005	0.7
255.06584	0.3
259.09537	0.4
264.26025	0.3
272.06842	0.5
283.09641	0.4
300.28085	2.1
301.07016	22.6
301.10635	75.1
301.28223	1.6
302.07349	0.7
302.10983	1.9
307.84344	0.2
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	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
57.03440	0.7
62.11203	0.3
65.03944	0.9
67.05502	5.7
68.99792	1.0
69.03432	0.6
70.19334	1.3
72.04713	0.3
79.05499	1.2
81.78230	0.3
83.01340	6.0
85.28786	0.3
91.05476	6.0
95.04958	3.6
97.02901	1.5
97.06511	1.2
98.20708	0.3
107.04284	0.4
107.04953	4.5
111.04433	0.4
118.34339	0.3
119.04939	16.0
121.02874	0.8
121.06525	0.7
123.04414	1.7
123.08083	0.2
125.05995	1.5
135.04390	0.8
139.03886	0.7
143.03374	0.5
147.04404	41.0
148.04703	0.3
153.05441	1.3
163.03889	2.6
167.03297	0.5
170.19173	0.3
179.03435	0.7
179.06990	0.7
181.04951	100.0
182.05313	1.2
189.05354	0.5
199.06017	14.0
207.06488	1.6
218.39584	0.3
259.09460	0.3
265.08569	0.3
295.76804	0.3
300.28073	0.6
301.10672	72.7
301.28314	0.6
302.11023	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1068
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
53.03932	0.7
55.01867	0.6
55.12924	0.6
55.43443	0.5
57.03424	0.8
58.15777	0.5
65.03944	0.8
67.05489	1.8
68.99770	1.1
69.86648	2.5
69.87057	1.0
79.05505	2.8
79.43021	0.5
81.07086	0.7
83.01333	2.8
91.05465	8.7
95.04949	3.4
95.08582	0.7
97.02866	2.2
97.06506	1.0
107.04951	5.0
119.04933	20.3
121.02859	2.4
123.04467	2.8
125.05987	1.3
135.04431	1.0
147.04398	48.5
148.04756	1.1
150.40242	0.6
153.01840	1.1
157.06647	0.7
161.06018	0.9
163.03906	2.0
167.03366	1.8
179.03308	1.4
181.04942	100.0
182.05292	1.1
189.05426	1.0
197.05983	0.7
199.05956	2.4
199.07616	0.8
209.06273	0.6
217.04942	2.5
227.07066	0.8
245.04507	2.5
245.08092	1.7
255.06633	0.5
273.03973	3.8
273.06812	0.7
283.06219	0.7
283.09637	0.8
285.04028	1.0
286.04614	1.5
301.03406	11.8
301.07053	18.3
301.10678	91.5
302.03949	1.5
302.07501	0.8
302.11157	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	301.1068
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
57.03414	0.2
57.43654	0.2
63.43720	0.2
65.03928	0.6
67.05495	0.8
69.03419	0.3
69.07050	0.4
70.85766	0.2
70.86097	0.6
79.05482	1.9
83.01337	2.1
91.05472	7.7
95.04955	2.2
97.02885	2.0
97.06538	1.3
107.04943	5.3
119.04932	20.0
120.05289	0.3
121.02866	0.8
121.06532	0.3
123.04414	2.5
125.05999	1.5
135.04370	0.7
147.04396	52.4
148.04651	0.5
151.07510	0.6
153.05484	1.0
161.05994	0.3
163.03903	0.2
179.03400	0.6
179.07027	0.8
181.04938	100.0
182.05292	1.4
189.05461	0.4
199.05992	1.4
204.15933	0.2
207.06476	0.8
259.09601	0.4
283.09641	0.5
301.10666	95.2
302.11023	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	301.1068
Annotation	4'-Hydroxy-5,7-dimethoxyflavanone
Peak:m/z	Relative Intensity
53.03950	0.3
57.03440	0.7
62.11203	0.3
65.03944	0.9
67.05502	5.7
68.99792	1.0
69.03432	0.6
70.19334	1.3
72.04713	0.3
79.05499	1.2
81.78230	0.3
83.01340	6.0
85.28786	0.3
91.05476	6.0
95.04958	3.6
97.02901	1.5
97.06511	1.2
98.20708	0.3
107.04284	0.4
107.04953	4.5
111.04433	0.4
118.34339	0.3
119.04939	16.0
121.02874	0.8
121.06525	0.7
123.04414	1.7
123.08083	0.2
125.05995	1.5
135.04390	0.8
139.03886	0.7
143.03374	0.5
147.04404	41.0
148.04703	0.3
153.05441	1.3
163.03889	2.6
167.03297	0.5
170.19173	0.3
179.03435	0.7
179.06990	0.7
181.04951	100.0
182.05313	1.2
189.05354	0.5
199.06017	14.0
207.06488	1.6
218.39584	0.3
259.09460	0.3
265.08569	0.3
295.76804	0.3
300.28073	0.6
301.10672	72.7
301.28314	0.6
302.11023	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01866	0.4
56.61305	0.3
65.03944	0.5
67.05231	0.2
67.05511	2.1
68.99779	0.4
69.03423	0.9
70.01698	0.9
70.02099	0.7
79.05488	1.8
81.56267	0.2
83.01334	2.2
83.04981	0.3
91.05476	7.0
95.04968	2.3
97.02879	1.7
97.06544	1.4
104.99218	0.3
105.06952	0.4
107.04939	5.3
108.30046	0.2
119.04937	19.2
120.05218	0.3
121.02858	0.7
121.06493	0.5
121.37286	0.3
123.04434	2.2
125.05982	1.1
127.68874	0.3
133.06477	0.3
133.95682	0.2
135.04431	0.6
139.03867	0.3
147.04398	52.4
148.04733	0.7
151.07521	0.3
152.06291	0.3
153.05481	1.0
153.06911	0.3
163.03824	0.7
167.03479	0.3
173.39812	0.3
179.03407	0.9
179.07053	1.0
181.04944	100.0
182.05249	1.4
189.05476	0.6
199.05983	3.6
207.06572	0.7
251.13434	0.2
254.57722	0.3
259.09695	0.3
263.01273	0.3
283.09528	0.4
301.10660	86.5
302.11014	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0704
Annotation	Sophorafuran A
Peak:m/z	Relative Intensity
50.95140	0.2
53.03922	0.2
65.03912	0.2
67.86779	0.2
68.99786	0.7
69.03423	0.4
69.72906	0.2
69.73323	0.9
79.05477	0.5
81.49796	0.2
83.01328	1.5
83.04974	0.2
88.57499	0.2
95.01262	0.2
95.04947	0.7
98.20758	0.2
105.03387	0.9
107.04964	0.9
111.04427	0.4
119.04962	0.2
121.02859	5.9
122.03202	0.1
123.04434	0.9
125.02326	0.6
128.06161	0.4
133.02837	0.6
134.03587	0.2
135.04347	0.2
138.03102	0.2
143.08498	0.3
145.06482	0.2
147.04408	1.3
151.03905	1.3
153.07094	0.3
157.06514	0.2
161.05963	0.6
166.02632	0.2
167.03395	8.9
168.03830	0.2
171.04422	0.3
171.08055	0.7
175.03932	0.2
176.50414	0.2
179.03383	3.7
181.04967	4.8
181.06419	0.4
184.03687	0.4
184.05165	0.3
185.05905	0.3
189.05464	0.2
197.04468	0.8
197.05992	0.3
199.03822	0.2
199.07536	1.1
212.52295	0.2
213.05540	0.2
217.08514	0.2
224.27295	0.2
227.07004	2.4
243.06543	0.4
245.08069	0.9
255.06500	1.5
255.61168	0.2
256.07443	0.2
272.06833	1.6
273.07565	0.6
283.05911	0.4
299.05417	1.1
300.06027	0.3
301.07053	100.0
302.07416	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	301.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95470	0.1
51.02349	0.1
53.03941	0.1
54.35350	0.1
55.01867	0.2
55.05504	0.1
65.03938	0.6
67.05500	0.2
68.99786	1.2
69.03429	0.3
69.56196	0.7
69.56583	0.1
79.05495	0.6
81.03397	0.1
82.89450	0.1
83.00889	0.1
83.01340	1.5
83.04962	0.3
93.03413	0.1
95.04510	0.1
95.04973	0.8
97.02858	0.2
103.05439	0.1
105.03390	0.8
107.04952	1.1
111.04446	0.7
115.05421	0.1
119.04951	0.1
121.02867	7.3
121.03827	0.3
122.03178	0.1
123.04416	1.2
125.02330	0.6
126.85950	0.1
128.06207	0.4
129.06972	0.1
131.04944	0.2
133.02847	0.7
135.04399	0.3
141.05414	0.2
141.06995	0.1
143.08536	0.3
145.06480	0.2
147.04393	1.0
151.03902	1.7
152.06253	0.2
153.07037	0.5
155.08559	0.1
156.68156	0.1
157.06485	0.3
159.08051	0.2
159.29079	0.1
161.02359	0.2
163.03938	0.1
165.07019	0.1
167.03397	11.0
168.03734	0.2
169.06445	0.1
171.08055	0.9
174.06697	0.1
175.03952	0.2
175.07520	0.2
179.03400	3.6
180.03773	0.1
181.04916	0.4
181.06491	0.6
183.02942	0.1
184.05191	0.5
185.05829	0.2
189.09190	0.1
197.04449	0.9
197.06032	0.2
198.06763	0.2
199.07520	0.9
202.16344	0.1
203.03329	0.1
208.03673	0.2
209.06064	0.1
211.07471	0.1
212.04485	0.1
213.05476	0.2
217.04948	0.1
217.08504	0.2
226.06194	0.2
227.07019	2.7
228.07388	0.2
229.04967	0.2
230.05719	0.3
231.06621	0.1
243.06577	0.4
245.08078	1.1
255.06503	1.4
256.06979	0.2
257.08044	0.1
258.05322	0.2
259.06091	0.1
271.05859	0.2
272.06802	2.3
273.07471	0.9
283.05951	0.3
285.04019	0.2
286.04721	0.3
300.06442	0.1
301.07047	100.0
302.07388	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	301.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.1
53.87937	0.1
55.01863	0.3
55.05518	0.1
59.65082	0.1
65.03931	0.5
67.05476	0.2
68.99799	0.7
69.03419	0.3
70.72186	0.1
70.72536	0.2
77.03934	0.1
79.05492	0.5
81.03425	0.1
83.00883	0.1
83.01334	1.5
83.04980	0.2
89.46154	0.1
91.05452	0.1
93.03374	0.1
95.04967	0.7
97.02847	0.1
105.03376	1.0
107.04944	0.9
111.04452	0.5
115.05404	0.1
118.97178	0.1
119.04922	0.2
121.02865	6.6
121.03828	0.2
123.04415	0.9
125.02344	0.7
128.06213	0.4
129.06995	0.2
131.04939	0.2
133.02835	0.8
135.04427	0.5
139.03966	0.1
140.04607	0.2
141.01761	0.1
141.05472	0.1
143.08554	0.3
145.06467	0.1
147.04413	1.2
151.03891	1.3
152.06206	0.2
153.06984	0.4
155.08505	0.1
157.06502	0.2
159.08051	0.1
161.05974	0.6
165.01863	0.2
165.07004	0.2
167.03395	9.6
168.03748	0.2
169.06358	0.1
171.04349	0.3
171.08072	0.8
179.03381	4.1
181.04904	0.2
181.06485	0.4
183.02876	0.2
183.08014	0.2
184.05203	0.4
185.05922	0.3
189.05396	0.3
189.10738	0.1
197.04433	0.8
197.05949	0.1
198.06761	0.2
199.03775	0.1
199.07532	1.0
203.03342	0.2
209.06047	0.2
211.07555	0.1
213.05453	0.1
215.07098	0.1
217.08527	0.2
226.06209	0.2
227.07027	3.0
230.05717	0.1
237.05267	0.1
243.06511	0.5
245.08116	0.8
255.06516	1.2
256.07010	0.1
257.04822	0.1
257.08035	0.1
258.05151	0.1
263.05524	0.2
272.06796	2.0
273.07581	0.7
283.06024	0.4
299.05481	1.2
300.06046	0.1
301.07043	100.0
302.07397	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	301.0705
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
55.05487	0.2
67.05488	0.3
70.89676	0.4
72.54136	0.2
73.02785	0.2
79.05486	0.3
81.07047	0.3
91.05499	0.2
93.07023	0.3
95.04980	0.2
98.97602	0.2
105.07044	0.3
107.04917	0.3
108.85599	0.2
119.04913	0.3
121.96207	0.2
133.06480	0.2
145.10124	0.3
147.04366	0.8
149.05920	0.3
153.01808	1.1
181.04944	1.5
213.08910	0.2
229.04903	2.6
229.06989	0.3
257.04532	1.0
257.20984	0.4
258.05219	44.6
259.05557	1.5
269.04465	0.3
273.04080	0.2
286.04697	56.9
287.05078	2.2
301.07040	100.0
302.04202	0.3
302.07416	3.3
313.51385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0705
Annotation	Sophorafuran A
Peak:m/z	Relative Intensity
55.01867	0.2
64.25523	0.2
65.03937	0.5
66.42193	0.1
67.05486	0.3
68.99793	1.1
69.03447	0.3
69.49017	0.3
69.49426	0.9
79.05483	0.6
80.37451	0.1
81.03424	0.2
83.01336	1.5
83.04982	0.2
95.04956	0.7
102.57972	0.1
105.03397	0.9
107.04962	1.0
111.04419	0.7
115.05425	0.2
119.04901	0.3
121.02861	7.2
122.74080	0.1
123.04407	1.1
125.02349	0.6
128.06223	0.3
128.47774	0.1
133.02847	0.8
133.06480	0.2
135.04401	0.5
141.01799	0.2
141.05453	0.2
143.04865	0.1
143.08545	0.4
145.06543	0.2
147.04396	1.3
151.03873	1.4
152.06303	0.2
153.06979	0.6
157.06416	0.2
161.02383	0.2
161.05948	0.6
165.01874	0.2
167.03392	10.5
168.03772	0.2
171.04422	0.4
171.08011	0.8
175.03828	0.2
179.03392	4.6
181.06482	0.5
184.05168	0.3
185.05980	0.2
189.05534	0.2
197.04457	0.9
199.07581	0.9
203.03339	0.2
205.17506	0.2
208.03625	0.2
211.07506	0.1
217.05119	0.2
217.08507	0.2
227.07016	3.2
230.05756	0.2
243.06433	0.5
245.08075	0.9
255.06509	1.4
257.07990	0.3
263.05579	0.3
271.05734	0.2
272.06781	2.0
273.07486	0.8
283.05862	0.3
285.03760	0.2
299.05447	1.5
301.07037	100.0
302.04056	0.1
302.07358	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	301.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44340	0.1
55.01863	0.4
58.50810	0.2
60.93771	0.1
64.64787	0.2
65.03931	0.4
68.99780	0.5
69.03405	0.4
70.85041	0.3
79.05508	0.8
83.01334	1.8
83.04982	0.3
91.05477	0.3
95.04959	0.9
97.02895	0.3
103.05463	0.3
105.03392	0.8
105.07041	0.2
107.04951	3.2
111.04420	0.7
119.04935	0.3
121.02859	7.3
123.04422	1.0
125.02335	0.7
128.06262	0.2
131.04875	0.3
133.02856	0.9
133.10100	0.1
135.04413	0.4
141.01729	0.2
143.08568	0.4
147.04391	1.1
151.03891	1.4
152.06178	0.4
153.06999	0.5
157.06473	0.3
159.08067	0.2
161.05969	0.6
165.01810	0.2
165.06911	0.2
167.03389	10.4
169.06488	0.3
171.04382	0.3
171.08038	1.0
177.05501	0.2
179.01807	0.3
179.03380	4.5
181.05040	0.2
181.06450	0.9
184.05049	0.4
185.05931	0.3
189.05493	0.5
193.04944	0.2
195.06560	0.3
197.04448	0.8
198.06761	0.3
199.07544	1.2
205.04747	0.2
213.05495	0.3
217.04979	0.2
226.06375	0.2
227.07010	3.1
229.04834	0.2
230.05646	0.2
231.06543	0.2
243.06554	0.6
245.04372	0.2
245.08080	1.3
255.06488	1.5
256.22629	0.3
258.05087	0.3
263.05533	0.3
272.06744	2.2
273.04446	0.2
273.07440	0.9
283.06009	0.6
299.05472	1.4
301.07034	100.0
302.04178	0.3
302.07367	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	300.2895
Annotation	2-Aminooctadec-4-ene-1,3-diol
Peak:m/z	Relative Intensity
50.10397	0.4
55.01868	0.4
55.05268	0.5
55.05508	7.5
56.05007	0.5
56.96550	0.4
57.03425	1.2
57.06080	0.4
57.07059	0.8
58.06586	2.3
67.05172	0.6
67.05502	8.3
69.07063	9.4
69.47395	1.0
69.47792	2.7
70.06589	16.0
70.07383	0.9
79.05489	3.6
81.06589	0.5
81.07055	9.1
82.06583	0.9
82.07379	0.4
83.04978	0.7
83.08611	2.9
84.08128	1.0
85.02891	0.8
91.05465	1.7
93.07046	3.7
95.04958	1.1
95.08604	9.8
96.08124	1.3
96.08791	0.5
97.06514	0.4
97.10148	1.0
98.09682	1.8
98.97591	0.7
105.07006	1.4
107.04932	1.4
107.08576	1.8
109.06484	0.6
109.10141	3.6
110.09696	0.4
114.09178	0.5
116.98611	0.5
117.07009	0.5
119.04938	1.3
119.08562	0.9
121.02884	0.6
121.06510	0.9
121.10128	1.6
123.04425	0.7
123.11723	2.1
124.12004	0.6
131.00137	0.8
131.08466	0.5
133.10103	1.2
135.04388	0.4
135.11655	1.3
135.60320	0.4
137.05980	0.5
137.09590	0.5
138.12764	0.8
145.10126	0.8
146.99661	0.5
147.04427	3.1
149.01239	0.5
149.38033	0.4
151.11137	1.4
152.06235	0.4
152.11551	0.9
152.14397	0.4
153.01849	0.6
153.07034	0.8
159.11649	0.6
165.06995	0.8
167.03381	1.2
168.07571	0.4
170.07121	0.4
179.03427	0.5
181.04980	5.6
181.06462	1.1
182.19106	0.6
185.01141	0.7
195.08018	0.4
197.13199	0.5
198.06708	0.4
199.07532	0.5
200.36719	0.4
203.02075	0.5
209.06024	0.5
211.07608	0.6
212.11456	0.6
213.78790	0.4
215.14374	0.5
217.04877	0.7
239.06955	0.5
241.08566	0.6
264.26840	20.5
265.27170	0.8
268.10571	0.5
273.03833	0.9
282.27890	42.5
283.28241	1.6
285.07593	0.6
286.04752	0.6
300.09888	0.8
300.13016	1.7
300.28940	100.0
301.03433	3.6
301.07034	13.1
301.10669	7.2
301.15442	1.1
301.21503	2.1
301.29245	3.0
305.05579	0.8
306.05826	0.4
308.41870	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05473	2.1
56.96525	1.2
57.03398	1.3
59.57492	0.6
60.59690	0.6
65.03902	0.7
67.05512	3.2
67.05777	0.7
69.07023	2.1
69.45207	6.0
69.62727	0.6
70.06541	2.7
71.04955	0.9
72.05924	0.6
79.05489	3.7
81.03396	0.7
81.07037	3.4
91.05450	3.3
93.06992	2.2
95.04925	1.9
95.08542	2.8
103.05425	1.0
105.07026	46.7
106.07304	0.8
107.04922	2.7
107.08542	1.4
108.05242	0.6
109.10110	1.4
117.06902	1.1
119.04882	2.2
120.08044	0.9
121.02863	0.8
121.08891	0.6
121.10105	0.9
122.00113	0.7
122.09618	1.6
123.04342	0.8
127.86971	0.7
135.11632	1.5
136.11206	8.3
145.10146	0.7
147.04424	3.2
150.12706	2.0
152.06123	1.0
152.14244	1.1
153.06947	1.6
161.01309	0.7
164.14352	0.8
165.62956	0.7
167.03366	1.5
170.07362	0.6
179.03427	0.9
181.05026	6.4
181.06447	1.7
184.11205	3.6
187.07474	0.7
195.06456	0.9
196.06819	1.7
198.06821	0.8
202.12280	2.8
202.15926	0.9
212.14352	1.4
217.04958	1.1
225.04951	0.7
225.08612	0.7
226.15842	4.3
227.07008	1.1
242.05525	0.8
254.19052	1.2
256.20593	100.0
257.20938	2.2
264.26883	3.9
273.03912	1.1
281.09293	0.7
282.27911	5.9
285.07663	1.6
300.09689	2.4
300.13086	2.8
300.23227	71.4
300.28592	14.5
301.03436	6.5
301.07080	18.6
301.10693	12.7
301.16269	0.9
301.23642	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	300.0238
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	6.6
70.76477	4.4
70.76861	4.4
98.97580	37.9
116.98621	37.2
119.01908	4.9
120.02025	2.7
131.46860	2.3
132.05057	2.8
134.99646	27.0
135.09035	2.1
150.06151	2.7
153.00795	3.2
155.07031	2.9
162.06778	2.2
177.00958	30.3
178.01068	6.4
179.00761	9.3
192.98587	2.5
201.01021	3.4
210.95827	2.2
214.06352	2.0
218.03659	4.0
219.01994	100.0
220.02100	13.7
221.01845	7.6
221.65453	2.0
223.54486	2.3
236.99393	2.6
240.98692	3.9
244.01912	2.6
251.97789	2.5
252.97018	3.0
256.05368	4.8
258.03049	22.7
258.99643	28.0
261.02979	2.9
262.03082	6.1
263.02835	17.5
274.06253	6.6
276.04120	16.1
276.97153	4.9
277.00516	54.2
279.00809	2.4
282.99982	3.5
294.98035	5.2
299.97876	3.9
300.03943	24.1
300.09781	24.4
301.00989	5.1
317.98898	7.3
318.05322	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	300.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69325	2.6
55.87672	3.4
60.04517	3.4
67.11624	3.1
69.60957	24.7
70.06590	27.6
73.02895	4.7
74.09727	3.8
83.85983	3.0
86.09689	6.0
91.05476	47.9
94.06551	7.8
95.04971	6.7
98.21484	6.9
99.44881	3.3
103.05463	41.5
105.07019	6.4
107.04937	14.7
109.02991	3.8
115.05445	4.6
116.07083	10.4
117.07013	5.6
119.04937	35.9
120.08065	8.6
121.02795	3.5
121.06496	14.5
128.06186	4.3
129.06996	6.7
131.04929	77.8
132.08069	12.7
133.06473	10.8
133.08864	100.0
134.09604	8.7
134.80875	3.6
144.08005	4.6
145.06496	10.4
147.04410	88.3
147.08022	8.9
149.05991	6.6
150.09113	4.3
157.06497	4.6
157.13231	4.2
159.04430	8.8
160.07579	4.8
162.09160	27.9
163.07516	4.0
164.99983	8.8
172.07510	4.9
173.06000	17.2
174.09167	4.3
175.03918	26.1
175.07515	11.2
177.05487	20.7
191.07040	8.0
192.10165	60.1
193.04961	11.3
193.08559	3.3
195.06465	4.5
201.05400	6.9
202.08678	6.0
206.08113	27.0
208.09642	10.7
219.06516	32.5
243.05006	14.7
265.07101	11.6
270.71259	3.3
282.09726	80.3
283.07944	3.6
300.10843	31.7
301.06647	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	299.2005
Annotation	3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-one
Peak:m/z	Relative Intensity
50.23270	0.8
51.21844	0.9
55.05494	3.6
56.96560	1.8
57.03433	1.1
57.07053	0.8
59.12963	0.8
66.00851	0.8
67.05483	3.7
69.03417	1.7
69.07053	3.2
70.80624	1.9
79.05475	5.7
81.03410	1.3
81.07055	4.8
83.04967	2.6
83.08610	2.8
91.05473	29.2
93.07050	5.4
95.04967	2.2
95.08602	6.2
97.06520	0.8
103.05441	1.6
105.07025	21.1
107.04925	2.9
107.08596	6.1
109.06515	1.4
109.10138	1.8
115.05426	2.0
116.06226	8.3
116.98596	1.1
117.06998	2.7
119.04930	8.0
119.08575	15.0
121.06524	1.9
121.10136	6.5
121.85151	1.0
122.84771	0.9
123.08041	2.4
125.09636	2.0
128.06221	1.0
129.06996	8.3
131.04901	2.1
131.08560	40.6
132.08949	1.0
133.06429	1.8
133.10146	5.1
135.08023	2.2
135.11742	1.1
137.05939	1.0
141.06990	1.3
142.07755	1.7
143.08562	4.2
145.06477	1.2
145.10097	3.1
147.08032	1.8
147.11679	1.3
149.09608	4.1
153.06969	1.0
155.08519	2.5
156.09299	2.7
157.10118	5.8
159.08044	100.0
159.11624	2.7
161.09637	2.6
161.13196	1.5
165.06960	2.0
166.90794	1.1
167.08469	1.5
169.10112	3.7
171.11633	3.9
173.13171	1.0
175.11162	1.4
181.10075	1.0
182.10869	1.4
183.11682	2.3
185.09546	1.1
185.13205	0.9
186.10320	1.0
189.12718	3.5
192.09346	1.2
193.10060	1.9
195.11676	1.0
197.09531	1.3
197.13254	3.6
199.11197	5.4
199.14841	1.8
201.12648	1.5
206.10960	1.4
207.11606	2.4
210.10127	1.0
211.11104	2.2
215.14328	2.0
219.05292	1.0
221.13210	2.4
223.14767	2.0
225.12732	3.5
229.11739	0.9
233.13147	1.2
239.14229	2.1
241.16068	1.3
243.13777	3.3
253.19411	1.7
257.18924	1.9
263.17902	2.6
281.18991	20.3
285.10233	1.6
299.05597	1.9
299.09506	1.4
299.12598	4.5
299.20026	38.1
299.27307	1.7
322.64658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17031	5.6
51.47478	6.0
53.03945	13.4
55.01865	13.9
55.05503	36.3
56.96568	6.1
57.03428	14.8
57.07057	6.4
67.05178	7.9
67.05504	96.3
69.07075	27.8
70.06562	15.3
71.04980	6.6
71.35410	8.9
71.35762	8.0
72.52338	5.6
79.05487	100.0
81.03391	17.5
81.07059	85.0
83.01360	5.9
83.04971	15.5
83.08620	17.0
85.06547	8.2
88.23955	7.0
91.05479	91.0
93.07028	98.1
95.04976	38.0
95.08604	45.3
97.06531	8.1
105.07027	85.1
107.04959	67.6
107.08595	36.3
109.06473	8.6
109.10141	26.9
110.75322	5.5
117.06995	13.9
119.04948	9.9
119.08578	35.0
121.02856	8.7
121.06504	15.2
121.10148	11.0
123.04420	5.9
123.08021	9.5
129.06976	25.5
131.04915	55.7
131.08534	7.4
133.06480	17.3
133.10112	26.3
137.02332	9.9
137.05898	14.0
143.08539	20.8
145.06483	12.1
145.10112	14.4
147.04393	22.4
147.11678	53.8
149.09544	5.6
151.11189	15.2
161.09572	12.2
161.13264	16.9
167.07047	22.9
169.08659	6.1
171.11665	38.2
173.05937	11.9
177.05463	7.3
181.04951	6.0
181.06508	6.2
189.12686	13.9
196.08826	8.1
207.13792	23.9
211.07536	6.3
211.11229	15.2
224.08281	8.4
239.10559	7.5
256.20660	17.8
256.69998	6.0
263.25610	10.6
267.10306	7.7
271.13171	6.5
274.48517	6.8
281.17444	67.7
281.26532	34.5
282.12070	8.3
283.09485	7.2
284.10071	23.6
285.10080	8.3
299.05682	14.9
299.09134	79.7
299.12680	85.4
299.20074	9.5
299.27686	82.9
300.09708	11.8
300.12979	6.9
300.19711	8.0
300.23145	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	299.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	16.2
53.03941	6.6
55.01868	12.8
55.05511	51.1
57.03435	42.5
59.04990	4.5
62.47878	3.1
67.05503	33.9
69.03422	6.5
69.07072	11.2
71.01349	8.0
71.04628	6.5
71.04990	4.0
72.26229	3.4
79.05481	24.1
81.03416	12.9
81.07053	49.9
83.04985	10.2
83.08620	32.6
91.05486	59.6
93.07040	44.1
95.04968	13.8
95.08585	11.4
97.02887	13.5
97.06538	10.6
99.00808	69.4
105.07014	43.3
107.04942	16.3
107.08585	15.7
109.02863	17.9
109.06496	7.5
109.10187	15.9
111.04444	4.5
111.08087	10.0
115.03932	11.4
117.06996	8.8
119.08575	30.9
121.05657	4.0
121.06502	19.7
123.04436	5.8
123.11710	6.6
127.03917	11.9
128.06264	3.9
131.08578	7.0
133.06487	7.4
133.10124	100.0
135.07996	6.9
135.11664	5.5
137.05969	7.8
137.09578	4.1
139.07553	11.8
143.08580	12.1
149.09682	3.6
151.11160	36.7
161.09612	59.9
165.09096	4.3
171.08063	9.5
179.10637	38.0
189.09090	31.0
197.11716	16.5
207.10184	15.5
212.55736	3.4
225.11171	40.7
243.12300	8.0
292.12787	3.1
299.14865	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1277
Annotation	7,4'-Dimethoxy-6-C-methylflavanone
Peak:m/z	Relative Intensity
55.01870	1.9
55.05493	4.3
57.03430	1.3
65.50968	1.3
67.05502	6.2
69.03413	1.7
69.07046	3.2
70.02685	4.8
70.03104	2.6
70.06582	3.0
72.04501	1.7
79.05489	8.3
81.03409	1.5
81.07054	6.7
82.06573	1.1
82.07355	1.3
83.01299	3.1
83.04987	2.1
83.08616	2.3
85.10188	1.4
86.06036	1.7
91.05467	5.6
93.07015	3.6
95.04948	4.8
95.08585	5.2
97.06496	1.9
98.21424	1.1
103.05440	5.5
105.07026	27.4
107.04948	76.8
107.08598	3.3
109.06487	2.0
109.10165	2.8
109.49274	1.2
111.04357	1.4
115.05431	2.8
117.06996	4.3
117.72112	1.3
119.04983	1.8
119.08553	1.4
121.06496	20.0
123.08064	3.9
131.04926	43.0
131.08536	1.3
132.05641	3.9
133.06490	26.0
133.10100	3.5
137.05984	2.1
138.06746	1.3
138.33182	1.3
139.07539	7.7
144.05670	1.4
145.06474	15.1
147.04398	4.2
151.07518	7.8
153.01804	5.6
154.06233	1.5
155.08556	1.4
159.08041	1.8
165.05589	1.5
165.06909	2.5
167.07039	37.4
168.07800	3.6
168.09262	1.4
169.06413	1.5
169.08568	5.2
169.09880	1.3
173.05930	1.8
175.07607	1.6
177.05458	3.2
178.07828	1.8
179.07007	1.6
181.06482	5.1
181.08630	2.8
181.10074	2.1
182.07133	1.6
183.08092	2.6
190.06259	2.7
191.07028	4.7
193.10103	2.7
195.08064	1.8
196.08806	7.8
197.09584	2.5
200.97656	1.2
205.08607	4.1
211.07576	2.3
211.11176	23.3
221.09662	2.7
224.08276	5.0
229.14383	1.2
239.10643	12.1
241.08498	1.5
249.09012	1.9
251.07158	1.6
252.07767	1.8
253.08485	1.6
255.62294	1.2
256.10886	2.5
262.25418	1.4
263.25809	2.1
267.10181	18.8
268.10876	3.6
269.07977	2.8
271.13190	4.4
280.26389	2.3
281.11661	2.7
281.26590	8.3
283.09659	15.5
284.10507	7.6
298.27414	4.3
299.05573	4.8
299.09537	4.6
299.12747	100.0
299.27744	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1277
Annotation	Enterolactone
Peak:m/z	Relative Intensity
53.03937	2.1
54.47453	1.1
55.01863	2.2
55.05513	2.4
56.96544	2.3
57.03432	1.2
67.05485	4.9
67.51734	1.0
69.03408	4.1
69.06766	1.1
69.07058	11.6
70.06590	2.8
70.85403	3.2
78.91676	1.1
79.05500	9.5
81.03376	2.9
81.07054	6.1
83.01336	5.5
83.04949	1.6
83.08640	1.4
85.02893	2.2
90.47570	1.4
91.05458	4.1
93.07024	4.4
95.04940	6.0
95.08571	4.2
96.08115	1.4
97.02900	1.2
100.10623	1.3
103.05451	5.3
105.06381	1.7
105.07025	24.4
106.95052	1.4
107.04945	84.6
107.08589	1.7
109.02831	1.7
109.06504	2.0
109.10149	2.7
111.08074	1.6
115.05434	3.1
116.98591	1.3
117.06969	3.3
119.04922	1.4
119.08583	1.4
120.75112	1.1
121.05660	1.4
121.06499	23.6
122.09597	1.5
123.04421	1.9
123.08026	3.5
123.11667	4.2
129.07008	1.3
131.00117	1.8
131.04919	46.4
132.05652	3.9
133.06487	29.0
133.10123	1.5
134.99608	1.6
137.02361	6.6
137.05922	3.1
139.07491	5.8
141.19261	1.3
145.06479	16.2
146.99628	1.6
147.04373	3.9
149.01201	2.5
151.07533	7.5
151.11168	4.5
153.01782	2.9
153.06924	2.1
154.06390	1.4
155.07011	1.7
161.01169	1.6
161.05869	1.9
162.06783	1.1
165.06950	1.8
165.09116	1.3
167.07025	36.9
168.07716	2.8
169.08646	6.2
169.09941	1.3
173.05904	2.2
175.07542	1.2
177.05467	1.5
178.07689	1.4
179.07016	2.7
179.08513	1.4
181.06450	4.9
181.08572	4.0
183.08035	3.3
185.09566	1.5
187.07529	2.4
190.06261	2.1
191.07036	6.9
191.08553	1.2
193.08479	1.8
193.10101	4.1
195.07954	2.8
196.08821	9.9
197.09538	1.8
203.02174	1.8
205.08566	2.7
211.07649	2.7
211.11153	24.8
212.08264	1.9
221.09526	2.7
224.08287	5.2
225.09068	2.1
239.10677	13.9
241.08525	1.8
249.08983	1.8
252.07825	2.1
253.08557	2.9
253.12352	1.8
262.25156	1.7
263.25558	6.2
267.10159	21.3
268.10809	5.0
269.08069	5.3
271.09991	1.6
271.13159	3.2
280.26233	1.5
281.11847	1.9
281.26743	6.7
283.09601	15.0
284.10330	11.5
298.27481	9.5
299.09210	9.2
299.12698	100.0
299.27682	36.0
305.05353	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	299.1277
Annotation	7,4'-Dimethoxy-6-C-methylflavanone
Peak:m/z	Relative Intensity
53.03930	2.0
55.01862	1.3
55.05499	1.3
67.05497	1.4
70.99506	1.6
79.05497	6.4
79.99458	0.5
81.03407	0.9
81.07040	1.1
83.04984	1.0
89.58421	0.5
91.05461	3.6
93.07022	2.0
95.04961	3.9
95.08569	0.8
97.02792	0.6
98.97524	0.6
103.05464	5.4
105.07024	19.2
107.04948	69.8
109.06529	1.1
109.10170	0.9
111.04491	0.6
115.05430	1.6
116.98629	0.8
117.07009	2.4
119.04912	0.6
119.08586	1.0
121.02872	0.9
121.06499	19.1
123.08035	2.0
124.05172	1.0
125.05959	0.6
125.09527	0.7
131.04924	45.9
132.05669	2.1
133.06485	23.2
133.10126	1.0
134.99661	0.7
135.04420	1.5
136.05150	1.2
137.05946	1.5
139.07541	5.5
139.72911	0.5
144.05719	0.6
145.06480	9.9
147.04398	1.9
147.08041	1.1
151.07527	7.0
153.05421	1.1
154.06273	0.7
155.07048	0.8
157.06436	1.0
161.06003	1.2
165.05466	1.3
165.06966	0.7
165.09103	2.2
167.07034	31.7
168.07762	2.2
169.08588	7.0
172.05208	1.1
173.05855	0.6
177.05544	0.7
178.07788	1.5
179.07025	1.7
179.08569	2.6
179.10593	0.5
181.06541	2.9
181.08540	3.2
182.07199	0.9
183.08141	0.7
187.07463	1.3
189.06908	0.7
190.06236	0.8
191.07033	3.2
191.08505	1.1
192.07780	0.8
193.08516	1.2
194.07272	1.6
195.08025	2.0
196.08810	3.4
197.09619	1.7
199.07663	0.9
205.08594	2.4
207.08034	4.7
208.08833	2.1
209.09708	2.9
210.06857	0.8
211.07513	2.5
211.11104	0.8
212.08194	0.6
213.09138	1.0
221.09695	0.7
223.07469	1.5
224.08295	9.7
225.09100	6.3
227.07056	0.9
235.07498	3.5
236.08356	1.0
237.05487	0.8
237.09180	1.4
238.09712	0.8
239.10655	7.4
240.11427	2.5
241.08537	2.7
249.08875	0.8
251.07007	1.2
252.07840	4.5
253.08606	5.6
256.10999	1.6
267.10162	15.9
268.07657	1.1
268.10907	6.4
269.08054	6.9
269.10989	0.8
271.13287	3.1
281.11658	0.7
283.09641	6.9
284.10440	7.2
285.10184	1.6
299.12750	100.0
300.13022	1.6
315.52780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1277
Annotation	Callosuminin
Peak:m/z	Relative Intensity
53.03934	1.5
53.32859	0.6
55.01849	0.9
55.05503	1.5
56.96558	1.5
60.89080	0.7
65.52960	0.7
67.05492	2.0
69.03405	0.8
71.59143	0.9
79.05476	5.5
81.03436	0.8
81.07043	2.4
83.04951	1.4
83.17758	0.8
90.13474	0.8
91.05462	4.4
93.07040	1.9
95.04979	3.7
95.08599	1.0
103.05466	5.4
105.07018	20.1
107.04951	71.1
107.08561	1.0
109.06496	1.1
115.05483	1.2
117.06998	2.2
121.02898	1.5
121.06501	17.3
123.04411	1.1
123.08087	1.5
124.05196	1.0
131.04922	41.3
132.05690	2.6
133.06483	22.7
133.10155	1.1
135.04422	1.5
137.05956	1.5
138.06728	0.8
139.03906	1.3
139.07523	5.3
145.06479	10.7
147.04399	2.8
151.07532	6.6
153.05383	0.8
153.06903	0.9
155.07039	1.8
157.06502	0.8
159.08044	1.5
161.06151	0.9
165.05505	1.7
165.07007	1.0
165.09085	6.9
167.05615	1.8
167.07037	31.9
168.07819	2.4
169.08630	6.0
173.06061	1.0
177.05481	0.9
177.08972	0.8
178.07782	1.3
179.06981	2.0
179.08601	2.2
181.06509	2.1
181.08578	2.5
181.10057	1.0
181.68857	0.8
187.07516	1.2
191.07034	2.4
191.08537	0.9
193.08633	1.4
195.08092	1.8
196.08838	2.9
197.09598	1.6
205.08571	3.0
207.08031	3.3
208.08856	1.9
209.09641	1.8
210.06740	1.4
211.07507	2.6
213.09128	1.1
221.09470	1.2
223.07578	0.8
224.08307	9.7
225.09149	6.0
235.07523	3.4
236.08409	1.5
237.09085	1.8
238.33820	0.8
239.10619	6.3
240.11401	2.9
241.08585	2.3
251.07018	2.3
252.07813	3.2
253.08578	9.1
254.05722	1.1
256.10938	1.4
267.10205	13.0
268.07782	1.2
268.10931	10.5
269.08127	8.1
271.13168	4.8
275.97586	1.2
283.09650	8.4
284.10400	10.4
285.10037	1.5
299.12756	100.0
300.13040	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	299.1275
Annotation	7,4'-Dimethoxy-6-C-methylflavanone
Peak:m/z	Relative Intensity
53.03932	1.8
55.01860	0.9
55.05502	1.1
56.96558	0.7
67.05497	2.4
69.03424	0.8
69.07090	1.0
70.31494	0.8
70.31838	3.2
79.05482	5.6
81.07039	2.5
83.04982	1.6
85.92407	0.8
91.05488	7.5
93.07054	2.2
94.85105	0.7
95.04958	4.8
95.08637	1.8
103.05458	4.9
105.07024	18.7
107.04951	58.9
107.08595	2.3
109.06493	1.3
109.10191	0.9
114.37223	0.8
115.05428	2.0
117.07005	2.0
119.04936	4.1
119.08555	2.6
121.02856	2.2
121.06494	14.2
121.10165	1.5
123.04415	0.8
123.08080	2.1
129.06981	2.1
131.04921	40.1
131.08571	5.2
132.05692	2.5
133.06480	19.7
133.10167	1.1
134.99605	0.8
135.04420	2.2
135.08066	1.1
136.05222	0.9
137.05957	1.1
139.07527	4.6
142.07730	0.9
143.08548	0.9
145.06474	9.3
145.10149	0.8
147.04431	1.2
151.07521	5.4
155.07036	1.5
157.10097	0.9
159.08044	14.5
161.05980	0.9
165.05440	1.1
165.06941	1.2
165.09108	1.6
167.07043	26.7
167.08391	1.1
168.07849	2.4
169.08640	5.9
171.64456	0.7
172.05107	1.5
178.07716	1.3
179.03426	1.1
179.07030	2.1
179.08531	1.5
181.04947	6.3
181.06502	2.2
181.08568	2.6
182.07135	1.2
183.08006	1.3
187.07556	0.8
191.07048	3.2
193.08542	1.2
193.10168	1.1
194.07309	1.2
195.08080	1.6
196.08868	3.0
197.06085	1.0
197.09599	2.3
199.14931	0.8
205.08527	1.6
207.08054	3.6
208.08797	1.4
209.05917	1.0
209.09592	1.4
211.07559	1.2
211.11067	1.0
213.09059	0.9
223.07545	1.9
224.08313	7.8
225.09041	4.6
225.12689	0.9
235.07512	2.5
237.09140	1.2
239.10635	6.6
240.11375	2.4
241.08604	1.8
251.07082	1.5
252.07866	3.5
253.08598	4.6
253.12587	1.0
256.10748	1.3
266.09250	0.8
267.10196	12.3
268.10898	4.0
269.08130	4.6
271.09708	0.8
271.13251	2.9
275.97925	0.8
281.11588	0.9
281.18997	3.0
283.09610	6.0
284.10342	6.7
297.07639	2.7
299.09140	100.0
299.12775	93.2
299.19864	6.1
299.27454	0.9
300.09491	3.6
300.12924	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1277
Annotation	7,4'-Dimethoxy-6-C-methylflavanone
Peak:m/z	Relative Intensity
53.03943	1.4
55.01868	1.5
63.44304	0.8
65.03937	1.0
67.05499	1.0
70.85227	1.7
70.85542	0.9
78.95403	0.9
79.05492	5.6
81.07032	1.0
82.02438	0.9
83.01317	3.1
91.05466	3.2
93.07016	2.1
95.04975	5.2
95.08584	1.7
103.05445	4.9
105.07026	22.3
107.04954	75.3
111.08076	1.0
115.05444	2.5
117.07001	2.0
119.04980	1.8
121.02889	1.2
121.06501	19.7
123.08069	2.4
127.07561	0.9
131.04926	46.7
132.05695	3.1
133.06491	30.9
137.02339	1.6
137.05974	2.3
139.07501	6.3
144.05685	1.0
145.06480	14.0
147.04381	2.4
147.08014	1.1
151.03886	1.0
151.07549	8.5
153.05421	1.8
154.06291	1.1
155.07079	1.7
159.08055	1.6
163.07521	1.1
163.17314	0.8
165.05533	1.9
165.06892	1.2
167.07040	36.6
168.07808	3.2
168.09270	1.0
169.06479	1.1
169.08586	7.3
171.08005	1.1
173.06032	1.8
177.05496	1.4
178.07770	1.8
179.07072	1.2
179.08504	1.4
181.06407	4.2
181.08551	2.4
181.10042	1.3
182.07271	0.9
183.08047	3.5
185.09610	1.7
190.06290	1.9
191.07030	6.2
193.08572	1.2
193.10123	2.6
195.08006	2.0
196.08827	9.3
197.09535	1.8
205.08662	2.1
207.08009	1.4
211.07562	3.2
211.11185	23.3
213.08994	1.2
216.19037	0.9
221.09651	1.4
223.07497	0.9
224.08348	4.4
225.09142	1.1
227.07018	1.2
238.09949	1.7
239.10686	13.1
241.08762	1.7
249.09135	1.9
251.07065	1.1
252.07915	1.6
253.12354	1.3
256.10626	1.3
267.10172	18.9
268.10889	2.2
269.08096	4.2
271.13315	2.7
272.56418	1.1
281.11777	2.8
283.09604	17.6
284.10419	8.7
299.12753	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1275
Annotation	Enterolactone
Peak:m/z	Relative Intensity
53.03944	1.6
54.71044	1.0
55.01860	1.3
61.17529	1.0
67.05483	1.8
69.03405	1.3
69.96189	2.4
69.96599	3.6
78.61835	0.9
79.05497	6.4
81.06991	2.1
83.01329	3.9
91.05458	6.4
93.07053	1.7
95.04943	4.3
97.02883	0.9
103.05461	5.7
105.07030	23.0
107.04951	78.3
107.08586	1.1
111.04459	1.1
115.05440	2.7
117.07021	2.4
119.04922	1.5
121.02833	1.9
121.06501	20.9
123.08051	1.9
127.07485	1.2
131.04918	41.5
132.05737	5.8
133.06487	30.2
133.10143	1.1
135.04388	1.1
137.02347	7.6
137.05994	2.5
138.06717	1.1
139.07521	5.0
145.06467	15.9
147.04367	1.2
149.06006	1.2
151.03981	1.6
151.07538	9.1
153.01865	1.5
153.05473	1.2
154.06233	1.0
155.07095	2.0
161.06015	1.7
167.07037	35.7
168.07787	3.2
168.09323	1.2
169.08562	3.7
173.05948	1.5
175.07574	1.7
177.05438	2.9
178.07755	2.2
179.03427	3.3
179.07056	1.6
179.08606	2.1
181.06508	3.8
181.08589	3.9
181.10075	1.8
182.07204	1.8
183.08022	2.8
190.06158	1.4
191.07027	7.1
193.10139	3.6
195.08067	1.8
196.08842	9.1
197.04401	2.8
197.06053	1.6
197.09447	2.4
201.09146	1.1
205.04964	1.1
205.08592	2.1
210.06645	1.7
211.07726	4.6
211.11163	25.0
212.08391	1.3
213.08923	1.1
221.09592	2.8
223.07481	1.3
224.08292	6.7
225.09047	2.3
234.06818	1.3
237.09225	1.0
238.06161	1.2
238.09889	2.1
239.10655	11.7
249.09036	1.7
252.07825	2.0
253.08781	2.2
253.12376	1.9
256.10922	2.2
267.10101	18.1
268.10870	3.1
269.08099	2.5
271.09811	1.7
271.13266	4.3
281.11612	3.0
283.09677	14.4
284.10382	8.9
299.06036	5.0
299.09372	4.5
299.12756	100.0
300.13107	1.7
321.72534	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0913
Annotation	5,4'-DIMETHOXY-7-HYDROXYFLAVONE
Peak:m/z	Relative Intensity
55.05499	1.2
56.05029	0.4
57.03407	0.4
57.07064	1.2
62.05158	0.3
64.36333	0.4
65.03912	0.4
65.82526	0.3
67.05499	1.0
69.07057	1.1
71.08614	0.6
72.08152	3.3
74.52690	0.3
79.05480	1.0
80.05016	0.3
81.03394	0.4
81.07026	1.0
83.04980	0.4
83.08605	0.6
85.10162	0.4
91.05458	1.0
93.07038	0.6
95.08595	1.0
98.20687	0.6
105.06998	0.7
107.04948	1.9
109.10153	0.6
116.98638	0.4
119.04922	0.8
119.08567	0.6
121.02852	2.0
121.06528	0.5
125.02357	0.4
131.04900	1.1
133.06509	0.4
134.99684	0.7
135.04459	0.5
138.03105	0.7
145.02792	0.5
147.04330	0.5
153.01852	1.1
157.89125	0.3
158.97484	0.3
165.01877	0.4
167.07016	0.6
181.04950	1.5
181.08571	0.4
183.02946	0.4
184.03624	1.1
227.06976	0.8
228.07777	0.6
229.04990	1.5
229.39529	0.5
255.06511	2.9
256.07306	3.2
267.06537	1.6
275.97702	0.4
280.26428	1.1
281.26776	4.2
282.27890	3.4
283.05988	12.3
283.09045	0.8
284.06769	18.9
293.98602	0.4
297.07751	0.6
299.09137	100.0
299.30457	2.1
300.09427	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	299.0912
Annotation	3-HYDROXY-3',4'-DIMETHOXYFLAVONE
Peak:m/z	Relative Intensity
52.78404	0.1
53.12600	0.1
55.01874	0.2
57.03433	0.2
65.03958	0.2
67.05490	0.5
68.99775	0.2
71.67917	0.1
79.05508	0.6
81.03411	0.4
81.07034	0.3
83.01341	1.0
89.23962	0.1
91.05486	1.4
95.04965	0.2
98.20765	0.3
105.07021	0.2
107.04951	1.0
119.04949	3.4
121.02846	1.4
135.04402	0.6
145.02869	0.8
147.24188	0.1
151.03864	0.2
153.05551	0.2
153.07040	0.2
155.04959	0.1
155.08646	0.1
159.08098	0.1
163.03912	0.4
165.06963	0.2
169.06522	0.3
174.19908	0.1
178.07796	0.2
179.03380	1.4
179.08548	0.2
181.04961	7.6
182.07231	0.2
197.04439	0.6
197.06023	0.3
206.16638	0.1
225.09142	0.2
253.08519	0.3
256.07236	0.2
257.08093	0.3
271.09634	0.6
283.06027	0.6
284.06848	1.0
285.10062	0.3
294.81970	0.2
297.07584	3.1
298.08005	0.2
299.09128	100.0
300.09488	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0912
Annotation	Alfalone
Peak:m/z	Relative Intensity
53.03936	0.9
55.01878	0.9
55.05510	1.4
56.96553	1.6
57.03421	1.0
57.07067	0.8
67.05492	2.2
67.92648	0.6
69.03403	0.9
69.07041	1.5
70.06599	0.8
71.01347	2.0
71.17090	1.7
79.05506	3.2
81.07034	3.6
89.43990	0.6
91.05473	2.0
93.07033	1.9
95.04963	1.6
95.08614	1.9
97.02835	0.7
103.05453	0.6
105.03316	0.7
105.04517	0.7
105.07022	2.2
107.04951	100.0
107.08578	1.7
108.05277	1.6
109.10157	1.1
115.83414	0.7
117.07012	0.9
119.08584	1.0
121.06495	1.5
121.10130	1.0
124.63096	0.7
131.04913	2.9
131.08525	1.7
133.06454	1.6
133.10139	1.6
134.99641	0.7
135.11668	0.9
137.02347	0.8
137.05977	0.8
137.09615	0.8
143.08583	1.1
145.06435	1.1
145.10100	1.4
147.04367	1.6
147.11679	0.9
153.01855	0.9
155.08525	0.8
165.09102	2.7
167.07048	2.0
169.10165	0.7
173.13283	1.6
185.13248	0.7
191.06902	0.8
192.04192	1.1
193.04956	32.5
197.04646	0.8
197.07684	0.7
202.32698	0.7
203.05887	0.9
205.08643	1.3
211.11201	0.9
225.09105	0.8
229.19502	1.3
239.10617	1.1
253.08633	2.7
263.25851	0.7
267.09180	2.7
268.11066	2.3
269.08023	1.2
281.18884	1.2
281.26752	1.3
284.10217	1.4
285.10120	4.4
298.27200	1.1
299.09174	53.5
299.12747	7.3
299.19992	5.0
299.27579	5.0
300.09543	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
51.02386	0.3
52.95604	0.2
53.03939	0.8
55.01876	0.3
55.77617	0.2
63.98936	0.2
67.01867	0.3
68.99789	0.2
69.50336	1.7
71.80943	0.2
77.03907	0.2
79.05491	1.2
81.03407	0.3
95.04962	1.6
105.04489	0.2
107.04948	100.0
108.05292	1.3
121.02843	1.2
125.05997	0.3
137.02332	0.3
137.05946	0.3
141.01784	0.2
147.04381	0.6
149.17488	0.2
153.01814	1.0
165.01846	0.4
169.06314	0.2
192.04131	1.3
193.04955	34.1
194.05310	0.4
271.05893	0.3
299.05557	3.6
299.09094	56.2
300.06247	0.3
300.09341	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28609	0.4
63.38159	0.4
69.03410	0.8
69.83342	1.0
69.83757	1.6
78.19131	0.5
79.01855	4.1
80.35788	0.4
83.04964	1.9
85.02902	0.5
88.94538	0.4
90.84045	0.4
91.05471	0.6
97.02876	0.9
98.21411	0.6
107.01355	0.7
107.04954	7.5
107.97102	0.4
111.04442	3.2
119.04939	1.3
119.34175	0.5
125.02321	3.8
125.02971	0.3
129.49205	0.4
137.90274	0.4
143.03398	7.8
147.04436	3.3
153.01823	100.0
153.02795	3.9
154.02170	1.4
157.53404	0.4
173.06035	0.4
179.03395	1.3
181.01314	1.2
193.04977	3.9
197.04474	0.5
199.03912	0.5
201.05476	1.2
207.02849	4.2
209.04469	0.4
219.06564	1.4
221.04361	0.9
223.02425	1.2
235.06100	0.7
237.03902	0.6
263.05411	1.0
267.09900	0.5
281.06610	3.4
291.94919	0.5
299.05780	0.9
299.09140	6.4
299.26932	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2739
Annotation	3-ketosphingosine
Peak:m/z	Relative Intensity
55.05281	0.4
55.05508	3.1
57.07055	0.3
67.05502	3.1
68.05022	0.4
69.07059	3.9
69.59702	1.9
70.06596	3.6
79.05486	1.8
80.05026	0.3
81.05797	0.4
81.07046	2.3
82.06577	1.6
83.08598	0.8
84.08129	0.5
89.64150	0.3
90.54232	0.3
91.05474	0.8
93.07024	2.6
94.06552	3.1
95.07332	0.5
95.08588	1.5
96.08118	4.9
98.09733	0.4
105.07024	0.8
107.07357	0.7
107.08596	1.0
108.08102	3.2
109.08915	1.7
109.10153	0.8
110.09658	2.3
120.08115	0.6
121.10152	0.7
122.09649	3.4
123.10474	0.4
124.11269	0.4
136.11208	1.2
138.12755	0.4
140.10727	0.6
164.70850	0.4
222.22124	0.8
259.28641	0.4
260.23737	1.2
262.25290	16.1
280.26343	16.8
298.27390	100.0
299.27695	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	298.2738
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
53.03925	1.2
55.05508	12.2
56.05035	1.6
57.03424	2.9
57.07054	3.7
57.07301	0.7
58.06589	4.7
59.97320	0.7
64.27575	0.9
67.05174	1.2
67.05501	16.6
69.07059	12.2
69.52765	6.9
70.06587	23.1
71.04992	2.5
72.04211	0.8
72.04514	10.6
73.05269	1.9
74.06082	1.6
79.05486	8.9
81.07050	22.7
82.06567	2.5
83.04984	3.9
83.08616	7.3
84.08126	2.0
85.37022	0.7
86.05581	1.1
86.06061	15.3
87.04992	1.0
91.05486	4.2
93.07047	8.9
94.06561	1.7
95.04949	1.8
95.08598	21.5
96.08134	5.4
97.06519	5.4
97.10165	5.5
98.09676	3.3
98.97569	2.6
100.07615	1.1
105.07026	5.1
107.04919	3.1
107.08582	7.4
108.08128	1.3
109.06514	4.2
109.10142	8.8
110.09666	2.0
111.08096	1.9
111.11704	1.4
112.07582	1.1
116.98633	2.6
119.08562	2.5
121.10120	3.8
122.09673	0.9
123.11703	2.5
131.04903	2.8
133.10092	2.6
134.99675	1.9
135.11642	3.6
136.06198	1.7
137.13243	1.2
147.11661	2.5
149.13217	1.0
161.13187	1.8
163.14749	2.0
167.07031	2.1
175.14853	1.0
197.09445	1.0
204.01373	0.8
216.85179	0.8
245.22786	2.0
262.25259	13.8
263.23618	6.9
274.97571	2.2
280.26343	47.1
281.24710	2.4
292.98532	2.3
298.27383	100.0
299.09720	1.7
299.12839	4.4
299.27768	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	298.274
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
55.05510	14.6
56.05032	7.8
56.96560	3.5
57.07060	4.1
58.02956	3.6
60.04510	3.9
64.95908	1.2
67.05502	20.7
68.05018	2.8
68.14002	1.2
69.03413	1.4
69.07066	15.8
70.66300	1.9
70.66640	2.2
71.08624	1.8
74.06106	1.1
79.05493	15.2
80.05028	2.7
81.07054	17.6
82.06572	11.7
83.08599	8.0
85.10208	1.0
86.06044	2.0
91.05492	6.3
93.07042	9.7
94.06566	4.1
95.04960	1.6
95.08601	12.8
96.08125	2.5
97.06512	1.4
97.10155	3.3
98.06048	2.1
98.20810	1.2
98.46230	1.1
98.97569	8.5
100.07607	2.5
105.07040	4.1
107.08574	3.3
108.08120	1.8
109.10176	5.9
116.98624	10.7
119.08561	4.1
121.10122	4.4
122.09663	1.3
123.08083	1.0
123.11718	1.9
133.10126	2.3
134.99663	11.4
135.11635	1.4
153.00676	3.2
154.12338	1.4
158.01277	1.7
159.55583	1.0
190.33006	1.0
190.95358	2.3
197.04527	1.6
232.96381	1.5
245.23180	1.2
250.25272	8.5
256.96335	1.5
262.25214	4.0
263.23843	1.2
270.18933	1.0
274.97510	13.8
280.26340	100.0
281.26816	1.5
292.98535	11.5
298.27405	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	298.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.05507	8.6
56.05042	3.6
56.96546	2.0
57.03395	0.7
57.07053	2.6
58.02935	1.9
60.04500	1.8
65.03903	1.1
67.05167	1.0
67.05498	13.5
68.05013	1.6
69.07063	7.3
69.27748	0.6
71.08631	1.2
79.05493	6.9
80.05007	2.2
81.07054	9.7
82.06568	5.7
83.04972	0.9
83.08601	4.0
85.10143	1.1
86.06046	1.3
91.05472	4.4
93.07048	4.8
94.06550	2.8
95.04961	1.6
95.07298	0.8
95.08606	7.9
96.08095	1.4
97.10133	1.9
97.75255	0.6
98.97572	5.4
100.07585	1.4
105.07011	2.3
107.08565	2.9
108.08117	0.8
109.10146	2.5
116.98618	7.2
117.47514	0.6
118.17010	0.6
119.08577	2.1
121.02864	1.7
121.10135	2.5
122.09657	1.0
123.11739	0.8
128.50656	0.7
133.10138	1.1
134.06816	0.7
134.99643	10.4
135.11667	1.4
136.06100	1.1
138.03140	1.0
147.11649	0.9
153.00705	2.9
158.01250	1.6
161.13232	0.7
166.02635	0.8
181.04938	2.0
184.03708	0.9
190.95314	1.1
192.79865	0.6
215.33029	0.7
223.25975	0.6
227.06909	0.8
229.04878	0.8
232.96474	0.7
245.22603	0.8
250.25346	6.0
255.06532	1.9
256.07339	2.8
256.96582	1.4
262.25317	3.0
267.06509	1.2
274.97482	10.0
280.26334	53.2
281.26587	0.9
282.28061	0.8
283.05978	14.1
284.06763	18.5
292.98535	8.7
297.99023	1.5
298.27374	2.5
299.09113	100.0
316.00168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01861	5.5
57.03424	4.3
58.06612	1.5
61.02922	10.4
65.03919	1.5
67.05496	2.4
69.03430	7.8
69.56752	3.7
69.57184	6.9
71.04972	1.9
72.04505	1.7
73.02903	3.3
81.03425	8.0
82.03737	1.9
83.04973	3.6
85.02413	2.6
85.02899	32.5
91.05470	3.6
92.04990	7.6
94.06561	18.0
95.04950	4.4
97.02876	12.3
98.97607	1.5
99.04438	2.8
102.39710	1.4
103.03943	4.7
104.05003	2.1
106.06556	4.3
109.02872	5.5
110.03214	2.3
111.04430	5.9
115.03926	1.5
115.05486	2.9
117.05784	7.3
118.06544	29.4
120.04460	65.9
123.04419	9.9
125.02408	1.6
127.03909	6.5
129.07001	1.4
130.06517	15.1
132.04439	4.9
132.08086	41.1
134.06012	1.2
135.08060	1.7
136.06209	4.8
136.07564	43.5
139.03905	17.6
141.05432	1.7
142.06505	1.8
143.07285	1.5
144.08095	3.8
146.06000	100.0
148.07571	9.0
151.03891	3.6
153.01813	6.8
154.02139	8.6
156.08102	2.6
158.06020	4.9
159.06795	3.3
160.07571	70.9
168.08025	2.2
169.04973	4.8
170.06012	1.5
170.09711	1.9
172.07562	20.3
173.18513	1.5
174.09125	1.3
178.08575	3.3
183.06772	3.4
184.07550	10.6
185.08409	1.3
186.09148	2.9
188.06964	1.4
190.08652	1.9
196.07561	5.2
198.09189	8.1
202.08632	7.3
214.08638	10.8
220.09746	1.6
226.08664	8.2
232.09602	4.5
238.10742	7.9
244.09634	9.2
244.40617	1.7
256.11777	4.4
262.10620	7.9
280.11783	18.6
298.06424	4.7
298.12845	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0966
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.03943	0.2
53.54764	0.1
55.01866	0.3
56.96553	0.1
57.03430	0.2
58.06341	0.2
58.06600	2.1
61.01148	4.8
61.02907	0.1
69.03442	0.6
69.03761	0.1
70.84921	0.3
75.02702	2.2
79.65752	0.1
81.03426	0.6
82.03763	0.3
82.26853	0.1
85.02911	0.3
85.25603	0.1
88.45911	0.1
88.91173	0.1
93.77508	0.1
94.04047	0.4
94.06564	0.3
97.02893	1.6
98.97617	0.2
99.04497	0.2
103.02177	0.5
106.06561	0.1
106.94299	0.1
109.02914	0.2
110.03256	0.2
111.96661	0.1
116.98614	0.1
118.06561	0.2
119.03542	0.9
119.04935	0.2
120.04478	0.7
121.33744	0.1
123.04438	0.2
132.08089	0.3
136.06178	100.0
137.02339	0.3
137.04561	0.6
137.06519	0.7
139.03886	0.2
145.03188	1.3
146.05998	0.7
147.04468	0.2
148.07561	0.3
149.08362	0.2
153.01828	1.3
154.02226	0.7
160.07576	0.4
163.04259	1.3
163.27028	0.1
172.07626	0.2
208.09702	0.2
238.10773	0.1
244.09561	0.1
269.84390	0.1
280.11768	0.1
298.06509	0.5
298.09674	2.9
298.12875	0.4
298.16519	0.3
299.09781	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	298.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01213	0.5
55.01875	0.6
56.96556	0.7
61.32546	0.6
61.64751	0.5
71.33861	0.9
73.02899	2.2
79.05474	1.9
81.03404	0.9
83.01359	0.7
84.04475	0.8
84.48669	0.5
85.02892	1.1
91.03046	0.5
91.05485	5.0
95.04948	2.2
101.13899	0.6
103.05461	1.2
105.07009	2.0
106.06571	0.8
107.04947	7.1
108.05750	1.1
108.08082	0.9
109.06500	0.8
118.06526	0.7
119.04951	4.8
120.04420	1.0
120.08086	1.7
121.08866	0.7
122.06050	0.6
130.06523	1.3
130.18349	0.5
131.04910	2.1
132.05727	1.1
133.06471	2.0
134.05992	12.9
135.04382	3.0
136.06076	0.7
136.06396	0.6
136.07562	8.9
137.05975	0.9
143.04898	1.0
145.06476	1.5
146.05960	0.8
147.04373	3.9
148.07567	13.8
149.05914	1.8
149.08351	60.9
150.09160	4.7
160.07579	2.3
161.05963	1.7
162.05385	0.7
162.09122	0.8
163.03877	1.9
164.07059	0.7
165.05432	0.9
166.07269	0.8
171.04372	1.5
172.07603	1.3
173.02367	0.6
173.06105	1.0
175.03906	1.7
176.07103	0.9
178.08624	14.2
188.07040	3.0
189.05397	1.2
190.08595	1.9
191.03389	2.6
191.07014	1.0
193.05043	0.8
200.06969	0.8
208.09671	38.0
209.10066	0.9
216.06487	3.0
217.04990	1.6
218.08064	1.5
222.07602	20.3
223.08372	1.3
224.09125	5.5
234.07631	1.3
235.05969	4.9
236.09076	2.9
237.03911	0.9
280.08276	0.6
281.06451	2.3
298.09186	100.0
299.09415	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	297.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85363	0.5
53.03933	0.6
55.01855	0.5
55.05516	3.6
57.03416	0.5
57.07069	2.5
58.48563	0.5
58.93456	0.4
59.04997	1.7
65.03934	0.4
67.05501	5.2
68.23438	0.5
69.03432	8.1
69.07066	100.0
70.03745	1.3
70.04138	0.8
70.06587	0.9
70.07401	1.0
71.01354	0.5
71.05003	2.5
79.05502	2.2
81.03436	0.9
81.07055	24.4
82.04185	0.5
82.07387	0.8
83.04980	13.0
85.02906	4.6
91.05466	1.4
91.08734	0.5
93.07018	2.3
95.04965	1.6
95.08600	5.9
96.08141	0.9
105.07043	1.2
107.04968	1.2
107.08575	2.5
109.06522	3.0
109.10154	5.1
111.04447	5.7
119.08607	0.7
121.10190	1.2
123.08115	1.0
123.11706	32.5
129.05528	1.0
131.04944	1.5
133.06549	0.5
133.10184	1.0
135.11684	0.5
145.06477	0.6
151.11179	40.5
152.11560	0.6
153.01886	1.6
191.08522	0.5
203.03400	0.5
207.19411	0.6
215.61592	0.6
223.07710	0.7
237.09201	1.4
237.14816	0.5
244.47313	0.5
253.19865	2.3
254.09520	0.6
262.25534	0.6
264.07840	0.5
265.08713	1.9
266.09247	0.7
267.10104	0.7
279.10403	1.0
279.25174	4.7
282.08969	1.4
283.09677	1.1
297.11377	5.0
297.16962	9.2
297.22638	2.1
297.26077	15.7
297.29260	0.8
298.12140	1.4
298.27502	1.5
304.39337	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82322	0.7
51.23640	0.9
53.03943	5.3
55.01850	2.4
56.96569	0.9
57.03430	1.5
61.02910	1.5
67.05488	1.6
69.03423	10.5
69.07047	1.2
70.32641	0.9
70.71416	1.8
70.71811	1.8
71.04964	3.5
72.08128	0.9
73.02888	1.5
79.01836	2.8
79.05457	1.6
81.03414	52.6
81.07035	2.6
83.04955	1.0
83.08613	0.9
84.38670	0.9
85.02882	2.4
91.05430	2.3
93.07024	2.5
95.04964	1.2
95.08570	2.6
97.02876	4.2
98.21360	0.9
99.04457	6.8
105.07012	2.1
107.01287	1.4
107.04926	3.1
107.08573	2.1
109.02877	11.6
109.10123	1.6
117.05457	1.2
119.08540	2.5
120.08121	1.6
121.10112	1.7
123.04411	0.9
125.02341	3.1
127.03890	3.5
131.08582	0.9
133.10098	1.8
135.09135	2.0
135.11661	2.1
137.05940	1.2
143.03358	3.4
145.10103	1.6
147.09163	58.0
148.06284	3.1
149.05962	1.0
153.01825	59.1
154.02127	1.5
159.04350	1.1
161.07106	0.9
162.07874	5.4
163.08665	47.6
171.02815	1.9
172.85812	0.9
175.08667	100.0
177.12694	0.9
189.10161	2.0
194.02655	2.2
194.07298	1.7
200.09273	1.6
203.11795	1.3
205.09715	12.3
211.07372	1.1
215.11816	5.9
219.11252	1.3
222.06769	1.5
237.09059	2.4
243.11307	9.3
251.07399	0.9
261.12344	4.4
265.08618	2.3
279.13370	31.8
281.19873	0.9
297.05884	14.3
297.11166	8.3
297.14380	52.2
313.41318	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01616	0.3
51.02382	0.8
53.00327	0.3
53.03945	6.1
55.01874	1.1
56.96552	0.7
57.03429	0.6
63.87459	0.3
64.38898	0.3
67.05488	0.4
69.03428	11.1
71.04990	1.4
79.01846	5.5
79.05493	0.6
81.03413	51.9
81.07037	0.5
83.04953	0.3
85.02868	0.6
91.05458	0.4
93.07056	0.4
95.08607	0.4
95.56020	0.3
97.02880	5.9
99.04456	2.9
103.08117	0.3
103.74034	0.3
107.01338	1.7
107.04963	0.5
107.08554	0.4
109.02875	17.6
121.10133	0.3
123.00791	0.6
125.02341	5.2
127.03911	6.0
127.04799	0.5
131.04887	0.4
135.04350	0.3
137.02293	0.4
143.03391	10.1
145.56972	0.3
147.04451	0.7
147.11716	0.3
151.03871	0.4
153.01820	100.0
153.02789	3.7
154.02147	1.2
159.04401	0.7
163.03857	0.4
170.02066	0.4
171.02907	4.0
177.05373	0.3
179.03387	0.6
181.01323	0.6
183.02934	0.4
191.03362	0.7
193.05003	0.6
205.04964	0.9
207.02835	0.7
222.06702	0.5
233.04382	1.2
237.09055	0.5
241.40967	0.3
250.06129	0.4
251.07071	0.5
265.08652	1.4
269.07922	0.7
297.06009	27.9
297.10770	1.5
298.06351	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2585
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
55.05506	2.5
56.05025	0.4
57.07061	0.3
58.06603	0.6
67.05504	2.2
68.05020	1.3
69.07068	2.8
70.06588	2.8
70.66908	1.1
71.04990	0.6
71.39508	0.2
79.05479	1.9
81.05811	0.4
81.07055	3.4
82.06580	2.0
83.08603	0.7
84.08148	0.7
85.06541	0.4
91.05486	1.0
93.07043	2.4
94.06582	1.9
95.04955	0.4
95.07345	0.4
95.08604	2.2
96.08136	6.1
105.07054	0.3
107.07344	0.4
107.08582	1.3
108.08105	1.3
109.06527	0.3
109.08871	0.7
109.10139	0.6
110.09692	2.2
122.09674	0.5
123.10398	0.7
124.11243	0.4
133.10153	0.3
134.09537	0.4
150.12732	0.4
150.23436	0.3
165.01729	0.3
194.10948	0.3
197.90639	0.3
210.18494	0.4
238.21664	0.8
250.21742	0.7
252.23251	0.4
260.23856	0.5
276.23196	2.9
278.24777	32.8
279.25119	0.9
296.25836	100.0
297.26236	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	297.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	0.3
51.02387	0.7
51.82446	0.3
53.03949	6.1
55.01861	0.6
56.05816	0.3
56.96566	1.3
62.62516	0.3
67.05509	0.5
69.03426	9.7
71.04996	1.7
71.06033	0.8
72.08157	0.6
74.47692	0.4
78.10738	0.3
79.01855	5.7
79.05494	0.6
81.03414	51.9
81.07066	0.7
82.03740	0.4
83.08623	0.3
84.96047	0.4
85.02918	1.1
91.05437	0.6
93.07059	0.6
97.02891	5.9
98.49805	0.3
98.97581	0.7
99.04446	2.8
105.07003	0.8
107.01341	2.2
107.04966	0.4
109.02874	19.3
115.05522	0.4
116.98605	0.8
119.04951	0.4
119.08585	0.8
123.04455	0.4
123.08064	0.3
125.02345	5.0
127.03918	5.6
131.04927	0.4
133.06590	0.4
134.99628	0.7
143.03386	9.0
145.10135	0.4
147.04410	0.8
149.05922	0.5
152.35107	0.4
153.01823	100.0
153.02766	4.4
154.02141	0.9
159.04410	0.5
161.09695	0.6
163.19817	0.4
165.01846	0.4
171.02876	3.5
177.01820	1.6
177.05563	0.5
179.03481	0.5
183.02898	0.4
193.04938	0.4
205.04962	0.8
205.12274	0.6
207.02945	0.6
219.12105	1.0
222.06863	0.7
233.04355	0.5
237.09192	0.6
259.01227	0.5
265.08591	1.4
279.09064	0.7
297.06076	28.9
297.09457	5.2
297.15179	0.8
298.06357	0.6
301.02393	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.6
56.04999	0.9
56.96559	1.2
67.05497	1.4
69.03429	1.4
69.26853	1.8
69.27265	7.0
70.06583	3.3
71.04990	11.8
72.08155	100.0
73.02901	2.4
79.05488	2.4
81.03413	4.0
81.07074	1.3
90.09194	10.5
91.05469	4.9
93.07025	2.4
95.04942	1.0
95.08609	2.8
99.04451	32.3
105.07031	48.8
107.04965	1.0
107.08565	3.5
109.02891	1.6
109.10130	1.1
116.98575	0.8
117.07001	1.1
119.08571	2.8
121.06511	4.2
121.10210	1.0
123.08076	4.3
123.11736	1.0
128.06264	1.3
131.08615	1.7
133.06496	5.1
133.10127	32.6
135.11742	1.3
137.05968	1.0
143.03415	0.8
143.08530	2.3
145.10138	1.3
146.07248	2.4
151.03848	2.2
151.07530	2.4
151.11208	1.0
153.01833	7.9
161.09621	57.4
163.07452	1.0
163.11165	9.2
167.07094	1.4
177.09091	1.6
179.10678	24.3
189.09125	5.9
207.10123	4.0
251.12827	7.8
296.15121	1.7
296.18570	20.8
296.21826	0.9
297.06842	1.2
297.07672	1.2
297.11081	1.8
297.49512	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
56.05027	0.9
59.87409	0.6
65.03937	0.6
66.49801	0.5
67.05476	0.9
69.03426	3.2
70.05064	2.8
70.06582	3.4
72.08151	70.7
78.21010	0.6
81.03421	3.8
85.02884	1.2
86.03252	0.7
90.08679	1.0
90.09190	12.3
91.05476	22.4
95.04942	0.5
95.53300	0.6
97.02853	1.1
98.21478	0.7
107.01326	0.6
109.02889	1.5
115.03907	0.7
116.04263	1.0
119.04936	33.2
123.04421	0.7
132.02083	1.2
133.04973	1.1
134.05286	0.7
135.04422	0.6
136.05241	0.6
137.05920	0.7
143.03488	0.7
145.02785	0.8
147.04402	29.6
149.02327	1.0
153.01830	8.7
157.03940	2.9
162.10234	2.2
164.04575	0.8
175.03897	50.6
176.04353	0.8
179.06996	3.0
200.40138	0.6
207.06519	100.0
208.06729	1.1
223.07124	1.4
251.09145	14.2
251.46039	0.8
296.14890	9.5
297.06073	2.6
300.31119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03939	6.6
53.33958	4.5
55.01860	8.0
55.05516	33.9
57.07083	7.1
66.55866	3.7
67.05503	55.6
69.07054	21.9
70.66003	10.1
71.04998	5.8
71.08638	36.8
74.79484	4.1
79.05500	47.0
81.03396	8.6
81.07054	57.9
83.04973	9.5
83.08603	20.1
91.05474	35.1
93.07049	77.9
95.04961	13.2
95.08610	43.9
97.06520	14.2
97.10165	10.6
99.08091	28.9
105.07020	14.7
107.04939	7.3
107.08582	47.5
109.06583	6.0
109.10164	25.0
113.09631	5.7
117.07052	4.9
119.08584	16.8
119.48807	4.7
121.10147	38.3
123.11689	8.5
125.09622	7.4
131.08597	10.4
133.10117	12.9
135.11694	46.5
147.11722	7.4
149.13260	18.0
151.11176	12.0
161.13280	9.1
179.14304	100.0
189.11317	5.8
197.15366	5.0
213.16396	5.8
232.75560	5.4
235.16847	6.4
277.21600	42.0
279.23254	5.2
313.74982	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	295.102
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
53.03934	1.9
53.65842	1.1
55.01874	2.2
55.25678	1.1
57.03436	26.6
59.04993	4.7
61.02917	4.1
67.05510	1.7
69.03424	100.0
71.01357	2.8
71.05006	2.1
71.59543	1.9
72.08164	2.8
73.02911	16.0
75.04484	4.7
79.02441	1.3
81.03408	12.0
81.07048	1.6
83.01348	1.7
83.05000	2.0
85.02899	57.8
87.04463	46.5
88.03954	1.4
91.05483	4.5
93.07063	1.8
95.04996	1.8
95.08627	1.3
97.02886	60.4
99.04442	12.5
102.96866	1.8
103.03923	9.2
107.04903	1.3
109.02860	3.0
111.04411	1.9
115.03924	58.9
117.05486	2.5
119.04900	2.8
120.97930	1.3
123.04428	5.1
124.04731	1.3
125.05000	1.4
127.03909	12.5
133.04961	54.3
137.06062	1.5
139.03839	3.0
140.04225	1.3
141.04391	2.8
142.04642	1.7
145.04945	22.3
146.06004	4.9
147.04427	3.7
151.03871	1.5
152.07010	1.5
153.01816	1.9
161.04446	2.7
163.03876	1.6
165.05501	2.4
169.04982	5.2
177.05487	1.7
187.05864	1.5
193.04961	1.6
207.06517	2.5
211.06105	2.0
217.06917	1.9
229.07115	2.0
241.07101	3.3
242.10777	1.3
259.08047	1.9
277.09183	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	295.0214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	100.0
57.03429	1.0
61.02919	1.9
66.62606	0.6
67.03687	0.7
69.03442	1.7
70.34437	2.6
70.98105	0.9
71.95266	1.0
72.96056	1.6
73.02921	1.3
74.97603	16.7
74.98021	0.8
80.50070	0.7
81.03398	1.7
84.08146	0.9
84.74329	0.7
84.96043	2.1
85.02906	4.1
86.97589	2.8
91.05470	0.9
92.98630	3.9
97.02876	2.3
98.97586	2.7
103.02457	0.6
107.04928	3.0
114.97038	0.9
116.98602	1.6
117.44810	0.7
119.01868	1.6
120.08115	1.3
127.03876	1.2
128.98602	0.8
131.01869	0.8
132.98111	4.5
132.98975	0.7
134.99571	0.9
146.99602	0.8
147.04376	0.7
150.99135	32.8
161.02968	1.0
163.00647	1.8
165.02229	1.9
169.00201	24.2
169.01614	1.1
170.99562	1.2
174.21065	0.7
175.00658	2.4
175.31514	0.7
179.00220	0.7
181.01733	4.5
183.03297	6.6
185.01204	2.6
187.01164	1.0
187.02783	1.9
193.00165	1.3
193.01721	36.3
194.99698	1.1
197.01151	1.2
198.04854	0.7
199.02811	2.6
201.04347	5.9
203.02319	4.5
204.98059	1.2
211.02765	88.9
212.03288	0.9
213.00729	2.0
213.03238	1.0
215.00301	1.0
215.02248	0.7
222.99077	2.6
227.02319	2.6
229.03824	7.3
234.04326	3.1
237.00682	2.2
241.00159	0.9
245.03279	6.5
251.02267	1.5
255.01744	19.1
267.01779	1.8
269.03229	2.5
273.02798	8.5
278.03497	0.8
285.02817	1.5
313.02225	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.5
55.01876	0.4
56.96564	100.0
57.03456	0.9
58.06597	0.6
61.02929	1.8
67.05480	0.3
68.05037	0.4
69.03445	1.9
69.98984	1.1
69.99416	1.2
70.06583	0.5
70.98128	0.8
71.04996	0.5
71.09126	0.3
71.95262	1.7
72.96049	1.0
73.02913	1.1
74.97604	16.7
81.03410	0.9
83.06134	0.4
84.96036	2.5
85.02901	3.7
86.09729	0.5
86.97594	2.0
88.99169	0.8
91.05481	0.8
92.98648	3.5
97.02879	2.4
97.99180	0.6
98.20759	0.4
98.97040	0.5
98.97577	2.3
99.04472	0.7
107.04962	1.8
110.07166	1.6
110.97599	0.4
110.99722	0.4
114.97067	0.6
116.98611	1.7
119.01866	1.5
123.04421	0.4
127.03938	1.0
128.98590	0.8
132.98064	4.2
134.99677	1.4
136.06247	0.5
136.07607	0.5
137.03027	0.5
145.03523	0.4
146.99664	1.2
147.04373	0.6
148.99161	0.3
150.99141	34.3
153.01830	0.8
154.08633	2.2
158.99669	0.5
161.01418	0.4
161.02844	0.8
163.00626	0.7
165.00826	0.7
165.02272	1.8
168.00879	0.7
169.00211	27.1
169.01570	1.2
170.99655	0.8
172.00357	0.6
173.26852	0.4
174.00786	1.2
175.00714	1.4
175.04483	0.4
177.00778	0.6
177.04132	0.4
179.00172	0.6
180.07756	0.4
181.01755	3.8
183.01768	0.8
183.03293	6.6
184.04941	0.8
184.55077	1.3
185.01215	2.0
185.05661	1.1
187.01227	0.8
187.02789	2.1
189.00688	0.9
191.00197	0.4
191.54057	0.6
192.01817	0.5
193.01727	39.4
194.02089	0.7
194.99649	1.1
197.01241	1.8
199.02783	1.8
201.01109	0.4
201.04349	8.6
201.06093	0.7
202.02286	0.6
203.02252	3.4
204.98059	0.5
205.03853	0.6
205.09723	0.8
209.01378	0.6
211.02776	93.8
212.03136	1.5
213.00691	1.9
213.03110	0.7
215.02342	0.6
217.00085	0.5
219.05414	1.3
221.03320	0.5
222.99232	3.3
223.04834	0.8
225.04378	0.6
227.02171	1.9
229.03842	7.1
231.01695	0.8
234.04344	3.3
237.00446	1.8
237.02672	1.1
241.00182	0.7
245.01024	0.6
245.03346	6.4
251.02333	1.7
255.01759	20.6
263.04449	0.4
265.04550	0.4
267.01862	0.6
269.03275	3.3
272.99985	0.6
273.02811	9.2
277.07681	0.9
277.11783	1.0
278.03409	0.7
285.02771	1.0
292.04840	0.4
295.08710	1.8
295.12637	2.3
313.02197	1.9
313.06519	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
51.99304	1.4
53.03935	1.9
55.05507	23.2
56.87932	1.2
56.96543	2.3
57.07076	15.5
59.04996	1.5
67.05501	32.1
69.03405	2.0
69.07064	46.7
71.08620	5.1
79.05485	14.0
81.03424	1.4
81.07053	88.7
81.91476	1.4
83.04967	1.6
83.08616	27.1
85.06532	10.0
85.10177	3.0
91.05489	3.7
93.07036	17.5
95.04957	2.0
95.08601	100.0
97.06535	2.9
97.10168	13.2
98.97559	6.3
99.08092	9.3
103.05451	3.3
105.07047	2.4
107.08601	21.2
109.06462	2.1
109.10146	50.5
111.08031	7.2
111.11707	8.4
113.09616	1.5
116.98611	6.0
121.10144	9.2
122.05983	9.5
123.06821	8.0
123.11708	32.6
125.13286	2.8
131.04929	6.6
134.99652	3.7
135.11707	7.2
136.07599	4.2
137.08328	1.3
137.13235	39.4
148.17410	1.3
149.13246	15.9
150.09125	2.9
151.14798	4.8
153.12733	1.6
163.03764	1.4
163.14819	5.5
165.16402	3.6
167.14352	6.9
177.16347	2.5
179.18028	1.8
191.18129	1.5
202.42789	1.2
205.19479	2.3
229.75977	1.7
275.27271	4.7
276.23224	30.8
288.91165	1.3
293.17303	10.4
293.28360	34.6
294.20941	2.3
294.24258	33.4
299.57397	1.7
311.04309	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	294.2062
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
54.47298	0.2
56.96547	0.4
57.07058	0.8
58.02951	0.4
66.04705	0.3
67.05482	0.8
69.07084	0.3
71.08607	0.4
79.05479	0.9
80.34776	0.2
81.07045	2.5
88.24341	0.3
91.05500	1.2
94.04175	2.8
104.63612	0.2
107.04924	0.4
109.06492	0.7
109.10175	0.3
115.07014	0.3
122.03639	8.5
123.04009	0.3
123.11681	1.2
125.88041	0.2
127.69036	0.2
137.05968	100.0
138.06296	1.6
157.02390	0.3
158.15396	1.0
170.15401	1.6
178.89641	0.3
192.10831	0.3
207.77583	0.3
210.11931	0.3
238.11455	0.3
294.20831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2426
Annotation	Lanyuamide I
Peak:m/z	Relative Intensity
53.10215	0.3
55.05489	0.9
56.27224	0.3
56.96533	0.5
57.07049	1.0
61.68223	0.3
67.05482	1.0
68.05810	0.4
69.03400	0.4
70.85857	0.7
71.86249	0.3
79.05470	0.5
81.07041	2.1
82.07339	0.7
83.08601	0.3
86.97574	0.3
91.21717	0.3
93.07009	0.6
94.06538	1.4
95.04942	0.5
95.08581	1.4
96.08910	0.7
97.02833	0.4
102.26357	0.3
107.08556	0.6
109.10119	0.9
112.63557	0.3
117.19755	0.3
122.06022	29.3
123.06799	33.7
124.07573	0.8
136.07564	16.5
137.08348	2.4
140.07031	1.8
143.03349	0.5
144.23393	0.3
148.07549	1.3
149.08322	0.9
150.09117	5.8
153.01807	1.8
162.09093	0.8
163.09877	0.4
164.10716	1.7
178.12242	0.9
192.13792	1.1
206.15315	0.7
220.16898	0.3
233.64264	0.4
276.23203	77.8
277.23434	0.5
294.17502	2.2
294.24252	100.0
295.24588	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.05506	20.4
56.96556	0.8
57.03431	1.0
57.06816	1.2
57.07072	14.5
65.03916	1.1
67.05499	37.7
69.07064	44.1
69.39150	7.8
69.99117	0.9
71.04985	1.5
71.08620	5.8
75.00388	0.7
79.05479	11.2
79.20287	0.9
81.03371	0.8
81.07052	84.6
83.08612	26.1
85.06541	13.9
85.10161	2.8
91.05457	3.0
93.07034	13.2
95.04955	1.6
95.08600	100.0
97.06541	1.5
97.10170	14.6
97.94168	0.7
99.08092	9.8
103.05451	1.9
105.07028	1.8
107.08596	13.0
109.10149	61.1
111.08056	5.2
111.11705	10.8
113.09638	2.3
116.20701	0.8
119.08537	1.1
121.10121	9.9
123.11699	32.5
125.09601	2.7
125.13295	4.7
131.04932	5.2
133.10152	1.0
135.11678	5.8
137.13243	26.8
139.11163	1.7
149.13228	11.6
151.14809	4.7
153.12735	0.8
163.14772	4.8
165.16388	3.2
167.14325	1.2
169.15880	1.1
177.16383	1.8
178.05052	1.3
179.17888	1.6
193.19501	1.5
193.30141	0.9
205.19498	1.1
209.18864	0.8
211.20590	0.9
223.20592	1.4
241.00992	0.9
247.24113	1.2
249.25885	1.4
275.27295	2.9
293.28375	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2471
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.01857	2.1
55.05513	11.1
57.07061	3.0
65.03941	3.7
67.05499	100.0
69.07059	13.4
69.27045	8.2
69.27477	7.9
71.04984	2.0
73.24409	1.6
76.30035	1.3
79.05480	15.1
81.07050	92.8
82.27854	1.4
83.04955	2.5
83.08602	6.4
85.06521	1.7
88.32029	1.3
91.05459	7.4
93.07038	17.5
95.04961	3.1
95.08598	76.3
97.06527	3.2
97.10178	2.6
103.16869	1.2
105.07047	7.0
105.07623	1.5
107.08582	11.7
109.06503	1.6
109.09443	2.5
109.10141	27.7
116.86031	1.3
117.06988	4.8
119.08545	6.2
121.06460	1.9
121.10128	11.6
123.08084	3.5
123.11704	15.1
123.98476	1.5
131.08543	7.3
133.10100	4.8
135.08064	1.7
135.11670	6.7
137.09587	4.0
137.13260	10.0
145.10095	4.5
147.11678	2.6
149.09581	5.6
149.13217	4.6
151.11101	1.6
151.14746	4.6
159.11659	4.9
161.13213	4.0
163.11201	4.6
163.14758	4.6
165.12805	2.0
173.13264	7.7
177.12775	2.1
177.16399	2.9
187.14833	3.1
191.14317	2.8
195.13673	1.8
209.15279	1.7
219.21201	1.5
223.16815	1.5
237.11395	2.9
243.21107	4.3
247.20341	1.5
257.18906	2.1
261.22214	7.4
274.72250	1.4
275.19989	9.2
278.10095	1.6
293.20956	3.9
293.24667	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	293.2836
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
50.06430	1.6
50.74545	2.0
53.03947	2.0
55.01870	2.1
55.05507	53.2
56.96562	11.4
57.03427	4.4
57.07076	21.6
65.03947	2.7
67.05500	39.2
69.03429	2.9
69.07063	90.9
69.45344	7.4
69.45777	9.3
71.04990	16.1
71.08616	14.0
73.06561	2.9
79.05474	13.6
81.03436	2.9
81.07050	93.3
83.08610	44.4
85.02885	3.6
85.06528	6.4
85.10187	5.1
91.05466	6.6
93.07047	17.8
95.04939	5.0
95.08600	100.0
97.02914	2.6
97.10171	39.4
98.97571	8.8
99.08102	11.0
103.05454	4.9
105.07027	6.1
107.08570	23.6
109.06527	2.4
109.10146	76.1
111.08076	8.2
111.11719	17.7
116.98586	9.5
119.08582	3.4
121.06530	2.2
121.10140	16.2
123.11700	37.2
125.09673	2.5
125.13268	4.9
127.11179	5.4
131.00186	3.0
131.04935	15.9
131.08583	3.1
133.10072	2.8
134.99634	5.4
135.11662	12.0
137.13255	27.3
141.12708	3.8
147.04388	2.6
149.01192	5.2
149.09612	4.2
149.13271	13.9
151.14830	16.5
153.12727	6.7
156.03648	3.3
163.11243	2.5
163.14799	8.0
165.16370	7.8
167.02225	5.3
167.14319	3.2
177.16368	6.1
179.17923	3.4
184.09285	2.2
191.17981	2.7
193.09927	2.1
205.19579	4.6
207.21072	5.3
211.20523	3.4
212.10654	13.3
212.60780	3.2
212.79254	1.9
219.21030	5.5
223.20561	2.5
224.08144	2.7
249.76180	1.9
275.20013	2.8
275.27383	17.3
293.13181	9.8
293.21149	4.5
293.28314	55.8
293.63394	1.8
311.06604	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	293.211
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
52.12042	1.4
53.03939	1.4
55.05508	15.9
56.96545	2.9
57.03430	1.7
57.07055	4.3
59.04983	3.8
62.44894	1.3
67.05507	14.7
69.03429	10.1
69.07069	10.7
71.04982	2.6
71.60460	1.8
79.05499	6.3
81.07048	21.1
83.04981	16.5
83.08636	6.5
85.02915	2.3
85.06535	11.8
91.05478	7.5
93.07042	20.6
95.04981	10.1
95.08610	19.0
97.05965	1.2
97.06519	6.7
97.10161	5.8
99.08084	3.9
101.06006	1.8
103.05470	3.1
103.65458	1.3
105.07033	8.1
107.08585	18.8
109.06492	5.3
109.10161	13.6
111.08077	7.0
113.05990	4.2
113.09694	2.2
115.05500	1.5
116.98629	2.0
119.04919	1.8
119.08574	14.2
121.06479	7.3
121.09296	2.7
121.10136	33.4
121.11025	1.9
123.04423	24.6
123.08054	4.6
123.11714	8.9
125.05989	2.3
125.09629	23.2
127.07543	3.1
131.04910	8.9
131.08569	4.8
133.10126	8.5
135.08051	10.0
135.11719	6.7
137.05992	4.0
137.09595	3.8
137.13223	2.2
139.11168	8.6
143.08617	1.4
145.10088	6.8
147.04398	4.7
147.07967	2.5
147.11700	4.7
149.06029	2.0
149.09605	10.8
149.13287	5.1
151.11165	3.3
153.09070	11.5
157.10106	1.9
159.08093	1.5
159.11638	7.3
161.09590	3.1
161.13248	2.8
163.11206	11.4
163.14883	3.5
165.09044	2.5
167.10709	2.2
170.96426	1.3
171.11678	2.0
173.09763	1.9
173.13303	12.3
175.11209	2.9
175.14780	2.8
177.00597	1.3
179.10649	11.9
181.12166	6.4
185.13339	2.0
187.11197	2.7
187.14804	8.8
189.12773	2.7
191.14247	8.4
199.14772	1.7
201.12714	2.8
205.12135	1.7
205.15869	2.6
209.15382	3.8
215.17970	2.8
217.15758	2.5
219.13806	3.8
229.19579	4.0
233.09393	1.6
233.15385	4.7
247.20531	2.7
249.18593	1.7
257.18976	7.2
261.09116	2.0
275.20032	47.0
293.21100	100.0
293.28110	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	293.2107
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03932	6.7
53.20488	3.7
53.67513	3.1
55.01864	33.2
55.05506	58.9
56.96553	4.2
57.03415	5.6
57.07079	19.3
60.25019	3.8
62.82772	3.4
63.62557	3.4
67.05500	49.7
69.07064	25.8
72.08148	10.4
74.00156	3.4
79.05489	68.0
81.03422	8.1
81.07046	44.5
83.04971	18.0
83.08625	19.0
91.05467	31.9
93.07038	44.4
95.04955	16.5
95.08579	19.9
97.06519	41.4
97.10146	28.6
98.20769	8.3
105.07019	40.0
107.04940	49.2
107.08584	59.8
109.06535	9.6
109.10150	17.7
111.04430	11.2
111.08079	7.4
117.07015	11.4
119.08562	26.9
120.11127	4.1
121.10109	22.1
123.08083	4.5
123.11716	6.9
125.05974	4.3
125.09601	28.1
131.08568	15.2
133.10118	17.1
135.08046	10.9
135.11693	9.0
139.11197	5.2
143.42757	3.4
145.10129	14.9
147.11679	18.1
149.09596	69.8
151.11177	5.1
153.05476	9.8
153.09145	6.3
159.11673	7.4
161.13255	6.5
163.03871	5.3
163.11130	6.8
169.12343	4.4
173.11710	4.1
173.13213	4.0
177.12820	4.4
179.14287	4.3
181.04984	13.5
189.11201	23.0
191.10655	11.8
195.10204	4.9
197.13132	4.2
209.11687	27.9
219.10034	4.9
229.19473	8.3
229.32008	4.2
237.11212	45.5
247.20566	6.5
257.18991	21.9
275.20020	100.0
292.64578	5.3
293.17645	6.0
293.21109	18.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03938	24.6
53.79536	5.0
55.01876	30.7
55.05496	41.8
56.96558	9.3
57.03432	5.4
57.07065	18.8
59.54090	4.6
59.58964	5.8
61.08869	4.8
62.35834	5.4
67.05499	69.2
69.03410	7.2
69.07069	50.6
71.04057	7.1
71.04411	13.4
71.04983	6.6
79.05495	57.1
81.03416	45.7
81.07054	100.0
83.04981	14.6
83.08595	24.5
91.05477	65.5
93.07035	53.4
95.01311	9.9
95.04961	27.3
95.08617	49.6
97.06522	39.8
101.46928	5.2
105.07024	86.1
107.04322	8.4
107.04926	41.8
107.08592	22.3
109.06484	8.4
109.10150	19.3
116.98625	7.9
117.07018	22.3
118.62534	5.4
119.08572	41.4
121.06535	8.1
121.10123	17.6
123.08080	15.1
131.08571	30.0
133.10123	55.8
135.11728	14.9
137.09561	6.4
145.10144	19.4
145.31706	5.5
147.11687	15.8
149.09637	20.6
149.13246	6.5
151.11182	9.9
159.11717	18.2
161.13277	7.1
163.11139	12.2
165.09099	5.9
169.10201	7.1
173.13246	7.7
179.14323	23.3
181.05011	12.2
187.11183	13.3
191.10643	7.3
209.11757	12.2
237.11203	20.8
257.19083	11.8
275.20108	72.5
276.16833	6.3
283.88388	6.7
293.21106	48.6
301.54477	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	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03934	4.2
55.01868	10.1
55.05258	2.8
55.05507	34.1
56.96559	5.2
57.03395	2.3
57.07067	4.2
67.05502	33.4
69.03417	2.5
69.07066	18.2
69.30099	21.6
71.04999	4.3
71.08625	2.3
73.06543	2.2
78.36790	1.8
79.05491	48.4
81.03423	3.3
81.07056	33.2
83.04977	6.5
83.08604	19.2
88.07616	3.1
89.07979	3.6
91.05471	30.4
93.07046	23.0
95.04964	7.6
95.08607	25.2
97.06516	12.0
97.10171	25.9
101.02067	1.8
105.07031	32.8
106.07374	1.8
107.04964	8.4
107.08591	100.0
109.06522	7.6
109.10148	13.3
111.08046	4.4
111.67615	2.2
116.98594	1.9
117.07034	5.3
119.08586	17.5
121.06499	4.9
121.10155	11.7
121.21033	1.8
123.08028	4.0
123.11686	5.4
125.09629	21.9
129.07013	2.9
129.39954	2.0
131.08560	10.6
133.10123	17.8
135.08034	4.4
135.11713	5.5
137.09575	3.4
137.13220	4.3
145.10135	14.0
147.11679	13.0
149.01204	4.0
149.09615	14.2
149.13271	3.7
151.11215	3.2
159.11656	9.5
161.01251	2.5
161.13264	3.7
163.11189	3.1
165.09213	2.3
167.02299	2.1
169.10172	3.1
171.11600	3.3
172.02905	1.7
173.13206	4.0
189.11221	14.4
197.13255	2.0
229.19598	2.0
239.17958	4.9
243.25104	3.2
245.25778	4.6
247.20554	2.3
257.18958	7.2
264.35172	1.9
275.20053	73.9
285.09863	1.9
293.13336	1.8
293.21002	19.7
293.27805	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01867	3.9
55.05507	11.8
57.03436	1.5
57.07067	3.8
63.80257	1.4
63.82660	1.2
67.05502	20.4
69.07064	17.6
69.37288	1.1
71.05006	1.7
76.26115	1.2
79.05492	15.2
81.03440	1.5
81.07051	26.0
83.04989	6.8
83.08609	5.0
83.56387	1.3
85.06534	1.4
91.05474	13.5
93.07033	21.3
95.04972	6.5
95.08594	16.8
96.37563	1.5
97.06532	4.1
97.10169	3.3
105.07025	19.9
107.04955	5.4
107.08572	15.6
109.06507	9.9
109.10143	8.9
111.08056	1.4
117.06998	5.3
119.08585	12.8
121.06494	6.6
121.10134	8.3
123.08061	4.9
123.11704	1.6
129.07065	1.4
131.08568	10.0
133.06453	1.4
133.10117	15.7
135.08052	3.6
135.11679	4.1
137.09654	2.2
143.08496	1.9
145.06535	1.8
145.10124	9.8
147.08041	1.7
147.11690	11.0
147.65381	1.5
149.09613	4.4
149.13243	2.4
151.11201	5.6
155.08615	1.2
157.10049	2.7
159.08014	1.5
159.11693	5.4
161.09639	1.7
161.13184	2.6
163.11159	4.0
171.11652	2.1
173.09564	1.5
173.13208	4.0
175.11215	2.6
177.12732	1.5
183.11723	1.7
187.11093	2.4
191.14351	1.8
201.12750	2.1
205.19458	1.5
206.11804	1.4
207.13774	1.8
211.14932	1.5
219.13766	4.3
225.14859	1.8
229.19669	1.9
231.17365	1.3
237.14812	1.7
239.17986	4.8
247.20610	4.3
257.18961	13.9
275.20050	100.0
276.20456	2.1
293.21069	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.56470	1.0
53.03944	4.8
55.01867	9.3
55.05511	17.1
56.15499	1.2
56.96561	1.4
57.03438	2.7
57.07075	2.0
65.03948	2.5
67.05506	35.6
69.07067	18.3
69.27942	3.0
69.28342	12.8
71.05000	2.9
79.05493	36.4
81.03419	8.8
81.07056	100.0
83.04984	5.6
83.08622	13.7
85.06541	2.8
91.05478	24.7
91.06015	2.3
93.07047	23.1
95.04971	14.1
95.08608	19.8
97.06541	6.6
97.10165	3.5
105.04468	1.5
105.07030	24.1
107.04950	9.7
107.08591	17.0
109.06522	38.9
109.10152	8.2
111.07418	1.2
111.08064	5.8
117.07010	8.9
119.08576	16.6
121.06518	4.9
121.10145	12.3
123.08057	10.1
123.11680	3.7
124.53875	1.3
125.09621	3.5
129.07010	3.3
131.08563	9.8
133.06514	1.9
133.10143	15.6
135.08101	3.3
135.11720	6.9
136.26031	1.0
137.09608	5.6
140.60783	1.1
143.08571	3.3
145.06485	1.7
145.10138	9.0
147.08052	1.9
147.11703	13.4
149.09624	10.2
149.13286	5.2
151.11169	4.5
155.08569	1.9
157.10149	4.3
157.67737	1.3
159.11688	7.5
161.09668	1.9
161.13228	3.5
163.11195	10.2
163.14865	2.1
165.12766	4.6
171.11707	2.5
173.09628	3.5
173.13283	4.8
175.11188	3.8
177.12737	2.9
187.11131	1.8
187.14796	1.7
193.12265	3.3
193.24107	1.2
207.13776	1.3
219.13823	1.5
223.13245	2.2
229.19551	2.8
239.17923	3.0
247.20621	5.7
257.18958	6.8
275.20059	58.2
293.21100	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.85767	2.8
53.03941	3.2
55.01855	9.6
55.05517	22.8
56.96552	5.2
57.03430	5.7
57.07079	15.2
67.05161	3.9
67.05501	52.1
69.03432	2.4
69.06721	4.4
69.07069	66.4
71.04992	6.1
71.12021	2.3
71.58983	3.1
79.05489	43.9
81.03394	7.6
81.07055	100.0
83.04970	7.7
83.08606	14.0
85.06539	4.6
91.05479	33.2
93.07040	35.5
95.04972	23.4
95.08026	3.7
95.08604	31.5
97.06522	7.1
97.10177	4.6
98.16911	2.4
98.97568	2.8
101.06081	3.0
105.07026	34.3
107.04948	10.1
107.08599	25.0
109.06522	25.0
109.10147	27.9
111.08083	8.6
115.07557	13.3
117.07016	10.1
119.08588	35.6
121.06485	3.4
121.10148	14.1
123.08037	9.2
123.11699	10.8
126.99467	3.3
129.01031	6.8
131.08537	12.7
133.10124	27.4
134.99701	3.9
135.08028	7.0
135.11679	8.9
137.09612	13.6
140.17236	2.7
141.00998	9.2
145.10115	11.2
147.08002	3.5
147.11685	13.3
149.09596	11.8
149.13281	4.6
151.11185	7.8
155.02563	5.2
159.11697	5.5
161.09570	5.3
163.11186	9.2
165.09109	2.6
165.12769	4.4
171.11635	4.1
173.13272	5.4
175.11230	3.4
187.11192	2.6
197.07289	30.4
229.19383	3.5
237.11307	6.4
239.17819	3.4
247.20572	7.3
257.18973	7.5
271.29184	2.6
275.20056	56.0
293.21130	39.9
293.28287	3.6
294.10068	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	293.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05016	0.2
67.05473	0.2
69.07065	0.2
69.29227	1.7
70.58968	0.2
79.05472	0.2
81.07056	0.2
84.01892	0.1
91.05480	1.0
93.07044	0.9
95.08587	0.2
98.97596	0.2
103.05470	0.3
105.07024	2.7
107.08639	0.2
109.10153	0.2
115.05422	0.3
117.07008	0.3
118.06531	0.6
118.09902	0.2
119.07316	8.6
119.08582	0.3
120.07677	0.2
121.09007	0.1
129.07022	0.3
131.04965	0.3
131.08560	0.4
133.10127	0.2
134.09644	100.0
135.09988	2.0
141.06940	0.3
145.06430	0.2
147.04321	0.2
157.06548	0.2
158.07298	0.3
159.08046	0.3
167.03371	0.2
169.06363	0.2
174.06747	0.7
175.07513	0.5
189.09047	0.9
191.10605	0.1
201.09093	0.2
208.13707	0.2
208.39436	0.2
219.10085	0.3
293.13828	1.9
293.18594	6.5
294.18967	0.2
311.06299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03932	4.3
53.81902	1.6
55.01863	6.6
55.05508	22.8
56.96566	1.7
57.03446	1.8
57.07077	2.9
59.02316	1.5
65.03942	3.1
67.05496	37.0
69.03408	1.8
69.07062	24.7
69.93510	9.7
71.04982	5.1
79.05484	40.3
81.03425	8.2
81.07051	100.0
83.04966	5.5
83.08604	13.0
85.06526	4.5
91.04947	3.1
91.05470	30.2
93.07033	26.1
95.04969	17.1
95.08598	27.4
97.06519	5.7
97.10138	3.2
98.20764	3.2
99.08125	2.6
105.07027	34.2
107.04940	9.4
107.08585	21.2
109.06510	24.2
109.10149	17.8
111.08088	8.4
114.10305	1.7
117.07015	8.3
119.08572	29.1
121.06483	5.6
121.10124	15.9
123.08060	14.3
123.11703	5.2
125.09605	3.1
129.07010	2.3
131.08559	12.3
133.06482	2.3
133.10139	24.6
135.08044	6.9
135.11667	6.1
137.05968	12.3
137.09605	10.8
137.13261	2.0
145.10115	10.6
147.08072	3.0
147.11685	14.7
149.09599	12.2
149.13248	3.5
151.11172	6.4
155.08537	2.2
157.10078	2.7
159.11685	8.7
161.13280	4.2
162.77980	1.8
163.11179	11.4
165.12796	4.7
171.11697	2.2
173.13228	4.5
177.12750	2.5
183.11617	2.9
189.12756	1.7
207.13852	2.4
239.18025	3.3
247.20609	6.6
257.18927	8.8
265.21399	2.1
275.20032	62.3
293.21082	33.8
294.21497	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	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84386	3.1
56.96548	7.6
69.96003	16.4
98.97578	8.9
104.47690	3.1
107.65847	3.4
116.98623	6.7
120.60301	3.1
120.80791	3.2
121.74503	3.3
143.00160	7.8
147.94542	3.2
198.56801	3.2
213.83275	2.9
269.05487	7.4
293.06314	100.0
311.06488	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	293.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02389	0.4
53.03947	2.0
55.01888	0.4
55.05498	1.5
56.96553	1.2
57.03420	1.3
63.89154	0.4
67.05497	1.5
69.03130	0.5
69.03433	5.4
69.07051	1.9
69.31701	0.4
71.04980	0.9
71.59444	0.7
79.05482	1.1
79.28850	0.4
81.02972	0.8
81.03412	9.2
81.07056	3.3
83.04969	0.6
83.08582	0.6
85.02897	4.6
85.06546	0.4
88.93823	0.4
91.05484	1.1
93.07039	2.8
95.04958	2.0
95.08575	3.0
97.02864	1.6
97.06527	1.9
97.10188	0.6
98.97588	1.1
99.04446	1.1
100.11241	0.8
101.06001	1.7
103.05465	36.1
104.89232	0.4
105.07032	1.9
107.04971	0.8
107.08591	1.8
109.02876	4.3
109.06486	1.0
109.10161	2.0
111.08070	0.5
114.53003	0.4
119.04912	0.7
119.08564	1.4
121.06447	0.6
121.10138	2.0
123.04394	0.5
123.11688	1.0
127.03924	1.5
131.04922	100.0
132.05223	1.2
133.10107	1.0
134.09659	0.4
134.99641	0.7
135.08034	0.8
135.11665	0.9
137.09573	1.0
137.13226	0.6
147.04419	2.4
147.11650	0.9
149.01228	0.5
149.05984	2.6
149.09612	0.9
149.13245	0.8
153.01807	0.8
159.11673	0.5
261.05389	0.7
275.09137	5.3
275.20111	1.5
293.07849	0.7
293.11057	0.7
293.21036	2.0
293.28235	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	48.8
57.03420	3.4
58.06593	4.2
61.02917	5.0
69.03430	5.6
70.95856	2.5
70.96173	1.3
70.98122	3.1
71.04977	2.9
71.95262	2.8
73.02912	3.8
74.97603	3.2
81.03414	2.0
83.04969	1.4
84.96031	14.8
85.02908	9.5
86.09704	1.3
88.99126	1.7
95.01341	1.4
97.02882	6.5
97.96800	3.5
98.97579	52.3
99.04504	1.5
102.97072	2.5
107.04960	1.8
109.02892	2.6
110.97575	3.4
112.02834	1.2
112.99117	1.7
115.97832	3.8
116.98615	58.0
119.01860	1.8
120.02584	4.1
120.98067	1.4
124.70575	1.3
124.99121	3.4
127.03918	3.5
128.02341	1.1
128.98613	9.7
131.00185	8.9
131.01915	1.7
133.98886	1.7
134.99652	42.4
140.98596	2.3
141.99422	2.2
143.00153	16.5
145.01747	1.2
146.99644	8.0
148.65610	1.2
149.01212	8.7
150.99121	1.6
152.98711	1.3
153.00684	9.0
157.01698	2.9
158.99635	8.8
160.00417	3.7
161.01213	23.0
161.02692	2.4
161.07076	2.1
162.99190	2.7
165.00729	2.7
170.99591	2.3
173.01215	7.8
174.03558	1.8
174.99164	1.8
175.02777	5.7
175.04340	2.8
177.00688	12.3
179.02220	2.9
182.99600	1.9
183.04091	8.5
183.54254	1.8
183.55775	1.7
184.04874	11.4
187.02669	1.3
189.00632	2.5
190.98648	2.1
191.02243	13.2
192.04683	5.9
195.01759	1.7
201.00749	3.6
202.08652	1.4
203.02209	2.1
205.03807	2.3
209.03294	2.2
212.04478	1.5
219.01721	7.9
221.03267	2.6
223.04863	3.4
232.99680	1.7
233.03264	4.1
233.05193	3.1
237.02855	10.1
248.05414	2.3
251.04391	22.1
253.07693	1.4
255.03798	1.4
269.05429	52.4
287.06519	16.8
287.58939	1.4
292.07080	2.1
293.05399	26.5
293.08493	2.7
311.06467	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	291.2678
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
53.03940	2.6
53.81533	1.7
55.05503	22.9
57.07076	10.9
65.03926	2.1
65.76508	2.3
67.05495	34.0
69.07061	58.1
69.44183	18.4
71.04967	3.1
71.08647	4.0
79.05485	23.8
81.03356	2.6
81.07052	100.0
83.08607	24.6
85.06546	16.7
91.05468	12.4
93.07037	41.4
95.04979	4.4
95.08598	92.7
97.06522	3.5
97.10161	13.7
99.08062	11.8
102.65805	2.1
105.07034	14.1
107.08586	50.6
109.10154	66.7
111.08084	13.8
111.11702	11.3
113.09618	2.6
119.08583	12.7
121.10134	39.8
123.04443	6.7
123.11694	43.7
125.09616	8.0
130.48915	2.0
133.10129	9.9
135.11682	29.6
136.11902	2.0
137.13243	15.2
139.03883	6.9
139.11179	6.2
139.50244	2.3
147.04408	6.5
147.11658	8.8
149.13257	37.9
151.14815	5.1
153.12747	5.8
161.13280	6.8
163.14809	30.3
165.16399	2.4
167.14311	6.3
175.14847	3.5
177.16347	20.2
181.15874	4.4
191.17885	8.5
203.17970	4.8
205.19456	4.8
209.18964	2.9
216.09108	2.2
217.19479	5.1
235.20547	5.3
247.24159	11.3
260.30933	2.3
273.25858	13.6
291.26807	70.1
292.15161	2.6
292.26959	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
52.10361	2.9
55.05510	32.7
56.96553	9.1
57.07067	12.6
65.03946	4.6
67.05505	39.7
69.03438	7.3
69.07070	45.8
71.04984	9.9
71.08619	7.4
71.59631	4.6
73.70777	3.0
79.05491	24.7
81.03406	11.9
81.07055	100.0
82.06575	3.5
82.07390	3.9
83.04983	4.8
83.08607	25.7
83.75481	3.0
85.06528	13.5
91.05495	16.5
93.07044	39.6
95.04973	7.5
95.08602	83.6
95.11443	2.8
97.06512	4.8
97.10156	9.2
97.21071	2.6
98.97588	5.3
99.08094	7.3
100.11245	5.8
105.07034	17.4
107.08589	47.1
109.02830	3.9
109.06518	4.0
109.10159	54.4
111.04424	4.9
111.08057	7.3
111.11728	3.8
115.05427	3.4
116.98638	5.2
118.06547	10.5
119.04925	12.6
119.08582	13.6
120.98811	2.9
121.10139	38.0
123.04431	47.7
123.11695	26.3
131.08574	5.7
131.68684	2.8
133.06462	3.4
133.10130	18.1
134.99692	4.6
135.04443	7.5
135.08095	3.7
135.11693	29.0
137.13252	16.1
139.03917	52.0
139.11142	5.2
143.08572	4.6
145.10068	4.8
147.04390	34.5
147.11691	8.5
148.69389	3.3
149.13260	32.4
151.14853	3.0
152.82208	2.7
153.01799	15.3
161.05986	5.9
161.13313	7.8
163.03923	3.6
163.14832	20.0
165.05487	7.7
175.14861	7.4
176.14310	42.2
177.16374	10.6
189.16467	3.8
191.18033	4.5
202.15903	4.1
203.08693	3.5
203.18004	7.8
217.19542	7.6
246.14912	4.2
263.00671	6.4
273.18451	4.4
273.25696	10.0
291.07959	6.1
291.09933	3.3
291.12820	4.5
291.19598	8.0
291.26813	59.5
292.15430	26.2
292.19067	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2316
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02366	1.3
53.03941	3.9
55.01859	1.7
55.05265	1.2
55.05510	18.0
57.07066	1.4
59.04963	0.9
63.64373	0.7
67.05502	34.8
69.07066	15.7
69.30510	0.8
71.12025	1.3
72.43787	0.8
73.06531	0.8
77.03927	1.4
79.05489	68.1
81.07055	48.6
83.04980	1.8
83.08612	7.5
85.06513	3.0
91.05480	26.2
93.07040	100.0
95.04971	7.8
95.08606	31.1
96.24187	0.8
97.06525	2.7
97.10165	5.0
99.08061	1.2
105.04489	1.2
105.07029	16.0
107.08589	54.1
109.06522	2.7
109.10144	13.4
117.07029	5.0
119.08575	12.7
121.10139	45.1
122.10442	1.2
123.08035	2.2
123.11700	4.5
125.09629	1.1
129.06956	2.1
131.08560	6.9
133.10143	11.9
135.08040	2.5
135.11690	54.7
137.09584	1.7
139.03903	1.0
139.11110	1.0
143.08531	2.2
145.10130	5.2
147.11700	8.7
149.09550	3.1
149.13245	27.9
151.11179	1.2
153.97346	0.7
157.10121	2.7
159.11690	4.8
161.13292	7.7
162.97728	0.8
163.11148	3.0
163.14806	8.7
171.11667	3.4
173.13249	2.1
175.11205	1.1
175.14853	4.7
177.12718	2.8
181.54088	0.9
185.13214	3.0
189.12747	2.2
195.13799	1.1
199.14873	1.1
203.14316	2.0
209.15382	2.0
213.16348	2.7
217.15915	1.4
217.19431	1.1
231.17331	1.8
231.21164	0.9
235.16902	2.3
241.19510	3.6
245.13710	0.8
249.18489	2.1
259.20566	7.4
291.19870	2.4
291.23160	54.5
292.23502	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03937	5.5
55.01869	21.2
55.05510	22.4
57.03428	9.9
58.32016	2.4
59.41053	2.7
63.77971	2.2
64.77528	2.5
65.03920	3.6
67.05499	57.0
69.03429	7.3
69.07063	13.0
71.04979	3.5
71.34149	3.9
71.68198	2.1
78.19501	2.3
79.05496	65.1
81.03419	6.9
81.06570	4.7
81.07055	86.9
81.48264	2.3
82.61480	2.3
82.70170	2.5
83.04984	4.6
83.08611	8.6
84.88580	2.6
85.06526	5.6
88.07618	4.7
91.05483	47.0
93.07042	34.6
95.04359	4.1
95.04968	76.1
95.08597	20.6
97.06535	7.1
97.10174	6.0
99.75619	2.6
103.15079	2.5
105.07014	32.3
107.04937	26.2
107.08590	26.9
109.06513	100.0
109.07256	5.9
109.10146	6.5
111.08074	5.4
115.05460	3.1
117.07027	21.7
119.08578	18.5
121.06488	10.7
121.10134	9.4
123.04414	13.4
123.08067	7.5
129.07018	10.9
131.08578	24.1
133.06467	7.4
133.10109	7.0
135.08057	57.3
135.11697	6.6
139.03894	19.7
143.08548	13.9
145.10097	16.1
147.08057	10.7
147.11650	3.7
149.09645	13.9
149.13268	8.0
157.10109	8.2
159.08026	3.8
159.11703	8.0
161.09602	14.1
161.13232	3.3
163.11171	6.3
171.11703	3.6
175.11208	7.2
177.12750	2.4
180.10185	6.5
189.12822	4.9
199.14842	3.5
207.13757	3.7
217.15932	11.5
227.17850	2.5
236.16478	3.8
237.16457	3.1
249.14854	3.4
255.17574	3.8
263.16940	2.7
273.18509	30.1
291.19537	78.3
291.22827	3.8
291.27069	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03948	2.0
55.05505	9.5
56.96554	1.1
57.07075	2.3
59.04983	2.7
67.05488	5.4
69.03414	2.1
69.07051	2.8
69.45847	8.9
71.04987	3.4
79.05487	10.7
81.03407	1.1
81.07043	7.9
83.04981	3.2
83.08609	8.6
85.06528	2.7
91.05467	6.5
93.07032	14.0
95.04957	5.7
95.08598	15.3
97.06525	4.3
105.07008	9.6
107.04951	14.4
107.08582	10.5
109.06520	7.1
109.10138	2.9
111.08073	39.2
113.09668	2.9
117.06998	2.3
117.99728	0.9
119.08581	9.7
121.06510	3.2
121.10139	6.8
122.07227	1.6
123.04410	1.1
123.08064	34.9
125.09605	3.2
131.08531	5.9
133.06459	3.9
133.10155	8.1
135.08052	7.1
135.11668	3.4
137.09636	2.7
139.03865	2.4
142.07796	1.0
143.08560	3.1
145.10101	4.4
147.04335	1.4
147.08080	2.9
147.11647	5.3
149.09628	7.3
149.13385	1.4
151.07535	100.0
152.07901	1.1
155.08603	1.1
155.10626	2.3
156.09320	1.9
157.10114	4.5
159.08096	2.3
159.11684	1.2
160.08771	1.5
160.93451	0.9
161.09639	2.4
161.13205	1.2
161.20114	0.9
163.11201	3.4
165.09055	1.3
169.10265	1.0
169.12178	1.1
171.11699	3.8
172.20300	1.1
173.09595	1.3
173.13254	7.2
174.10362	1.3
175.11192	4.2
177.09047	1.7
177.12718	0.9
179.10603	5.4
181.12251	1.6
183.11685	1.1
187.14737	1.3
189.12724	28.6
191.10631	1.2
191.14328	14.1
192.11429	4.3
197.11739	15.2
197.13344	1.7
205.12274	1.0
207.13785	65.7
213.16388	1.2
215.14331	2.6
217.12302	4.8
233.15347	36.4
235.13327	2.6
249.18550	2.8
255.17398	1.8
269.10602	2.6
273.18393	6.2
287.11658	3.4
291.19537	52.9
291.22839	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1952
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03942	0.6
55.05505	3.5
57.07057	2.7
59.04982	2.1
62.18269	0.7
62.58721	0.5
65.93020	0.7
66.33513	0.5
67.05499	4.4
69.03420	1.2
69.07049	2.2
69.79457	1.9
69.79877	1.8
71.04967	2.8
71.23689	0.6
79.05487	3.5
81.03445	0.7
81.07053	7.5
83.04948	1.1
83.08611	3.5
85.06516	2.1
90.88660	0.7
91.05472	3.9
93.07036	9.5
95.04972	4.0
95.07972	0.6
95.08598	11.6
97.06511	2.9
98.20797	0.7
105.07031	8.8
107.04949	3.8
107.08592	6.5
108.05719	0.8
108.67289	0.6
109.06512	5.6
109.10162	3.4
111.04453	0.6
111.08075	22.1
113.05970	0.7
113.09605	0.6
117.06994	1.4
119.08567	7.6
121.06513	1.5
121.10127	5.3
122.07259	1.6
122.22400	0.5
123.04433	0.8
123.08060	34.1
123.11678	1.4
125.09627	1.3
128.06186	0.6
129.06967	0.9
130.07796	1.3
131.08554	3.6
132.12151	0.7
133.06468	2.4
133.10115	6.4
135.08061	4.9
135.11720	3.5
137.09627	2.8
139.03963	1.4
141.05466	1.1
143.08543	1.9
145.10109	10.7
147.04390	0.9
147.08034	2.5
147.11688	5.2
149.09613	4.9
151.07532	100.0
155.10666	1.0
156.09351	1.6
157.10101	3.0
159.08102	1.7
159.11639	2.6
161.09595	3.5
161.13268	1.9
163.11131	2.9
165.09146	0.7
169.10112	0.6
171.11697	3.5
173.09702	0.9
173.13211	3.0
174.10410	1.8
175.11180	3.3
177.09076	1.9
179.10696	4.8
181.12271	0.9
183.11650	0.7
185.13269	0.7
187.11186	2.6
187.14897	0.8
189.12726	26.9
191.10713	0.7
191.14206	3.4
192.11429	4.2
197.11713	14.5
197.13257	1.5
203.14330	1.4
205.12306	0.9
207.13789	62.2
208.14171	1.0
213.16356	1.2
215.14325	3.9
217.12233	2.7
231.17496	1.2
233.15364	11.1
235.13252	1.7
249.18477	1.0
255.17369	2.1
273.18491	6.0
291.19516	35.2
291.26828	2.2
304.29718	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.30044	1.3
53.03928	4.3
55.01873	14.9
55.05265	2.1
55.05508	31.4
56.96550	3.8
57.03426	3.2
57.07058	5.4
59.04971	1.6
65.03941	2.2
67.05174	2.8
67.05504	39.7
69.03405	4.2
69.07066	22.7
70.06583	8.3
71.04978	5.4
71.06915	2.2
71.08595	1.5
71.34146	3.2
79.05489	50.2
80.08073	1.2
81.03413	9.3
81.07055	94.7
83.04973	5.0
83.08620	15.0
85.02878	2.2
85.06548	2.8
88.07643	8.4
89.07956	2.7
91.05473	37.4
93.07035	30.4
95.04961	29.8
95.08604	34.4
97.06506	5.2
97.10175	12.1
98.97554	2.4
99.08070	2.1
102.09170	6.3
103.09505	2.6
105.04409	1.3
105.07030	23.0
107.04953	15.8
107.08585	24.5
109.06512	13.6
109.10156	17.7
111.04434	4.2
111.08088	8.3
113.68062	1.3
115.05441	2.0
116.06229	1.6
116.98641	2.8
117.07012	21.0
119.04922	5.1
119.08580	39.0
121.06499	16.6
121.10138	14.4
122.40230	1.2
123.04446	11.0
123.08071	22.3
123.11708	8.2
125.09653	10.3
128.06252	3.3
129.06996	8.5
130.07811	2.9
131.08572	18.3
133.06459	6.5
133.10115	11.7
134.99646	2.5
135.04356	2.2
135.08035	12.4
135.11710	9.1
137.04939	1.7
137.09618	6.2
137.13188	1.8
139.03882	16.0
143.08553	6.0
145.06448	1.5
145.10126	16.5
147.04385	6.1
147.08049	22.7
147.11667	5.6
149.09613	7.0
149.13271	4.0
151.07545	16.0
151.11105	1.6
153.09097	4.3
153.12726	1.3
155.08496	1.8
157.10115	7.1
159.08043	3.8
159.11703	5.3
161.01198	2.4
161.09598	8.1
161.13202	3.9
163.11177	14.6
163.14789	2.1
165.05490	2.8
165.09070	8.0
169.10197	2.0
171.08058	1.5
171.11710	4.9
173.09618	1.6
173.13246	2.4
175.11177	4.6
177.12726	1.5
179.10663	1.7
185.13171	2.9
187.11423	1.9
189.00842	1.5
189.11188	5.1
189.12755	5.1
193.12248	3.3
194.92735	1.5
195.11716	1.8
199.11288	1.6
203.10709	1.8
207.06584	1.9
207.13789	12.0
213.12587	1.7
217.93086	1.7
223.13367	7.0
227.17966	3.2
228.23354	2.7
229.23602	21.7
231.17470	1.9
233.15437	2.1
245.19009	4.0
249.14793	6.9
250.08380	1.5
255.17412	5.9
269.12296	1.5
273.18472	31.3
273.25888	3.7
291.08746	1.7
291.19540	100.0
291.27115	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1953
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03933	0.6
54.98644	0.3
55.01875	1.8
55.05268	0.4
55.05510	7.3
57.03416	0.5
57.07073	0.4
58.89417	0.3
59.05001	0.4
64.44361	0.3
66.67340	0.4
67.05502	5.2
69.03412	1.2
69.07072	3.2
71.04974	1.0
79.05490	6.2
81.03391	0.7
81.07052	6.4
83.04965	1.1
83.08609	3.0
85.06573	0.4
91.05478	5.8
93.07042	5.6
95.04970	3.4
95.08607	3.0
97.06499	0.5
97.10155	3.2
98.21460	0.9
103.05469	0.5
105.03391	0.5
105.06374	0.6
105.07027	6.3
107.04941	2.7
107.08604	2.7
109.06504	1.1
109.10152	1.3
111.04407	0.4
111.08037	0.7
115.05424	0.8
117.07013	2.6
119.04951	1.6
119.08564	3.8
120.05761	0.5
121.06512	1.5
121.10143	1.3
123.04456	1.1
123.08034	1.2
125.09624	1.2
128.06218	0.4
129.06984	1.5
130.07755	0.6
131.08565	2.7
133.06488	2.8
133.10110	1.4
134.07269	0.8
135.08026	1.5
135.11685	0.8
137.09612	0.5
139.03923	2.2
143.08546	1.4
144.57620	0.3
145.06572	0.4
145.10112	2.6
146.84947	0.3
147.04390	0.4
147.08032	3.6
147.11696	0.6
149.09651	1.1
149.13229	0.4
155.08647	0.3
157.10115	0.6
159.07953	0.4
159.11674	0.5
161.09587	1.4
161.13187	0.4
162.10370	1.2
163.11166	0.7
165.09070	0.4
171.11682	0.5
175.11194	0.9
189.12851	0.6
194.24481	0.4
223.13243	0.9
233.15172	0.4
233.35463	0.3
249.14830	2.1
249.18466	0.8
255.17255	0.5
256.19327	0.3
261.14969	0.6
263.16583	0.4
273.18536	2.3
291.19531	100.0
292.19873	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.15442	2.1
53.03934	3.7
55.01867	21.6
55.05510	19.2
57.03434	11.4
57.07054	2.5
59.26818	1.7
59.68794	1.6
65.03925	2.4
67.05498	32.2
69.03412	2.7
69.07066	10.8
69.51256	5.0
69.51679	10.8
71.04996	3.8
79.05058	2.7
79.05492	43.3
81.03386	4.5
81.07052	38.0
83.04965	6.6
83.08604	6.4
85.06547	5.9
91.05478	42.2
91.58710	1.9
93.07040	31.5
95.04984	14.1
95.08600	17.7
96.35646	1.8
97.06518	3.7
97.10162	5.1
98.88776	1.7
105.07026	28.9
107.04948	20.5
107.08602	32.5
109.06511	46.3
109.10175	8.8
111.08112	4.6
115.05442	3.3
117.07011	20.1
119.04961	4.4
119.08576	21.8
121.06514	12.9
121.10156	10.5
123.04404	11.8
123.08049	6.5
123.11629	2.9
125.09618	3.3
128.06233	3.0
128.16100	2.0
129.06998	10.3
131.08554	18.8
133.06473	7.7
133.10144	11.5
135.08049	69.2
135.11650	4.5
137.09601	2.7
139.03888	18.2
143.08545	9.0
145.06491	1.9
145.10092	14.9
147.04414	4.5
147.08032	12.8
147.11665	2.2
149.09616	16.3
157.10123	8.2
159.08070	3.6
159.11722	4.5
161.09621	12.9
161.13257	2.0
163.11165	6.0
171.11653	6.9
173.09613	2.4
175.11197	6.0
177.09175	1.8
177.12708	2.7
185.13272	3.0
195.11760	3.1
197.25899	1.9
199.14815	2.9
207.13881	2.7
217.15822	12.6
227.17940	2.7
245.19023	6.7
249.14857	3.2
249.18596	2.3
255.17415	4.8
263.19891	4.0
273.18518	39.7
291.19540	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	291.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	11.9
55.05501	4.7
56.96557	11.1
57.03440	3.7
65.03948	3.9
67.05488	6.9
67.10786	2.0
69.03419	12.1
69.07047	2.5
70.06577	2.4
70.80542	2.1
71.05005	3.4
71.59518	3.5
73.02884	2.1
79.05488	4.8
81.02974	3.7
81.03416	42.5
81.07052	5.7
83.04948	4.7
85.02896	36.7
91.05482	12.3
91.05939	2.1
93.07030	5.0
95.01330	3.3
95.04950	8.3
95.08608	3.8
97.02861	13.5
98.97588	12.9
103.05450	10.2
105.07010	10.5
107.04951	12.1
107.08602	3.4
109.02872	10.1
109.06556	2.8
111.03712	3.2
111.04438	38.9
114.85598	2.3
115.05446	19.5
116.98646	12.0
117.06992	17.7
119.04945	11.6
119.08602	5.5
121.06477	7.8
123.03554	4.2
123.04429	70.5
123.08074	2.8
124.04743	5.1
125.04887	2.3
127.03905	3.3
128.06206	13.2
129.07016	22.7
131.04924	19.1
131.08578	6.4
132.05725	3.2
133.06496	11.8
134.99658	8.2
135.04344	5.2
135.08057	3.8
136.05066	2.5
137.04964	4.7
137.05939	22.5
139.03900	86.8
139.05495	3.5
141.06992	17.6
142.07751	4.9
143.04903	10.7
143.08559	9.8
144.05693	7.8
145.02861	6.6
145.06468	20.7
146.07227	2.8
146.99651	2.4
147.04410	36.7
147.08054	7.1
149.05984	22.0
151.03951	4.8
151.07532	91.9
152.06151	13.0
153.01785	9.6
153.06927	5.1
155.08511	5.2
156.05711	3.2
156.25809	2.5
157.06471	18.1
157.10107	3.5
158.07283	6.3
158.99718	5.1
159.08051	6.5
160.05209	16.5
161.01196	3.9
161.05977	24.1
161.09686	4.3
162.06718	5.5
163.07545	20.6
165.05464	15.4
165.06966	8.0
165.09100	4.7
166.07761	2.7
167.04878	4.5
167.07179	4.1
167.08557	18.9
169.06447	20.2
170.07275	5.1
171.04387	3.9
171.08025	18.0
173.06004	9.4
173.09586	3.0
174.06723	14.7
175.07542	100.0
176.04767	2.5
176.08301	3.9
177.00696	3.5
177.05460	19.4
177.09099	26.9
179.07037	5.6
179.10663	4.3
181.06436	4.4
183.08054	6.8
184.05196	2.5
184.08844	3.8
185.05998	14.5
185.09587	11.9
186.06697	7.7
187.07489	19.9
189.05502	7.5
189.09113	19.9
191.07027	10.3
191.10672	6.5
193.08575	27.4
195.08060	22.7
195.10138	8.0
197.05998	10.8
198.06688	8.9
199.03928	2.6
199.07556	15.2
201.00735	3.9
201.05455	9.1
201.09081	24.8
202.06126	3.1
203.06990	10.6
203.10678	10.0
205.08609	7.4
207.06429	7.0
209.08020	3.2
211.07550	5.6
212.04503	3.3
212.08278	4.1
213.05493	12.3
213.09091	14.2
214.06166	4.1
215.07042	11.1
215.10638	6.1
215.56544	2.3
217.08662	13.9
218.08208	3.1
219.01645	2.8
219.10168	8.8
223.07568	11.5
225.05609	3.1
227.07065	12.5
227.10660	9.8
229.08620	27.9
231.10124	14.9
232.07213	2.9
240.07838	4.0
241.08548	15.1
243.10106	5.1
245.08054	27.7
245.11635	11.6
247.09590	13.1
255.10100	14.1
259.09656	3.0
261.11200	7.0
266.58350	4.6
267.08066	3.2
273.11197	36.0
291.08847	8.0
291.12277	84.5
291.19562	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.91623	0.4
51.02382	0.5
53.03913	0.3
55.01859	1.3
65.03924	0.7
67.05490	1.1
68.99778	2.0
71.15596	0.4
71.15924	0.7
73.81907	0.4
77.03909	0.4
83.04973	1.3
88.96687	0.4
91.05476	1.6
92.20394	0.4
93.03382	0.9
95.04989	2.4
97.02894	0.4
98.97578	1.1
105.06992	0.6
107.04922	0.6
111.04432	3.0
115.05444	1.4
116.98636	0.9
119.04935	6.6
123.04424	64.7
123.92121	0.4
124.04774	0.7
127.03904	1.2
131.04918	0.8
133.06525	0.8
135.04431	0.6
137.02299	0.8
137.05951	0.9
139.03896	100.0
140.04207	1.6
143.00111	0.4
143.04897	2.7
147.04405	21.3
151.03926	2.2
151.07571	0.4
153.05403	0.8
159.04498	0.6
161.05980	7.2
162.06367	0.4
163.03949	1.7
165.05472	13.4
169.04976	1.2
177.05528	0.8
179.07053	3.8
181.04944	1.0
189.05473	1.4
207.06512	7.2
249.07549	1.3
256.14664	0.4
266.33615	0.4
273.07571	1.3
291.08636	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	291.1225
Annotation	10,2'-dihydroxy-4'-methoxy-isoflav-8-ene-7-one
Peak:m/z	Relative Intensity
55.01877	11.9
55.05501	4.7
56.96557	11.1
57.03440	3.7
65.03948	3.9
67.05488	6.9
67.10786	2.0
69.03419	12.1
69.07047	2.5
70.06577	2.4
70.80542	2.1
71.05005	3.4
71.59518	3.5
73.02884	2.1
79.05488	4.8
81.02974	3.7
81.03416	42.5
81.07052	5.7
83.04948	4.7
85.02896	36.7
91.05482	12.3
91.05939	2.1
93.07030	5.0
95.01330	3.3
95.04950	8.3
95.08608	3.8
97.02861	13.5
98.97588	12.9
103.05450	10.2
105.07010	10.5
107.04951	12.1
107.08602	3.4
109.02872	10.1
109.06556	2.8
111.03712	3.2
111.04438	38.9
114.85598	2.3
115.05446	19.5
116.98646	12.0
117.06992	17.7
119.04945	11.6
119.08602	5.5
121.06477	7.8
123.03554	4.2
123.04429	70.5
123.08074	2.8
124.04743	5.1
125.04887	2.3
127.03905	3.3
128.06206	13.2
129.07016	22.7
131.04924	19.1
131.08578	6.4
132.05725	3.2
133.06496	11.8
134.99658	8.2
135.04344	5.2
135.08057	3.8
136.05066	2.5
137.04964	4.7
137.05939	22.5
139.03900	86.8
139.05495	3.5
141.06992	17.6
142.07751	4.9
143.04903	10.7
143.08559	9.8
144.05693	7.8
145.02861	6.6
145.06468	20.7
146.07227	2.8
146.99651	2.4
147.04410	36.7
147.08054	7.1
149.05984	22.0
151.03951	4.8
151.07532	91.9
152.06151	13.0
153.01785	9.6
153.06927	5.1
155.08511	5.2
156.05711	3.2
156.25809	2.5
157.06471	18.1
157.10107	3.5
158.07283	6.3
158.99718	5.1
159.08051	6.5
160.05209	16.5
161.01196	3.9
161.05977	24.1
161.09686	4.3
162.06718	5.5
163.07545	20.6
165.05464	15.4
165.06966	8.0
165.09100	4.7
166.07761	2.7
167.04878	4.5
167.07179	4.1
167.08557	18.9
169.06447	20.2
170.07275	5.1
171.04387	3.9
171.08025	18.0
173.06004	9.4
173.09586	3.0
174.06723	14.7
175.07542	100.0
176.04767	2.5
176.08301	3.9
177.00696	3.5
177.05460	19.4
177.09099	26.9
179.07037	5.6
179.10663	4.3
181.06436	4.4
183.08054	6.8
184.05196	2.5
184.08844	3.8
185.05998	14.5
185.09587	11.9
186.06697	7.7
187.07489	19.9
189.05502	7.5
189.09113	19.9
191.07027	10.3
191.10672	6.5
193.08575	27.4
195.08060	22.7
195.10138	8.0
197.05998	10.8
198.06688	8.9
199.03928	2.6
199.07556	15.2
201.00735	3.9
201.05455	9.1
201.09081	24.8
202.06126	3.1
203.06990	10.6
203.10678	10.0
205.08609	7.4
207.06429	7.0
209.08020	3.2
211.07550	5.6
212.04503	3.3
212.08278	4.1
213.05493	12.3
213.09091	14.2
214.06166	4.1
215.07042	11.1
215.10638	6.1
215.56544	2.3
217.08662	13.9
218.08208	3.1
219.01645	2.8
219.10168	8.8
223.07568	11.5
225.05609	3.1
227.07065	12.5
227.10660	9.8
229.08620	27.9
231.10124	14.9
232.07213	2.9
240.07838	4.0
241.08548	15.1
243.10106	5.1
245.08054	27.7
245.11635	11.6
247.09590	13.1
255.10100	14.1
259.09656	3.0
261.11200	7.0
266.58350	4.6
267.08066	3.2
273.11197	36.0
291.08847	8.0
291.12277	84.5
291.19562	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.02370	0.4
52.09637	0.4
55.01856	1.6
55.02103	0.4
61.04530	0.3
64.24352	0.3
65.03933	1.0
67.05489	1.8
68.99776	1.7
69.03396	0.5
71.58500	0.9
79.95544	0.4
83.04966	1.6
91.05474	2.1
93.03393	1.3
95.04957	3.7
97.02892	0.5
105.03370	0.4
105.06960	0.6
107.04927	0.6
111.04432	3.3
115.05437	1.4
119.04926	6.5
123.04419	67.8
124.04778	0.8
127.03907	1.0
133.06456	1.4
135.04424	0.9
137.02321	1.2
137.05978	1.3
139.03889	100.0
140.04237	1.6
143.04919	3.1
147.04398	22.8
151.03876	2.5
151.07494	0.6
153.05421	0.6
161.05975	8.1
163.03906	2.0
165.05464	13.6
169.04956	1.6
177.05447	1.0
179.07027	3.5
181.04947	1.1
189.05418	1.5
207.06502	6.7
249.07542	1.3
273.07507	1.3
291.08585	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	291.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01867	1.8
61.79435	0.4
65.03934	0.8
67.05499	1.2
68.99789	2.1
69.75033	0.5
70.01243	2.4
83.04976	1.1
91.05472	1.6
93.03407	1.5
95.04979	3.1
96.00485	0.4
97.02837	0.5
105.03403	0.8
105.06989	0.6
107.04935	0.5
111.04450	2.5
115.05436	1.2
118.90136	0.4
119.04944	5.6
123.04417	67.6
124.04781	1.6
127.03897	1.3
133.06494	0.9
135.04407	0.7
137.02332	0.7
137.05945	0.8
139.03886	100.0
140.04236	1.4
143.04883	2.7
147.04393	22.6
148.04709	0.6
151.03868	2.6
161.05960	7.4
163.03891	1.9
165.05458	13.4
169.04938	1.6
177.05484	1.4
179.07028	3.2
181.04996	1.0
189.05428	2.0
207.06503	6.5
249.07626	1.0
273.07648	1.4
291.08585	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	291.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01867	1.9
55.05508	12.7
55.10897	1.7
56.96559	43.7
57.07071	6.0
64.47647	1.6
65.03934	2.6
67.05155	2.8
67.05501	27.2
69.03418	3.6
69.07064	23.7
71.04993	3.1
71.08631	2.7
71.60287	2.4
71.95258	2.3
79.05481	11.2
81.03415	11.5
81.07050	57.0
83.04999	3.1
83.08615	12.3
84.96043	3.5
85.02882	2.3
85.06537	4.3
91.05482	9.5
93.07032	21.4
95.04968	6.7
95.08601	59.1
97.06554	3.6
97.10167	7.2
98.97580	93.5
99.04390	1.9
105.07011	10.4
107.04996	1.5
107.08589	21.7
109.02917	2.1
109.10146	38.3
110.97594	2.7
111.04406	3.3
111.08102	4.6
111.11710	2.1
115.05410	1.9
116.98610	100.0
119.04945	6.2
119.08554	8.3
121.10134	15.8
123.04433	26.3
123.08106	2.5
123.11702	14.8
124.04787	2.0
124.99126	2.3
125.09621	3.0
127.03889	3.1
127.11187	2.0
128.98596	5.0
129.07048	1.7
131.00169	3.2
133.10146	5.9
134.99654	75.1
135.03394	1.5
135.04341	8.1
135.11662	11.6
136.04736	3.4
137.04951	3.8
137.13260	10.1
139.03889	35.0
139.11176	3.3
140.00212	5.6
140.04204	2.9
140.98575	4.0
143.00153	14.2
146.99678	7.0
147.04391	27.0
147.11702	5.9
149.01207	6.0
149.13206	14.6
151.04008	2.1
151.07527	3.2
151.14809	2.2
153.00706	12.0
153.01846	9.6
153.12753	1.5
158.01277	5.7
158.99609	11.4
161.01213	51.7
161.05928	4.2
161.13252	4.3
163.03944	2.1
163.14822	10.3
165.05496	5.4
165.16327	2.1
170.99626	11.8
173.01230	2.3
174.99084	8.3
177.00693	26.3
177.16377	5.7
179.02258	14.2
182.99669	6.1
184.02849	4.0
185.01201	3.6
189.00694	39.6
189.16290	2.7
191.02325	2.1
191.17923	2.6
193.00192	2.5
195.01807	7.6
199.14824	1.7
201.00684	40.8
202.03784	1.8
203.17789	1.7
207.01653	10.3
207.06537	1.9
207.87715	1.6
212.02388	4.4
217.19437	3.3
219.01750	39.6
219.03857	2.0
224.02284	1.9
231.01817	4.3
237.02853	5.2
242.03331	4.2
248.08351	2.6
249.02805	34.7
267.03821	13.5
272.04443	4.1
273.25690	11.3
276.07916	1.9
291.09061	4.1
291.15833	1.7
291.19669	4.1
291.26794	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05490	2.7
56.96534	1.1
57.94926	0.9
59.04980	0.8
65.03922	1.8
67.05482	2.7
69.03404	1.0
69.07050	7.3
71.59550	1.2
72.22046	0.7
73.06530	2.6
79.05494	1.3
81.03393	1.4
81.07050	7.8
83.08585	1.1
83.17467	0.6
91.05481	1.1
93.07021	2.4
95.04900	0.8
95.08587	7.1
97.02892	0.6
105.06975	1.7
107.04945	0.9
107.08560	3.1
108.05267	0.6
109.10141	2.7
111.04433	4.9
111.08087	0.7
112.04760	2.6
115.05381	0.8
118.06522	15.7
119.04945	1.0
119.08562	1.4
121.10135	1.7
123.04421	10.5
123.11669	2.0
124.04756	4.4
127.03887	1.8
128.04285	1.1
131.04959	0.7
132.08095	4.8
133.08853	2.5
133.09959	0.6
135.04391	11.5
135.11664	1.2
136.04744	12.9
137.02275	0.8
137.13210	1.6
139.03883	8.9
139.11165	0.8
140.04224	3.8
146.09610	5.5
147.04401	3.2
147.10422	0.7
147.11624	1.0
149.13219	1.4
150.02727	0.8
151.03877	2.5
152.04222	2.7
160.04755	0.8
161.05864	0.9
163.03911	1.4
164.04253	2.3
173.60191	0.6
176.14325	74.9
177.14670	1.4
203.17862	0.9
207.06474	0.7
230.11728	0.9
232.06760	1.3
260.06308	1.4
262.07898	1.4
272.06454	1.6
287.13174	0.8
290.07156	2.8
290.21103	100.0
291.08368	1.0
291.21472	2.6
291.26855	2.2
305.19177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2113
Annotation	Dyclonine
Peak:m/z	Relative Intensity
55.01855	1.2
55.05497	1.4
57.07072	4.9
59.04991	0.4
65.03928	0.7
66.04263	0.5
67.05493	1.4
67.55826	0.4
69.07059	3.6
70.06590	10.3
70.10053	1.0
70.10442	1.5
71.08620	0.9
73.02919	3.3
73.06544	1.6
79.05482	1.0
81.03415	0.8
81.07050	1.5
84.08140	0.6
85.10173	1.0
88.07634	10.1
91.05489	0.6
93.07027	1.0
95.04940	0.6
95.08601	2.1
96.05318	0.4
97.10168	0.4
99.53397	0.5
100.43040	0.4
102.09142	0.5
105.07014	0.7
106.08641	1.3
107.04971	0.9
107.08591	0.7
109.10125	1.2
111.04445	3.2
112.04779	2.4
114.09156	2.9
118.06538	11.5
118.08688	1.1
119.07261	0.5
119.08601	0.4
121.10148	0.5
123.04424	6.3
123.11733	0.6
124.04733	4.0
127.03909	1.3
128.04263	1.0
131.08508	0.5
132.08084	2.8
132.10199	14.2
132.11154	1.0
133.08876	1.3
134.09645	1.0
135.04407	8.2
136.03773	0.8
136.04752	9.9
139.03888	6.1
140.04236	3.3
146.09604	3.6
147.04404	2.1
147.11627	0.5
149.02293	0.5
149.05983	0.7
150.02698	0.6
150.11253	10.2
151.03870	1.6
152.04243	2.0
160.11224	0.6
163.03844	1.0
164.04248	1.4
165.05472	0.9
176.14343	47.7
177.14738	1.0
202.15916	1.0
204.07437	0.4
214.21718	0.8
228.23294	1.1
232.13368	1.0
246.14886	1.1
246.24286	3.9
247.15552	0.5
260.06226	0.5
262.07886	0.9
272.06323	1.1
290.07288	1.6
290.21170	100.0
290.26801	64.4
291.08752	0.8
291.21677	2.9
291.27084	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03923	0.9
54.92147	0.8
55.01854	1.0
55.05509	6.1
57.03437	0.8
57.07064	2.8
57.55273	0.7
65.03919	2.3
67.01855	2.7
67.05499	9.3
68.99780	3.5
69.03423	1.9
69.07065	10.7
71.04986	1.0
71.08640	0.8
71.60040	1.1
75.93690	0.8
79.05480	8.5
81.03400	1.0
81.07055	23.3
83.01331	0.9
83.04993	1.2
83.08607	3.3
85.06549	1.2
89.03925	4.4
91.05475	7.5
93.03407	2.1
93.07039	13.0
95.04971	3.8
95.08608	21.9
96.08148	1.0
97.02885	1.0
97.06538	2.1
97.10162	2.7
105.07033	8.4
107.04941	4.0
107.08591	13.0
108.17202	0.7
109.06503	1.2
109.10152	14.1
111.00789	3.9
111.04436	8.2
111.08043	1.2
111.11720	1.2
117.03389	7.3
117.05724	0.8
117.07024	1.1
118.06544	2.2
119.08572	7.0
120.08105	3.6
121.02872	3.1
121.10133	9.6
123.03533	1.8
123.04420	12.7
123.11705	8.0
124.07569	4.1
125.09694	1.4
127.03952	4.6
131.04904	1.2
131.08557	3.4
133.10143	7.1
134.06021	2.0
135.04411	36.4
135.11664	6.8
136.04753	2.0
136.07568	2.2
137.02344	1.7
137.09579	1.1
137.13239	2.6
139.03893	10.2
139.11182	1.0
141.64560	0.8
145.02861	7.7
145.10104	4.4
146.03166	1.3
146.05969	1.3
147.04475	0.8
147.11682	5.6
148.07567	2.1
149.02313	2.0
149.13242	6.0
151.03920	4.6
151.11188	1.0
153.01823	95.9
154.02162	6.0
155.02333	2.7
159.04485	1.4
159.11710	4.1
161.05974	0.9
161.13268	6.5
163.03900	55.8
163.14799	3.8
164.04250	2.1
164.07066	32.3
165.07468	0.9
165.12776	1.2
166.02119	0.9
166.08626	1.1
167.02328	1.1
171.02901	7.3
173.13251	2.0
175.14807	3.7
177.16365	1.9
179.03427	6.0
179.14293	1.4
187.03879	2.2
187.14830	2.9
189.16409	2.4
197.05988	1.0
201.16348	1.5
213.05415	1.1
215.06015	1.3
215.17955	4.7
216.10188	1.2
219.17375	1.2
229.19398	1.0
231.06465	1.1
233.19014	1.3
245.16521	1.1
245.22609	1.1
259.06094	1.4
271.06033	3.1
271.14438	5.8
271.24216	10.1
289.06540	100.0
289.15433	23.5
289.18497	1.9
289.25223	25.1
290.07083	5.4
290.15802	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0916
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03944	0.5
53.65741	0.4
55.01870	0.7
61.02903	0.8
69.03411	1.3
70.98607	0.8
81.03407	0.9
85.02892	5.3
95.06098	0.4
97.02901	1.4
109.02868	0.7
123.04324	0.4
123.05527	0.5
127.03910	100.0
128.04256	1.1
135.04445	0.7
141.06583	0.5
271.16730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
53.16058	0.2
55.01860	0.4
57.03423	0.3
61.02911	0.7
64.61044	0.3
65.85110	0.3
69.03432	1.5
70.65342	0.7
70.65693	0.5
71.04965	0.4
76.75063	0.3
77.33492	0.3
81.03406	0.9
81.07065	0.6
85.02894	4.4
95.06091	0.4
96.22920	0.3
97.02866	1.8
97.97948	0.2
107.04949	0.5
109.02877	0.9
111.04423	0.6
111.05582	0.7
112.94611	0.3
123.04420	1.1
123.05556	0.8
127.03908	100.0
128.04262	1.3
134.57634	0.3
135.04376	1.8
139.03865	1.6
141.06563	1.2
145.04916	0.7
151.03900	0.4
163.03839	0.3
221.12900	0.4
239.13930	0.6
271.16574	1.2
289.12573	1.7
289.17438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2524
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.01841	0.9
55.05516	4.4
56.96542	1.5
57.03437	0.9
57.07054	2.5
62.97102	0.7
65.03923	1.4
67.05499	8.4
68.99773	2.1
69.03414	1.3
69.06727	0.6
69.07069	10.1
71.00201	0.6
71.04987	0.9
71.08594	0.6
77.03905	0.6
77.64748	0.7
79.05492	6.2
81.03382	0.9
81.04822	0.6
81.06577	1.2
81.07050	19.8
82.86924	0.6
83.04979	0.8
83.08619	3.2
86.59868	0.5
88.76233	0.9
89.03867	0.6
91.05472	5.2
93.03410	0.7
93.07034	12.3
95.04956	2.8
95.08607	20.4
97.06506	1.9
97.10170	3.0
98.97561	0.8
103.05468	1.2
105.07027	7.5
107.04942	2.5
107.08585	10.9
107.10989	0.6
109.06466	1.2
109.10153	14.3
111.00843	1.0
111.04439	4.4
111.08064	1.9
111.11713	1.7
117.06992	1.8
119.08581	7.2
120.08091	1.0
121.02841	3.4
121.10130	9.9
122.03158	2.4
123.03498	1.0
123.04401	5.7
123.08044	0.8
123.11686	7.2
125.09574	1.0
127.03914	3.1
129.06993	0.8
131.04907	1.0
131.08543	2.5
133.02843	1.0
133.10129	5.6
135.04416	10.5
135.11691	7.2
137.02342	1.5
137.05936	0.8
137.09641	0.9
137.13226	2.6
138.02661	0.7
139.02902	0.8
139.03882	5.3
139.11130	1.1
143.08572	0.8
145.10114	2.8
147.04359	1.1
147.11685	5.1
149.02354	1.2
149.09599	0.9
149.13252	7.2
151.03900	1.5
151.14769	1.1
153.01817	11.0
154.02165	2.9
155.02269	3.4
157.06528	1.0
159.11673	3.6
161.06042	0.7
161.13286	4.3
163.03899	2.8
163.14793	4.8
165.01834	1.0
165.12732	0.9
166.02184	1.0
167.02269	1.4
173.13249	2.1
175.14789	3.9
177.16380	2.4
179.14313	0.9
184.03262	0.7
185.03354	0.9
187.14806	2.2
189.16446	3.0
191.14276	0.8
201.09145	1.0
201.16385	2.4
203.17964	1.1
205.15794	0.8
215.05824	0.9
215.17993	3.7
229.19492	1.1
233.07166	0.6
233.18987	1.2
243.05640	1.5
243.14902	1.4
245.22638	2.4
247.06270	0.7
259.05707	1.0
260.05844	1.5
261.06915	1.0
271.05649	0.8
271.14389	2.6
271.24185	13.4
283.12079	1.7
289.06039	100.0
289.25247	28.2
289.27704	0.4
290.06345	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	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03925	0.5
55.01851	0.6
56.96554	0.5
57.03428	0.3
61.02913	1.1
65.03916	0.4
68.99792	0.3
69.03421	1.1
71.04979	0.4
71.51236	0.6
73.02918	0.3
74.35228	0.2
79.05489	0.3
81.03407	0.9
83.01360	0.3
85.02894	4.2
86.90045	0.2
89.03921	0.2
95.04930	0.4
97.02878	1.3
99.04443	0.4
99.54121	0.2
107.04911	0.5
109.02858	1.2
111.04452	1.7
123.04419	6.1
127.03905	100.0
128.04207	1.1
135.04404	2.7
137.02324	0.3
139.03880	2.3
145.04927	0.5
149.02383	0.3
151.03885	0.9
153.01804	1.2
163.03854	1.9
171.06529	0.3
173.05991	0.3
187.03914	0.4
197.05965	0.3
200.88551	0.2
245.04477	0.7
271.06021	0.7
289.06891	1.1
289.12463	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	Isookanin
Peak:m/z	Relative Intensity
53.03937	1.3
55.01857	1.0
55.05506	2.5
56.96569	1.1
57.07064	1.0
61.55265	0.7
65.03939	7.0
67.05503	7.6
68.99784	3.3
69.07082	4.3
69.38149	6.8
71.04980	1.3
75.91275	0.7
77.03880	0.7
79.05492	5.4
81.03412	2.1
81.07056	10.1
83.04970	1.3
83.08610	2.1
84.44420	0.7
87.51437	0.7
89.03908	4.5
89.10394	0.8
91.05471	2.9
93.03402	4.0
93.07041	6.4
95.04972	4.3
95.08604	8.9
97.06552	1.1
98.97534	1.1
103.05474	0.8
105.07047	4.3
107.04966	6.4
107.08600	4.9
107.09184	0.7
109.02925	1.0
109.06498	0.9
109.10164	5.5
111.00814	1.7
111.04440	31.5
115.05424	0.8
117.03391	3.0
119.04911	0.8
119.08590	2.3
121.02879	1.7
121.10132	4.6
123.04427	45.9
123.08077	0.7
123.11677	1.6
127.03906	14.4
131.04922	3.8
133.10139	2.4
135.04413	100.0
135.11685	4.4
137.02304	4.2
137.05980	1.7
139.03897	41.2
141.07007	1.0
145.10089	1.4
147.04344	0.8
147.11702	3.0
149.02318	7.3
149.05986	2.1
149.13274	1.7
150.03125	0.9
151.03903	19.2
153.01805	3.2
157.06509	1.2
158.21750	0.8
159.04425	2.0
159.11681	1.0
161.13245	1.4
163.03900	17.2
163.14792	0.8
169.06522	1.5
173.06027	1.1
175.14774	1.0
177.05443	2.2
179.03378	2.2
185.06078	1.3
197.06013	1.8
205.05057	1.3
213.05496	1.6
215.07108	1.7
215.17941	1.1
220.92177	0.7
221.56590	0.8
229.05052	0.8
231.06526	4.9
243.06522	2.4
259.06003	6.5
261.07574	8.4
271.03302	1.0
271.06015	5.8
271.24384	1.5
280.14157	0.8
289.06094	20.7
289.10754	1.6
289.18347	1.1
289.25195	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	289.0705
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
55.01860	1.6
63.97232	1.1
65.03929	4.9
67.01855	1.8
67.05468	1.0
68.99783	6.3
69.03429	2.1
69.62822	7.0
69.63236	1.7
70.19360	1.2
79.05482	2.4
81.03413	1.8
89.03919	1.5
91.05461	4.1
93.03358	1.6
95.04938	1.6
103.31128	1.2
105.03437	1.8
107.04955	53.0
107.05688	2.7
108.05266	1.1
111.04462	8.1
113.70148	1.3
115.05409	1.7
117.03365	2.2
119.04917	4.6
121.02869	12.8
123.03548	2.5
123.04420	38.2
127.03925	8.2
128.45302	1.0
131.04976	2.8
135.04407	28.0
137.02339	2.2
139.03912	19.5
141.06970	4.2
144.70758	1.2
145.02794	2.1
147.04407	2.8
149.02338	81.6
151.03897	6.0
153.01817	69.5
154.02408	1.3
159.04396	1.8
163.03894	15.4
167.03415	5.9
169.06517	6.7
171.02878	2.0
173.06036	1.3
187.04013	2.1
187.07602	2.8
195.02856	5.5
197.05951	9.9
215.07016	87.5
225.05466	1.8
231.06572	1.8
242.05717	1.9
243.06519	100.0
244.06821	2.1
253.04955	2.2
261.07687	1.3
271.05991	32.2
289.07043	16.7
289.15247	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
53.03949	1.0
55.01868	1.0
55.42304	0.7
56.96545	0.7
58.93417	0.7
59.67665	0.6
61.02919	1.0
65.03942	6.1
67.05514	1.3
68.99800	3.5
69.03413	1.5
69.89882	4.6
77.39900	0.8
79.05474	1.5
80.37045	0.6
81.03422	2.2
85.02902	2.7
89.03943	3.7
93.03402	5.8
95.04978	2.8
96.11916	0.7
97.02880	1.4
98.21446	0.9
98.97572	2.1
99.04448	1.0
103.05444	1.2
106.66218	0.7
107.04948	5.5
109.02879	2.0
111.00871	0.9
111.04441	26.8
112.56763	0.7
117.03384	2.6
117.76860	0.7
119.01928	4.5
121.02838	1.1
123.04430	42.9
127.03914	60.7
131.04933	3.3
132.90030	0.6
135.04411	100.0
137.02333	2.7
139.03900	40.2
139.42537	0.7
141.06979	0.9
143.14565	0.7
149.02347	5.4
149.06001	2.0
151.03888	16.8
153.01820	1.3
157.06494	1.1
159.04396	2.6
161.02904	1.5
161.06041	1.2
163.03893	19.0
169.06462	1.5
170.05157	1.9
173.03046	0.8
173.05971	1.3
177.05455	1.9
179.03432	2.1
185.05899	0.9
187.03882	1.6
197.05934	2.8
201.05450	1.2
205.05031	0.9
213.05356	1.7
215.00369	1.1
215.06989	1.6
216.74921	0.7
225.05472	1.3
231.06566	4.9
241.04782	1.1
243.06531	2.1
247.03323	1.2
247.06047	1.2
259.06073	4.4
261.07541	7.4
271.06042	8.8
289.07004	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	289.0706
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
50.52229	1.8
52.42982	1.7
61.09571	2.0
64.18885	1.6
65.03934	7.5
67.05508	4.1
68.99784	8.0
70.84267	2.2
70.84590	3.3
77.03950	3.2
79.00304	1.6
79.05484	2.8
81.03427	2.2
85.37372	1.7
89.03916	4.9
91.05483	6.0
93.03410	4.4
95.04970	6.5
95.92048	1.9
103.05488	3.1
107.04948	50.9
109.02864	2.1
111.04436	24.3
115.05459	3.0
117.03366	3.6
119.04906	2.7
121.02879	18.2
123.04420	98.2
127.03911	32.5
127.07229	2.0
128.01521	1.7
131.04924	3.3
135.04408	91.4
137.02335	5.1
139.03888	54.2
139.04877	3.7
141.06976	5.9
145.02855	3.0
145.06532	2.5
147.04384	4.6
147.08020	3.8
149.02336	91.2
149.05968	2.4
151.03891	15.5
153.01814	51.9
159.04407	5.3
159.18211	1.9
163.03893	38.3
163.05203	2.5
167.03442	5.1
169.06444	12.1
171.02754	2.0
173.06027	2.0
177.05540	2.6
187.03934	6.8
187.07510	2.1
195.02858	2.5
197.05994	13.0
205.04956	4.4
213.05443	2.6
215.07011	91.8
225.05547	2.4
229.05005	2.1
231.06474	3.9
243.06532	100.0
244.06850	2.4
245.04436	2.5
253.04727	2.3
259.05960	3.3
261.07382	4.2
261.54990	2.0
261.57727	2.4
271.05994	40.1
271.08774	2.9
289.07104	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	289.0705
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
51.84904	0.6
56.96560	1.1
64.07700	0.8
65.03943	5.3
67.05505	2.0
68.07084	0.7
68.99783	3.4
70.11871	0.8
70.86884	1.0
70.87238	1.6
74.84940	0.7
79.05488	1.0
81.03419	1.1
89.03895	4.0
93.03400	6.3
95.04945	3.0
103.05502	1.2
107.04973	5.8
109.02869	2.1
111.04436	23.4
115.05463	0.9
117.03397	2.7
118.66319	0.7
121.02833	0.9
123.04421	43.1
127.03914	48.2
131.04935	3.5
135.04411	100.0
137.02373	3.9
139.03900	44.6
141.07045	0.9
145.06534	0.7
145.95364	0.7
149.02306	5.8
149.05986	1.9
151.03893	17.2
159.04414	2.2
161.05986	1.2
163.03905	28.8
166.57547	0.6
167.03447	0.8
169.06483	2.1
173.06012	1.8
177.05473	2.1
179.03363	1.7
185.05904	0.8
187.03864	2.1
197.06015	2.1
201.05455	1.4
205.04997	2.0
213.05499	1.3
215.07053	2.4
225.05376	0.9
229.04996	1.8
231.06563	4.3
241.05145	0.7
243.06514	2.7
259.06042	6.0
261.07571	8.5
271.06006	12.0
289.07050	15.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0706
Annotation	5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
53.03943	2.6
55.05521	2.0
57.02771	1.8
59.36454	1.8
61.69595	1.6
65.03937	5.5
67.01862	5.7
67.05494	4.8
68.99791	9.0
69.03421	4.2
69.07051	3.0
71.59618	2.2
78.00697	1.6
79.05492	5.7
81.07065	6.9
83.39946	1.5
89.03902	9.0
91.05509	3.3
93.03420	4.8
93.07082	4.3
95.04977	3.8
95.08624	5.1
107.04961	6.0
107.08592	3.8
109.10160	2.1
111.00828	3.5
111.04443	22.4
117.03381	8.7
119.08578	3.1
121.02924	3.5
121.10158	3.9
123.04428	48.0
127.03904	14.6
131.04964	4.5
135.04413	90.2
135.11746	3.3
137.02376	6.5
137.06017	2.2
139.03896	35.1
139.04884	3.2
141.06940	2.0
145.02835	10.6
148.06546	1.8
149.02362	3.9
149.06013	3.5
149.13266	2.2
151.03915	18.1
153.01830	100.0
159.04417	2.7
159.11774	1.9
161.05998	2.2
163.03902	71.2
171.02888	29.0
179.03334	8.0
185.06013	2.4
187.03946	3.1
197.05948	2.2
203.07115	1.9
208.45352	1.6
215.07021	2.3
259.06116	6.9
261.07645	4.4
271.06067	5.8
271.10913	4.0
289.06937	89.8
289.11823	3.6
289.25269	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	287.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.3
59.21817	1.5
67.05501	23.5
69.07081	8.8
70.68694	4.4
71.04976	3.2
79.05491	12.3
81.07052	27.3
83.08600	5.3
83.21835	1.7
91.05476	7.6
92.62992	1.4
93.07045	17.4
95.04967	1.7
95.08601	27.0
97.06515	6.4
97.10162	3.8
103.05472	1.5
105.07024	2.7
107.08604	8.8
109.10146	11.8
111.00790	1.8
111.08070	2.1
119.08579	4.4
121.02922	7.9
121.06474	2.2
121.10146	12.3
123.08061	2.8
123.11697	4.8
131.08575	2.9
133.10132	11.4
135.08015	3.0
135.11674	7.5
137.09625	3.4
137.13235	2.0
145.10246	2.3
147.11703	3.2
149.09656	1.8
149.13255	2.4
151.11150	3.9
151.26111	1.4
153.01790	11.0
157.06470	2.0
159.11685	3.1
165.01820	1.9
173.13257	2.2
191.17896	4.0
213.05521	3.8
215.17949	14.4
216.39894	1.7
233.18965	6.9
241.05055	1.5
246.62822	1.5
251.20071	19.6
257.53387	1.5
258.05237	3.7
287.05493	100.0
288.05862	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01871	1.7
56.05015	1.3
56.96324	1.7
56.96565	19.2
57.03423	5.3
58.06602	2.5
61.02912	5.3
65.03933	3.4
68.99777	2.5
69.03425	6.7
70.06584	5.1
70.23257	5.6
71.04972	3.1
72.08157	3.2
73.02913	4.1
77.00898	3.1
79.05473	1.5
81.03400	3.3
82.06564	2.2
82.99848	2.0
83.04974	3.0
84.04517	2.8
84.08164	1.9
84.96011	1.6
85.02904	14.0
86.09679	2.0
89.55387	1.2
90.94849	1.6
91.03866	1.2
93.03381	1.7
95.04977	2.2
97.02886	10.6
98.03116	1.7
98.97585	8.8
99.04420	2.2
101.00880	11.3
105.07012	1.9
107.04953	9.1
109.02885	4.5
111.04438	11.8
115.02417	11.3
116.98627	6.6
119.01917	100.0
120.01949	1.5
121.01628	1.8
123.04442	14.9
127.02956	2.7
127.03911	55.8
128.98572	1.8
129.04019	3.0
131.00221	1.7
131.01906	12.2
131.04884	2.1
133.03467	31.6
134.99625	5.2
135.04376	31.3
137.02971	39.9
137.04004	3.3
139.03923	13.9
143.01883	9.0
143.03378	2.3
144.99788	2.3
145.03445	5.2
146.99626	6.2
147.01396	4.1
147.04997	6.1
149.01204	2.1
149.02942	5.0
149.05963	2.8
151.02716	1.4
151.03696	2.8
151.04611	3.2
153.00648	1.4
153.01794	7.5
156.06625	2.5
157.03479	3.3
161.01466	3.2
161.02953	52.4
161.04475	4.7
162.03026	1.6
163.03865	7.9
165.00726	2.8
168.99812	6.6
170.05188	16.1
171.01451	6.2
173.02931	6.3
175.00883	2.8
175.04483	2.6
177.00714	4.1
177.05603	1.7
178.04814	2.6
178.55106	4.1
179.03922	3.9
180.99780	1.7
184.04691	2.1
185.02913	2.4
187.00856	22.8
187.04553	1.9
189.02437	17.9
190.98676	2.1
191.03998	11.5
193.00259	2.7
193.01953	2.5
195.01616	1.7
196.99347	1.7
197.03091	2.1
199.00844	9.9
201.02451	1.9
203.04024	3.1
205.00259	2.1
205.01906	6.8
206.98209	1.9
207.03433	6.4
215.00359	22.0
217.01933	28.7
217.03908	1.8
219.03523	9.1
226.07225	1.5
229.01947	5.0
231.03450	3.5
233.01395	4.2
235.02869	3.5
237.02556	2.3
237.04631	2.1
247.03004	22.1
261.07745	2.4
265.04001	10.9
271.06152	3.9
277.03973	2.3
289.04001	9.0
289.07080	6.9
297.94455	2.0
304.05695	1.4
305.12134	1.5
307.05206	8.9
307.08331	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	287.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01856	0.9
56.05005	1.4
56.59396	0.3
56.96560	2.2
57.03431	3.4
60.04528	1.8
61.02922	3.1
68.05006	1.5
68.99769	0.7
69.03427	4.1
70.06588	3.3
71.01327	0.3
71.04953	0.5
71.59220	0.4
73.02916	2.5
74.72858	0.3
81.03413	2.1
83.04980	0.4
84.04483	1.0
84.08139	0.8
85.02898	9.0
86.02410	1.0
86.03221	0.5
86.06055	2.8
87.04458	0.4
88.03983	12.7
89.00761	0.3
91.03944	0.5
97.02882	3.4
98.06029	0.4
98.97572	2.5
99.04462	0.6
100.07593	0.7
101.46222	0.3
102.05511	0.9
102.47073	0.3
104.01276	0.4
107.04938	0.7
107.90810	0.3
109.02865	1.2
110.01257	1.0
110.97555	0.7
111.00798	0.3
112.07597	5.4
113.02366	1.0
114.05520	8.4
114.16928	0.3
116.01274	0.4
116.98608	2.2
117.02027	0.6
119.01904	2.4
120.01993	0.7
121.01624	1.2
121.02885	2.0
124.07617	0.4
126.08966	0.3
127.03889	2.1
128.02289	0.7
128.07068	0.9
128.98601	1.9
130.04993	11.1
130.08636	0.3
131.01842	1.2
132.01959	0.5
133.01654	0.3
134.99626	1.3
135.03171	0.3
135.82529	0.3
137.02182	0.5
137.74538	0.4
140.07048	4.7
142.04179	0.3
142.04991	3.1
142.08633	4.3
143.00198	0.7
144.98164	0.4
144.99792	1.4
145.01591	0.5
145.04965	0.9
146.99570	1.7
149.02788	0.5
150.03075	0.6
150.05507	0.4
151.01645	0.3
151.23198	0.4
152.02304	0.9
153.00749	0.4
153.01805	2.5
155.02852	0.6
158.04492	2.2
158.08156	1.7
158.99619	0.7
161.01167	0.8
161.02914	1.0
162.03035	0.3
162.99097	0.4
163.00847	0.6
163.02708	0.8
165.01840	1.0
168.06575	1.5
169.09718	2.5
170.03302	0.5
170.99651	0.8
173.01056	0.4
173.02870	0.8
174.03038	0.4
177.00664	1.2
177.02272	0.6
179.02208	0.3
181.04958	0.3
182.03339	1.3
186.07599	100.0
187.07957	1.3
189.00702	1.5
191.00217	0.5
191.03816	1.9
197.09233	2.3
198.04669	0.4
200.04379	2.0
201.00722	0.4
206.02608	1.2
207.05283	0.4
209.04892	0.5
213.05458	1.0
215.03069	0.5
216.00737	0.4
216.05760	0.5
217.00226	0.8
219.01709	1.0
237.02907	0.5
241.11792	1.9
247.02911	0.4
248.03217	0.9
248.99261	0.4
249.02899	0.4
258.05249	0.7
260.03168	0.3
261.02756	0.4
267.00171	0.6
269.05228	0.4
269.11279	0.5
273.00906	0.4
287.05493	25.3
287.12335	26.3
288.05676	0.8
288.12585	0.7
290.04456	0.4
291.00555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
55.48938	0.3
56.05012	0.9
56.96560	1.9
57.03423	1.9
59.18262	0.3
59.69314	0.3
60.04521	1.5
61.02911	1.1
68.05018	1.4
68.99775	0.8
69.03414	1.7
70.06239	0.4
70.06585	5.4
71.04978	0.6
71.58551	0.4
71.58970	0.3
73.02888	1.2
81.03401	1.1
83.04958	0.4
84.04488	1.3
84.08131	0.5
85.02888	3.2
86.02425	0.4
86.06065	2.9
87.04448	0.3
88.03986	11.9
88.07637	0.3
91.92670	0.3
94.06480	0.4
95.04954	0.4
97.02865	1.6
98.06040	0.5
98.97563	0.9
98.98419	0.4
100.07590	0.6
102.05532	0.3
107.04932	1.5
109.02836	0.5
111.00806	0.3
112.07603	7.8
114.05519	6.9
115.05457	0.3
116.07091	0.4
116.98603	0.9
119.01817	0.8
119.04890	0.4
121.02843	1.1
122.06059	0.3
124.07527	0.3
125.05919	0.3
125.06867	0.3
127.03902	0.7
128.02292	0.9
128.07065	0.8
128.98630	0.5
129.07068	0.3
130.04994	10.0
130.08643	0.7
131.01834	0.5
134.99614	0.6
135.04378	0.4
137.02249	0.6
139.03857	0.7
140.02312	0.5
140.07054	5.7
141.03880	0.3
142.05003	3.4
142.08620	3.5
144.99802	0.6
145.04913	0.6
146.99663	0.6
147.04362	0.6
149.02296	0.7
150.03117	1.7
151.03891	0.3
152.02342	0.4
153.01837	1.5
157.06450	0.3
158.04494	1.8
158.08119	1.2
161.01155	0.4
161.02922	0.4
163.03891	0.3
165.01875	0.7
168.06622	1.7
169.09708	3.0
171.04333	0.4
175.04018	0.4
177.00687	0.7
177.04250	0.4
183.52528	0.3
185.06023	0.3
186.07602	100.0
187.01065	0.3
187.07942	1.0
189.00642	1.0
191.03891	0.6
197.09167	2.9
199.03883	0.3
200.04414	0.7
201.00659	0.4
203.03558	0.6
206.02635	0.6
213.05508	1.4
215.10289	0.3
217.00089	0.4
219.01779	0.4
223.01237	0.6
231.06543	0.9
241.04951	0.8
241.11864	1.7
245.01378	0.3
245.04434	0.6
259.05960	0.5
269.04895	0.4
269.11200	0.3
287.02133	0.6
287.05469	19.1
287.12357	25.6
288.05688	1.3
288.12726	0.4
309.00980	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0912
Annotation	2',6',beta-Trihydroxy-4'-methoxychalcone
Peak:m/z	Relative Intensity
53.03950	2.5
55.01862	0.5
55.05495	0.6
57.83969	0.3
65.03934	1.1
66.97833	0.3
67.01847	0.7
68.99428	0.4
68.99788	5.3
69.03410	0.7
70.51922	0.5
70.52299	0.6
79.05486	1.0
81.02968	0.5
81.03412	5.7
83.01339	7.3
83.04977	2.2
91.05475	3.8
93.03371	0.4
95.04949	1.3
97.02869	0.7
98.21395	0.5
105.03352	1.5
107.01311	0.3
107.04960	3.0
109.02849	0.9
111.00801	1.5
111.04421	2.4
112.27735	0.3
115.05499	0.6
119.04944	7.4
121.02868	8.8
121.03874	0.4
121.06478	1.7
123.04428	1.1
129.06990	0.6
133.02832	1.2
133.09982	0.3
135.04372	0.4
137.02345	2.3
139.03870	1.3
141.07001	0.5
143.03369	0.9
145.06490	0.9
147.04405	21.2
149.02330	0.7
153.01825	11.7
157.06485	0.9
161.05972	0.4
165.01836	4.3
167.03395	74.0
168.03745	0.7
171.04419	0.9
183.02884	1.0
184.44662	0.3
185.04451	28.0
185.05852	1.4
186.04768	0.5
189.05455	0.9
193.04977	2.1
197.06023	0.4
203.03415	0.3
203.07085	0.4
213.05400	2.9
216.04214	0.4
229.04884	0.5
231.06541	1.2
241.04964	2.1
258.05197	2.3
259.05930	1.1
269.04507	0.4
269.07877	0.3
287.05487	100.0
287.09082	37.2
288.05801	2.4
288.09241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0914
Annotation	Kukulkanin B
Peak:m/z	Relative Intensity
53.03941	0.3
55.05491	0.4
59.27201	0.2
65.03928	0.7
67.01853	0.4
68.99479	0.3
68.99792	2.4
69.03436	0.5
70.60323	0.7
70.60722	0.5
79.05486	0.8
81.03439	0.5
81.07048	0.5
83.01331	0.9
83.04987	1.1
91.05473	3.3
93.07031	0.5
95.04961	1.0
95.08615	0.5
97.02870	0.5
98.97615	0.2
103.05489	0.3
105.03390	0.8
105.07042	0.5
107.04948	3.2
109.02863	0.6
109.10175	0.3
111.00811	1.5
111.04438	0.7
119.04944	8.9
119.08584	0.4
121.02870	6.4
121.03843	0.3
121.35138	0.2
123.04433	1.6
125.02347	0.2
127.03865	0.2
128.06149	0.2
129.07051	0.5
133.02843	0.9
133.10103	0.4
135.04372	0.6
137.02322	2.2
137.05978	0.4
138.25760	0.3
143.03441	0.3
145.06485	0.7
147.04404	23.2
149.02339	0.4
153.00566	0.5
153.01825	10.6
154.02213	0.2
157.06503	1.2
159.11691	0.3
161.06033	0.5
165.01820	3.5
165.05467	0.6
167.03397	44.8
168.03806	0.4
171.04416	0.7
183.02835	1.6
185.04448	3.1
185.05998	1.2
185.13141	0.2
189.05473	0.8
193.04950	0.5
199.03891	0.4
201.16414	0.6
203.07098	0.3
213.05463	3.1
229.04956	0.5
231.06506	1.3
241.04948	1.7
258.05225	2.3
259.05948	0.6
269.04465	0.4
269.07965	0.4
287.05496	100.0
287.09088	38.4
288.05817	2.4
288.09058	0.3
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
53.03938	0.6
55.05503	1.9
56.96544	0.4
65.03938	1.1
67.05499	0.4
68.99789	1.7
69.03426	0.6
70.75791	1.1
72.19331	0.4
79.05482	0.9
81.03416	1.2
81.07027	0.4
83.01329	1.5
83.04984	2.5
85.02902	0.4
91.04961	0.7
91.05478	8.4
91.06007	0.7
95.04964	3.0
97.02872	0.8
99.80324	0.4
100.94347	0.4
105.03357	0.7
105.07035	0.4
107.04951	3.3
109.02856	0.4
111.00790	0.8
111.04434	1.0
117.07018	0.5
119.04935	20.4
121.02875	3.2
121.06474	0.4
123.04435	2.8
133.02847	0.4
137.02344	1.0
147.04399	50.9
148.04721	0.7
153.01825	5.4
157.06483	1.1
161.06038	0.7
165.01837	2.1
165.05446	0.7
167.03391	100.0
168.03722	0.7
171.04364	0.7
181.08945	0.3
183.02846	1.1
185.04439	2.1
185.05939	0.6
189.05423	0.8
193.04919	0.5
203.93330	0.3
213.05417	1.2
216.45906	0.4
216.54803	0.4
222.53899	0.3
229.05049	0.4
241.04907	0.6
245.08124	0.4
258.05145	1.0
269.04349	0.5
269.07907	0.6
287.05475	50.7
287.09079	81.8
288.05740	1.0
288.09460	1.0
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
53.03947	0.7
55.01886	0.4
55.05513	1.4
65.03939	1.0
67.01838	0.3
68.99794	1.3
69.03423	0.7
69.46210	1.3
69.46639	1.1
79.05489	0.4
81.03421	1.3
83.01344	1.2
83.04983	2.5
91.05474	8.3
95.04960	1.7
97.02898	0.7
98.21487	0.4
105.03407	0.4
107.04945	3.8
109.02835	0.3
111.00795	0.4
111.04430	1.0
119.04935	20.6
121.02859	3.3
121.06471	0.4
123.04418	2.5
125.02423	0.3
133.02876	0.5
137.02332	1.1
137.05997	0.3
147.04399	48.5
149.02321	0.6
153.01810	4.3
157.06525	0.6
165.01857	1.7
165.05489	0.9
167.03389	100.0
167.14322	0.6
168.03693	0.7
171.04449	0.4
183.02928	0.8
185.04454	2.9
185.05885	0.6
188.86089	0.3
189.05452	1.0
193.04961	0.7
195.07999	0.4
213.05428	1.6
231.06461	0.6
241.05028	0.7
245.07990	0.4
258.05219	1.0
259.05988	0.3
269.08191	0.7
287.05490	44.3
287.09091	84.5
288.05737	1.2
288.09445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
67.01873	1.7
68.99791	1.4
70.85206	0.6
79.05518	0.2
89.03922	0.7
107.04932	0.4
109.02827	0.3
111.00802	0.4
111.04426	0.4
117.03358	0.6
121.02888	0.9
129.01793	0.3
135.04399	3.6
137.02348	1.5
139.05470	0.2
147.04417	0.3
153.01819	11.9
157.06487	0.4
161.02307	1.3
165.01797	0.4
171.02896	1.1
171.04341	0.3
179.03360	0.7
185.05959	0.5
199.03870	0.2
213.05438	0.9
219.06529	0.2
231.06483	0.3
241.04924	1.5
258.05295	0.5
259.06082	0.2
269.04431	0.8
276.77643	0.2
287.05475	100.0
288.05789	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	287.0912
Annotation	pisonivanone
Peak:m/z	Relative Intensity
51.02383	0.2
53.03937	0.5
55.01864	0.6
55.05494	0.8
57.03433	0.2
59.75836	0.2
65.03925	1.1
67.01869	0.5
67.05482	0.8
68.99436	0.2
68.99791	3.0
69.03407	0.7
69.07045	0.3
71.04972	0.4
71.59369	0.2
71.59733	0.3
79.05487	1.7
81.03403	0.7
81.07057	1.2
83.01327	0.9
83.04980	1.6
88.60271	0.2
91.05475	5.3
93.03402	0.4
93.07005	0.6
94.04165	0.4
95.04963	2.1
95.08584	0.4
97.02879	0.4
97.06528	0.6
102.87103	0.2
103.05467	1.4
105.03371	1.2
105.04505	0.2
105.07036	1.4
107.04956	3.1
107.08577	0.3
109.02870	0.8
109.06512	1.1
109.10157	0.3
111.00784	1.5
111.04426	1.5
115.05459	0.7
117.06998	0.5
119.04937	9.5
119.08589	0.4
121.02858	7.9
121.03840	0.4
121.06498	2.5
121.10100	0.2
122.03618	0.5
123.04422	2.0
123.08064	0.2
124.05225	0.2
125.02299	0.2
125.05939	0.4
127.03868	0.4
129.07001	0.6
131.04933	1.1
131.08546	0.3
133.02823	0.9
133.06487	0.6
133.10094	0.5
134.03665	0.4
135.04370	1.1
135.08043	2.2
137.02345	3.7
137.05975	6.0
139.03859	0.2
139.05400	0.4
139.07471	0.2
141.06955	0.5
143.04910	0.7
145.06508	1.1
145.10046	0.3
147.04404	26.3
148.05153	0.4
149.02321	0.6
149.05981	3.7
151.03963	0.2
151.07529	2.9
152.06194	2.8
153.01825	12.5
153.06972	0.7
157.06453	2.0
161.02351	0.2
161.05948	0.9
163.03900	0.8
163.07545	4.7
165.01834	3.5
165.05585	0.4
165.06964	2.0
165.09097	0.8
166.07787	2.3
167.03394	50.3
167.08546	9.1
168.03731	0.3
169.06473	1.0
171.04361	0.8
173.05966	0.3
175.03911	0.4
175.07588	0.5
176.06195	0.4
177.05557	0.4
177.07018	1.0
177.09116	0.5
178.07797	0.3
179.03401	0.2
179.06912	0.2
179.08493	0.3
181.06459	0.8
181.10138	0.5
183.02867	1.7
183.08101	0.5
184.08865	0.6
185.04430	2.4
185.05983	1.6
186.07617	0.5
189.05484	0.9
191.03398	0.3
193.04962	0.4
194.07259	1.1
195.08057	11.9
196.08795	0.7
197.05949	2.5
199.11169	0.3
203.03450	0.5
203.07028	0.5
209.09660	1.6
211.07524	0.8
212.08299	2.2
213.05452	4.3
213.08829	0.4
214.40741	0.2
217.04936	0.4
223.04041	0.3
223.07509	3.6
223.09410	0.3
224.08284	0.4
225.05420	0.5
225.09061	0.3
227.10651	12.7
229.04982	0.6
231.06532	1.7
237.09119	0.7
239.06926	0.3
240.07857	0.7
241.04921	2.1
241.08650	0.4
241.12210	0.2
244.09453	0.3
245.04315	0.5
245.08049	0.4
255.10162	9.2
256.10883	0.5
257.04483	0.2
258.05209	2.6
259.05981	1.1
269.04465	0.7
269.08252	0.4
269.11761	0.4
269.22479	0.3
272.10535	0.3
287.05499	100.0
287.09088	39.9
287.12558	6.7
287.23590	0.6
288.05878	2.6
288.09454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.03926	0.1
53.58740	0.1
55.01858	0.1
65.03925	0.3
67.01851	0.3
68.99785	2.1
69.03413	0.2
71.00060	0.3
71.01350	0.2
79.05466	0.4
81.03404	0.3
95.01315	0.1
95.04951	0.4
97.02882	0.2
103.05430	0.1
105.03396	0.8
107.04948	0.9
109.02881	0.7
111.00798	1.5
111.04432	0.3
115.05431	0.2
117.07001	0.1
119.04936	0.2
121.02858	5.5
121.03853	0.2
127.03908	0.2
129.06998	0.2
131.04907	0.1
133.02846	0.8
133.06448	0.1
135.04422	0.3
137.02338	1.8
141.06985	0.2
143.04875	0.1
145.06474	0.4
147.04391	1.1
151.03932	0.1
153.01820	9.7
157.06483	1.0
161.02362	0.1
161.05948	0.3
165.01822	3.2
168.05721	0.1
169.06503	0.2
171.04356	0.6
177.05418	0.1
183.02885	1.6
184.05238	0.1
185.05956	1.1
189.05380	0.3
197.05956	0.3
201.05486	0.2
203.03337	0.3
203.07066	0.3
213.05455	2.5
216.04140	0.2
229.04922	0.4
231.06526	1.0
241.04924	1.4
243.06439	0.2
245.04459	0.1
257.04526	0.1
258.05234	1.9
259.05991	0.7
269.04456	0.4
287.05475	100.0
288.05811	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28197	0.1
53.03912	0.1
55.01849	0.1
62.32819	0.1
65.03933	0.4
67.01855	0.3
68.99782	2.1
69.03415	0.2
69.50816	1.0
71.01339	0.1
76.71938	0.1
79.05472	0.4
80.42570	0.1
81.03408	0.4
82.54517	0.1
88.76504	0.1
95.04941	0.4
97.02883	0.2
103.05443	0.2
105.03380	0.8
107.04946	1.0
109.02872	0.6
111.00800	1.3
111.04443	0.4
115.05431	0.2
117.07001	0.2
119.04904	0.1
121.02857	6.0
127.03901	0.2
129.06975	0.3
133.02832	0.8
135.04391	0.4
136.35081	0.1
137.02310	1.9
141.06978	0.3
145.06503	0.4
147.04373	1.2
151.03976	0.2
153.01810	9.1
154.02138	0.2
157.06465	1.0
161.05922	0.3
165.01830	3.2
171.04362	0.7
175.04062	0.2
182.34320	0.1
183.02864	1.5
185.05876	0.9
189.05408	0.1
197.06013	0.3
203.03415	0.2
203.06856	0.1
213.05431	2.8
222.29131	0.1
229.04851	0.4
231.06505	1.2
241.04979	1.7
243.06511	0.2
258.05222	1.9
259.05881	0.8
269.04434	0.3
286.04657	0.2
287.05469	100.0
288.05771	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	287.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68380	0.1
53.03946	0.1
55.01837	0.1
55.46378	0.1
62.11658	0.1
65.03933	0.5
67.01846	0.5
68.99786	2.6
69.03414	0.3
69.32108	1.1
71.01323	0.1
76.84438	0.1
79.05475	0.7
81.03399	0.3
91.05481	0.1
95.04950	0.5
97.02882	0.1
102.29974	0.1
103.05447	0.3
105.03386	1.1
107.04936	1.5
109.02858	0.9
111.00796	1.6
111.04406	0.5
112.05685	0.1
115.05424	0.2
119.04929	0.2
121.02860	8.0
127.03925	0.3
128.06238	0.3
129.06975	0.5
131.22365	0.1
133.02824	0.7
133.06523	0.2
135.04431	0.3
137.02327	2.5
141.06979	0.4
145.06442	0.7
147.04401	1.4
151.03944	0.3
153.01813	12.9
154.02174	0.1
157.06461	1.6
161.02252	0.2
161.05992	0.5
163.03857	0.2
165.01830	4.2
171.02962	0.2
171.04390	1.1
175.03879	0.2
183.02884	1.9
183.04352	0.1
185.05978	1.3
185.07497	0.2
189.05475	0.3
194.02086	0.1
197.05957	0.3
203.03435	0.2
203.07024	0.3
204.24236	0.1
213.05452	3.7
216.04106	0.2
217.04971	0.1
229.04858	0.6
231.06482	1.5
241.04921	1.9
242.05914	0.1
243.06512	0.2
245.04356	0.1
258.05240	2.4
259.06064	1.1
269.04388	0.5
287.05469	100.0
288.05759	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	287.0546
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.72274	0.1
53.95074	0.2
61.00605	0.2
65.03918	0.5
67.01837	0.5
68.99789	2.2
69.03409	0.2
69.31138	1.1
69.31566	0.7
77.13504	0.2
79.05481	0.4
81.03401	0.3
95.04971	0.4
105.03372	0.9
107.04954	1.0
109.02859	0.6
111.00801	1.3
111.04421	0.5
115.05456	0.3
121.02853	6.2
127.03880	0.2
128.06163	0.2
129.07002	0.4
133.02847	0.7
135.04373	0.4
137.02328	2.0
141.06989	0.3
145.06482	0.7
147.04385	1.2
153.01811	10.6
154.02208	0.3
157.06454	1.2
161.05963	0.4
165.01823	3.3
165.03223	0.2
170.42284	0.2
171.04337	0.5
183.02856	1.7
185.05980	1.2
189.05453	0.4
197.05981	0.3
201.05379	0.3
203.07138	0.3
213.05444	3.2
229.04866	0.4
231.06474	1.0
241.04890	1.3
242.05550	0.2
258.05243	2.6
259.05981	1.0
269.04462	0.4
287.05466	100.0
288.05865	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	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.2
58.10649	0.1
58.70319	0.1
65.03934	0.2
66.92162	0.1
67.01856	0.5
68.99427	0.2
68.99783	2.0
69.03412	0.3
71.01306	0.2
71.38206	0.1
71.51213	0.2
74.51553	0.1
79.05479	0.5
81.03407	0.3
81.07052	0.1
89.03876	0.2
89.13009	0.1
91.05480	0.3
95.04947	0.3
97.02884	0.1
103.05450	0.4
105.03374	0.9
105.07012	0.2
107.04948	1.2
109.02861	0.6
111.00803	1.4
111.04437	0.5
115.05428	0.3
117.06944	0.2
119.04890	0.2
121.02857	5.3
121.03851	0.2
121.04043	0.2
121.06483	0.5
123.04388	0.1
127.03873	0.3
129.06989	0.2
131.04889	0.4
133.02806	0.9
135.04414	0.8
135.08035	0.5
137.02342	2.0
137.05046	0.2
137.05942	0.8
141.06947	0.4
145.06531	0.6
147.04408	1.3
149.05975	0.8
151.07478	0.6
152.06209	0.5
153.01817	10.8
155.06064	0.1
157.06465	1.3
161.02332	0.2
161.05962	0.3
163.03893	0.3
163.07520	1.0
165.01833	2.7
165.07005	0.3
165.09067	0.2
166.02481	0.1
166.07765	0.4
167.08543	1.5
169.06483	0.2
171.02882	0.4
171.04404	0.8
175.03841	0.1
177.07021	0.2
179.03323	0.1
183.02882	1.3
184.08762	0.2
185.05952	1.1
189.05431	0.2
194.07262	0.2
194.09164	0.1
195.08032	2.0
197.05963	0.6
199.03871	0.1
203.03360	0.1
203.07016	0.4
209.09717	0.2
212.08255	0.4
213.05457	3.4
213.07446	0.2
216.04343	0.1
223.07512	0.5
227.10645	2.5
229.04924	0.3
231.06480	1.1
240.07809	0.1
241.04919	1.6
242.05708	0.1
255.10136	1.9
258.05240	1.8
259.06094	0.7
269.04382	0.5
287.05475	100.0
288.05841	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	287.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01860	0.2
55.05517	0.1
58.74506	0.1
62.66202	0.1
65.03925	0.4
67.01845	0.3
68.99431	0.2
68.99789	2.2
69.03420	0.2
70.88887	0.3
71.01357	0.1
79.05495	0.6
81.03398	0.4
81.07049	0.2
91.05466	0.3
93.03359	0.1
94.04158	0.1
95.04946	0.4
97.02900	0.2
103.05448	0.2
105.03386	1.0
105.06990	0.1
107.04952	1.5
109.02874	0.8
111.00789	1.5
111.04408	0.4
115.05422	0.3
117.06979	0.1
119.04958	0.3
121.02859	7.2
123.04369	0.1
125.02308	0.1
127.03913	0.2
128.06233	0.2
129.06989	0.5
133.02835	0.8
135.04398	0.4
135.08055	0.1
137.02332	2.9
141.06982	0.3
145.06468	0.6
147.04401	1.5
149.02271	0.2
151.03889	0.2
153.01817	10.9
154.02179	0.1
157.06480	1.6
161.02324	0.1
161.05902	0.5
163.03923	0.2
165.01828	3.7
165.03207	0.2
166.02444	0.1
169.06458	0.2
171.04312	0.6
173.05846	0.1
175.03850	0.2
175.07460	0.1
183.02895	1.8
184.05165	0.1
185.05949	1.3
189.05460	0.4
197.05945	0.3
199.03931	0.2
203.03407	0.2
203.07042	0.4
212.04611	0.1
213.05457	3.8
216.04167	0.2
217.04991	0.2
220.81784	0.1
225.05344	0.1
229.04938	0.4
231.04361	0.1
231.06499	1.6
241.04924	1.9
242.05765	0.2
243.06555	0.3
245.04337	0.1
258.05219	2.5
259.05960	1.0
269.04379	0.5
287.05472	100.0
288.05823	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03927	0.2
56.20117	0.2
56.75093	0.2
58.21135	0.2
65.03928	0.2
67.01867	0.3
68.99493	0.2
68.99792	2.0
69.03407	0.3
70.01215	1.0
78.01246	0.2
79.05466	0.5
81.03396	0.5
90.09206	0.2
91.05512	0.2
95.04960	0.6
105.03385	0.8
107.04964	1.1
109.02859	0.6
111.00824	1.3
111.04426	0.6
121.02861	6.5
129.06960	0.3
131.04843	0.2
133.02824	0.8
133.06555	0.2
134.67522	0.2
135.04430	0.5
137.02351	2.0
137.45700	0.2
139.05467	0.2
145.06462	0.6
147.04370	1.2
153.01814	10.1
154.52553	0.2
157.06468	1.2
161.05923	0.4
165.01840	3.2
171.02998	0.3
171.04407	0.6
183.02888	1.3
185.05927	1.2
203.06976	0.2
213.05467	2.7
229.04890	0.4
231.06461	1.1
241.04861	1.6
258.05194	2.1
259.06088	0.9
269.04456	0.5
287.05472	100.0
288.02792	0.4
288.05777	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
55.01844	1.9
55.05506	14.8
57.03429	21.7
67.05495	37.8
69.03381	2.5
69.07069	17.9
71.04976	6.0
71.59538	2.1
71.60012	3.3
79.05494	19.8
81.07050	100.0
83.04974	8.2
83.08614	10.4
85.02921	2.3
85.06548	6.6
91.05470	25.6
93.07036	15.0
95.04945	4.8
95.08590	20.9
97.06525	8.6
99.08089	4.0
105.07021	37.1
107.08600	13.0
109.06510	5.1
113.06004	3.1
117.06962	2.4
119.08571	30.1
121.10141	15.5
123.08074	3.6
123.11697	31.1
127.07581	4.9
146.20689	2.1
147.11673	66.4
157.10114	2.8
165.12750	38.0
175.11151	5.5
183.13879	2.8
211.13235	2.9
229.14330	5.3
230.39346	2.4
285.16846	40.3
285.29965	3.4
285.33237	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	286.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.6
55.05497	2.6
56.96563	9.2
57.03431	2.5
57.28082	1.4
59.04987	2.8
61.02923	8.8
65.59516	1.5
69.03409	4.5
70.06588	37.9
70.19476	4.6
71.04987	7.4
72.08130	1.9
73.02898	2.1
79.05480	4.9
81.03403	2.3
81.07047	12.8
82.05341	2.1
83.04976	3.1
83.06096	10.0
85.02914	7.2
93.04515	5.5
95.06084	17.9
97.02865	5.9
98.21353	1.9
98.97549	4.8
107.04929	2.5
107.06069	3.6
109.02859	3.3
110.07156	100.0
111.05548	3.0
112.07600	31.2
112.08408	2.0
112.08733	2.5
116.98587	5.7
121.02847	5.4
121.07563	1.9
124.03954	19.9
124.08629	1.4
127.03896	2.1
130.04964	2.6
134.99652	2.8
136.07550	1.6
137.02312	2.8
137.04520	1.4
140.07060	21.7
146.99677	2.6
147.03151	1.9
147.04402	3.1
147.07671	1.5
149.02336	2.0
153.00887	1.6
153.01859	16.5
153.03020	2.4
154.07205	4.5
156.07660	13.9
161.01274	3.1
163.12294	59.0
165.01816	2.9
186.07614	6.6
190.13396	7.8
193.13303	2.0
199.05432	10.4
207.05215	1.9
208.06052	1.9
208.14415	11.8
213.05490	5.1
236.13976	7.0
237.02792	2.6
240.17085	7.8
254.14986	22.3
258.05026	2.3
280.99805	2.6
286.09225	3.9
286.17609	67.2
287.05536	84.0
287.10880	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01859	5.5
55.05509	28.4
55.91740	2.0
57.03436	51.0
57.07058	2.9
60.74147	2.1
65.03933	2.6
67.05170	2.7
67.05503	44.0
69.03407	7.5
69.07082	11.6
69.38724	5.0
69.39130	17.0
69.56100	2.1
70.35243	2.2
71.04996	13.9
79.05058	2.9
79.05490	46.3
81.03416	87.6
81.07053	55.7
83.04983	21.7
83.08617	32.9
85.02905	100.0
85.06528	2.5
88.86516	1.9
91.04962	3.8
91.05479	51.2
93.07041	28.3
95.04972	42.6
95.08617	20.5
97.02874	5.9
97.06523	6.4
97.10133	3.7
99.08070	3.0
105.06390	3.0
105.07032	34.6
107.04942	8.1
107.08593	10.1
109.06552	10.6
109.10141	6.7
111.04402	3.0
111.08076	20.5
113.06002	8.0
117.06999	2.5
119.08577	30.5
121.10131	16.1
123.02704	2.2
123.08026	4.4
123.11717	5.5
129.06990	16.5
131.08543	15.2
133.10133	16.9
137.09592	3.7
142.07761	3.3
145.10109	3.1
147.08031	5.2
147.11676	25.1
149.09612	8.5
157.10126	22.3
163.11037	2.1
165.12759	4.3
175.11182	31.4
193.12236	93.0
211.13284	65.2
249.39702	2.2
266.08374	2.2
285.16937	69.0
285.21942	2.9
285.30151	2.3
285.33560	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	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.3
55.05511	17.5
57.03434	23.5
57.07064	2.4
59.05005	1.5
65.03927	1.7
67.05501	39.2
69.03434	1.7
69.07063	19.9
71.04996	5.8
71.59695	1.8
79.05049	2.1
79.05486	24.3
81.03394	2.6
81.07053	100.0
82.07388	1.2
83.04975	7.3
83.08616	9.9
85.02898	2.2
85.06541	6.5
87.04436	1.3
91.05479	34.5
91.31854	1.0
93.07047	15.0
95.04967	3.7
95.08598	26.8
97.06511	8.4
97.10127	2.5
99.04441	1.2
99.08079	4.6
101.06030	1.5
105.07022	40.3
107.08593	13.1
109.06492	5.5
109.10142	2.1
111.08072	1.8
113.05967	2.5
114.51976	1.1
117.07042	1.4
119.08575	32.3
121.10136	21.1
123.08083	5.6
123.11700	28.4
127.07542	4.2
129.07004	3.5
131.08528	2.7
133.10086	4.3
135.11667	1.2
137.13226	2.9
141.06927	1.2
141.09099	1.5
145.10120	2.1
147.11681	75.4
155.01912	3.5
157.10123	4.0
165.12750	33.4
171.01405	13.7
175.11206	4.7
183.13791	4.0
193.12221	3.6
211.13258	1.6
229.14319	6.0
237.09648	2.5
267.15771	2.6
284.33173	1.8
285.03964	2.6
285.16937	43.1
285.21912	2.1
285.29956	2.4
285.33398	4.7
303.18039	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.8
55.01870	5.1
55.05512	29.1
57.03434	58.1
57.07051	3.9
65.03932	3.8
67.05501	49.7
69.03404	4.2
69.07045	11.3
70.85320	6.7
71.04978	9.9
71.40828	2.1
79.05489	40.5
81.03414	85.1
81.07057	52.9
83.04973	21.0
83.08141	2.7
83.08617	34.7
85.02902	100.0
85.06509	2.4
91.04963	3.8
91.05480	51.2
93.07043	34.0
95.04957	43.8
95.08603	24.5
97.02888	6.3
97.06514	5.9
97.10167	3.8
98.20779	2.1
101.88891	2.3
105.07021	42.8
107.04933	7.8
107.05615	2.4
107.08597	14.8
109.06508	10.7
109.10158	5.4
111.08076	19.0
113.05997	8.2
119.08580	28.9
121.10143	18.6
123.08094	5.7
123.11683	7.3
129.06987	16.5
131.08559	19.0
133.06546	2.7
133.10144	17.1
142.07761	5.4
147.08107	3.4
147.11700	23.3
149.09633	9.6
157.10132	23.7
165.12746	8.3
175.11168	28.0
193.12234	98.9
211.13277	78.5
222.96541	2.2
285.16919	64.5
296.31070	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60566	1.9
53.03933	4.8
55.01857	3.5
55.05511	28.4
57.03436	57.1
67.05500	44.0
69.03426	7.1
69.07066	15.3
70.80023	3.7
71.04984	12.9
79.05046	3.1
79.05489	37.6
81.03416	88.7
81.07053	54.0
83.04978	18.2
83.08609	33.2
85.02904	96.9
85.06519	4.0
88.10551	2.3
91.05476	53.4
93.07050	26.0
95.04966	42.3
95.08600	22.0
97.02878	4.9
97.06538	7.6
97.10173	4.2
99.08062	3.5
103.03958	2.1
105.06383	3.0
105.07030	42.2
106.67429	2.1
107.04951	9.7
107.08592	14.5
109.06502	11.5
109.10128	5.2
111.04424	2.4
111.08079	18.3
113.05989	8.1
117.07030	3.0
119.04891	2.2
119.08588	29.7
121.10139	20.1
123.08044	7.8
123.11685	7.7
129.06992	19.6
131.08580	17.8
133.06480	4.1
133.10127	17.8
137.09564	3.2
142.07784	4.4
147.08052	7.2
147.11674	31.8
149.09613	11.2
157.10124	22.6
165.12767	6.3
175.11148	25.2
193.12241	100.0
211.13277	70.5
285.16937	58.0
285.21774	2.8
285.29559	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
55.01852	3.0
55.05507	27.3
55.49331	2.4
57.03436	57.3
62.66143	2.0
65.03934	2.6
67.05170	3.2
67.05504	42.5
69.03420	6.2
69.07073	10.7
71.04983	12.3
71.59924	3.4
78.53237	2.4
79.05491	41.8
81.03413	94.6
81.07054	53.3
83.04984	18.1
83.08614	40.5
85.02901	88.9
85.03424	3.4
85.06543	3.9
91.05473	51.6
91.14645	2.3
93.07033	24.4
95.04968	44.0
95.08593	18.3
95.84459	2.5
97.02876	5.0
97.06530	7.2
97.10159	3.5
105.06369	3.9
105.07023	41.8
107.04959	11.3
107.08581	10.4
109.06491	7.0
109.10137	4.1
111.04456	3.6
111.08089	22.4
113.05994	8.6
117.06954	4.3
119.08581	31.7
121.10156	22.8
123.08105	4.0
123.11699	4.6
124.01433	2.2
127.07542	2.4
129.07040	10.9
131.08543	15.5
133.06470	5.7
133.10117	14.9
135.04402	2.5
145.10104	2.6
147.07979	4.2
147.11674	33.1
149.09593	10.8
157.10136	20.7
165.12764	8.3
175.11194	28.8
184.20697	2.5
193.12231	100.0
201.12979	2.5
211.13272	76.8
285.16913	58.7
285.21860	4.2
285.29944	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01867	1.9
55.05261	1.1
55.05511	14.9
57.03433	21.9
65.03933	1.6
67.05502	33.8
69.03404	1.5
69.07060	21.3
69.56157	6.2
71.04988	7.8
73.06522	0.8
79.05046	1.5
79.05484	17.7
80.51691	0.9
81.07050	100.0
82.55603	0.9
83.04975	7.7
83.08612	9.1
85.02896	1.6
85.06520	6.6
87.89543	0.8
91.05479	25.4
91.53890	1.0
93.07052	14.0
95.04965	2.6
95.08597	21.1
97.06520	6.2
97.10165	1.4
99.04438	1.1
99.08099	5.4
99.53816	1.0
101.06004	2.1
105.07020	37.7
107.08589	13.1
109.06503	5.4
109.10134	1.5
111.08067	1.3
113.05988	2.5
119.08573	31.4
121.10132	20.3
123.08045	4.3
123.11693	30.1
127.07576	4.4
129.07013	1.9
131.08583	1.6
133.06583	0.9
133.10095	3.3
137.13226	3.0
147.11678	80.1
157.10094	4.3
165.06862	1.0
165.12743	42.1
175.11180	3.0
183.13777	5.0
193.12242	3.3
200.19302	1.0
221.06067	0.9
224.04527	0.8
225.09160	1.6
229.14255	4.5
253.08580	1.9
267.15836	4.2
267.18433	1.2
280.89972	1.0
285.16946	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.9
55.01853	2.5
55.05507	18.1
57.03191	1.6
57.03434	20.7
59.49343	1.3
65.03929	1.4
67.05171	2.5
67.05501	36.7
69.07063	19.9
69.95042	4.9
69.95452	4.3
70.17554	1.6
71.04993	10.1
75.36680	1.3
75.86887	1.4
79.05493	20.7
81.03419	10.2
81.07055	100.0
83.04981	8.9
83.08629	13.1
85.02895	5.1
85.06522	7.6
91.05476	28.8
93.07040	14.3
95.04984	8.4
95.08602	22.6
97.06548	8.0
99.08095	5.1
105.07021	35.4
107.04935	2.2
107.08587	11.9
109.06506	6.6
109.10113	2.0
111.08070	2.7
113.06036	1.6
117.07002	1.7
119.04937	3.3
119.08571	31.1
121.02866	2.5
121.10134	23.9
123.08047	6.2
123.11706	34.5
127.07518	2.9
129.06984	3.2
131.08496	2.7
133.10117	4.5
137.13261	1.9
147.11679	83.7
148.11996	1.9
149.09688	1.8
157.10121	5.0
163.03842	4.0
165.12750	39.6
167.03413	4.1
175.11179	4.0
183.13791	4.5
193.12241	7.6
207.08981	1.5
211.13353	3.8
229.05022	2.8
229.14429	6.5
253.08554	3.4
257.04434	3.6
267.15881	4.8
285.03995	6.3
285.07559	53.2
285.10681	2.2
285.16934	44.1
285.21826	2.2
286.04837	2.3
286.08145	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.9
55.01862	1.8
55.05509	14.6
56.32932	0.9
57.03437	18.2
57.07072	1.0
59.92732	0.8
63.61011	0.7
65.03917	1.1
67.05502	29.1
69.03423	1.3
69.07066	17.5
69.96311	3.1
69.96722	1.7
71.04994	6.5
76.45940	1.0
79.05495	19.4
81.07056	100.0
82.07396	1.3
83.04979	7.2
83.08619	9.2
85.02917	1.4
85.06538	7.3
91.04881	1.2
91.05476	25.4
93.07047	12.1
95.04968	3.8
95.08609	19.8
95.09219	1.1
97.06535	7.4
97.10172	1.5
98.21408	0.8
99.04459	0.7
99.08092	5.2
101.06022	0.8
105.07027	35.1
107.08592	11.1
109.06509	4.5
109.10134	2.1
111.08062	2.3
113.05992	2.0
119.08577	30.4
121.10136	19.4
123.08060	4.1
123.10809	1.4
123.11706	30.1
127.07549	3.8
129.07010	1.6
131.08586	1.8
133.10126	2.0
137.09592	1.2
137.13287	2.7
141.09116	1.4
147.11682	79.5
157.10138	3.3
161.06091	0.9
165.12758	42.0
175.11200	3.9
183.13811	6.0
193.12233	2.7
211.13280	1.0
216.98474	0.9
221.05933	1.4
225.09035	1.5
229.14304	6.9
250.87877	0.9
253.08516	2.8
267.15915	3.5
285.11594	2.0
285.16977	44.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03943	4.2
55.01859	5.4
55.05506	25.8
57.03435	50.9
57.07054	1.7
59.04983	1.9
65.03935	2.3
66.01074	1.8
67.05499	36.7
69.03418	6.9
69.07055	11.9
69.86147	6.6
69.86555	3.4
71.05003	13.4
79.05485	34.0
81.03415	93.5
81.07053	45.1
83.04985	17.8
83.08141	2.6
83.08613	35.9
83.09103	2.7
85.02900	91.3
91.05474	48.7
93.07038	27.7
95.04963	39.9
95.08606	21.5
97.02911	3.3
97.06509	6.5
97.10136	4.0
99.08030	1.8
100.04097	1.7
105.07023	30.8
107.04919	10.5
107.08578	12.3
109.06499	7.0
109.10134	5.5
111.04441	2.4
111.07333	2.7
111.08073	21.2
113.06003	6.2
119.08573	31.9
121.10140	16.3
123.08051	5.2
123.11713	3.8
125.06057	1.8
129.06981	15.4
131.08569	15.1
133.06436	4.0
133.10110	16.6
137.09633	2.8
142.07773	4.4
145.10106	3.1
147.08025	3.6
147.11688	28.2
149.09628	11.9
157.10135	19.7
165.12733	7.6
171.01405	3.5
175.11177	24.9
193.12238	100.0
211.13280	72.0
229.14276	2.1
267.15851	2.3
285.04202	2.6
285.07413	2.3
285.16940	61.3
285.29932	3.0
285.33429	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03935	6.8
55.01863	5.4
55.05512	29.6
57.03434	54.6
65.03936	3.5
67.05497	50.0
68.99795	2.1
69.03413	5.7
69.07051	11.9
69.50137	6.2
69.50551	12.7
71.04983	15.4
77.07746	2.0
79.05486	47.3
79.05883	1.7
81.03413	100.0
81.07047	53.2
83.04968	19.6
83.08617	36.7
85.02898	82.2
85.03336	2.1
85.03416	3.8
85.06544	5.3
91.05474	59.0
93.07034	31.7
95.04961	47.1
95.08596	21.4
97.02863	4.3
97.06523	9.3
97.10186	5.0
99.08096	3.0
101.91909	2.3
105.07023	39.5
107.04945	9.7
107.08593	10.7
109.06509	7.7
109.10155	5.3
111.04434	4.9
111.08070	19.7
113.05980	9.5
117.06995	3.1
119.08573	36.1
121.10123	18.8
123.08076	7.8
123.11671	6.4
129.06973	16.7
131.08568	19.6
133.06464	5.8
133.10094	15.5
137.09616	4.0
142.07782	6.7
147.08028	5.2
147.11665	32.3
149.09584	10.4
157.10120	28.4
161.05988	2.8
163.03900	5.2
163.11235	2.7
165.12791	5.4
175.11171	31.6
193.12225	92.8
201.05545	2.8
211.13274	65.7
229.04948	4.8
229.08675	6.9
253.08664	4.5
257.04507	6.5
257.08209	4.7
267.15903	6.4
285.03937	20.7
285.07214	3.5
285.11377	5.3
285.16956	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	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
55.01858	7.1
55.05507	27.6
55.98336	1.8
56.96563	1.9
57.03433	54.9
59.04972	2.5
67.05172	2.8
67.05501	39.8
69.03428	8.7
69.07066	10.6
69.30544	10.5
69.30966	8.1
71.01337	1.9
71.04982	12.0
72.50858	1.7
73.24553	1.9
77.71971	1.9
79.05491	41.8
81.03414	97.7
81.07052	55.9
83.04990	18.3
83.08613	33.1
85.02898	94.6
85.06560	4.2
91.05478	50.3
93.07043	26.5
95.04967	45.9
95.08599	22.9
97.02881	7.7
97.06511	7.9
97.10157	2.9
99.08064	2.5
105.06377	3.0
105.07027	42.9
107.04947	9.6
107.08591	13.9
109.06532	8.8
109.10133	5.8
111.04440	3.5
111.08067	21.8
113.05987	7.2
115.05458	2.2
117.07001	2.8
119.04893	3.2
119.08579	31.8
121.06472	2.9
121.10139	17.0
121.86838	1.9
123.08040	8.4
123.11708	4.6
125.09624	2.1
127.03992	1.7
127.07580	2.5
128.06197	2.3
129.06981	19.2
131.08569	18.4
133.06488	4.1
133.10132	13.8
135.04381	4.1
135.08099	2.0
135.11586	2.2
137.09595	2.4
137.13229	2.2
141.01865	3.4
142.07741	3.5
145.10085	2.9
147.08031	3.8
147.11676	25.9
149.09586	13.5
153.01797	7.8
157.10126	21.1
161.05977	4.6
163.03932	15.0
163.11209	2.8
165.01831	27.0
165.07005	5.5
165.12726	7.1
167.03448	2.3
171.01416	2.3
175.11162	28.0
181.06528	2.9
183.02879	36.4
191.03407	2.0
193.06509	3.6
193.12238	100.0
210.06770	5.6
211.13289	64.6
220.67104	2.1
221.05919	5.3
225.09058	6.7
229.08606	16.6
253.08459	10.5
257.08023	8.3
267.15836	7.6
285.03931	6.2
285.07535	23.6
285.11172	10.9
285.16904	62.2
285.21838	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38793	0.7
53.03930	3.9
54.23771	0.8
55.01855	3.0
55.05508	11.3
56.96561	7.9
57.03181	1.1
57.03434	15.1
57.07062	1.1
61.02940	1.1
65.03914	1.4
65.50320	0.9
67.05165	1.2
67.05502	16.4
68.99779	1.4
69.03431	4.5
69.07063	4.4
69.07375	0.9
71.04996	5.7
73.02905	3.9
79.05491	15.5
81.03413	100.0
81.07054	18.7
83.04979	8.5
83.08137	1.3
83.08616	22.8
84.96027	1.9
85.02894	18.7
85.06532	1.1
91.05476	23.7
93.07030	9.4
95.04966	30.3
95.08595	6.0
97.02882	7.5
97.06499	1.9
97.10164	2.2
98.97569	3.2
99.08090	1.1
100.11290	0.9
105.07028	13.0
107.04955	7.2
107.08585	4.8
109.06516	4.5
109.08600	0.9
109.10137	1.8
111.00599	0.9
111.04418	3.3
111.08080	12.4
113.05978	1.4
115.05431	2.2
116.06246	1.1
116.98634	2.8
117.07037	1.8
119.04907	1.9
119.08581	13.9
119.54238	0.8
121.02831	3.5
121.06445	1.4
121.10140	6.8
123.08032	1.5
123.11707	1.5
127.03878	1.1
128.98601	4.0
129.07010	9.0
131.04910	1.0
131.08572	8.4
133.06479	3.3
133.10127	5.0
134.99635	1.6
135.08083	0.9
137.09630	1.2
142.07787	2.8
145.02837	1.3
145.10109	1.8
146.99600	5.3
147.08063	3.5
147.11652	10.1
149.09634	4.0
153.01797	2.6
155.04890	1.1
157.10123	13.2
158.99614	1.3
161.01295	3.2
161.05925	2.2
162.99132	0.9
163.03888	2.1
165.01833	2.5
165.06993	2.6
165.12726	3.3
167.03387	5.9
167.76888	1.0
170.99651	1.4
173.01256	1.2
175.01491	2.8
175.11176	14.8
177.00630	1.6
183.02892	1.3
183.04411	1.1
183.08145	1.0
189.01166	1.1
193.06444	2.1
193.12233	49.2
210.06709	1.8
211.09834	0.9
211.13274	16.8
221.05927	3.3
225.09023	4.5
229.04958	3.9
237.02663	1.1
244.03056	1.8
249.14819	1.0
253.03627	12.8
253.08519	7.4
253.53741	1.6
257.04449	6.0
258.05005	1.2
262.04138	10.4
262.54300	2.9
264.54501	1.9
267.10300	0.9
267.15860	9.6
283.05963	1.3
285.03976	7.1
285.07565	63.8
285.11118	6.7
285.16760	9.9
286.04666	3.4
286.07910	3.2
287.02271	1.1
287.05469	19.9
288.05826	3.5
299.07214	1.0
303.05066	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	285.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57683	1.0
55.01862	4.3
57.03440	5.4
58.69786	1.0
59.29111	1.2
62.42610	0.9
65.03945	1.5
67.05492	1.4
69.07028	1.1
70.06578	1.3
70.84874	3.7
75.25671	1.1
78.04715	1.2
79.05499	5.9
80.06250	1.0
81.07063	2.4
83.04980	1.2
84.08117	1.6
85.02878	1.1
91.05482	21.3
93.07056	2.9
95.04958	3.9
97.06515	1.1
97.45067	1.2
103.05454	6.6
105.03384	3.9
105.07030	15.1
106.04157	3.4
107.04947	13.0
109.06511	3.9
115.05445	4.7
118.04166	2.7
119.04941	25.7
120.08110	1.4
121.02884	1.4
121.06492	10.3
123.04420	4.6
123.08073	2.6
125.02412	1.5
125.06008	2.5
131.04956	2.5
132.05739	1.5
133.06493	17.3
134.03636	4.5
135.04427	8.6
135.08049	1.3
136.05260	5.6
137.05966	3.6
139.03889	3.2
139.07532	1.4
140.04692	10.4
146.03546	1.1
147.04405	8.4
149.05986	16.9
151.03969	2.2
151.07538	14.5
153.05464	100.0
154.06102	1.8
156.08408	1.6
161.05978	31.6
163.03915	3.1
163.07458	1.4
165.05463	2.3
165.06915	2.4
167.07045	18.1
168.07820	78.9
173.05984	1.2
177.05452	3.4
178.06267	1.1
179.07072	9.0
181.04985	1.3
181.08585	5.6
193.06799	1.6
193.08597	39.2
196.07307	71.8
197.07645	1.4
202.97006	1.1
205.05017	2.2
209.08080	5.3
210.11255	1.7
211.07791	1.8
211.09641	43.5
228.09756	1.1
229.08659	2.5
231.06674	1.6
239.11029	1.1
249.07585	1.6
253.08597	3.3
257.08151	3.1
285.07516	9.3
285.11282	5.2
290.25412	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.5
55.01851	3.1
55.05512	11.4
57.03437	17.0
57.24428	1.8
67.05502	19.3
68.99785	5.3
69.03423	5.2
69.07066	9.0
69.36987	11.3
69.37418	7.6
71.04978	6.8
78.18188	1.9
79.05490	22.7
81.03416	79.4
81.07045	26.3
83.04989	10.4
83.08618	21.0
85.02898	25.0
91.05477	24.7
93.07024	15.7
95.04961	27.8
95.08581	9.3
97.02873	5.0
97.06522	6.4
97.10184	2.7
98.54471	1.9
99.08170	2.0
100.63941	1.7
103.05440	2.6
105.07034	21.5
107.04970	12.8
107.08596	9.4
108.21459	2.0
109.06523	7.1
109.10141	3.0
111.04425	4.3
111.08079	12.3
112.10423	1.9
113.06048	2.3
115.05479	2.8
117.07043	6.4
119.04916	2.0
119.08591	16.8
121.02868	2.4
121.06516	3.9
121.10152	7.8
123.04408	3.9
123.08070	8.7
123.11739	2.7
125.05988	2.0
128.06215	2.5
129.07018	6.4
131.04941	7.9
131.08551	9.1
133.06454	4.7
133.10100	10.0
135.04396	1.8
137.06001	2.0
137.09575	3.3
145.06494	5.7
146.03600	2.3
147.04407	2.7
147.08081	2.4
147.11678	11.1
149.09569	4.7
151.07506	2.2
153.01790	2.2
153.06935	3.0
153.09018	2.4
155.04921	8.3
157.10118	11.0
161.05988	11.9
165.07022	16.9
165.12814	5.4
173.05960	6.2
175.11215	13.8
181.05014	2.6
181.06502	4.5
182.07245	5.7
183.04427	3.3
187.03975	3.2
193.06490	8.9
193.12230	49.9
195.08092	2.9
201.05438	15.7
201.07022	2.2
209.05969	3.2
210.06767	11.0
211.03865	2.6
211.07619	3.5
211.13281	26.0
213.05498	2.3
221.06020	13.7
223.07491	1.8
224.08348	3.0
225.09100	31.4
225.38644	2.1
227.06979	3.9
229.04973	34.0
231.13702	2.4
238.06306	4.1
239.03479	4.4
239.07068	4.0
241.16374	2.1
242.09317	2.2
252.07829	2.3
253.08583	30.5
254.09103	2.5
255.06474	2.5
257.04456	24.4
267.10211	4.3
267.16013	10.2
270.09058	4.7
285.03976	100.0
285.07541	11.0
285.11148	50.3
285.16837	24.7
286.04428	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	285.0756
Annotation	Oroxylin A
Peak:m/z	Relative Intensity
55.01859	0.2
55.05497	0.3
57.03411	0.5
67.01871	1.1
67.05498	0.7
68.99772	0.6
69.03388	0.1
69.07055	0.4
70.66418	0.2
70.66743	0.3
79.05478	0.6
81.03430	0.9
81.07056	0.7
83.01325	0.4
83.04977	0.3
83.08625	0.3
85.02889	0.6
91.05489	1.7
91.19458	0.1
93.07053	0.4
95.04941	0.4
95.08608	0.3
97.02908	0.2
97.06546	0.2
105.07038	0.5
107.08582	0.2
111.04423	0.2
111.08068	0.2
119.04940	4.0
119.08583	0.4
121.02872	2.2
123.11691	0.2
128.06311	0.1
131.04932	0.2
131.10545	0.2
139.03841	0.2
141.01782	0.2
145.02829	1.2
147.11629	0.3
149.02271	0.2
153.06953	0.2
155.08630	0.2
157.10150	0.2
161.03065	0.2
163.03909	0.8
165.01807	1.5
165.07021	0.4
167.03403	8.0
169.06502	0.2
183.02904	1.1
185.04453	0.3
187.03905	0.3
193.06334	0.2
193.12260	0.4
197.05977	0.6
211.07565	0.2
211.13290	0.5
221.06013	0.2
225.09032	0.3
229.04982	0.2
239.07031	0.4
243.06383	0.2
247.06001	0.6
253.08624	0.4
257.08130	0.8
270.05145	0.3
283.06021	2.8
284.06760	0.2
285.07559	100.0
286.07883	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	284.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94302	0.3
55.01860	0.5
55.05492	1.7
56.05042	0.4
56.96526	0.4
57.03409	0.4
57.07048	0.6
60.18303	0.3
61.52888	0.3
62.31771	0.3
67.05482	1.3
69.03407	0.6
69.07045	1.7
69.25831	3.6
70.02946	3.1
70.06592	0.5
72.04513	0.4
72.08128	0.4
74.06055	0.4
79.05498	3.3
79.79006	0.3
80.05016	0.4
80.44170	0.4
81.03406	0.4
81.07057	3.0
82.06563	0.7
83.08578	1.2
88.03964	1.5
90.05522	0.5
91.05466	1.2
93.07033	5.4
94.06554	1.1
95.04955	0.7
95.07313	0.5
95.08587	2.6
96.08119	0.6
98.06039	0.8
98.21456	0.7
105.07001	0.9
107.04930	0.5
107.08598	2.7
108.07417	0.6
108.08113	8.4
109.08901	1.1
109.10123	1.1
110.06026	0.7
110.09652	1.1
111.04379	0.4
112.92657	0.3
116.03429	0.7
118.05010	0.6
119.08569	0.8
120.08081	0.5
121.06443	0.5
121.10129	0.7
122.09658	8.0
122.10468	0.3
123.10435	1.9
123.11708	0.9
125.05956	0.5
126.05479	0.4
133.10130	0.7
135.11696	4.6
136.11218	2.4
137.13223	0.7
138.09140	0.6
139.07578	0.4
140.10663	1.1
150.12769	11.4
151.13553	7.6
152.10733	0.6
153.01768	0.9
153.15060	0.4
156.06482	0.4
161.05997	0.6
161.13237	0.5
164.14354	1.6
165.01833	2.1
165.07048	0.7
166.12265	1.1
166.16020	0.8
168.06557	1.3
172.09694	0.7
176.14250	0.7
178.15871	4.9
179.14282	0.4
180.10133	0.5
183.02908	3.6
184.09657	0.4
186.11200	0.9
192.13785	0.4
194.15457	2.8
196.09721	0.6
198.11322	0.8
210.06721	0.6
210.11263	3.0
210.14886	3.1
212.12831	0.3
221.06023	0.6
225.09126	0.8
238.14346	1.1
240.15938	100.0
241.16280	2.8
242.17494	5.1
253.08574	1.5
257.07977	0.4
284.18558	57.2
284.29239	1.8
285.04263	0.4
285.07651	1.4
285.11203	1.5
285.18906	2.2
301.02014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2055
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
53.03946	4.0
54.98401	3.0
55.01867	7.9
55.05503	16.6
56.96561	4.6
57.03440	7.2
57.07068	9.6
60.96430	2.9
67.05500	22.3
69.03422	5.1
69.07058	16.2
69.46411	3.5
70.33572	15.0
71.04993	9.5
79.05487	24.9
81.03422	5.0
81.07054	35.4
81.31889	3.0
83.04997	16.9
83.08627	9.0
85.06537	4.0
90.98630	3.1
91.05473	22.6
91.97243	3.0
93.07038	42.0
95.04964	19.7
95.08605	32.9
97.06529	9.4
99.04492	3.2
103.05434	3.4
105.07026	44.8
107.08581	33.8
109.06526	12.7
109.10123	16.5
111.04459	12.0
111.08080	8.8
116.98633	5.0
117.07005	11.7
119.08585	40.9
121.06513	9.3
121.10132	100.0
123.08030	9.7
123.11716	7.4
128.06244	4.2
129.06989	6.5
131.08545	23.4
133.10138	25.7
134.99644	6.1
135.08086	8.4
135.11644	17.9
137.09598	4.4
142.07831	3.8
143.08569	16.8
144.09369	3.5
145.10121	45.5
147.11694	10.7
149.09621	6.9
153.12752	10.2
154.73717	3.0
155.08554	3.8
156.09323	3.6
157.10150	16.5
158.10899	6.5
159.11693	14.5
161.09624	24.6
161.13347	5.0
163.11197	21.8
167.08441	4.1
169.10100	4.1
171.08130	4.7
171.11676	10.4
173.09650	5.5
173.13257	42.4
175.11189	4.4
175.14926	7.0
181.12236	10.1
185.09665	4.5
185.13275	6.9
187.14799	7.6
189.12773	4.2
190.61632	4.0
194.10928	5.4
195.11627	6.8
197.13335	4.1
199.14777	7.7
209.13301	10.8
211.14769	4.1
213.12784	4.2
225.16597	3.3
227.12639	24.1
255.21115	6.2
265.19498	23.2
278.00980	4.4
283.15778	19.4
283.20541	98.2
283.28354	4.1
284.20895	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	283.2054
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
53.03926	1.8
55.01859	2.4
55.05507	10.9
57.03419	3.3
57.07066	3.0
66.51956	1.5
67.05501	18.1
69.03425	8.0
69.07065	10.8
71.04990	5.3
71.08612	2.2
71.59729	1.6
71.60126	2.2
79.05488	19.3
81.03412	2.1
81.07054	28.1
82.76386	1.8
83.04971	6.6
83.08598	7.4
85.06560	1.7
91.05463	17.7
93.07031	26.6
95.04980	11.0
95.08601	20.5
97.06513	5.5
97.10162	1.9
105.07028	39.5
107.04943	4.6
107.08572	22.9
109.06506	6.9
109.10165	15.2
111.04444	4.1
111.08070	3.3
115.05450	2.0
117.07024	8.1
119.08583	37.9
121.05711	1.8
121.06498	7.6
121.10136	61.7
123.08054	4.5
123.11678	6.3
128.06233	3.8
129.07010	6.9
130.07736	4.6
131.08560	20.1
133.10123	27.7
134.99724	2.1
135.08058	9.6
135.11684	13.4
137.09641	1.9
141.06982	2.9
142.07771	7.1
143.08542	18.0
144.09396	2.7
145.10127	32.4
147.08023	4.1
147.11633	10.3
149.09644	2.2
153.12743	4.0
155.08505	6.0
156.09326	5.0
157.10109	19.1
158.10899	5.9
159.08055	5.1
159.11682	13.2
161.09610	18.4
161.13242	6.2
163.11259	10.2
165.06889	2.5
169.10104	5.7
170.10960	2.7
171.07957	2.5
171.11710	15.3
173.09641	6.2
173.13272	48.5
174.13716	2.5
175.11174	6.9
175.14818	7.1
179.08554	5.3
180.09340	3.8
181.10129	4.7
181.12242	2.5
182.10797	2.0
183.11659	9.1
185.09637	2.0
185.13248	8.4
187.11124	3.2
187.14828	7.5
189.12773	4.1
193.10164	2.2
194.10876	4.5
195.11678	9.0
197.13254	5.1
199.11208	3.9
199.14847	8.6
201.16371	3.9
208.12378	3.9
209.11638	2.9
209.13281	17.8
210.13942	3.1
213.12720	7.0
213.16307	3.7
213.97997	1.8
215.14331	1.9
221.13226	2.0
223.14821	8.8
225.16348	6.4
227.12492	3.5
227.14601	9.1
239.17976	2.6
241.15848	3.9
250.17636	1.7
255.21016	11.7
265.19562	27.1
278.00711	1.6
283.15372	7.6
283.20547	100.0
284.20905	4.5
284.29434	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01859	6.6
55.05508	13.9
57.03433	12.9
57.07062	1.9
59.60895	1.1
67.05500	24.2
69.03416	2.6
69.07058	9.7
71.04994	4.0
79.05489	32.4
81.03408	3.9
81.07058	27.0
83.04983	5.4
83.08607	11.1
84.77438	1.4
89.06040	1.8
91.05477	12.8
93.07034	44.3
93.58347	1.3
95.04935	6.8
95.08603	45.1
97.02886	4.0
97.06518	6.3
97.10162	2.3
98.21610	2.5
99.04434	4.6
105.07010	9.7
107.04939	11.8
107.08587	31.2
109.06525	4.2
109.10143	4.4
111.04428	3.4
111.08092	1.9
113.06026	1.4
117.07011	11.8
119.08569	13.5
121.06509	5.7
121.10114	16.4
125.05992	3.7
129.07014	2.4
130.07748	2.5
131.08505	1.6
133.10150	3.2
135.08058	3.5
135.11684	49.9
139.07564	1.3
143.08565	2.3
145.10121	33.4
149.09590	2.8
163.11176	73.9
164.11412	1.6
173.09570	1.6
181.12222	18.5
191.10638	1.3
205.01237	1.5
209.11703	2.7
209.13426	1.4
227.12769	100.0
228.13220	2.8
283.15378	25.1
283.20575	4.1
283.26257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79012	1.9
53.03925	2.4
54.33762	1.7
55.01864	7.8
55.05512	14.1
57.03438	16.1
57.07069	3.8
67.05499	25.3
68.70818	1.8
69.07077	10.3
69.93931	11.1
71.04995	3.7
73.02900	1.9
79.05497	32.8
81.03409	3.9
81.07047	26.3
83.01366	2.4
83.04987	8.9
83.08610	11.0
85.02913	2.0
91.05483	14.2
93.07036	48.7
95.04971	11.4
95.08602	42.7
97.02873	6.9
97.06523	7.3
97.10165	2.7
99.04462	3.0
105.07047	9.0
107.04951	11.7
107.08583	32.9
109.10156	5.9
111.04429	4.0
117.07019	12.0
119.08564	14.0
121.06500	5.3
121.10145	19.1
125.05943	4.3
128.44279	2.0
131.08549	3.3
133.10121	5.7
135.08051	3.7
135.11682	50.7
145.06512	1.8
145.10112	29.3
151.13927	2.0
153.12718	5.3
163.11174	74.8
173.09685	2.6
181.12247	18.6
191.10565	2.8
209.11716	4.3
227.12769	100.0
241.66992	2.1
283.15427	28.9
292.28497	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01865	4.1
55.05508	10.5
57.03186	0.9
57.03436	11.5
57.07071	1.6
67.05164	1.5
67.05499	19.2
69.03415	1.6
69.07062	7.1
70.40431	0.8
71.04986	2.4
72.82056	0.8
73.02897	1.1
79.05484	27.6
81.03413	3.8
81.07053	19.4
83.04976	4.8
83.08609	7.9
83.26003	0.8
89.06027	2.5
91.05462	10.6
93.07038	36.7
95.04957	7.6
95.08598	38.0
97.02876	4.7
97.06549	4.1
99.04477	3.8
103.05445	1.7
105.07037	7.2
106.29481	0.7
107.04950	11.0
107.08582	27.4
109.06492	2.2
109.10145	2.9
111.04425	1.8
111.08105	2.1
113.05986	0.8
117.07018	11.5
119.08565	10.1
121.06515	6.4
121.10128	13.6
125.05960	3.5
125.83371	0.7
129.07002	1.3
130.07780	1.4
131.06602	0.8
131.08490	0.9
133.10112	2.9
135.08047	3.6
135.11685	51.7
139.07545	1.2
139.11125	0.7
143.08574	1.5
145.10107	28.2
146.10439	0.8
153.12724	1.5
155.08513	1.3
163.11169	67.4
164.11562	0.9
171.11700	0.9
173.09593	0.9
174.29747	0.8
176.53017	1.0
177.82858	0.8
181.12222	16.0
191.10533	1.1
209.11717	2.8
223.35706	0.8
227.12761	100.0
228.13152	3.0
283.06238	1.1
283.15366	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	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29883	1.2
53.03936	2.6
55.01858	4.3
55.05505	11.7
57.03430	10.4
57.07069	2.2
59.31970	1.2
61.56935	1.3
65.03937	1.7
67.05161	1.7
67.05499	19.7
67.12200	1.2
69.03429	2.0
69.07061	9.9
69.95899	1.1
71.04987	3.6
71.55954	1.2
73.02888	1.3
74.15454	1.3
76.14227	1.2
78.47311	1.1
79.05056	2.2
79.05489	27.9
81.03410	3.4
81.07053	24.1
83.04979	6.6
83.08612	10.7
91.05473	12.4
93.07038	36.9
95.04959	9.3
95.08603	43.6
97.02883	6.4
97.06528	7.5
99.04457	5.0
103.05464	2.0
105.07014	11.1
107.04958	12.6
107.08591	29.1
109.06510	3.5
109.10168	3.7
111.04442	4.1
117.07004	13.6
119.08559	10.8
121.06493	6.3
121.10131	17.1
125.05981	4.4
130.07756	2.5
131.08559	2.5
133.10143	3.9
134.99652	2.6
135.08031	3.0
135.11685	57.2
139.07545	2.5
143.08501	1.5
145.10117	29.0
153.12762	2.0
154.23053	1.3
163.11171	66.3
173.09583	2.6
177.16299	1.2
179.20557	1.1
181.12241	15.6
194.36732	1.3
202.57361	1.2
209.11676	4.8
216.53409	1.2
227.12769	100.0
228.13087	1.9
278.01184	1.2
283.15375	23.3
295.24799	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99431	1.4
53.03944	1.6
55.01867	4.3
55.05506	11.9
57.03432	11.9
65.03928	1.7
67.05501	17.5
69.07059	8.1
71.04976	3.0
71.16327	1.6
73.27272	1.3
79.05495	30.7
81.03423	3.1
81.07056	23.4
83.04973	7.3
83.08610	12.4
89.06041	7.3
91.05472	12.8
93.07044	42.1
95.04961	9.1
95.08601	40.8
97.02880	6.0
97.06527	4.9
97.10152	1.8
99.04456	4.5
105.07040	8.9
107.04954	10.8
107.08595	31.1
109.06504	3.0
109.10214	2.5
111.04462	3.5
111.08094	1.6
117.07005	10.5
119.08595	12.3
121.06499	4.3
121.10136	13.6
125.05946	3.3
130.07799	2.5
133.08586	3.0
133.10110	1.7
135.08055	3.0
135.11687	55.0
139.07483	1.9
143.08597	2.2
145.10112	34.2
155.08479	2.6
163.11179	73.5
181.12207	19.8
191.10497	1.7
194.30174	1.4
204.72856	1.4
209.11719	3.1
227.12767	100.0
228.13234	2.0
255.16020	2.0
283.15390	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84537	0.4
53.53011	0.4
55.05510	1.0
56.96553	0.7
61.41090	0.4
63.29306	0.4
66.05435	0.4
67.05509	1.1
69.03448	0.7
69.07076	0.8
69.85538	0.7
69.85944	1.5
70.06600	0.7
70.82462	0.4
72.08165	0.5
74.60310	0.4
79.01864	0.4
79.05508	1.7
80.05025	2.4
81.03419	0.9
81.07065	1.8
82.06583	0.6
83.08575	0.4
84.04514	0.6
85.02908	1.5
86.06077	0.8
87.04467	16.2
91.05469	1.1
93.07050	3.8
95.05036	0.5
95.08610	1.3
96.08141	1.1
97.02884	0.6
98.06065	0.9
98.21503	0.4
98.97566	0.8
102.05575	0.4
105.07050	0.8
107.08602	1.8
108.08120	3.1
109.08911	0.6
109.10155	0.5
110.09679	2.1
116.98585	0.5
119.08578	0.7
120.04435	0.6
121.02882	2.3
121.10139	0.5
122.09663	2.6
123.10499	0.9
123.11709	0.7
124.11247	0.9
134.09706	0.7
134.99608	0.4
135.11707	3.5
136.07590	0.6
136.11212	1.3
137.06015	1.1
137.13237	0.5
138.09132	0.5
150.12781	4.9
151.13550	0.9
152.14346	13.1
153.01826	3.5
158.81898	0.4
161.05983	2.6
166.08614	3.6
180.10196	0.9
181.04965	0.4
181.11031	0.6
184.09712	0.8
184.13350	0.9
188.34734	0.4
194.11813	2.8
196.13417	0.8
208.13329	3.9
209.14063	1.1
210.14803	0.9
232.63588	0.4
236.16534	0.6
238.18010	100.0
239.18338	2.4
239.52866	0.4
240.19611	1.0
243.01779	0.8
252.12103	0.4
267.10745	0.4
282.17172	5.9
282.20612	70.2
283.06104	0.9
283.20908	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	282.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05510	3.4
56.95002	1.3
56.96554	5.3
58.06596	48.2
67.05509	2.6
68.22141	1.1
69.03409	3.9
69.07059	5.4
70.32839	1.1
71.04988	22.7
71.33577	1.6
71.33909	1.7
72.08141	1.7
76.07642	14.8
79.05490	4.4
81.03369	2.0
81.07069	7.1
85.02906	1.3
85.06523	1.3
91.05466	10.1
93.07034	5.4
95.04990	2.5
95.08579	7.7
98.97570	13.3
99.04450	59.1
102.24668	1.3
103.05466	1.7
105.07024	87.2
107.04948	2.2
107.08573	4.9
107.93552	1.4
109.06467	1.7
109.10140	2.6
116.98620	10.8
119.08564	5.3
121.02854	12.4
121.06487	9.8
121.10161	1.6
123.08054	7.1
123.11694	2.5
128.06192	2.6
128.98520	1.6
131.08524	3.3
133.06499	14.3
133.10120	55.8
134.99628	4.3
143.08531	3.0
145.10118	3.2
146.07292	6.5
151.07510	3.4
151.11104	2.6
153.01863	1.8
158.99628	4.5
161.09610	100.0
163.11179	16.7
164.52927	1.2
177.00710	5.0
179.10660	45.2
182.98468	1.1
189.09087	10.0
191.08496	4.4
199.04413	1.2
207.10124	6.6
219.08041	3.6
234.86179	1.3
244.34149	1.3
251.10576	6.2
251.12854	4.6
255.14313	2.7
264.14868	4.9
282.17038	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	282.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01854	3.3
56.96570	25.1
57.03424	5.5
57.04239	3.1
61.02915	12.2
61.22879	3.9
64.98415	3.2
67.05515	3.4
68.28482	3.7
69.03426	23.6
70.28932	15.4
72.93750	3.4
73.02914	9.1
73.17067	2.9
79.05492	3.9
81.03399	9.7
85.02902	95.1
85.06533	15.3
87.04457	4.4
90.94832	3.9
91.03928	6.7
91.05463	5.3
95.04939	5.2
97.02897	23.7
98.20697	3.3
98.97583	8.3
99.04434	6.5
101.02354	4.0
103.05462	3.5
107.04955	7.3
109.02879	6.8
111.04446	4.4
112.07533	5.8
116.98640	9.3
118.06557	4.1
123.04401	10.3
127.03903	24.9
128.98671	4.6
134.99628	8.4
136.06175	6.4
137.05957	9.7
139.03856	5.4
145.04941	43.4
146.06004	4.5
146.99641	6.4
147.04390	5.6
149.01234	4.9
150.01389	4.4
153.01831	10.9
155.04610	8.2
161.00491	6.0
162.05490	12.3
163.06027	7.8
164.05199	4.8
167.06993	3.3
172.95264	3.6
176.32784	3.4
177.00613	5.3
177.07864	22.1
178.00835	15.8
193.03169	100.0
193.04678	4.5
199.05559	4.8
200.85651	3.9
204.05388	6.0
206.11769	12.2
220.39291	3.4
237.02884	4.4
259.96216	5.6
282.08081	4.2
282.21829	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	282.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29517	0.5
52.21843	0.5
56.96555	1.3
60.95848	1.2
67.05511	1.0
69.07047	0.6
70.28281	1.6
70.28693	1.4
72.08153	1.0
73.02906	1.4
75.55451	0.5
78.88419	0.7
79.05489	1.0
79.64092	0.6
90.09169	0.7
91.05470	7.2
92.05766	0.8
93.07032	1.4
95.04990	1.2
96.02052	1.0
98.09727	0.6
98.21365	0.7
102.05561	0.6
103.05470	4.5
105.07036	2.3
106.06524	1.1
107.04952	1.6
115.05457	2.0
116.06297	1.3
116.43353	0.5
116.98640	0.6
117.05740	1.8
117.07016	2.6
118.06538	5.0
119.04924	2.1
119.07368	1.0
120.08109	7.2
121.02835	1.1
121.06498	1.2
128.06252	0.9
129.07028	4.1
130.10933	0.6
131.04955	2.8
131.07335	1.0
132.08087	14.4
132.08998	1.1
133.06531	2.6
133.08867	96.8
134.09657	10.6
136.06197	1.2
137.06572	0.9
144.08075	3.8
145.06535	4.0
146.09622	4.5
147.04410	2.0
155.04871	0.9
156.08101	2.5
157.06505	1.2
159.04443	1.1
160.07564	2.5
162.09131	24.4
163.04254	0.8
165.07874	1.0
172.07574	3.3
173.05974	4.2
174.09116	8.7
175.07530	2.6
177.05434	1.2
180.05643	0.7
185.05963	1.3
189.05522	0.7
191.72258	0.7
192.10184	47.4
193.10521	0.6
199.02591	1.7
200.07080	1.2
201.05614	1.1
202.08614	3.7
203.07037	0.8
206.08124	23.2
207.08870	1.3
208.09666	7.7
218.08269	0.9
219.06512	12.1
220.09569	3.1
236.09192	1.3
242.05792	1.1
264.08694	0.7
265.07040	6.4
282.09717	100.0
283.10168	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12006	0.4
58.06597	16.6
63.46590	0.4
65.03943	1.0
65.56264	0.4
69.03416	0.6
70.07374	0.7
70.07722	1.7
71.04993	0.6
72.08151	2.5
76.07636	1.1
77.03938	0.4
79.24844	0.4
89.03909	0.6
90.09174	0.4
91.05477	23.0
95.04992	0.7
103.05430	0.6
105.03381	0.9
119.04939	35.1
120.08113	0.6
121.02863	0.8
129.03403	0.6
132.02048	1.6
133.02798	0.7
135.04395	1.0
136.05159	0.6
145.02867	0.5
147.04401	31.5
147.09070	2.0
148.09560	3.6
149.02328	1.8
152.05678	7.7
153.04073	0.8
157.03970	2.7
164.04675	1.7
175.03902	53.4
176.04475	0.5
179.07047	3.0
193.04964	0.8
207.06517	100.0
208.06819	0.5
251.09137	3.7
282.15543	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	281.1746
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03943	7.9
55.01864	4.6
55.05511	32.8
57.03440	27.2
65.03935	3.8
67.05503	80.9
69.07081	13.0
69.49429	5.5
69.49847	12.4
71.04989	3.7
73.06562	2.4
79.05492	100.0
81.03417	17.3
81.07058	65.4
82.64754	2.0
83.04979	35.1
83.08616	10.2
85.06544	3.1
87.04446	2.4
91.05473	65.9
93.07044	67.8
93.98213	1.9
95.04967	30.6
95.08606	40.2
97.06523	5.8
97.10155	6.3
103.05443	2.2
105.07029	47.6
107.04954	7.5
107.08595	24.3
109.06523	6.4
109.10149	7.0
117.07010	11.3
119.08587	29.8
121.10166	6.0
123.08065	6.4
128.06274	2.7
129.07014	18.5
131.08617	2.5
133.10147	11.8
135.11627	3.1
143.08583	10.2
145.10104	11.6
147.11687	35.8
153.53377	2.0
161.09698	3.5
161.13235	16.0
171.11688	32.3
189.12708	11.8
207.13763	12.3
277.36185	2.3
281.17459	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.2
53.03708	0.9
53.03937	8.0
55.01857	5.4
55.05505	37.6
56.96544	2.0
57.03432	27.6
57.07072	12.7
65.03939	5.5
67.02821	0.9
67.05499	86.3
69.03397	3.7
69.06720	1.6
69.07062	26.1
70.89591	2.1
71.04970	3.6
71.08620	10.9
73.06556	2.3
77.03886	1.2
79.05487	100.0
80.05804	1.1
81.03410	15.2
81.07052	77.1
82.07346	1.1
83.04482	2.0
83.04976	35.5
83.08612	17.9
83.61301	1.0
85.02885	2.2
85.06538	5.2
85.10163	2.7
87.04427	1.5
91.04897	2.3
91.05473	75.1
93.07037	77.8
95.04963	33.3
95.08598	53.4
96.08916	1.4
97.02859	1.8
97.05939	1.3
97.06498	6.6
97.10160	10.9
97.43175	1.0
98.97546	2.1
99.08060	3.5
103.05408	2.8
105.04504	1.7
105.07024	52.4
107.04947	11.8
107.08584	26.7
109.06509	10.7
109.09443	1.4
109.10143	16.4
109.25883	1.0
111.08009	1.5
111.11687	3.1
113.05963	1.1
113.09688	1.1
115.05441	2.4
117.07001	10.4
119.04900	1.1
119.08575	32.8
121.06476	4.2
121.10137	7.0
123.08057	9.2
123.11707	5.5
125.09618	1.0
127.07576	1.3
128.06166	3.5
129.06996	17.6
131.08546	3.9
133.06479	1.5
133.10110	15.7
135.08061	1.8
135.11656	1.8
137.09583	1.2
137.13225	2.4
141.06927	1.1
143.08549	11.9
145.10088	11.0
147.08038	4.2
147.11673	38.7
153.01764	1.5
159.11665	2.3
161.09610	5.5
161.11955	1.7
161.13226	18.1
171.11668	30.4
178.07765	1.3
179.14293	1.7
189.12704	10.3
193.87425	0.9
195.08003	1.6
207.13777	12.8
221.09569	3.4
223.07487	2.2
238.09952	4.6
249.09061	3.1
250.09863	1.1
251.07008	2.1
253.12233	2.7
258.99323	1.1
261.66959	1.0
265.08722	1.1
266.09244	3.6
281.11728	23.3
281.17407	44.0
281.28378	12.3
282.12204	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	281.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.6
55.01865	5.8
55.05511	33.9
56.96554	7.5
57.03433	27.6
57.07066	2.3
57.96816	1.6
65.03925	5.5
66.67967	1.9
67.05502	82.3
67.74136	1.7
69.03423	5.3
69.07061	21.1
69.94537	3.5
69.94957	8.4
71.04983	6.1
73.02911	2.4
79.05489	100.0
80.41429	1.9
81.03413	16.4
81.07055	68.5
83.04980	34.4
83.08595	10.2
85.02895	3.9
85.06539	3.3
91.04887	2.2
91.05475	76.4
93.07040	78.1
95.04968	30.7
95.08601	46.4
97.02876	3.9
97.06512	6.7
97.10162	5.5
98.97590	5.6
103.05405	2.4
105.07027	59.8
107.04951	8.3
107.08590	28.9
109.06496	8.7
109.10159	10.9
111.08083	2.3
116.98597	6.3
117.07016	10.8
119.08579	37.9
121.06476	3.9
121.10147	5.6
123.08055	9.3
123.11666	2.1
128.06219	4.4
129.06996	18.9
131.08574	5.2
133.06480	4.5
133.10127	16.8
134.99680	4.4
135.08023	4.5
135.11658	4.0
143.07465	1.7
143.08540	9.6
145.10110	12.1
147.04402	4.5
147.08028	2.3
147.11682	41.9
149.01106	2.0
153.00554	1.8
153.01811	3.6
158.99699	2.4
159.11687	2.2
161.05998	2.6
161.09589	5.4
161.13248	15.7
171.11690	27.2
177.00677	4.4
189.12726	10.5
191.11894	2.3
200.10651	2.4
200.12445	3.3
207.13742	12.1
248.49368	1.9
254.27238	1.8
263.13849	2.6
272.14529	5.4
281.08035	3.4
281.15027	3.1
281.17505	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.7
55.01862	6.3
55.05257	2.1
55.05512	33.6
57.03434	29.8
57.07077	2.9
62.74228	1.5
63.46111	1.3
65.03934	4.6
67.05505	91.4
68.22948	1.1
69.03408	2.7
69.07066	19.1
71.04990	4.9
71.53604	1.3
71.60519	1.9
73.06541	1.8
79.05491	100.0
81.03425	14.9
81.07057	76.6
83.04981	32.4
83.08617	10.9
85.06535	2.8
91.05481	79.4
93.07042	81.9
95.04967	35.2
95.08605	42.1
97.06517	7.1
97.10147	6.7
103.05481	1.7
105.04507	1.9
105.07028	50.2
107.04959	8.1
107.08596	23.5
109.06517	11.4
109.10152	6.4
115.05475	2.1
116.98638	2.6
117.06991	11.9
119.08572	35.5
121.06498	3.8
121.10141	5.2
123.08096	10.5
127.07597	1.6
128.06229	2.9
129.07002	19.6
130.07768	1.8
131.08562	3.4
133.06610	1.4
133.10129	16.0
134.99672	1.7
135.11674	4.6
137.09619	1.9
143.08562	10.6
145.10114	10.9
147.08046	2.9
147.11688	39.0
161.09596	5.3
161.13261	16.7
161.44765	1.3
163.11215	2.0
171.11690	29.2
177.12560	1.8
179.14201	1.4
189.12744	9.8
207.13774	12.7
253.35146	1.5
281.17432	39.0
281.26587	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	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.5
55.01859	5.4
55.05511	36.3
57.03438	33.5
57.07068	5.6
65.03918	6.4
67.05504	91.9
69.07065	21.8
71.04964	3.4
71.08615	5.3
75.93250	2.2
79.05491	100.0
81.03416	14.1
81.07059	70.2
83.04984	31.3
83.08626	15.1
85.06541	3.3
85.10159	2.8
91.05476	85.2
93.07044	64.8
95.04971	34.2
95.08605	52.6
97.06535	4.8
97.10162	8.1
99.08108	2.7
105.04539	2.5
105.07027	50.3
107.04963	8.7
107.08595	23.5
109.06515	7.4
109.10176	13.1
111.08080	2.4
117.06993	11.2
119.07770	3.5
119.08585	37.1
119.09448	3.4
121.06483	2.9
121.10133	6.8
123.08083	7.4
128.06210	2.4
129.07018	19.2
131.08556	3.9
133.10123	14.8
133.55661	2.0
135.11633	2.8
143.08611	11.2
145.10155	11.2
147.07988	2.9
147.11688	36.8
157.36600	2.1
161.09584	6.3
161.13246	15.0
171.11694	32.7
189.12759	12.0
207.13821	12.9
212.99213	2.0
229.54305	2.6
281.17474	36.3
281.29498	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02370	1.7
52.78289	1.7
53.03943	9.5
55.01865	2.8
55.05508	35.9
57.03433	27.5
57.07082	2.0
65.03925	3.1
67.05503	84.8
68.34338	1.6
69.03413	2.2
69.07063	18.9
71.03972	1.7
71.04996	4.0
73.06552	2.2
79.05489	100.0
81.03411	16.3
81.07057	64.1
83.04980	33.0
83.08617	11.4
85.06548	4.4
85.25990	1.8
88.04539	2.0
91.05476	69.1
93.07040	77.2
95.04965	37.4
95.08601	42.3
97.02841	2.1
97.06533	4.7
97.10168	5.4
98.21523	3.0
105.07024	55.1
107.04963	10.8
107.08585	24.7
109.06499	8.1
109.10170	12.1
111.08067	3.5
116.52205	1.6
117.07002	9.1
119.08571	33.1
121.06508	2.7
121.10143	5.2
122.79401	1.8
123.08075	8.6
125.05880	1.9
125.09645	1.7
125.21605	1.5
128.06221	2.8
128.60515	1.6
129.06981	19.2
131.08577	2.5
133.10147	14.1
135.11696	4.7
143.08545	10.4
145.10120	11.6
147.08029	3.6
147.11684	46.0
156.09251	2.2
159.11647	2.5
161.09628	5.6
161.13248	19.2
163.11197	1.8
171.11687	27.4
189.12709	11.0
207.13753	15.1
218.41994	1.9
225.14903	1.9
281.17484	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	281.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
55.01859	5.2
55.05505	23.6
56.96567	2.4
57.03437	20.6
57.07071	5.5
58.06580	1.9
60.87509	1.9
63.89386	1.8
65.03937	4.2
67.05505	64.4
69.03426	4.1
69.07063	16.2
70.14313	5.1
70.14713	3.0
70.19295	2.1
71.04987	5.3
71.08618	2.4
73.06571	2.8
76.89616	1.6
79.05491	82.9
79.79075	1.6
80.74405	1.6
81.03420	13.2
81.06577	2.9
81.07053	54.1
83.04985	26.3
83.08617	9.8
84.44781	1.6
85.06526	2.9
91.05473	45.2
93.07044	47.7
95.04971	22.7
95.08601	32.5
97.06533	5.1
97.10191	5.4
99.08098	2.7
103.05450	3.8
105.07029	100.0
106.07361	33.5
107.04955	8.3
107.08591	19.0
109.06512	6.9
109.10155	7.6
111.08071	2.0
115.05442	3.2
116.98620	3.4
117.07043	8.6
119.08585	23.3
121.06470	3.0
121.10139	6.3
123.08058	6.7
123.11720	2.1
128.06232	3.5
129.07008	14.2
131.08525	4.1
133.10127	14.2
134.90755	1.7
134.99641	2.6
135.08069	2.1
135.11700	3.1
143.08562	7.8
145.10144	10.9
147.07991	2.8
147.11693	27.1
159.11638	2.7
161.09651	7.8
161.13213	10.9
163.11232	2.0
171.11697	23.4
176.14360	3.1
189.12759	8.9
207.13786	8.1
248.15662	2.5
277.00806	2.3
281.17578	24.0
281.20947	67.1
292.11761	2.1
299.06354	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03936	7.7
55.01864	4.7
55.05511	33.5
57.03180	2.5
57.03437	30.2
57.07055	2.0
65.03938	4.9
67.05503	87.5
69.07067	16.3
71.04982	3.8
72.61098	1.6
73.06545	2.3
74.59666	1.6
77.03931	2.2
79.05491	100.0
81.03419	16.1
81.07053	66.9
83.04976	36.5
83.08621	9.1
85.06530	3.5
91.05479	70.1
93.07042	75.5
94.07360	2.5
95.04969	35.8
95.08602	44.1
97.02896	2.3
97.06532	7.2
97.10165	5.3
98.21513	3.8
105.04502	2.2
105.07028	52.9
107.04955	7.5
107.08595	22.2
109.06540	10.1
109.10201	8.4
111.08118	2.6
117.07005	10.8
119.08579	29.8
121.06499	4.0
121.10128	5.2
123.08053	7.5
127.07568	2.3
128.06256	2.5
129.06998	17.6
131.08522	3.1
133.10104	14.3
135.11635	3.8
143.08508	9.8
145.10107	12.2
147.07974	2.8
147.11684	39.6
161.09607	5.7
161.13255	16.9
163.11189	1.6
171.11679	33.8
174.34799	1.9
179.14365	2.5
189.12698	11.7
207.13794	17.4
269.55371	2.0
281.17468	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03941	10.1
55.01866	5.9
55.05511	35.9
56.96567	1.6
57.03433	28.0
57.07064	2.2
59.94173	1.8
65.03925	3.4
67.05502	84.9
68.05849	1.9
69.03430	2.8
69.07066	20.8
71.04976	5.7
71.08615	1.6
73.06551	2.3
76.39876	1.6
79.05491	100.0
81.03423	15.5
81.07052	69.2
83.04977	37.4
83.08612	12.3
85.02877	1.5
85.06556	3.0
86.66751	1.4
91.05477	73.1
93.07040	74.0
95.04971	33.4
95.08604	50.9
95.09106	0.8
95.09229	1.7
96.90955	1.4
97.02963	1.6
97.06522	7.4
97.10160	6.7
98.97601	2.6
103.05457	2.0
105.04497	2.1
105.07026	50.5
105.50426	1.4
106.07370	1.4
107.04958	10.3
107.08583	21.6
109.06509	9.9
109.10156	12.1
111.08075	2.9
115.05423	2.3
116.97195	1.6
116.98652	1.9
117.07009	10.1
119.08576	32.4
121.06506	4.4
121.10101	4.4
123.08069	7.7
123.11697	3.6
127.07510	2.0
128.06166	3.3
129.07013	16.4
131.08572	4.4
133.06483	2.5
133.10112	13.6
135.11653	3.4
137.13223	2.2
141.09070	2.3
143.08553	12.4
145.10114	11.1
147.11674	41.5
147.12785	3.2
159.11639	3.0
159.24834	1.6
161.09608	5.5
161.13239	16.0
167.79912	1.5
171.11671	33.2
181.67033	1.5
189.12717	9.0
207.13763	13.7
281.17471	37.9
281.28329	3.4
287.34732	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1741
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.02357	2.3
52.98860	1.4
53.03942	8.8
53.67743	1.7
53.86383	1.5
55.01849	5.2
55.05259	2.3
55.05507	32.2
57.03181	2.6
57.03432	32.8
57.07069	2.3
63.05326	1.3
65.03919	4.4
67.05500	90.9
69.03427	3.0
69.07059	17.4
71.04989	3.7
73.06544	2.0
77.03901	1.5
77.10204	1.6
79.05489	100.0
81.03410	13.4
81.07052	64.1
83.04974	32.0
83.08617	9.9
85.02882	2.1
85.06538	3.8
91.04891	2.9
91.05473	77.2
93.07036	84.2
95.04964	31.1
95.08598	38.9
97.06512	7.6
97.10163	5.5
99.08086	1.9
101.90567	1.7
105.04530	1.9
105.07023	54.1
107.04948	7.0
107.08585	24.0
109.06501	9.9
109.10140	8.5
111.08086	1.8
117.06980	8.7
119.08562	31.9
121.06477	5.8
121.10126	5.2
122.98669	1.6
123.08080	8.4
123.11679	2.0
127.07507	2.3
128.06200	3.6
129.07007	18.3
131.08556	3.6
133.10112	16.0
134.99683	2.0
135.08054	2.0
135.11641	3.0
137.09621	2.2
143.08586	10.0
145.10088	10.6
147.08086	2.1
147.11679	40.8
161.09627	4.9
161.13255	20.1
163.11147	1.7
171.11668	31.6
189.12689	11.2
207.13759	13.3
235.01654	1.7
277.00854	1.7
281.17429	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03923	9.6
55.01857	6.9
55.05514	33.3
57.03434	34.7
57.07044	3.4
67.05501	100.0
69.03439	3.6
69.07068	18.6
79.05488	95.9
81.03393	16.8
81.07054	72.9
83.04975	30.1
83.08601	11.9
85.49197	3.6
90.99025	2.8
91.04960	5.2
91.05479	71.7
93.06468	4.6
93.07034	79.4
95.04969	26.7
95.08604	40.8
97.06509	6.9
97.10157	4.2
98.21519	6.0
105.07029	55.6
107.04973	7.5
107.08596	22.2
109.06483	9.9
109.10142	8.1
111.08124	3.6
117.07002	11.8
119.08568	31.4
121.06530	3.9
121.10107	6.3
123.08029	10.9
123.11665	3.6
128.54848	2.9
129.07011	15.3
131.08563	3.8
133.10135	15.7
135.11697	6.6
143.08553	10.7
145.10094	7.7
147.11679	39.3
149.95322	3.4
161.09560	5.0
161.13234	19.0
171.11664	19.8
173.59424	3.6
189.12709	11.7
207.13795	7.6
229.64128	4.4
256.82770	3.7
281.17511	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	281.1745
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.52050	1.6
53.03945	8.7
54.33002	1.5
55.01860	6.5
55.05504	38.8
56.96561	1.5
57.03179	2.6
57.03432	28.5
57.07051	3.9
59.04971	1.9
62.44252	1.7
65.03921	6.1
67.05499	97.4
69.03425	2.4
69.07063	20.0
71.04988	3.1
71.30267	3.3
71.30605	2.3
71.63301	1.7
73.06544	2.9
79.05486	100.0
81.03420	17.7
81.07050	70.2
81.47957	1.5
82.07399	1.9
83.04975	36.3
83.08602	11.2
84.46420	1.5
85.06542	3.4
91.05473	69.5
93.07034	75.3
93.48415	1.7
95.04967	30.7
95.08591	45.7
95.09155	2.8
96.08904	1.8
97.06534	8.6
97.10165	6.5
99.08131	2.5
105.07024	51.0
107.04937	9.7
107.08581	28.5
109.06521	8.5
109.10139	9.0
111.08084	2.7
112.11526	1.4
116.98589	4.1
117.07003	11.2
118.08543	1.8
119.08564	32.9
119.09341	2.4
120.99663	1.4
121.06522	2.4
121.10110	6.4
122.60194	1.8
123.08063	10.9
127.07551	2.1
128.06204	2.7
129.06976	18.8
129.87744	1.7
131.08533	1.9
133.10135	13.4
134.54375	1.6
134.99620	5.1
135.11665	3.3
143.08595	11.1
145.10121	11.1
147.08098	4.0
147.11678	42.6
147.12776	3.0
159.11690	1.8
161.09627	6.4
161.13255	16.7
171.11684	29.3
189.12794	10.3
207.13846	11.7
245.84381	2.0
246.22997	2.3
264.24020	2.6
277.00931	3.3
281.17389	39.4
281.26697	2.5
281.29663	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	280.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
56.96550	0.5
57.03442	0.4
57.07083	0.4
67.05496	1.4
69.07055	0.6
71.41830	0.7
79.05489	9.7
79.05955	0.6
81.03404	0.4
81.07055	1.5
83.04977	0.5
91.05480	1.1
93.07027	0.7
95.04947	2.1
95.08598	1.0
103.05463	5.4
105.07022	100.0
106.07336	0.3
107.08576	0.5
118.06547	1.4
119.08552	0.9
129.06998	0.3
132.08136	0.4
146.09636	0.6
147.11650	0.6
149.02333	1.2
150.02658	1.0
173.66724	0.3
176.14317	5.7
182.69162	0.3
189.12682	0.4
192.91203	0.3
235.07571	0.7
248.99953	0.3
280.20581	86.3
281.21152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2317
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03943	2.7
55.05510	7.1
57.07061	2.7
57.39217	1.1
64.45898	1.1
65.03940	2.9
67.05502	99.2
69.07082	7.6
69.27431	1.8
69.27763	12.7
79.05499	10.4
81.07054	100.0
83.08632	3.9
85.06507	1.6
91.05490	4.1
93.02362	0.9
93.07042	8.2
95.08603	71.3
97.10203	1.5
98.21528	2.0
102.42972	1.2
105.07044	3.0
107.04942	1.3
107.08594	4.5
109.10158	36.4
117.07058	1.6
119.08601	1.3
121.10146	4.5
123.08060	1.9
123.11701	23.7
131.08582	2.3
135.11707	3.0
137.13242	8.6
145.10205	1.5
147.11679	2.3
149.02318	11.3
149.09604	1.3
149.13261	2.4
151.14795	2.3
159.11723	3.1
163.14859	1.6
167.10658	1.2
173.13219	2.5
177.12691	1.3
195.13823	2.2
209.15355	1.6
223.16914	2.7
243.21132	1.7
261.22156	3.4
279.16058	3.5
279.23181	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	279.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	3.0
55.01858	1.8
55.05508	28.8
56.96558	7.0
57.07073	24.7
59.05001	16.8
65.03935	1.7
67.05499	16.9
69.03438	4.5
69.07066	100.0
71.04990	1.7
71.08621	6.3
73.49863	1.7
74.16037	1.4
78.06704	1.7
79.05489	8.7
81.07053	48.7
83.04979	2.9
83.08620	44.4
85.02898	2.4
85.06519	2.7
85.10127	1.7
91.05469	7.7
93.07053	25.6
95.04967	1.6
95.08607	50.0
97.06512	6.1
97.10145	9.4
98.97588	2.6
99.08033	1.8
105.07029	3.3
107.04906	1.6
107.08584	23.1
109.10156	30.9
111.04461	1.9
111.08075	5.0
111.11711	14.2
114.00398	1.5
116.98639	4.7
119.04955	2.3
119.08566	3.5
121.02825	4.0
121.06525	1.9
121.10143	18.6
123.11713	17.8
125.09649	3.4
125.13264	2.0
133.10089	1.5
134.99640	3.8
135.11700	16.0
137.13245	7.0
139.11160	4.4
147.04382	4.2
147.11574	1.7
149.02335	64.4
149.13274	17.8
151.14815	4.4
153.01907	2.0
153.12721	1.7
163.03932	3.1
163.14853	3.0
165.16396	2.5
167.14333	1.7
177.00745	4.9
177.16386	3.8
182.05084	2.0
191.17934	3.6
192.75099	1.7
195.06506	3.2
195.17471	2.2
205.19485	4.2
209.18971	2.5
219.05763	2.0
219.07925	3.0
221.75412	1.5
261.25696	8.0
269.55362	1.6
279.09964	3.9
279.16412	2.5
279.19351	11.3
279.26828	14.1
280.12097	2.1
299.09708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1702
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
56.96561	2.2
57.07068	1.4
65.03951	0.4
66.66071	0.4
69.03432	0.8
69.07051	0.5
71.04955	0.4
71.36786	0.4
79.01846	2.4
81.03420	1.2
81.07083	0.7
85.02921	0.7
86.09700	100.0
87.10027	0.9
87.68261	0.4
91.05476	0.9
93.07041	1.0
95.04967	0.4
97.02894	1.5
97.06532	0.7
98.26408	0.3
98.97563	1.7
103.05457	2.7
105.07021	0.6
107.01309	0.8
107.04949	0.7
107.08623	0.8
109.02864	1.4
110.97628	0.5
115.05457	0.4
116.98624	1.6
117.07040	0.4
119.04929	0.4
120.08097	50.5
121.02853	0.4
121.08432	1.0
121.10120	0.4
123.04417	0.5
124.07558	0.6
125.02325	1.9
127.03941	1.0
128.98648	0.5
131.04915	1.3
132.10231	0.7
133.06441	0.3
134.99648	0.4
143.00214	0.4
143.03386	3.0
145.06476	0.5
146.99611	0.7
147.04410	1.4
149.01155	0.5
149.02341	7.6
149.06013	0.5
151.07547	0.5
153.01823	34.9
154.02153	1.0
159.04407	1.0
160.13103	0.3
161.06021	0.7
162.63441	0.4
163.03735	0.4
163.07582	0.4
166.08630	9.2
166.09935	0.7
175.07568	0.6
177.00682	0.6
181.01392	0.5
191.08699	0.5
193.04935	0.7
195.03206	0.8
205.04948	0.8
213.04321	1.1
218.82433	0.4
219.08144	0.6
219.10052	0.4
222.08406	0.3
233.04424	0.8
233.16495	1.3
235.09619	1.0
237.02774	1.1
239.02303	1.2
243.03464	0.4
251.10683	0.7
251.43994	0.4
257.03394	0.9
261.04236	0.4
279.04990	4.2
279.10080	0.8
279.17035	3.4
280.11682	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63652	2.0
51.25974	2.2
56.96568	17.7
57.07059	9.6
57.93555	3.0
60.93238	2.0
60.95832	5.0
69.86308	9.4
77.00907	3.7
78.16821	2.1
79.01861	3.0
81.03407	3.5
81.07039	3.8
90.19079	2.2
91.05460	3.1
98.97601	6.0
103.05470	1.9
105.07024	4.4
107.04959	19.4
108.05281	3.2
109.02875	4.2
113.52769	1.9
116.98619	9.9
118.18666	2.4
121.02858	9.0
122.22301	2.1
125.02392	4.0
127.03891	3.3
131.04935	6.4
132.04445	7.6
133.06421	2.8
134.99641	8.5
135.04382	3.2
143.03375	7.3
147.04404	8.5
149.02330	73.8
149.05943	2.9
153.01822	64.6
153.02899	2.4
155.77702	2.3
159.04395	7.7
161.05974	5.2
167.03421	3.7
177.03978	3.1
177.05420	4.1
181.03496	2.3
183.04987	3.5
185.06531	6.2
187.03996	2.8
189.05331	2.7
193.03397	2.2
195.05017	48.5
195.06696	4.2
197.02824	2.6
199.04422	5.2
205.04930	5.5
207.60352	2.4
208.79344	2.4
213.06110	16.4
213.97797	4.4
215.03445	4.8
217.04965	3.1
219.05583	2.5
224.34590	2.2
233.04535	4.9
239.04002	3.1
255.01865	3.5
255.98674	4.0
257.04996	4.9
279.04767	100.0
279.09305	3.9
280.05048	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	279.056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70822	0.7
56.96561	13.5
57.07059	0.8
60.04526	0.9
65.41017	0.9
69.78854	5.6
77.00895	1.1
81.03404	1.1
82.06581	1.0
84.08136	7.0
84.54579	0.8
84.96028	3.9
85.02936	0.9
89.03360	0.9
90.63093	1.1
97.02882	1.0
98.97581	12.7
98.98226	1.0
98.98515	1.1
100.50555	0.9
101.00876	16.6
102.01030	0.9
110.97565	1.1
114.24102	0.9
116.98622	7.8
119.01916	80.4
120.02022	2.3
121.01683	2.2
124.99123	1.1
128.98598	2.1
130.08615	2.5
131.00212	1.3
131.01907	3.7
133.03429	1.3
134.99666	5.6
136.94034	5.5
137.02959	20.0
140.98637	1.5
142.03481	1.7
143.00201	6.2
143.01884	25.6
143.03020	1.4
145.03484	2.2
146.99638	1.7
149.02333	4.0
154.94212	1.1
155.01801	1.5
157.03560	1.3
158.99664	5.2
159.01326	1.7
159.30759	1.0
161.01309	8.1
161.02945	100.0
162.03111	1.6
163.02675	1.1
171.01440	1.6
173.02963	9.8
175.04506	1.4
177.00804	7.2
177.02460	19.0
179.03999	4.4
184.04509	2.3
188.98035	1.1
189.00951	1.2
189.02484	5.2
191.04016	13.1
195.01784	1.9
195.03485	1.6
203.04008	3.8
209.05159	1.0
212.93221	5.6
213.93196	1.1
214.96561	2.9
219.01665	2.1
219.03528	2.0
221.05099	2.1
230.94244	14.0
231.94347	1.8
233.05019	13.3
236.93964	1.3
237.02803	19.0
238.96378	1.0
245.93924	1.2
248.95273	1.1
254.94316	6.7
255.03845	33.3
255.94640	1.1
255.99243	1.3
256.97565	6.3
261.04694	8.6
272.95331	30.0
273.04947	2.3
273.92496	1.1
273.95447	4.0
279.03397	2.7
279.06015	17.3
279.15613	1.5
279.99188	1.9
290.96350	1.5
297.05017	11.2
297.07404	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.2
56.05026	1.6
56.96556	2.3
57.07055	1.3
69.03430	1.4
69.07053	1.2
69.96061	0.9
70.06589	1.4
71.04263	2.5
71.04626	2.5
73.62983	1.1
74.02438	2.6
74.94476	1.0
76.02238	1.3
78.50044	1.2
79.05495	3.9
81.07056	11.8
82.06564	1.3
84.08122	3.7
84.75243	1.1
89.03944	1.1
90.99777	1.1
91.05465	4.1
93.35942	1.2
98.09702	2.6
103.05453	3.8
105.07050	2.5
110.09652	1.3
115.05439	3.8
116.01697	3.0
117.07011	2.8
119.04893	1.4
123.04443	10.9
128.06219	1.4
129.07019	7.8
131.04893	6.8
133.06522	3.5
134.05995	3.8
135.04410	4.8
137.05952	2.5
139.03914	3.6
141.06981	3.2
143.04913	3.2
143.08566	2.0
145.05235	3.3
145.06488	8.9
146.06003	4.7
147.04401	9.8
149.02335	2.4
149.05956	6.7
152.07109	1.8
153.01808	7.9
154.07753	2.3
155.04918	3.0
155.08646	1.5
157.06438	5.7
157.08670	1.2
159.04362	2.3
160.05177	3.2
160.79916	1.2
161.05986	46.8
162.05504	100.0
163.06293	48.4
163.07503	2.7
164.07025	3.1
165.05527	3.0
169.10095	8.5
173.05988	60.7
173.09631	1.6
174.06602	1.3
175.03954	1.3
175.06227	1.8
175.07555	7.5
176.07025	2.9
177.05527	6.2
179.08498	3.2
181.06502	1.3
186.06674	3.2
187.07599	3.6
189.09201	2.1
191.07040	2.3
193.04930	3.8
197.09625	9.6
200.08328	1.3
201.05450	3.4
201.09048	8.0
203.10770	2.0
207.06461	2.0
208.06052	100.0
215.10692	24.4
217.12263	1.5
219.06561	14.8
219.10052	7.5
230.11711	1.3
232.13312	32.1
234.14841	4.2
238.57448	1.3
243.10173	4.7
260.11301	2.3
261.11188	13.5
278.13876	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.2
56.05026	1.6
56.96556	2.3
57.07055	1.3
69.03430	1.4
69.07053	1.2
69.96061	0.9
70.06589	1.4
71.04263	2.5
71.04626	2.5
73.62983	1.1
74.02438	2.6
74.94476	1.0
76.02238	1.3
78.50044	1.2
79.05495	3.9
81.07056	11.8
82.06564	1.3
84.08122	3.7
84.75243	1.1
89.03944	1.1
90.99777	1.1
91.05465	4.1
93.35942	1.2
98.09702	2.6
103.05453	3.8
105.07050	2.5
110.09652	1.3
115.05439	3.8
116.01697	3.0
117.07011	2.8
119.04893	1.4
123.04443	10.9
128.06219	1.4
129.07019	7.8
131.04893	6.8
133.06522	3.5
134.05995	3.8
135.04410	4.8
137.05952	2.5
139.03914	3.6
141.06981	3.2
143.04913	3.2
143.08566	2.0
145.05235	3.3
145.06488	8.9
146.06003	4.7
147.04401	9.8
149.02335	2.4
149.05956	6.7
152.07109	1.8
153.01808	7.9
154.07753	2.3
155.04918	3.0
155.08646	1.5
157.06438	5.7
157.08670	1.2
159.04362	2.3
160.05177	3.2
160.79916	1.2
161.05986	46.8
162.05504	100.0
163.06293	48.4
163.07503	2.7
164.07025	3.1
165.05527	3.0
169.10095	8.5
173.05988	60.7
173.09631	1.6
174.06602	1.3
175.03954	1.3
175.06227	1.8
175.07555	7.5
176.07025	2.9
177.05527	6.2
179.08498	3.2
181.06502	1.3
186.06674	3.2
187.07599	3.6
189.09201	2.1
191.07040	2.3
193.04930	3.8
197.09625	9.6
200.08328	1.3
201.05450	3.4
201.09048	8.0
203.10770	2.0
207.06461	2.0
208.06052	100.0
215.10692	24.4
217.12263	1.5
219.06561	14.8
219.10052	7.5
230.11711	1.3
232.13312	32.1
234.14841	4.2
238.57448	1.3
243.10173	4.7
260.11301	2.3
261.11188	13.5
278.13876	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03936	2.7
55.01870	1.5
55.05509	15.6
57.03424	2.6
57.07076	7.9
58.98616	1.5
59.04984	5.5
61.84373	1.4
67.05164	2.7
67.05502	33.8
69.03429	18.4
69.07068	21.5
69.58183	2.0
69.58574	11.7
71.04989	14.8
79.05051	2.5
79.05488	27.9
81.03425	7.5
81.07052	63.4
83.04981	19.0
83.08604	14.4
85.06545	17.5
91.05470	16.5
93.07042	63.5
95.04955	7.0
95.08601	40.8
97.06525	8.6
97.10152	3.8
99.08085	1.9
105.06375	2.7
105.07027	34.9
107.04959	2.4
107.07862	2.7
107.08590	49.9
109.06522	19.6
109.10151	58.3
111.08085	15.6
113.09655	22.1
117.07007	3.8
119.08575	37.5
121.06483	6.1
121.10142	76.2
122.07289	3.7
123.08071	12.3
123.11694	29.2
125.09595	8.6
129.09157	1.9
131.08559	10.3
133.10127	43.8
135.08034	6.1
135.11688	40.6
137.09610	28.6
137.13254	2.5
139.11174	16.3
143.08551	4.2
145.10106	15.7
147.08055	3.4
147.11671	17.2
149.09607	15.0
149.13249	12.4
149.67538	1.5
151.11179	53.7
157.10130	7.1
159.11702	13.4
161.09622	4.8
161.13263	20.0
163.11148	4.2
165.12759	6.2
171.11725	4.6
173.13321	5.9
175.11186	6.2
175.14828	37.6
179.14301	2.6
185.13245	14.1
189.12785	4.0
189.16464	1.8
193.15909	7.9
199.14819	4.3
201.16364	16.8
203.14288	12.0
215.17935	2.4
217.15897	3.1
217.19565	4.8
219.17357	3.6
221.15274	2.5
234.64151	1.5
241.19524	8.0
259.20563	18.5
277.21619	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	Stearidonic Acid
Peak:m/z	Relative Intensity
51.02377	1.3
53.03949	4.5
53.91226	0.8
55.01855	1.5
55.05263	1.3
55.05507	17.4
57.07051	3.5
58.92934	0.9
65.03925	1.3
67.05499	35.2
69.03400	0.8
69.07061	15.7
69.33673	1.3
69.34072	8.1
71.04980	2.2
71.08624	0.9
74.53188	0.8
77.03914	1.3
79.05486	77.4
79.26277	0.7
81.03405	1.3
81.06571	1.6
81.07048	32.5
82.88538	0.8
83.04942	1.2
83.08598	6.0
85.06514	1.5
91.04895	1.1
91.05470	30.7
93.07034	100.0
95.04956	9.6
95.08600	26.2
97.06524	2.0
97.10181	4.6
105.04481	1.0
105.06364	1.4
105.07021	14.2
107.08585	49.9
109.06492	3.2
109.10155	13.7
117.06997	3.7
119.08574	11.1
121.06497	0.8
121.10136	42.2
121.11027	2.0
123.11696	2.4
125.09632	1.1
129.06999	1.9
131.08542	3.7
133.10118	12.0
135.08035	1.2
135.11678	47.4
137.13194	1.0
143.08551	2.6
145.10098	2.8
147.11688	8.0
149.13242	22.1
157.10089	2.1
159.11685	2.5
161.09613	1.1
161.13223	5.0
163.11200	0.8
163.14806	4.2
171.11702	3.2
173.13268	2.5
175.14790	3.0
177.12717	1.6
181.12201	1.2
185.13264	2.0
189.12643	1.6
195.13829	2.1
199.14798	2.2
201.37721	1.0
201.64403	0.9
207.13817	2.0
213.16351	0.9
221.15315	3.1
235.16910	5.1
241.19495	1.7
259.20541	2.5
277.21594	62.9
278.21896	1.4
288.02023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22584	10.5
56.96564	19.5
62.50377	8.0
65.97651	8.9
69.03403	9.5
69.53645	77.5
79.19579	9.7
85.02919	14.1
98.97574	15.3
101.00883	20.9
116.98607	15.9
119.01901	100.0
131.01933	25.7
133.03542	11.6
137.02953	30.5
143.01921	18.1
145.03506	15.5
149.15607	10.2
151.04488	9.3
157.03488	26.8
161.02957	64.8
173.02914	18.0
175.04510	29.2
185.03018	16.7
191.04053	13.7
245.05087	21.3
277.03162	32.4
277.07730	72.2
287.35202	9.3
295.08807	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
58.06594	0.3
58.99862	1.6
59.04997	0.3
59.06113	0.4
68.02621	0.4
69.03421	2.2
70.99857	0.5
71.04993	2.0
71.58720	0.4
71.59071	0.3
72.95383	0.3
77.00905	2.9
79.45868	0.4
81.03416	5.4
82.99882	1.3
85.02911	2.2
86.99358	0.3
89.00901	0.7
95.01918	1.0
97.01381	0.5
97.02867	0.6
97.07629	1.0
99.04454	2.5
100.00094	1.4
101.00873	13.2
103.02434	0.5
105.00361	0.6
109.02876	6.7
113.00863	1.1
115.02444	2.9
117.10229	0.4
118.01128	4.0
119.01913	62.8
120.02025	0.8
127.02390	0.7
127.03940	0.5
129.03954	0.8
131.01897	6.1
133.01724	0.5
133.03467	10.3
135.01343	0.5
136.02162	0.6
137.02948	16.3
138.01663	0.5
139.02373	2.5
141.00435	0.4
142.01112	2.4
142.03476	0.6
143.01881	7.9
143.03020	0.4
144.02649	1.3
145.03467	12.7
145.04659	0.7
147.01361	2.0
147.05006	1.5
149.02948	1.4
151.04517	2.5
153.02412	0.6
155.01851	1.0
156.02670	5.1
157.03461	33.3
158.03609	0.4
159.01408	3.8
159.04987	3.1
160.02170	6.0
161.02954	30.1
163.04529	2.5
166.01123	0.6
167.01836	2.6
168.02641	0.5
169.03519	2.1
171.05023	3.2
173.02925	1.8
174.03712	1.1
175.04517	28.8
176.04558	0.5
177.02461	1.3
178.03174	1.1
179.03993	2.1
181.03362	0.6
183.05052	3.6
184.02180	2.8
184.04601	0.5
185.02946	15.9
186.03645	0.8
187.04514	6.0
189.06049	2.0
191.02167	0.5
191.03905	0.6
193.05586	0.6
197.02927	0.5
198.06227	0.4
199.04501	7.4
199.06190	0.6
201.06062	6.0
202.03256	1.3
203.04004	12.0
204.24072	0.4
205.03824	0.5
205.05621	0.8
208.04538	0.5
209.02925	1.1
217.05574	7.8
219.03453	0.6
219.07043	0.4
221.05043	1.8
227.04001	2.1
235.06604	4.5
245.05038	4.2
253.07657	4.4
259.06625	5.6
263.06113	1.3
277.07654	72.5
278.07867	2.2
295.08722	100.0
296.08884	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	275.2731
Annotation	Kaurane
Peak:m/z	Relative Intensity
50.33379	1.2
55.05504	18.4
57.07072	9.0
67.05500	30.8
69.06722	1.8
69.07065	28.0
69.62169	1.3
71.08612	3.3
71.59868	1.7
77.03907	1.4
77.68139	1.3
79.05499	12.1
81.07050	100.0
82.07296	1.4
83.08607	13.6
85.10183	2.8
91.05450	7.5
93.07033	19.2
95.08600	85.1
97.10152	12.0
105.07033	9.7
107.04927	2.0
107.08591	22.2
109.06537	1.7
109.10143	57.5
111.11736	7.3
119.08540	4.2
121.10141	12.0
123.11701	24.0
125.13284	2.2
131.08562	2.2
133.10095	3.5
135.11676	12.2
137.13222	10.4
147.11632	3.8
149.09538	1.6
149.13216	12.6
151.14812	5.8
159.11574	1.5
161.13243	1.4
163.14786	6.3
165.16376	2.7
177.16386	2.4
206.19734	1.6
219.21039	1.8
262.93073	1.3
275.20053	11.9
275.27390	42.6
276.27515	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29041	3.9
56.96560	11.0
69.79297	23.2
85.65644	3.6
87.72584	3.6
98.20748	7.0
98.97579	70.8
101.00883	14.5
109.02883	5.8
116.98615	77.8
119.01915	57.6
131.02008	4.4
133.03474	10.3
134.99649	55.2
137.02063	3.5
137.02931	19.5
143.01897	4.7
143.82538	3.3
145.03465	4.1
145.45686	3.5
151.04584	4.0
152.97025	4.2
153.00684	8.5
157.03459	28.3
161.02968	28.5
163.03825	7.4
167.55327	4.3
167.78050	3.8
175.04523	24.9
177.00970	14.9
179.00700	7.1
185.02939	12.4
199.04497	5.0
201.06210	5.0
203.03976	8.3
219.02005	25.4
221.01886	4.5
228.96526	3.7
235.17047	11.2
240.98820	5.2
258.99744	54.8
276.97592	6.5
277.00714	100.0
277.07602	49.3
277.17917	6.8
294.97870	7.6
295.08746	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.05514	17.5
56.96547	6.0
57.07082	3.6
59.05011	4.0
67.05498	18.6
69.03423	8.8
69.05317	3.4
69.07057	14.8
71.04985	6.2
71.21172	6.4
79.05493	29.8
81.03425	7.7
81.07050	24.6
82.83500	3.4
83.04971	16.0
83.08609	6.3
85.06541	36.8
87.73920	3.3
91.05457	18.2
93.07059	21.7
95.04989	8.1
95.08597	20.3
97.06518	7.2
98.97545	5.1
99.08096	11.8
103.05454	6.3
105.07027	25.9
107.04966	15.1
107.08588	28.3
109.02829	3.5
109.06506	7.5
109.10143	21.7
111.08058	8.4
117.07021	6.2
118.06522	8.2
119.01939	14.3
119.04887	5.8
119.08583	25.7
121.06499	10.2
121.10128	43.8
122.07276	14.3
123.04436	8.0
123.08076	4.3
125.09617	7.5
129.07071	5.2
131.04938	10.6
131.08554	17.5
133.10141	26.4
135.08054	8.1
135.11707	14.5
137.09619	73.9
139.11189	7.9
143.08571	4.1
145.03499	3.8
145.10138	20.8
147.04411	11.2
147.08110	4.5
147.11705	9.0
149.09644	19.5
149.13263	5.0
157.10117	5.9
159.08037	7.2
159.11702	15.6
161.03004	4.6
161.09654	7.8
163.11183	18.1
163.14815	5.4
171.11789	5.4
173.09653	7.4
173.13243	24.3
175.11130	4.1
175.14868	8.0
176.14343	30.2
183.11737	6.0
185.02998	7.7
187.07556	4.5
187.11107	4.6
187.14801	8.4
191.14348	15.5
199.14824	11.8
201.12750	8.6
203.03969	17.2
215.14397	5.8
217.15877	13.4
219.13866	6.3
229.19576	3.8
233.04688	3.7
257.18933	21.8
275.05630	5.7
275.09253	12.4
275.13602	4.8
275.16934	5.3
275.20081	100.0
275.23221	7.5
276.12283	3.9
276.19531	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
51.38194	2.3
55.01867	5.4
55.05507	18.5
57.07075	2.9
67.05499	25.5
69.07059	12.3
70.06586	3.6
79.05496	33.4
79.39009	2.2
81.07052	27.3
83.04965	2.4
83.08607	8.0
83.46554	2.5
91.04970	3.4
91.05480	43.5
93.07028	29.2
95.04971	6.9
95.08607	18.4
97.06483	4.7
97.10126	2.4
98.20604	5.7
103.05456	2.6
105.07028	59.7
107.04882	2.7
107.08581	26.1
107.15812	2.2
109.06484	7.0
109.10143	9.9
111.08089	3.1
117.07021	11.2
119.07771	4.5
119.08572	45.0
121.06474	3.2
121.10143	10.9
125.09624	2.8
131.08539	16.9
133.06416	3.3
133.10121	41.1
135.08049	5.0
135.11668	5.7
137.09592	4.2
143.08546	5.2
145.10126	20.1
147.07921	2.5
147.11690	21.7
149.09630	13.4
149.13181	5.0
151.11189	4.9
155.08530	4.9
157.10109	5.0
159.11674	12.4
161.13307	7.0
163.11189	10.5
171.11739	3.4
173.13284	5.6
175.11194	3.4
183.11763	4.4
189.12810	2.7
197.13336	4.1
201.12698	2.9
229.19452	3.9
239.17850	14.7
257.18860	15.2
260.16116	3.1
275.20050	100.0
275.27811	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	275.2004
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.33628	1.1
53.03933	2.7
55.01862	2.9
55.05306	1.3
55.05515	14.1
57.03425	5.1
57.07068	2.7
67.05503	19.2
67.22560	1.3
69.03416	2.2
69.07063	14.0
70.07065	7.3
71.04981	5.7
79.05491	24.5
81.07051	35.9
82.44167	1.5
83.04990	3.9
83.08606	5.2
85.06549	3.3
90.76413	1.3
90.99831	1.3
91.05476	41.3
93.07039	26.1
95.04967	6.9
95.08605	19.0
97.06525	2.6
103.05455	3.0
105.07027	61.5
107.04932	6.2
107.08580	18.7
109.06521	13.2
109.10134	8.2
111.08057	3.1
115.05453	2.1
117.07024	12.5
119.08574	44.6
121.06480	5.4
121.10130	13.0
123.08055	6.8
123.11648	2.8
129.06999	4.3
131.08569	18.5
133.10126	39.4
135.08044	12.5
135.11662	6.3
137.09598	5.4
141.06998	1.9
142.07764	2.3
143.08553	6.4
145.10121	17.0
147.08029	3.0
147.11679	18.9
149.09641	7.8
149.13219	3.0
151.11145	2.4
155.08563	2.5
157.10150	9.5
158.10889	3.4
159.11696	18.0
161.09583	3.3
161.13219	7.2
163.11189	4.7
169.10110	2.7
170.10912	2.0
171.11690	4.8
173.13254	20.8
174.13879	1.9
175.11163	4.4
175.14783	4.5
177.12741	4.8
183.11717	5.3
185.13234	3.5
187.11081	2.5
187.14838	3.5
191.14285	2.4
197.13268	5.5
199.14787	5.8
201.12680	4.1
201.16318	1.6
203.14372	2.4
213.16331	2.0
215.18184	1.8
229.19501	2.0
239.17966	8.3
247.20616	4.1
257.19000	14.5
275.20050	100.0
275.27713	11.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2575
Annotation	Trixagoene
Peak:m/z	Relative Intensity
51.97033	4.0
54.84326	3.8
54.94709	4.7
55.05500	20.8
55.95004	4.1
57.07076	11.0
67.05511	27.9
69.07063	38.3
70.27180	9.2
70.27572	8.7
79.05490	12.4
81.07056	83.8
83.08629	17.1
91.05489	19.0
93.07030	38.4
95.08611	83.4
95.09171	2.6
97.10169	10.1
105.07037	25.6
107.08582	56.4
109.10152	58.9
119.08578	27.2
121.10144	43.9
123.11703	40.2
133.10118	21.2
135.11678	22.7
137.13255	13.3
141.87350	4.8
147.11690	17.8
149.13245	46.1
151.14789	6.8
161.13258	27.8
163.14867	23.9
175.14833	12.9
177.16376	18.8
189.16414	15.6
191.17944	12.9
203.17989	15.6
217.19551	23.2
219.84390	4.8
245.84805	4.3
264.99969	4.8
273.18500	5.5
273.22760	5.3
273.25748	100.0
273.28470	7.8
279.18356	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	275.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87406	1.9
56.35263	2.2
56.96563	82.3
58.06564	2.2
61.02917	3.2
63.43436	1.9
64.35984	1.9
66.17984	2.3
66.92880	2.4
68.99734	2.1
69.03400	2.3
70.98116	31.6
71.33736	5.1
74.97601	4.8
82.64719	2.0
84.95984	3.1
85.02902	4.7
88.98782	1.7
88.99161	17.0
95.04968	2.8
97.02913	3.3
98.97572	17.4
107.00169	7.3
107.04916	14.1
110.97579	2.8
116.98611	16.0
119.01913	9.4
123.46321	2.1
125.01242	2.8
125.07095	7.5
127.03896	2.4
128.98625	8.4
134.99641	9.7
146.99640	15.5
154.96533	2.7
165.00717	27.8
172.97575	18.1
174.99014	2.7
177.00662	3.0
183.01817	5.2
188.97128	3.1
190.98622	100.0
193.00172	5.3
205.00194	9.8
208.99698	26.0
214.00201	3.4
214.98602	2.9
218.98102	24.8
223.01262	7.8
232.99648	35.5
233.01636	3.4
236.99187	11.5
251.00699	23.5
275.01736	4.8
275.07446	5.1
275.10739	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	273.2212
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05503	11.1
56.96557	2.8
58.94486	3.3
61.32525	3.0
62.35129	2.6
67.05499	11.2
69.07055	11.9
70.06565	4.1
71.04990	10.7
71.60079	4.3
75.38853	2.5
79.05486	9.1
81.07056	38.5
85.06584	3.0
91.05478	12.9
93.07048	16.9
95.04969	6.4
95.08601	27.0
97.10168	4.3
105.07023	31.9
107.04910	3.7
107.08579	24.4
109.06513	9.0
109.10148	13.0
111.08094	14.2
112.99089	3.2
113.09622	6.1
117.07026	6.5
119.08579	50.7
121.06390	2.8
121.10180	19.4
123.04440	4.9
123.11705	11.7
131.08582	19.6
133.10107	13.0
135.11678	6.5
142.07780	4.4
143.08551	9.6
144.09422	2.9
145.10123	29.5
147.11661	8.7
149.13252	6.4
157.10149	14.8
159.11710	39.4
161.13255	11.2
163.11224	3.9
163.14848	3.7
165.53134	2.9
171.11665	4.6
173.13284	15.7
175.14775	6.1
177.12685	6.5
185.13269	11.6
187.14763	7.1
199.14818	12.9
213.16386	10.5
215.17963	58.0
226.01385	7.8
227.05847	4.9
229.19551	11.6
245.06998	8.7
255.21088	53.6
273.04047	3.7
273.07324	5.4
273.18555	21.0
273.22113	100.0
273.29929	5.2
274.27414	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	273.1847
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.08572	1.2
53.03917	1.6
55.05508	6.0
57.07057	3.1
59.04993	2.7
67.05499	8.6
69.03386	2.9
69.07049	7.6
69.18977	1.2
69.80470	5.2
69.80879	3.1
71.04969	5.0
79.05466	4.8
81.07046	14.2
83.04964	3.7
83.08598	3.8
85.02872	1.6
85.06522	5.9
91.05468	9.4
93.07028	9.4
95.04967	21.9
95.08599	8.3
97.06496	1.6
98.97561	2.7
99.08069	2.6
105.07021	17.6
107.08588	9.9
109.06515	28.6
109.10165	11.1
111.08095	6.1
117.07014	4.4
119.04922	3.8
119.08572	25.4
121.06498	3.1
121.10125	8.9
122.07278	1.4
123.04388	4.6
123.08060	24.7
123.11659	4.7
123.48970	1.3
128.06140	2.0
129.07016	6.5
130.07800	2.6
131.08528	15.3
133.06490	1.8
133.10114	12.3
134.99602	1.5
135.08067	9.3
135.11679	4.6
137.09619	7.9
142.07750	7.6
143.08537	11.6
144.09311	1.9
145.10110	38.0
147.04376	2.0
147.07990	4.4
147.11671	17.3
149.09595	3.6
149.13264	2.3
151.07524	3.9
151.11162	5.1
153.01807	2.1
155.08510	3.6
156.09335	12.2
157.10114	24.8
158.10860	5.7
159.08051	4.4
159.11662	8.4
160.08807	1.7
161.09604	5.2
161.13251	4.4
163.11160	3.4
163.14738	2.2
165.06993	1.7
169.10123	5.9
170.10916	3.0
171.11670	22.0
172.12462	2.7
173.09641	12.9
173.13237	25.9
174.10344	3.5
175.11194	12.3
177.00650	1.6
177.12775	1.7
179.08458	1.4
180.09225	1.4
181.10133	3.6
182.10916	5.6
183.11652	4.5
184.08752	1.5
185.09616	2.9
185.13202	9.9
187.11177	14.6
187.14856	7.6
189.12767	20.0
192.61264	1.3
195.11627	4.7
197.13239	16.0
199.11147	12.6
200.11902	1.7
203.14310	6.1
203.17953	2.0
211.11163	1.7
211.14775	4.0
212.15616	2.9
213.12781	6.5
213.16353	12.1
214.13489	2.2
215.14304	41.2
217.12193	8.2
222.13991	2.2
225.12625	3.5
227.17908	2.7
229.15880	4.2
230.16690	2.1
231.17416	13.4
237.16364	4.6
240.15054	2.9
243.13800	1.8
255.17410	33.2
264.14899	2.5
273.07324	3.6
273.18469	100.0
273.25888	5.5
274.18835	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
51.02373	0.4
53.00293	0.3
53.03949	0.6
55.01868	0.4
55.05509	0.8
57.07077	0.3
58.49661	0.3
62.74897	0.3
63.38055	0.3
64.98032	0.3
66.22980	0.2
66.71954	0.3
67.05507	1.6
68.99796	1.7
69.07066	1.0
71.27158	0.6
77.03918	1.2
77.07247	0.3
79.05485	0.9
81.07058	2.6
83.04934	0.3
89.03919	0.3
91.05471	1.2
93.07038	1.2
95.04958	2.3
95.08603	1.6
98.97589	0.7
101.65478	0.3
105.03383	2.2
105.07052	0.5
107.04941	1.5
107.08595	1.7
109.10148	1.3
111.00793	3.2
111.04421	0.6
116.98650	0.6
117.03389	0.4
117.07006	0.3
119.04949	1.6
119.08562	0.6
121.02881	0.6
121.10137	1.0
123.04423	100.0
123.11658	0.4
124.04778	1.6
127.03931	0.3
133.06514	0.5
133.10152	0.5
135.04402	5.8
135.11702	0.5
139.03903	3.2
143.04901	0.4
145.06450	0.6
145.10147	0.3
147.04399	8.9
149.13264	0.6
151.03885	2.1
153.01816	2.9
153.06929	0.7
158.99670	0.5
161.05992	1.0
161.13399	0.3
163.03899	5.8
163.07492	1.6
163.14815	0.7
169.06638	0.3
171.08096	0.3
181.06531	0.9
184.33000	0.3
189.05476	4.2
192.07086	0.3
199.07585	1.2
203.07123	0.6
213.05463	0.6
217.19453	0.5
227.07005	1.0
231.06566	1.5
245.08096	1.1
255.06482	2.1
273.07562	20.6
273.19312	0.4
273.25778	2.5
274.07626	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.22146	0.4
57.04074	0.3
60.99107	0.3
67.01863	2.0
68.99787	2.4
69.03421	1.2
69.07058	0.5
71.05588	1.0
71.85271	0.4
81.07051	0.5
83.01351	0.7
89.38625	0.4
91.05480	7.6
95.04968	2.4
95.08600	0.6
97.02905	0.9
107.04971	2.4
109.10153	0.6
111.00767	0.4
119.04942	18.9
120.05280	0.4
121.02855	0.4
123.04416	5.0
123.11732	0.5
147.04404	43.9
148.04723	0.7
149.13220	0.4
151.03896	0.8
153.01820	100.0
154.02158	1.2
171.02913	3.0
179.03378	0.9
181.06421	0.4
189.05434	1.2
231.06395	0.4
273.07556	69.6
273.25897	0.6
274.07974	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	Unknow
Peak:m/z	Relative Intensity
56.96555	0.6
67.01865	2.3
67.05486	0.5
68.99792	2.6
69.03419	1.8
69.07056	0.7
69.42760	1.8
69.43187	2.2
79.05504	0.6
81.07050	0.8
83.01341	0.8
91.05471	7.3
92.02366	0.4
93.07061	0.8
95.04972	2.4
95.08620	0.8
97.02891	1.2
107.04958	2.2
107.08633	0.6
111.00767	1.0
119.04089	1.0
119.04941	18.5
121.02822	0.6
121.06505	1.1
123.04422	8.5
131.04889	0.5
135.04425	0.6
147.04407	44.7
148.04826	0.8
149.05962	1.3
149.13206	0.5
151.03909	1.1
151.07581	0.8
152.06190	0.6
153.01823	100.0
153.06935	2.2
154.02171	0.9
163.03973	0.6
170.07193	0.6
171.02870	8.3
171.04234	0.8
179.03302	1.0
181.06496	2.0
189.05426	1.2
195.08238	0.5
213.09137	1.1
241.08591	1.0
255.06456	0.9
273.07565	81.9
273.25720	0.8
274.07935	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	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04660	0.4
55.01883	0.5
55.05507	0.4
67.01530	0.4
67.01862	5.3
68.99777	3.4
69.03415	1.3
69.07067	0.6
71.10328	1.0
71.96806	0.4
79.01857	0.4
81.03407	0.6
81.07063	0.9
83.01350	0.8
85.02947	0.4
91.05476	6.5
93.07053	0.5
95.04958	2.1
95.08607	0.8
97.02860	1.8
98.97566	0.5
105.07036	0.4
105.73266	0.3
106.69682	0.4
107.04972	2.9
107.08595	0.5
109.10134	0.6
111.00817	0.7
116.18151	0.4
119.04942	14.4
121.02882	0.8
121.06503	1.7
122.57068	0.3
123.04421	7.1
123.11697	0.4
124.55412	0.4
125.02326	1.0
126.95423	0.4
127.03905	0.5
129.01785	0.5
129.13898	0.4
135.11725	0.6
139.03928	0.5
147.04402	38.6
148.04749	0.7
149.05983	1.0
151.03908	0.9
151.07532	0.4
152.06163	0.4
153.01819	100.0
153.06924	1.9
154.02135	1.1
160.68214	0.4
171.02879	22.2
179.03386	1.6
181.06534	2.3
189.05470	1.0
198.06802	0.4
213.05470	0.4
213.09096	1.6
227.07059	0.6
231.06511	0.9
241.08572	1.3
245.04645	0.5
255.06470	2.2
273.07556	65.4
273.25696	1.2
274.07855	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	Dihydrogenistein
Peak:m/z	Relative Intensity
51.02368	0.3
53.03938	0.7
55.01843	0.3
56.96565	0.3
60.17237	0.2
64.84480	0.2
65.32590	0.2
68.99785	0.4
69.03414	0.3
69.94033	0.9
69.94444	0.6
79.05489	1.0
81.07041	0.3
85.02905	0.3
85.32095	0.3
87.85246	0.2
91.05479	0.5
95.04977	1.5
95.08577	0.3
97.02886	0.5
106.78665	0.3
107.04952	100.0
107.11736	0.2
108.05287	1.0
109.10176	0.3
110.55145	0.3
111.04471	0.6
111.29819	0.2
119.04955	1.0
121.97581	0.3
123.04429	4.0
133.10115	0.3
139.03885	0.5
142.38715	0.2
143.20232	0.2
147.04393	2.9
149.02348	0.4
149.05989	0.3
153.01836	5.2
153.07019	0.4
154.18175	0.2
161.05937	0.3
163.03918	0.4
167.03412	4.6
167.04730	0.4
169.06514	0.3
181.06494	0.4
225.23390	0.3
241.08575	0.5
245.04218	0.2
273.04016	1.2
273.07544	7.5
273.10699	0.3
273.16559	1.8
285.07581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	Corynesidone A
Peak:m/z	Relative Intensity
51.02372	0.3
53.03936	0.6
56.96562	0.7
67.05515	0.2
68.99789	0.3
69.03432	0.3
71.59607	0.2
77.03922	0.3
79.05488	1.3
81.03401	0.3
81.07028	0.3
83.04950	0.2
85.02898	0.8
91.05487	0.4
95.04959	1.4
95.08547	0.2
95.15158	0.2
97.02878	0.8
98.97573	0.6
102.23096	0.2
105.03428	0.2
105.07015	0.3
107.04951	100.0
108.05284	1.2
111.00803	0.2
111.04445	0.7
116.98610	0.4
119.04938	0.6
123.04428	3.9
127.03918	0.3
135.04402	0.3
139.03905	0.7
145.04926	0.2
147.04372	1.2
149.02272	0.3
153.01813	2.1
153.07005	0.5
157.06493	0.2
161.01219	0.2
163.03928	0.4
167.03400	4.0
171.02881	0.3
181.06480	0.5
181.39851	0.2
189.05571	0.3
189.50253	0.2
213.09143	0.5
231.20547	0.2
237.02719	0.2
241.08664	0.3
243.04070	0.2
248.72479	0.2
253.05389	0.2
261.05289	0.3
273.04056	0.7
273.07568	4.5
273.10773	0.3
273.16788	0.8
273.25613	0.4
274.04724	0.2
285.07584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
61.01912	0.4
67.01863	2.2
68.99790	1.9
69.03423	1.3
69.29200	4.8
81.02971	0.4
88.32955	0.4
91.05486	6.8
95.04951	2.0
97.02878	0.7
103.05445	0.5
107.04938	2.5
111.00764	0.8
119.04939	16.1
121.02849	0.5
123.04421	6.1
131.04863	0.5
138.79120	0.4
147.04402	47.5
148.04790	1.1
151.03894	1.1
153.01820	100.0
154.02135	1.0
161.05989	0.6
163.07646	0.4
171.02872	4.7
179.03384	1.2
181.06438	0.6
187.58537	0.4
189.05444	1.5
231.06581	0.5
255.06506	0.8
273.07556	79.4
274.07925	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	273.0755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.4
60.30193	0.4
61.63851	0.4
65.03949	0.4
67.01862	2.8
68.99777	2.3
69.03423	1.5
69.65391	3.0
71.88956	0.4
79.80149	0.3
86.11070	0.4
91.05479	7.8
95.04953	1.9
97.02884	1.1
98.20698	0.5
105.38713	0.4
107.04959	2.5
111.00800	0.7
119.04945	16.4
121.02849	0.6
121.06494	0.8
123.04425	6.3
125.02364	0.4
139.38678	0.4
147.04405	43.9
148.04709	0.8
151.03870	0.7
153.01825	100.0
154.02170	1.0
171.02869	4.9
179.03406	0.9
181.06538	0.7
185.61386	0.4
189.05492	1.3
213.05734	0.4
231.06483	0.7
255.06551	0.6
273.07565	85.2
274.07892	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0756
Annotation	Hydramacrophyllol B
Peak:m/z	Relative Intensity
50.01587	0.3
51.02381	0.5
53.03943	0.5
55.01860	0.5
56.96552	0.4
59.83436	0.1
59.88958	0.1
65.03937	0.3
67.01871	0.1
67.05504	1.6
68.99424	0.2
68.99786	2.6
69.03407	0.4
69.07090	0.1
71.59182	0.2
75.85622	0.1
77.03925	1.2
79.01868	0.1
79.05485	0.3
81.03409	0.3
81.07053	0.4
83.04979	0.4
85.02865	0.2
89.03908	0.5
91.05478	1.0
93.07053	0.2
95.04967	2.2
95.05550	0.2
95.08616	0.1
97.02882	0.5
97.06498	0.2
98.97578	0.5
105.03393	1.9
105.04511	0.3
105.07040	0.3
107.04955	1.1
107.08587	0.1
109.02812	0.1
109.10181	0.1
111.00799	3.8
111.04436	0.5
114.12804	0.1
115.05441	0.5
116.98627	0.4
117.03361	0.6
117.06996	0.4
119.04932	1.1
119.08542	0.1
121.02853	0.2
121.06476	0.3
123.04424	100.0
124.04734	0.9
127.03904	0.5
128.06187	0.2
129.03300	0.1
129.05576	0.1
129.07005	0.3
130.06519	0.2
131.04927	0.4
131.08588	0.2
133.06499	0.6
133.10098	0.2
133.28894	0.1
134.99684	0.3
135.04414	5.4
135.08055	0.2
137.02361	0.4
137.05977	0.5
139.03896	6.4
141.06955	0.3
143.04924	0.3
145.06468	0.8
145.10089	0.2
146.99594	0.1
147.04405	10.1
148.04948	0.2
149.02347	0.5
149.05963	0.4
151.03903	1.5
151.07518	0.2
152.06177	0.3
153.01826	2.1
153.02966	0.2
153.06967	0.9
157.06450	0.6
161.01219	0.2
161.05949	1.3
163.03903	2.9
163.07532	2.5
167.08594	0.2
169.06499	0.4
171.04408	0.4
171.06824	0.1
171.08087	0.4
175.07536	0.5
177.00769	0.2
181.06480	1.2
185.05963	0.6
187.07567	0.3
189.05481	3.0
190.05820	0.1
198.06735	0.1
199.07536	1.2
201.09254	0.1
203.07050	0.4
209.06006	0.3
213.05464	0.7
213.09200	0.4
219.01669	0.2
227.07031	1.2
231.06625	0.7
237.02840	0.4
237.05324	0.3
237.11182	0.1
241.08667	0.5
245.04420	1.2
245.08122	0.6
255.06514	1.6
258.05356	0.2
259.05994	0.2
272.06332	0.2
273.07568	24.3
274.07883	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01858	5.8
56.25225	1.5
56.96556	6.6
58.02958	1.9
61.02914	2.6
64.84435	1.3
65.03938	15.2
67.05482	2.0
68.99773	7.3
69.03435	1.4
69.50191	8.5
69.50606	3.5
70.06580	1.7
70.63423	1.4
72.08128	1.7
75.04498	2.1
76.70578	1.7
79.05473	5.7
80.04996	2.1
83.01327	5.2
85.02888	2.5
87.04452	15.0
91.05478	4.6
92.05005	25.9
93.03407	9.6
93.07065	1.9
95.04965	8.7
96.08109	4.7
97.05244	6.4
97.06518	1.5
98.06064	2.2
98.20764	3.6
98.97589	3.1
100.03976	2.1
105.03384	16.2
106.02924	2.5
106.06559	8.4
107.04945	3.6
109.06506	8.2
110.06044	7.5
111.04440	3.9
112.03943	5.7
116.98637	3.1
118.06534	4.1
119.03685	3.2
120.04459	54.8
120.05307	3.8
123.04412	3.3
124.03919	2.8
124.07581	8.6
125.05972	7.1
126.01868	2.0
126.05465	3.9
128.07050	2.3
130.02881	31.2
131.00163	1.5
131.05844	1.5
134.06015	31.5
134.99620	1.9
135.04407	5.2
135.08064	1.6
136.03880	3.0
136.07584	5.6
137.04761	1.9
137.05960	5.6
138.05487	6.6
141.04175	5.3
142.07225	1.7
147.04393	1.9
148.02791	2.7
148.03912	29.2
150.05426	2.0
151.06300	3.3
152.07045	29.5
153.01817	7.0
153.05511	8.1
156.06516	12.2
162.05498	62.7
165.04253	3.1
166.04968	2.1
166.08603	8.5
167.07069	3.4
173.05960	2.7
174.06319	4.3
179.05743	2.0
180.06554	38.0
184.04787	2.9
184.09688	5.0
194.08116	44.1
198.06146	2.4
202.05785	4.2
204.07327	1.9
207.92433	1.9
212.09167	100.0
216.07530	2.5
222.07719	1.8
226.05736	4.3
230.05305	5.2
230.10197	4.6
240.08675	9.3
242.62650	1.6
244.06853	1.9
252.13667	1.5
254.04967	1.6
254.10153	1.9
271.06067	1.8
272.06381	24.2
272.11200	37.7
272.26208	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	272.1129
Annotation	Deidaclin
Peak:m/z	Relative Intensity
55.01866	1.1
56.96564	6.4
57.03436	2.2
57.87634	0.6
61.02925	3.8
65.03703	0.5
65.03941	5.3
67.05491	0.9
69.03432	4.5
69.86578	4.3
70.06580	0.9
71.01344	0.7
71.04989	1.2
73.02910	2.3
80.05006	1.1
81.03413	2.1
85.02900	11.8
85.03375	1.3
86.06051	0.8
87.04459	1.1
92.05000	58.6
93.05799	4.8
94.06562	9.6
96.04482	0.8
96.08128	2.6
97.02885	6.4
98.21488	1.0
98.97578	3.0
99.04457	1.1
107.04942	1.1
109.02882	1.6
110.06036	100.0
110.07219	3.1
116.98597	1.8
119.01850	1.6
122.06034	1.3
127.00832	0.8
127.03907	2.9
131.00134	2.1
131.01883	1.0
134.99657	0.8
135.03236	0.7
135.48863	0.7
136.10023	0.7
145.01674	1.2
145.04927	1.5
149.01248	1.0
149.06581	1.0
152.07080	2.4
153.05745	2.5
153.55879	1.0
154.03944	1.1
161.01198	1.2
161.54439	0.9
162.03584	1.1
162.06393	1.1
163.02942	1.6
163.04390	5.7
169.04405	5.8
170.05240	1.0
172.95206	1.3
178.04921	13.5
178.55028	1.2
181.03831	0.8
182.08150	1.2
184.04851	1.1
190.05199	0.8
191.03938	1.3
193.01926	0.7
248.99200	2.7
254.10217	3.0
272.08578	1.3
272.11267	31.1
272.16025	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	271.2417
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.01868	2.5
55.05505	7.8
56.96558	2.2
57.07064	3.0
65.03929	1.3
67.05498	15.7
68.99435	1.3
68.99786	15.3
69.03407	2.3
69.06377	1.0
69.07069	14.4
70.76279	3.5
71.08630	1.3
73.02884	1.1
76.70283	1.0
79.05486	11.6
81.03396	1.2
81.07051	33.0
83.08633	5.2
85.02898	1.1
91.05477	12.6
92.06232	1.2
93.07044	19.4
95.04964	1.9
95.08601	33.7
97.02866	2.4
97.10136	3.0
98.97562	2.1
100.70199	1.0
103.05452	1.8
105.06373	1.9
105.07018	20.3
107.04958	3.0
107.08591	24.0
109.06548	1.6
109.10141	24.4
111.00769	2.2
111.11706	1.2
115.05510	1.3
117.07023	5.1
118.06549	1.4
119.04909	2.4
119.08578	20.1
121.10126	16.3
123.11681	11.0
124.07561	3.0
129.07010	2.6
131.04932	1.6
131.08539	9.5
133.10120	19.8
134.06004	2.1
135.11691	14.5
137.13278	2.9
140.99445	1.0
141.06969	4.1
143.08516	1.1
145.10107	12.8
147.04410	2.8
147.11673	17.4
148.07555	3.8
149.13260	13.3
153.01765	2.6
153.06964	3.4
155.04956	5.7
155.08524	2.5
157.06474	3.5
159.04424	1.8
159.11661	15.9
161.01204	1.8
161.13245	18.0
163.03839	1.5
163.14821	7.4
164.07050	1.7
165.06973	6.7
168.05757	1.4
169.06389	5.3
171.11719	1.0
173.05969	13.6
173.13264	9.7
175.14810	12.1
177.16391	4.7
181.06497	2.6
183.04385	7.2
183.08018	3.2
185.05975	2.8
185.13156	1.4
187.03900	2.9
187.14819	11.4
189.16368	9.8
196.05219	1.5
197.05959	9.0
198.06322	1.9
201.05476	12.6
201.16368	13.6
202.05753	1.2
203.07028	7.0
207.04399	1.3
211.07515	4.5
215.07057	2.7
215.15764	1.6
215.17892	13.8
225.05496	8.8
226.12326	1.1
229.04968	16.2
229.19510	3.2
243.06367	5.0
250.07614	1.7
253.04959	4.9
253.54758	1.1
266.99084	1.2
271.06015	81.0
271.09515	9.9
271.14343	4.1
271.24179	100.0
272.06354	5.4
272.09958	1.6
272.24390	1.9
274.76215	1.1
289.15469	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	271.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03670	1.0
53.03939	4.0
55.01872	6.5
57.03432	4.3
61.02923	2.8
65.03938	3.8
67.05492	1.5
68.99786	13.0
69.03426	7.2
69.07063	1.3
69.50510	8.5
71.01324	1.1
73.02903	4.3
79.05498	6.8
81.03415	9.1
83.01353	1.2
83.04980	4.9
85.02902	21.9
91.03951	1.9
91.05481	9.1
93.03394	6.4
95.04950	4.8
97.02891	12.3
98.97579	1.8
99.04450	12.6
103.05426	1.0
105.03395	2.5
105.07011	3.5
106.33108	0.9
107.04977	4.8
109.02884	19.6
111.04443	11.5
115.05466	1.4
119.04931	2.6
121.02848	4.2
121.06512	1.2
123.04424	4.4
125.05962	1.2
127.03916	23.9
129.06992	1.5
133.02829	2.0
133.06503	1.3
135.04416	31.5
139.03894	14.6
141.06944	2.8
145.05026	1.9
145.06497	1.4
147.04416	3.9
149.02338	3.3
149.06018	1.6
151.03902	100.0
155.04947	2.2
155.85478	1.0
157.06502	3.2
159.04373	1.7
161.05968	3.6
163.03894	22.8
165.01717	1.1
165.05530	2.7
169.06488	2.6
173.05946	6.9
175.03925	2.5
177.01808	3.8
177.05496	3.2
179.03383	16.1
179.07159	1.6
181.04956	86.1
183.04411	4.6
185.05974	2.3
187.03867	2.5
187.07541	1.3
189.05463	17.2
193.04935	2.2
197.05959	6.3
201.05476	6.1
203.07039	4.8
205.04967	4.5
207.06528	3.2
211.04108	1.9
211.07574	1.7
215.07111	2.3
217.04967	21.7
223.06029	22.3
225.05515	3.4
229.04944	8.4
235.05997	34.1
235.48239	1.4
241.07076	2.3
243.06496	3.8
253.04774	2.8
253.07094	8.2
271.05981	43.6
271.08292	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0597
Annotation	Pelargonidin
Peak:m/z	Relative Intensity
63.83905	0.2
65.03935	0.4
67.01866	0.3
67.05518	0.3
68.99783	0.9
70.02876	1.0
74.95963	0.2
75.88143	0.2
79.05484	0.3
81.03384	0.2
81.07039	0.2
91.05453	0.5
95.08589	0.3
98.21374	0.3
105.03367	0.4
105.07085	0.2
107.04945	0.4
108.83688	0.2
109.02829	0.2
111.00777	0.2
111.04417	0.6
112.24821	0.2
115.05412	0.3
117.06998	0.4
117.11250	0.2
119.04931	0.9
119.08575	0.2
121.02862	8.1
125.29078	0.2
128.06300	0.2
131.04871	0.3
131.08566	0.3
137.02336	1.2
141.06927	1.2
144.05743	0.4
145.06464	1.5
147.04364	0.5
149.02336	0.9
150.03235	0.3
153.01797	1.6
157.06485	0.3
159.04378	0.3
159.07968	0.3
169.06488	1.7
171.02847	0.3
173.05939	0.7
187.07512	0.3
190.12994	0.2
197.05968	2.9
200.04509	0.2
215.06990	1.4
225.05420	0.6
226.06248	0.4
229.04852	0.3
242.05664	0.6
243.06482	1.4
253.04921	0.5
271.05988	100.0
271.24185	0.6
272.06256	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0599
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.32296	0.2
53.03938	0.3
55.01855	0.4
55.05260	0.2
55.05505	2.6
57.03432	2.0
60.21515	0.2
60.85531	0.1
67.01864	1.6
67.05167	0.3
67.05497	3.9
68.99783	2.5
69.06780	0.1
69.07060	2.0
71.04985	0.9
71.11497	0.5
79.05492	1.7
81.07049	6.3
83.04971	0.3
83.08604	1.2
85.06532	0.4
91.05473	3.1
93.07044	1.7
95.04971	0.3
95.08601	7.1
97.06507	0.9
97.10165	0.5
99.08062	0.2
105.07009	1.6
107.08549	0.6
109.06496	0.2
109.10163	1.0
111.00793	0.3
111.08072	0.2
115.05468	0.2
119.04932	5.5
119.08587	2.0
121.02862	1.8
121.10126	0.7
123.08041	0.5
129.01839	0.4
133.10120	0.7
135.11667	0.9
137.09613	0.3
137.13216	0.5
141.06903	0.4
145.02841	1.6
147.11620	0.3
153.01817	10.5
155.04909	0.6
155.08527	0.2
157.06470	0.5
159.11757	0.2
161.13249	1.9
161.18367	0.2
163.03877	0.9
165.06973	0.5
169.06490	0.5
171.02858	1.3
173.06007	1.2
179.14288	0.7
183.04425	0.4
183.08055	0.3
185.05951	0.4
187.03870	0.5
197.05963	1.0
201.05492	1.0
201.16347	0.2
201.95505	0.2
203.07039	0.6
211.03894	0.3
211.07469	0.3
225.05397	0.9
229.04910	1.9
243.06418	0.9
253.04956	0.7
264.88272	0.2
271.05988	100.0
271.19019	3.9
271.23859	0.8
272.06335	1.9
286.89536	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0598
Annotation	Apigenin
Peak:m/z	Relative Intensity
52.20906	0.1
55.01854	0.2
65.03924	0.2
65.72102	0.1
67.01859	1.9
67.05486	0.3
68.99783	1.5
69.73609	1.0
78.43425	0.1
81.07037	0.4
91.05475	1.9
93.07054	0.1
95.04971	0.2
95.08595	0.2
97.02842	0.2
102.86066	0.1
103.05403	0.2
105.07036	0.2
109.02929	0.1
109.10147	0.2
111.00819	0.2
115.05415	0.3
119.04931	5.7
121.02863	1.5
121.06473	0.1
121.10204	0.2
129.01886	0.3
131.04892	0.2
131.08571	0.3
133.10132	0.2
141.06952	0.5
142.63470	0.2
145.02829	1.4
145.06419	0.2
152.06213	0.2
153.01820	10.1
153.06993	0.8
155.04922	0.2
155.08502	0.2
157.06508	0.2
163.03856	1.0
165.07019	1.2
168.05681	0.3
169.06451	0.3
171.02872	1.7
171.04231	0.2
173.06029	0.3
177.05473	0.2
181.06407	0.3
182.07224	0.2
183.08049	0.6
185.05927	0.2
187.03880	0.3
193.06436	0.2
196.05138	0.3
197.05965	0.7
197.09531	0.2
200.08257	0.1
201.05498	0.3
203.07004	0.4
211.07520	1.0
215.07019	0.2
221.05922	0.3
225.05452	0.7
225.09026	0.7
229.04967	0.8
233.07657	0.1
239.06990	0.2
243.06563	1.1
243.10132	0.3
247.06049	0.3
253.04936	0.2
253.08870	0.2
271.05988	100.0
271.24124	0.4
272.06311	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	271.0598
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
55.01859	1.5
65.03949	3.2
65.04257	0.7
67.01847	1.1
68.99787	8.2
69.85635	1.2
69.86050	2.5
72.27251	0.6
77.33187	0.6
89.68020	0.7
91.05479	9.7
105.03379	0.7
107.04941	5.4
111.00793	1.2
115.05424	1.9
117.07018	0.8
119.04960	4.6
121.02862	15.3
121.41597	0.7
126.15539	0.6
128.06207	1.5
129.07010	1.1
131.04929	2.5
131.08554	2.0
141.06976	8.4
145.02846	2.2
145.06474	1.8
147.04376	3.0
147.08002	2.3
149.02333	86.9
152.06204	1.8
153.01820	20.6
153.06996	2.0
155.04942	1.1
157.06465	2.8
159.04439	3.4
159.08047	1.7
167.03369	1.3
168.05679	0.9
169.06474	11.6
173.05972	2.5
175.07532	0.8
181.06488	3.1
183.04355	1.4
185.05994	1.8
187.03937	3.1
187.07570	3.8
197.05956	13.4
199.07527	1.0
200.04729	1.2
201.05467	2.2
213.05379	1.3
215.07011	100.0
216.07361	0.9
225.05447	2.7
226.06255	0.7
227.07024	1.3
229.04994	3.1
243.06514	76.8
253.04918	4.2
264.28250	0.6
271.06000	77.0
272.06387	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.06
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
50.75254	0.4
51.34541	0.5
53.41655	0.5
54.87383	0.6
55.01848	1.7
56.95414	0.5
65.03920	2.3
67.01842	0.7
67.73460	0.5
68.99444	0.8
68.99789	12.8
69.93926	3.1
89.65288	0.5
91.05476	7.9
95.01334	0.8
95.04995	0.7
97.06509	0.5
98.20834	0.8
98.97559	0.5
105.03418	0.5
105.07034	0.8
107.04961	4.0
109.02900	0.6
111.00790	1.7
111.04414	1.0
115.05436	1.4
117.06990	1.1
119.04948	3.8
121.02875	11.1
121.10179	0.6
121.28492	0.6
128.06235	1.0
129.06967	1.6
131.04895	2.5
131.08511	1.2
133.02861	0.9
135.04407	1.7
137.02342	1.9
137.05969	0.6
141.06985	7.3
145.02826	2.0
145.06465	2.2
147.04398	2.5
147.08022	1.5
149.02341	64.9
151.03886	1.4
152.06221	1.3
153.01823	14.9
153.07019	1.5
155.03572	0.5
155.04939	3.4
155.08606	0.9
157.06511	3.7
159.04437	2.6
159.08057	1.6
161.02315	1.1
165.01851	0.6
165.06982	1.9
167.03413	0.7
168.05661	1.2
169.06480	10.1
173.05972	7.7
175.07555	0.9
181.04985	0.8
181.06456	2.3
183.04431	4.4
183.08031	0.7
184.04936	0.6
185.05995	2.9
187.03865	2.8
187.07542	2.3
196.05237	0.7
197.05972	12.5
199.07675	1.1
200.04643	1.2
201.05478	6.4
203.07028	4.0
210.06737	0.9
211.03714	0.8
211.07587	1.0
215.07027	72.1
216.07350	1.1
225.05467	4.8
225.09094	2.2
229.04956	8.6
229.24629	0.6
243.06528	54.4
244.06836	1.3
253.04959	5.7
253.08551	1.9
271.06018	100.0
271.09244	5.0
272.06308	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	270.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.2
56.96562	10.5
57.03428	7.1
60.09894	3.1
61.02928	6.3
69.03425	6.9
70.17477	3.0
71.04988	3.5
71.58927	5.4
73.02921	6.8
77.00907	5.6
81.03419	5.7
85.02904	14.9
97.02888	5.8
100.02471	6.6
101.00904	14.7
103.02477	3.4
107.04955	5.8
115.02436	24.8
116.98611	4.9
117.04001	5.2
118.03535	9.4
119.01920	100.0
120.02051	4.4
129.03966	6.9
131.01891	9.5
133.03462	43.6
137.02942	26.4
142.03473	3.7
143.01891	6.7
144.99849	8.4
145.03471	9.5
147.01321	5.0
147.05016	11.0
159.01384	6.0
161.02972	12.6
168.99860	9.2
169.93312	3.8
171.01419	5.5
173.03012	10.0
174.03154	3.4
177.02495	5.2
182.02994	6.4
185.02983	6.5
187.00902	20.2
189.02435	15.9
191.00362	3.9
191.04050	6.2
192.05476	4.6
196.99329	5.2
197.02925	4.5
199.00955	5.9
201.02521	6.5
203.04196	4.2
205.01909	6.6
207.03409	7.2
208.03253	4.3
215.00323	36.5
217.01961	11.9
219.03444	6.5
233.01471	6.1
247.03070	9.9
251.02533	9.3
256.02994	6.1
265.04117	4.6
267.49683	3.2
270.06226	3.6
271.06061	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	270.1122
Annotation	Apohaemanthamine
Peak:m/z	Relative Intensity
55.05490	0.4
57.03410	0.6
57.07064	0.4
65.91246	0.2
67.05482	1.0
68.05827	0.8
69.07053	0.6
71.59237	0.5
76.14700	0.2
79.05479	0.5
80.05804	0.5
81.07040	1.0
82.07380	0.9
83.04981	0.3
83.08614	0.3
85.75062	0.2
88.07624	2.0
91.05473	0.7
93.07021	0.9
94.07362	0.5
95.08598	0.6
106.07373	0.2
107.08588	0.4
108.08922	0.5
109.06505	0.2
116.15434	0.2
121.10135	0.3
122.10474	0.3
134.10526	0.4
142.38219	0.2
145.72031	0.3
149.13240	0.4
150.13574	1.0
151.00896	0.3
160.11978	0.4
173.05878	0.3
180.01822	0.3
186.05481	3.1
199.06273	31.1
200.06715	0.8
228.10172	100.0
229.10446	2.4
242.24878	0.3
270.11224	41.4
270.24332	0.6
270.27859	1.1
271.06036	2.1
271.11517	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.6
55.01864	5.1
55.05505	20.8
56.96553	4.1
57.03435	23.7
57.07065	7.8
59.10723	1.9
65.03927	3.6
67.05501	82.3
69.07060	29.4
70.27256	10.0
71.04980	6.6
71.08611	3.5
73.02943	2.5
79.05484	43.2
81.03423	12.0
81.07054	100.0
82.03767	5.5
83.04980	9.2
83.08608	21.1
84.08968	2.4
85.06539	6.6
91.05476	34.5
93.06460	4.4
93.07040	65.7
95.04955	12.9
95.08044	4.2
95.08604	51.5
97.02917	2.5
97.06538	20.2
97.10152	7.6
99.08087	3.2
105.07031	15.7
107.04964	11.5
107.08592	32.2
109.06515	5.1
109.10152	20.0
111.08077	12.2
116.98587	4.7
117.07024	12.1
119.08598	10.9
121.10140	29.5
123.08018	3.8
123.11713	6.2
128.53049	2.4
131.08572	11.0
133.10114	23.6
134.99661	2.9
135.08034	5.0
135.11673	16.7
137.09657	2.5
139.11154	2.8
143.08563	3.6
145.10143	4.8
146.99617	2.2
147.11674	5.3
149.13274	30.6
151.11197	4.4
153.09003	3.2
157.10107	5.3
159.08150	3.3
159.11710	19.6
173.06094	2.6
173.13260	3.3
177.12770	6.9
195.13858	8.0
213.16420	3.3
215.17984	9.8
233.19043	8.0
251.20059	17.7
253.82698	2.2
268.37692	2.9
269.08148	14.4
269.12158	6.6
269.17450	34.8
269.22678	4.3
287.10147	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	269.2111
Annotation	(+)-Juvabiol
Peak:m/z	Relative Intensity
53.03946	1.8
55.01860	1.6
55.05508	22.7
56.96571	0.3
57.03434	3.6
57.07072	2.6
65.03932	2.6
67.05500	98.9
68.05833	0.8
69.03429	0.8
69.07063	23.9
71.04990	9.1
71.08617	0.7
71.60159	0.4
79.05487	43.0
80.05836	0.3
81.07050	95.2
82.07374	0.8
83.04984	4.3
83.08613	19.3
84.44063	0.3
85.02897	0.4
85.06536	5.0
91.05473	31.2
93.07037	51.9
93.43266	0.4
94.07384	0.4
95.04961	3.2
95.08599	100.0
96.08930	0.6
97.06524	27.4
97.09528	0.4
97.10157	8.3
98.97593	0.5
99.08062	2.2
101.05991	0.5
105.04518	0.7
105.06290	0.4
105.07024	17.5
107.08586	33.9
109.06533	2.9
109.10146	39.9
110.10502	0.4
111.08078	14.3
111.11716	1.2
113.05988	0.6
113.09637	1.0
116.98609	0.5
117.07014	4.1
119.08578	18.2
121.06521	2.5
121.10134	40.4
122.10447	0.4
123.08073	4.1
123.11700	13.6
125.09595	2.5
131.08553	9.4
133.10120	37.6
134.10461	0.4
135.08054	3.6
135.11685	25.6
136.11978	0.4
137.09608	9.0
137.13242	4.6
137.15810	0.3
139.07530	1.5
139.11169	1.8
141.09087	0.6
145.10112	8.9
145.59807	0.3
147.11681	8.5
149.09627	2.6
149.13246	14.3
151.11166	10.1
151.14755	0.6
153.09134	2.4
153.12737	0.8
155.10635	1.4
155.82652	0.4
157.10162	0.7
159.11673	9.1
161.13292	1.9
163.11153	2.1
163.14862	0.6
165.12762	1.3
167.03386	0.7
167.10704	1.4
167.14391	0.6
169.12227	1.1
171.11713	0.4
173.11787	0.3
173.13249	6.9
175.14827	0.4
177.12773	2.4
181.12210	1.4
185.13274	0.5
187.14838	3.4
189.16389	1.5
191.14391	0.6
191.17900	3.2
192.35425	0.3
195.13818	2.6
203.17880	0.7
205.19577	1.6
209.15308	0.7
213.16344	0.9
215.17943	29.8
216.18225	0.5
221.18959	0.6
223.02737	0.4
223.20602	0.8
233.18994	14.7
238.79533	0.3
243.09129	0.4
251.20044	50.2
252.20308	0.9
269.08072	8.1
269.17523	1.7
269.21088	6.0
270.08380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.40563	1.1
53.03934	2.4
55.01855	3.7
55.05505	21.2
57.03433	37.3
57.07067	5.5
63.37303	1.0
65.03921	2.6
67.05499	76.6
69.03400	1.3
69.07063	30.5
71.04987	6.2
73.02889	1.4
77.44699	1.1
79.05485	41.9
81.03368	3.1
81.07050	100.0
82.07386	1.3
83.04973	11.9
83.08150	1.2
83.08611	17.4
85.06536	5.1
86.56870	1.1
91.05465	25.6
93.07035	72.4
95.04958	9.9
95.08598	26.3
96.74291	1.2
97.06524	17.5
97.10152	2.5
98.20629	1.4
99.04437	2.0
99.08070	4.5
99.84650	1.2
105.04491	1.4
105.07011	9.0
107.04928	2.1
107.08586	37.2
109.06488	3.4
109.10143	4.5
111.08084	11.0
111.11680	1.8
113.09622	1.6
116.06195	1.1
116.98602	1.4
117.07016	8.6
117.07687	1.6
119.08548	4.5
121.06508	2.6
121.10132	23.4
121.85621	1.2
122.10369	1.2
123.11671	3.1
125.09599	1.4
131.08589	9.7
133.10124	11.1
134.99641	2.1
135.08060	3.2
135.11674	11.6
139.11160	3.1
145.10042	1.3
147.11604	2.6
149.09575	1.1
149.13243	46.1
159.11690	17.0
177.12724	8.2
195.13799	12.7
251.20045	1.9
256.76169	1.3
269.11179	1.6
269.17422	41.9
269.22205	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03939	3.8
55.01873	3.9
55.05261	1.6
55.05510	20.1
56.96562	2.2
57.03152	2.1
57.03433	36.1
57.07066	4.3
67.05503	75.1
69.07068	32.4
70.18645	3.3
70.19061	4.8
71.04992	7.2
79.05491	46.2
81.03431	2.0
81.07055	100.0
83.04972	10.4
83.08617	18.8
85.06535	5.5
91.05482	21.4
93.07041	72.8
95.04951	9.4
95.08603	27.5
97.06525	15.7
97.10153	3.0
99.08095	4.6
105.07024	10.7
107.08589	42.3
109.06530	2.9
109.10155	4.9
111.08061	9.9
113.09657	1.9
117.07004	9.5
119.08577	2.5
121.10134	22.2
123.08102	1.8
123.11721	2.3
131.08560	9.4
133.10123	7.7
135.08061	2.6
135.11716	9.7
139.11174	2.2
149.13254	49.2
159.11690	18.5
169.13751	1.5
177.12756	8.9
195.13794	13.4
228.69688	1.4
269.07928	1.7
269.17508	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03942	5.0
55.01870	4.1
55.05513	19.5
57.03434	30.9
57.07068	3.8
65.03934	3.0
67.05501	74.0
67.30698	1.4
69.06737	1.1
69.07063	32.3
69.23270	1.5
70.19793	5.9
71.05010	7.1
79.05490	46.3
81.03423	3.0
81.07053	100.0
82.07378	1.4
83.04973	9.0
83.08616	21.6
83.37270	1.4
85.06541	4.9
91.05474	26.2
93.07043	65.6
95.04962	7.1
95.08615	21.0
97.06525	16.4
97.10162	2.7
99.08076	3.5
105.07061	9.5
107.08592	33.8
109.06513	4.1
109.10175	4.3
111.08091	8.1
116.98657	2.9
117.07012	8.7
119.08561	4.1
121.06474	1.6
121.10145	18.9
123.11686	3.1
131.08559	12.5
133.10147	11.2
135.08105	1.9
135.11691	13.1
139.11214	2.0
147.11682	2.0
149.09705	1.7
149.13258	39.9
151.11131	1.9
157.10051	1.6
159.11673	21.1
171.11766	1.7
177.12735	11.4
185.13277	3.3
195.09618	1.6
195.13838	11.5
217.63863	1.8
269.17389	42.5
274.89874	1.5
281.95682	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	3.1
54.91407	0.6
55.01876	3.4
55.05508	18.8
56.96568	0.7
57.03436	34.5
57.07074	3.6
59.04980	0.7
65.03933	2.5
67.05502	76.4
69.03413	1.0
69.07066	30.7
69.77408	4.5
70.64155	0.6
71.01342	1.1
71.04990	6.8
71.08644	0.9
73.02911	1.0
77.03899	0.8
79.05490	42.8
81.03416	2.3
81.07053	100.0
82.07382	1.5
83.04974	10.6
83.08614	18.7
85.02911	1.0
85.06533	5.5
91.05480	22.4
93.07038	70.7
94.07367	1.1
95.04970	7.4
95.08601	26.3
97.06529	16.7
97.10156	1.9
99.08066	5.7
105.07025	9.8
107.08591	33.9
109.00452	0.7
109.06492	3.6
109.10142	4.3
111.08076	9.7
111.11715	1.6
113.09618	1.7
117.07012	8.8
119.08585	2.2
121.06487	1.2
121.10140	24.2
123.08056	1.1
123.11706	2.1
125.09612	1.2
131.08574	10.0
133.10127	8.6
135.08055	1.7
135.11676	9.2
139.07596	0.8
139.11174	3.0
144.09348	0.8
147.11711	1.4
149.13254	51.0
151.11171	1.1
153.09059	1.0
157.10155	0.9
159.11678	20.7
167.14323	1.3
169.17477	0.8
177.12744	10.9
195.13808	12.3
213.14830	1.7
251.20169	0.9
252.25488	0.7
258.20041	0.7
269.07977	1.2
269.17468	38.1
269.22256	1.6
279.06625	0.7
281.45465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01863	4.0
55.05508	23.0
57.03435	31.9
57.07061	4.8
65.03935	2.7
67.05501	78.5
69.03426	2.3
69.07063	32.1
71.04987	8.2
71.12379	2.6
73.02923	1.4
79.05489	51.4
81.03399	2.3
81.07052	100.0
83.04968	11.1
83.08613	19.8
85.06520	5.7
91.04900	1.2
91.05472	24.4
93.07037	68.3
95.04983	7.0
95.08599	29.0
97.02875	1.4
97.06525	16.5
98.97585	1.4
99.08085	4.4
105.07030	10.3
107.04945	2.7
107.08593	41.0
109.06504	6.1
109.10153	6.6
111.08061	9.3
111.11725	1.9
116.98650	1.6
117.07011	9.3
119.08565	4.5
121.06482	2.3
121.10141	22.6
123.11700	3.0
131.08574	11.8
133.10127	12.5
135.07991	1.5
135.11671	11.1
139.07484	2.2
139.11153	2.3
147.11691	3.3
149.09535	1.5
149.13251	47.0
151.11169	2.1
157.10077	1.4
159.11682	21.2
177.12784	9.6
195.13791	9.8
200.03590	1.3
213.14784	1.7
215.17900	1.7
238.09674	4.9
241.08574	1.7
251.20079	2.4
269.04526	1.8
269.07996	8.0
269.17480	45.8
269.22318	2.9
270.17700	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	6.0
55.01864	4.3
55.05506	19.6
57.03432	36.6
57.07065	6.3
61.66995	1.7
65.03934	2.5
67.05499	83.3
69.07058	31.5
70.83353	1.8
71.04976	7.0
71.59737	2.9
71.60104	2.2
79.05052	3.3
79.05487	48.3
81.07050	100.0
83.04523	1.6
83.04970	10.9
83.08617	13.3
85.06542	5.9
91.05475	20.8
93.07033	70.1
95.04966	5.6
95.08595	27.7
97.06521	15.7
97.10141	2.1
99.08057	2.9
105.07009	6.9
107.08579	37.7
109.06538	3.8
109.10121	5.8
111.08075	9.2
113.05952	2.5
113.09657	2.4
117.07004	10.3
119.08594	5.0
121.10133	24.8
123.07979	1.7
123.11655	4.5
131.08559	12.2
133.10106	12.2
135.08076	3.2
135.11699	9.0
139.11188	2.3
147.11598	2.3
149.09631	2.9
149.13245	54.2
159.11690	20.4
166.54099	1.9
171.11705	1.8
177.12675	8.4
186.10652	2.1
195.13779	14.2
218.50276	1.8
224.98921	1.8
245.17400	1.8
249.03839	1.6
251.02420	1.6
269.17462	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03943	2.9
55.01869	3.2
55.05508	20.3
57.03434	39.5
57.07061	3.4
57.92425	2.3
58.94787	2.5
60.32718	2.4
67.05499	80.5
69.07063	29.6
71.04978	6.8
71.38100	2.4
78.15114	2.0
79.05484	50.3
81.03391	4.4
81.07053	100.0
83.04971	8.6
83.08611	20.7
85.06563	5.8
91.05475	21.6
93.07035	73.3
95.04950	10.5
95.08598	27.6
97.06529	17.4
97.10165	5.1
99.08057	3.1
100.71898	2.1
104.99262	5.1
105.07031	6.4
107.08589	42.3
108.70718	2.5
109.06478	5.2
109.10135	5.0
111.08055	9.7
117.06998	8.9
119.08606	2.8
121.10148	30.5
123.11722	2.6
131.08586	12.0
133.10117	6.1
135.11664	8.9
149.13243	54.9
159.11667	18.7
164.47009	2.8
177.12770	13.7
195.13811	13.4
206.93529	2.5
227.39571	2.4
228.17876	2.4
255.72800	2.4
269.17447	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1744
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03926	3.4
53.05225	1.0
55.01852	2.7
55.05261	1.6
55.05508	20.8
57.03436	35.9
57.07076	5.1
57.30194	1.3
65.03925	2.7
66.49690	0.9
67.05499	80.4
69.07064	32.8
70.11321	4.5
71.04998	8.3
73.02889	1.0
79.05487	45.1
81.03391	1.6
81.07051	100.0
82.07378	1.6
83.04981	10.6
83.08614	18.0
85.06547	5.9
91.05476	23.0
91.10233	0.9
93.07036	70.0
94.07364	1.3
95.04968	7.1
95.08600	26.9
97.06524	16.6
97.10119	2.1
99.08070	4.2
105.07019	8.2
107.04910	1.5
107.07856	2.0
107.08585	38.3
109.06506	3.2
109.10136	7.1
111.08067	8.6
111.11720	1.4
113.09617	1.1
117.07003	9.7
119.08553	4.8
121.06459	2.5
121.10125	21.9
123.08118	1.7
123.11699	3.2
125.09554	1.7
131.08554	11.3
133.10132	7.0
135.08017	2.8
135.11694	11.5
139.07561	1.4
139.11172	2.7
145.10100	1.8
147.11665	2.3
149.13248	47.0
151.11180	2.7
153.09082	1.6
159.11676	16.5
159.51962	1.0
177.12772	9.7
191.17891	1.3
195.13802	9.5
215.17996	2.2
233.18869	1.1
251.19963	2.0
269.08002	1.6
269.17438	35.1
294.06305	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
55.05507	21.4
57.03436	38.9
67.05499	79.7
69.07065	28.7
69.69715	17.4
71.04987	5.0
79.05488	43.7
81.03422	3.7
81.07056	100.0
83.04971	9.8
83.08614	23.7
85.06542	3.9
85.84468	2.6
86.00502	2.8
91.05476	22.7
93.07042	74.5
94.35989	2.7
95.04958	8.9
95.08601	28.4
97.06538	17.7
99.08089	3.3
105.07053	7.0
107.08591	44.4
109.06500	4.7
109.10160	5.3
111.08060	8.8
117.07024	10.2
119.08520	3.6
121.10136	25.6
123.11695	2.8
128.61496	3.3
131.08563	9.6
133.10124	8.7
135.11710	10.9
139.11098	3.5
149.13269	57.3
159.11699	20.6
177.12747	12.2
195.13780	13.8
238.69160	2.7
266.88855	2.7
269.17484	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	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03934	3.6
55.01860	5.6
55.05510	22.3
57.03436	35.0
57.07069	5.5
65.03934	2.9
67.05502	76.6
69.06721	2.0
69.07068	34.0
69.91998	2.2
69.92412	5.6
71.04986	10.1
71.08597	1.5
77.33221	1.4
79.05488	45.1
81.03434	2.5
81.07054	100.0
82.07373	1.6
83.04991	11.4
83.08614	18.3
85.06529	4.4
86.92490	1.7
91.04958	2.3
91.05477	24.3
93.07036	75.8
94.65960	1.5
95.04964	10.6
95.08601	28.1
97.06533	12.6
97.10159	2.0
98.20882	2.4
99.08093	6.1
104.99235	1.5
105.07023	6.3
107.08588	38.7
107.48270	1.5
109.06493	2.9
109.10146	4.6
111.08070	10.1
113.05995	1.7
113.09563	1.7
117.07004	9.1
118.40775	1.4
119.08591	2.8
121.06498	1.4
121.10144	29.5
123.11717	2.5
131.08589	9.9
133.10126	8.1
135.11696	13.7
136.06152	1.4
139.00229	2.0
139.11113	1.8
147.11697	2.2
149.13252	52.3
151.11102	1.5
151.51770	1.6
157.01364	1.8
159.11688	16.2
167.14369	1.6
177.12758	8.3
195.12219	1.8
195.13838	10.9
269.17426	29.9
270.17813	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03935	4.6
55.01868	2.4
55.05510	19.8
57.03437	32.3
57.07063	4.0
65.03934	3.2
67.05505	73.3
69.03436	1.9
69.07066	30.0
69.93995	5.6
69.94396	3.5
71.04982	6.1
79.05489	46.9
79.44566	1.5
81.03407	1.8
81.07054	100.0
83.04979	10.3
83.08604	17.4
85.06538	4.7
91.05479	20.3
93.07040	60.6
95.04955	6.1
95.08606	27.9
97.06524	11.1
97.10157	1.8
98.20802	2.3
99.08070	2.9
105.07024	9.0
107.08591	35.2
109.06487	2.1
109.10128	3.7
111.08096	8.4
111.11700	1.7
113.09664	2.2
117.06992	8.2
119.08566	3.0
121.06503	2.5
121.10142	19.8
123.11674	4.3
131.08563	9.0
133.10146	9.3
133.24387	1.4
135.11682	11.1
139.11151	3.7
149.13257	41.5
151.11185	3.5
159.11696	16.7
177.12726	8.8
195.13809	16.1
269.17456	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03938	3.0
55.01863	3.7
55.05262	1.5
55.05508	22.2
55.33270	1.0
57.03435	34.7
57.07076	5.7
65.03915	2.6
67.05502	77.7
68.05814	1.0
69.07066	35.3
71.04993	6.8
71.08624	1.9
71.60601	1.1
79.05492	47.0
81.03410	2.1
81.07053	100.0
82.07368	0.9
83.04977	10.2
83.08616	17.7
85.06538	7.3
91.05481	25.3
93.07040	74.6
95.04969	8.5
95.08600	25.7
97.06531	16.7
97.10151	3.5
99.04429	1.3
99.08074	3.1
105.04514	1.7
105.07027	11.7
107.08585	39.9
109.06486	2.4
109.10140	4.0
111.08065	10.2
113.09624	1.0
117.07021	9.1
119.08548	3.5
121.06544	1.3
121.10149	23.2
123.11700	3.3
125.09577	1.2
131.08551	9.3
133.10115	9.3
135.08006	1.4
135.11681	9.6
139.11183	2.6
147.11679	2.0
149.13251	50.4
151.11205	1.5
157.10060	1.7
159.11697	19.7
167.14317	1.8
177.12743	9.1
195.13805	15.1
269.17435	45.3
269.26672	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	268.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
55.05502	1.3
56.05027	0.7
56.96567	0.4
58.06585	0.4
69.07050	1.1
71.59200	0.6
72.04510	2.3
73.02901	1.1
75.04084	0.4
78.48787	0.4
79.05477	1.7
81.07052	1.9
82.06577	0.5
83.08614	0.4
91.05432	0.6
93.07050	2.7
94.06554	1.5
95.08604	1.2
96.08154	0.6
100.03937	0.6
102.05547	0.7
105.07056	0.8
107.08573	1.7
108.07415	0.7
108.08115	11.0
109.08918	0.5
110.09673	0.8
119.08553	0.6
122.09663	8.6
123.10434	1.4
124.03941	0.4
124.07537	0.4
124.11213	1.0
133.10133	0.8
135.11713	2.3
136.06184	1.7
136.11214	3.3
142.08659	0.5
150.12776	16.5
151.13573	8.0
152.07054	2.3
153.12790	0.5
156.10214	0.6
170.08081	1.6
170.11722	0.9
178.15863	3.5
180.10223	1.6
182.11752	0.5
194.11754	3.4
195.12549	1.4
215.91510	0.5
222.14873	1.3
224.16443	100.0
225.16817	2.1
226.18018	3.8
236.26080	0.4
250.17978	0.5
261.67773	0.4
268.19061	47.4
269.19388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.4
53.03935	4.1
55.01867	1.7
55.05500	2.4
56.96556	3.8
57.07068	1.3
61.02911	1.0
61.89893	0.8
65.03938	4.4
67.01859	1.5
67.05496	6.1
68.04948	0.9
68.99783	11.6
69.07056	2.9
70.98846	1.5
70.99162	1.2
71.04987	0.9
77.03921	3.0
79.05489	10.0
81.03037	0.9
81.03423	8.6
81.07038	2.9
83.04973	2.2
83.08609	1.6
88.44082	0.8
91.05418	1.1
91.05865	1.1
93.03406	3.5
93.07019	2.0
95.01318	1.1
95.04962	21.6
95.08572	2.6
97.02910	1.0
97.89358	1.0
104.04855	0.8
105.03381	17.6
105.04472	1.4
105.06939	1.1
107.04947	36.7
107.08552	1.0
109.02883	12.0
109.10153	1.2
110.07154	3.1
111.04463	2.1
116.98656	1.4
119.01254	2.1
121.02868	3.9
121.06554	1.0
122.03651	2.3
123.04421	18.6
125.63236	0.9
126.05595	0.9
127.03925	1.5
133.02841	20.2
134.03610	3.8
134.05992	1.1
135.04372	5.8
136.06149	3.1
137.02339	4.2
137.06500	3.4
139.03896	1.5
145.02831	1.3
149.02328	6.1
150.05501	1.8
151.03889	28.4
152.07059	2.2
153.01811	4.3
154.02156	1.1
156.07600	1.0
156.97482	1.6
161.02345	26.3
162.03130	8.6
162.05440	4.1
163.03920	4.9
165.01819	2.6
168.06564	1.0
174.98535	2.5
177.01822	11.7
179.03380	100.0
182.99162	0.9
189.01804	7.7
193.01361	3.5
194.02107	1.2
195.02951	3.0
201.00198	1.5
207.02869	69.8
207.12061	0.9
219.01654	1.1
223.02359	20.2
223.07390	1.6
225.03838	1.2
226.98015	2.9
242.03337	1.2
269.02917	3.4
269.07761	2.1
269.10962	1.1
269.24786	1.6
287.00082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87023	0.3
55.01860	1.1
55.05516	0.8
56.05028	0.6
56.96541	0.4
57.07076	0.4
63.12685	0.3
69.07054	1.2
70.06586	0.5
70.85006	0.8
71.05001	0.5
72.04500	2.3
73.02917	1.5
74.06095	0.6
79.05490	1.3
81.04752	0.3
81.07068	1.6
83.04976	0.7
83.08599	0.4
84.18284	0.3
91.05495	0.7
91.83214	0.3
93.07050	3.0
94.06565	1.2
95.05001	0.6
95.08602	1.4
96.08119	1.0
100.03963	0.6
102.05543	0.6
105.03416	0.3
105.07042	0.7
107.08596	2.1
108.08117	10.4
109.06503	0.4
109.08874	1.1
109.75761	0.4
110.09670	1.3
119.08581	0.9
121.08840	0.5
121.10118	0.5
122.09663	7.8
123.04463	0.6
123.10456	1.7
124.03976	0.6
124.11233	1.5
132.61066	0.4
135.11717	2.3
136.06160	0.8
136.11212	3.6
142.08563	0.5
150.12776	17.4
151.03912	1.0
151.13551	8.0
152.07103	0.8
152.14178	0.4
156.10188	0.7
166.08620	0.6
168.10220	0.5
170.11772	1.2
178.15907	4.0
179.03418	1.2
180.10193	1.5
181.06516	0.5
181.10887	0.4
182.11797	0.7
194.11768	3.1
195.07954	0.5
195.12566	0.9
196.16919	0.4
196.88527	0.4
207.02820	0.5
208.00255	0.3
208.13089	0.3
213.09103	0.6
222.14935	1.8
223.02519	0.8
223.07761	0.4
224.16446	100.0
225.16858	1.6
226.17993	4.6
241.08383	0.6
250.14450	0.5
268.19061	51.3
269.05215	0.4
269.07959	1.9
269.19354	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
57.03419	0.2
69.03417	0.2
70.89731	0.5
73.02895	0.3
85.02891	0.3
88.72701	0.2
107.04936	0.4
119.03586	0.4
133.04955	0.2
136.06180	100.0
137.04582	0.5
137.06548	0.5
202.83850	0.2
260.63388	0.2
268.10403	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01861	0.5
56.96565	0.7
57.03431	0.8
61.02923	0.4
69.03423	0.3
69.24762	1.1
69.25196	1.2
70.06589	0.3
73.02913	0.6
85.02901	0.7
94.04085	0.5
97.02860	0.2
98.20755	0.4
98.97604	0.3
107.04935	0.6
109.07654	0.3
115.03899	0.4
119.03541	0.9
123.04413	1.0
136.06180	100.0
137.04576	0.7
147.04408	0.2
150.03607	0.3
178.07240	0.7
183.02289	0.4
268.10400	7.1
268.16550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.52366	0.9
53.03938	3.8
55.01863	1.7
55.05507	5.9
57.03440	18.9
65.03941	0.9
66.76316	0.8
67.05504	12.1
69.03421	2.0
69.07054	3.3
69.36275	9.0
71.04990	1.0
74.16700	0.8
79.05495	10.3
80.52038	0.9
80.66222	0.8
81.03415	100.0
81.07048	13.2
82.03719	1.0
83.04993	4.4
83.08614	12.5
91.04958	1.5
91.05479	17.3
93.07046	8.9
95.04968	21.3
95.08606	4.4
97.02870	1.2
97.06511	1.2
97.10157	1.1
98.21442	2.0
102.73061	0.9
105.07026	11.9
107.04967	4.4
107.08572	3.3
108.48957	1.0
109.06509	3.2
109.10209	1.2
111.04433	1.6
111.08073	5.4
115.05427	1.5
117.07002	2.1
119.04907	1.1
119.08575	10.6
121.06465	1.9
121.10143	4.0
123.08031	1.8
129.06984	6.3
131.08575	6.8
133.06482	1.7
133.10107	4.1
137.09584	1.2
137.65414	0.9
142.07802	2.6
145.10147	1.1
147.08061	3.0
147.11636	6.8
149.09619	3.8
157.10110	9.6
164.69389	0.8
165.12779	2.0
175.11223	8.7
184.01941	0.8
186.52089	0.9
193.12238	20.1
211.13251	2.9
249.14740	1.1
267.15906	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03935	3.7
53.34191	0.6
55.01871	2.5
55.05507	6.3
57.02691	0.8
57.03433	21.4
61.42254	0.7
65.09618	0.7
67.05500	10.6
69.03426	2.3
69.07064	2.0
69.35842	6.2
69.36250	1.2
71.04997	1.1
79.05482	12.8
81.03413	100.0
81.07048	10.9
83.04972	5.0
83.08617	12.3
91.05476	16.2
91.06007	1.5
93.07043	8.0
95.04961	20.0
95.08600	3.6
97.02897	2.0
97.06621	0.6
97.10165	1.1
98.20775	1.3
105.07021	12.1
107.04955	5.1
107.08585	2.3
107.72143	0.8
109.06509	3.6
109.10139	1.2
111.04403	1.7
111.08055	6.0
116.06197	0.6
117.07006	1.5
119.08562	11.7
121.06499	1.9
121.10143	3.8
129.07004	7.0
131.08554	6.1
131.82416	0.7
133.06467	1.9
133.10143	3.4
137.09633	1.5
142.07767	2.1
145.10129	0.9
147.08038	2.6
147.11662	6.0
149.09602	3.8
157.10115	7.4
165.12759	1.8
175.11165	7.2
193.12222	13.2
211.13275	1.8
249.14960	1.0
267.15891	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	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03937	3.8
55.01868	1.7
55.05508	8.6
56.96557	2.1
57.03434	21.2
67.05499	12.1
69.03427	3.1
69.07056	2.9
70.13926	1.9
70.14310	1.8
71.04982	1.4
79.05486	12.7
81.03411	100.0
81.07050	12.6
83.04980	7.9
83.08615	14.4
85.06544	0.9
91.05474	17.9
93.07019	7.2
95.04964	22.2
95.08591	5.7
97.02886	2.5
97.06503	1.2
97.10146	1.6
105.07025	12.5
105.73765	0.9
107.04952	4.7
107.08591	3.3
109.06510	3.3
109.10130	1.2
111.08067	6.7
113.05988	0.7
115.05439	0.9
117.06994	1.4
119.04961	1.1
119.08575	13.4
121.06500	1.9
121.10118	4.5
123.08078	1.0
128.06190	0.7
129.06989	7.8
131.08559	6.6
133.06467	2.3
133.10115	4.2
137.09607	2.2
142.07784	2.5
145.10144	1.8
147.08034	3.0
147.11673	6.7
149.09599	3.2
157.10109	9.7
165.12750	1.6
167.01936	0.7
171.11696	0.7
175.11192	10.2
185.04825	0.7
193.12233	18.5
211.13297	2.5
249.14851	1.0
267.09329	3.5
267.15884	39.4
268.16196	0.8
285.10144	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	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.41174	0.6
53.03945	4.2
55.01870	2.0
55.05511	8.0
56.96558	1.1
57.03434	18.6
65.03940	1.0
66.92205	0.7
67.05499	14.4
69.03420	2.6
69.07073	3.8
70.06941	2.8
71.04987	1.3
76.33907	0.7
79.05488	13.2
81.03413	100.0
81.07050	19.0
83.04968	5.0
83.08611	13.6
85.02912	0.8
91.05476	18.7
93.07037	7.6
95.04961	18.2
95.08606	6.0
97.02888	1.4
97.06527	1.1
97.10142	1.7
99.08044	1.0
105.07023	13.3
107.04955	4.5
107.08585	3.8
107.18986	0.7
109.06544	3.3
109.10162	2.3
111.04429	1.5
111.08070	6.4
115.05504	0.9
117.07017	1.5
119.08567	13.0
119.09345	1.1
121.06500	1.8
121.10129	6.3
123.08057	2.3
123.11707	2.4
128.06160	0.7
129.06987	7.4
131.08569	7.8
133.06474	2.4
133.10133	4.1
137.09612	1.0
137.13358	0.7
142.07768	1.8
145.10141	1.5
147.08063	2.7
147.11671	10.4
149.09612	4.1
157.10120	8.9
160.03893	0.6
165.12749	3.9
175.11166	8.7
193.12242	17.5
211.13225	2.6
223.13371	1.0
236.88531	0.8
249.14790	0.8
267.15900	48.2
285.10074	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	266.2478
Annotation	Lepadiformine B
Peak:m/z	Relative Intensity
50.43045	0.6
53.03926	0.7
53.44839	0.7
53.80673	0.6
55.05500	1.2
56.96558	1.5
57.03414	1.4
60.13300	0.6
60.95823	0.8
67.05502	1.5
69.07054	2.0
71.04956	0.8
71.08617	2.5
71.60302	1.4
74.51534	0.7
79.05491	0.9
80.05009	1.0
81.03439	1.6
81.07043	2.2
82.03724	0.8
82.06557	1.0
83.04964	1.3
83.08619	1.3
86.09718	0.6
90.69688	0.7
91.05475	1.1
91.99357	0.7
93.07024	1.7
95.04961	1.2
95.08598	1.3
97.06535	0.7
98.06059	1.3
105.07018	1.6
107.08590	1.5
110.09657	0.8
118.07310	0.9
121.02871	1.6
123.11742	1.1
124.11240	1.0
135.11664	1.1
136.11232	1.9
137.02344	9.3
137.03342	0.9
138.02702	6.7
138.03680	1.0
144.54280	0.7
150.12750	6.9
152.14343	14.2
166.15857	3.7
168.13847	4.0
168.17426	1.7
192.17496	2.8
222.22157	100.0
223.22385	1.3
224.23534	0.9
228.26587	0.8
266.24777	77.3
267.25046	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03926	3.8
55.01866	2.3
55.05510	6.9
56.79720	1.0
57.03434	21.5
65.03932	1.0
66.93202	1.0
67.05497	12.0
69.03418	2.1
69.07056	3.5
71.04956	2.3
79.05486	12.2
81.03413	100.0
81.07050	13.7
83.04954	5.6
83.08615	14.4
85.67748	0.9
87.53074	1.1
91.05476	20.1
93.07055	6.9
95.04362	1.6
95.04960	20.4
95.08602	5.2
97.02868	2.6
97.06483	1.4
97.10165	2.1
105.06400	1.2
105.07027	14.4
107.04947	4.9
107.08596	3.4
109.06508	3.5
109.10135	2.0
111.08050	5.9
113.05990	1.1
119.08554	11.8
121.06530	1.8
121.10106	4.2
123.08045	1.8
125.09677	1.0
129.06999	8.0
131.08539	6.9
133.06490	2.3
133.10114	3.9
136.06187	1.2
137.09593	2.0
142.07773	2.9
147.07999	2.4
147.11685	7.2
149.09619	4.0
157.10110	9.1
165.12735	2.5
175.11128	8.7
193.12228	20.5
211.13274	3.0
267.15897	40.0
277.21347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.6
56.96545	0.9
57.03426	1.2
57.07058	0.5
61.61960	0.5
67.05479	1.5
69.07048	1.1
70.06552	0.5
71.04959	0.5
71.08626	2.6
78.73582	0.5
79.05481	1.7
80.05025	0.7
81.03429	4.6
81.07070	3.0
82.06546	0.6
83.08620	1.2
84.08126	0.8
86.09726	0.6
91.05457	1.7
93.07017	1.4
95.04948	2.0
95.08581	2.2
96.08090	0.6
98.40990	0.5
98.97546	1.0
105.06989	1.3
107.04918	0.7
107.08552	0.9
108.08128	0.5
109.08899	0.7
109.10123	0.8
110.09607	0.7
112.07622	1.0
116.98632	1.1
119.08546	0.9
121.10136	0.9
122.09684	0.7
123.10442	0.8
124.11220	0.9
124.68140	0.6
133.10114	0.6
134.99648	0.7
136.11214	1.6
137.13246	0.6
147.11636	0.8
150.12791	5.4
152.14374	3.7
157.10141	0.7
164.14281	0.8
165.15100	0.6
166.15924	10.2
168.13843	3.3
168.17474	1.5
177.00662	0.6
178.15854	2.3
179.16728	0.7
180.17453	0.9
192.17490	6.5
193.12315	1.0
193.18222	1.7
220.20602	1.2
222.22159	100.0
223.22470	1.2
266.24783	81.1
267.15881	3.9
267.25134	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04519	10.1
65.08211	1.2
67.98597	1.2
69.31631	2.1
69.32037	11.2
70.02923	1.5
88.03983	60.9
91.05473	87.2
102.05534	100.0
121.50494	1.2
130.05009	1.9
140.88454	1.2
146.05975	3.0
148.06038	54.0
185.22475	1.3
201.66512	1.2
206.08131	3.4
220.09715	3.9
248.09218	1.8
255.32913	1.2
287.05280	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.0
56.45176	0.4
56.96546	0.6
58.06595	0.8
59.93222	0.4
70.06590	2.3
70.75182	0.9
70.75529	0.6
72.08150	69.9
89.03912	4.6
90.09182	15.2
98.97569	0.5
106.04253	0.4
111.31273	0.5
117.03369	19.2
134.03648	1.3
135.04424	1.1
145.02834	53.1
146.03189	0.8
149.05963	6.5
150.07779	1.1
150.91412	0.4
152.07076	0.8
152.78079	0.4
153.01834	2.4
163.03854	0.5
177.05453	100.0
178.05801	1.4
178.08597	0.9
206.05786	0.5
206.08107	1.8
221.08078	16.2
233.58717	0.5
237.02829	0.7
266.10825	0.9
266.13824	11.9
266.16302	0.8
276.73306	0.5
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
63.76704	0.1
67.20184	0.1
71.57413	0.1
74.31677	0.1
81.17348	0.1
81.80551	0.1
82.99895	0.3
85.55955	0.1
89.92163	0.1
101.00881	1.3
106.75819	0.1
119.01919	10.0
120.02029	0.2
127.62303	0.1
134.99884	0.7
137.01945	0.2
137.02951	3.6
140.98810	0.2
151.26265	0.1
153.00932	0.5
158.99831	0.9
165.99730	0.3
175.02989	0.3
177.00946	20.6
178.01077	0.9
179.01263	0.1
182.99954	0.4
193.04068	0.4
195.01994	0.4
200.02623	0.3
201.00917	1.0
217.04073	2.8
218.03902	0.1
219.02000	25.0
220.02147	1.2
221.01935	0.5
225.00824	1.9
242.03621	0.3
243.01967	6.5
244.02039	0.3
260.04694	0.3
261.03049	100.0
262.03223	3.0
263.03369	0.5
266.03644	0.2
275.04565	0.2
284.04721	2.6
287.99533	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	265.1432
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
52.14581	1.8
53.03946	3.6
55.01865	3.3
55.05502	10.0
59.93094	4.6
65.03931	5.2
65.92873	1.8
67.05495	13.7
69.03413	17.7
69.07069	4.2
71.04990	7.9
71.28708	4.7
72.08159	13.7
78.04733	2.0
79.00658	3.4
79.05518	12.2
81.03376	2.1
81.07038	10.0
83.04963	5.1
84.04507	2.5
85.02921	5.0
86.03226	2.3
86.89758	1.9
91.05470	34.4
93.03414	2.9
93.07030	20.8
95.04964	24.3
95.08606	9.6
97.01714	2.1
97.02847	3.3
97.06538	3.3
99.04433	4.8
103.05486	11.1
105.07023	36.6
107.04945	5.3
107.08557	10.4
109.06503	13.7
111.04453	15.2
111.08048	3.6
113.05982	9.5
115.05462	7.2
116.06230	2.7
116.98605	2.8
117.06981	16.4
118.06498	2.5
119.08574	45.5
120.08098	100.0
121.02841	7.0
121.06507	20.0
121.10136	6.1
122.07137	4.4
123.08051	14.0
128.06190	6.5
129.07004	17.5
131.04921	7.3
131.08563	20.5
133.06473	9.0
133.10118	8.4
134.09599	2.6
135.08047	35.3
135.09935	3.9
136.07530	4.2
137.09596	7.9
139.03889	5.5
139.07549	4.2
139.12273	5.0
141.07001	5.5
142.07787	6.1
143.08554	9.3
144.05751	2.7
144.09354	6.4
145.06477	18.2
145.10138	13.1
146.07182	3.2
147.08031	20.4
147.11723	6.7
149.09630	5.5
153.01851	3.8
153.09135	3.1
155.08542	5.2
156.09285	4.3
157.06447	4.3
157.10107	10.8
158.07274	12.1
158.10980	2.7
158.14781	2.3
159.04405	4.9
159.08037	19.3
159.11682	19.3
161.05977	4.0
161.09604	15.5
165.09134	13.3
168.09367	2.8
169.10049	3.6
170.00331	5.6
171.08054	4.6
171.11632	5.2
172.08806	9.1
173.05968	10.7
173.09584	9.4
173.13210	9.6
174.06754	3.1
175.07524	38.1
175.11143	20.3
177.09000	2.6
180.78175	2.1
181.05241	4.1
183.11694	3.6
185.09634	3.8
187.11159	20.1
189.09116	5.0
189.12769	7.9
191.06897	2.5
193.08643	9.9
199.11201	5.8
201.12680	18.2
203.10686	19.1
205.12306	2.3
211.11127	11.7
215.05904	2.8
215.97258	2.8
217.12210	12.3
219.06540	27.6
219.13728	5.5
223.97849	4.7
229.12222	12.7
235.13301	5.0
247.13197	22.1
265.03455	3.8
265.06940	5.4
265.12900	13.1
265.14905	10.8
265.17477	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	265.1433
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03937	6.9
55.05493	16.4
56.46218	4.1
58.06602	6.4
58.87308	4.2
65.03923	9.7
67.05502	28.4
69.03426	38.6
69.60826	19.4
69.61258	16.7
71.04990	8.5
79.05478	30.2
81.07036	17.9
83.04984	12.0
83.08612	4.5
91.05476	52.5
93.03399	8.1
93.07041	45.6
95.04964	45.3
95.08595	25.2
97.06518	8.7
99.04452	9.1
105.07029	74.3
106.07369	4.2
107.04938	10.1
107.08595	27.9
109.06518	24.4
109.10162	8.0
111.04416	36.8
111.08062	14.9
113.06013	20.3
115.05453	9.5
116.06252	6.6
117.07022	18.3
119.08577	100.0
120.08091	6.0
121.02853	15.4
121.06489	53.9
121.10149	14.1
123.08067	32.4
123.99521	5.2
124.20056	4.2
128.06177	5.5
129.06999	15.5
130.07736	6.8
131.04959	4.4
131.08556	46.0
133.06496	18.3
133.10114	22.2
135.08057	85.1
137.09552	15.0
139.03899	12.7
139.07582	13.6
141.06985	12.3
142.07785	12.2
143.08563	18.8
144.05675	6.3
144.09308	8.8
145.06473	19.5
145.10139	27.9
146.07294	7.2
147.08044	47.3
147.11670	20.2
149.05971	5.1
149.09593	13.2
153.06960	6.2
155.08475	12.3
156.09341	7.9
157.06461	6.6
157.10124	29.1
158.07256	32.0
159.08067	46.2
159.11661	39.0
160.08829	5.3
161.09592	37.9
161.13176	5.4
165.09123	29.6
168.09361	8.2
169.10083	7.0
171.08066	9.5
171.11731	12.1
172.08833	23.9
173.06023	5.1
173.09627	24.4
173.13264	23.6
175.07545	77.0
175.11203	40.3
181.06447	7.4
181.10147	6.6
183.11652	9.1
185.09581	9.8
186.10457	6.8
187.11130	39.9
189.09090	6.8
189.12770	15.2
193.08621	26.1
193.10068	6.2
196.08849	8.5
199.11166	12.2
201.12740	40.0
203.10661	52.1
205.12291	11.0
211.11163	22.9
217.12279	33.4
219.06401	5.9
219.13710	10.2
229.12242	34.2
235.13177	10.4
247.13278	41.4
265.14325	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	265.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20677	14.7
55.01862	34.5
55.05487	18.2
56.96561	57.6
57.03425	42.4
61.02926	25.6
67.05497	34.5
69.03431	86.9
69.07064	34.5
69.11563	13.7
70.06585	23.7
71.01344	25.0
71.04989	25.4
71.50842	26.5
72.08112	15.6
72.27139	14.3
73.02920	100.0
79.05485	33.0
81.03420	27.9
81.07040	35.3
83.04959	28.2
85.02913	76.8
85.06583	13.5
87.04482	14.6
89.17115	12.8
91.05479	79.7
93.07039	45.4
95.04965	42.2
95.08585	42.0
97.02880	61.3
98.97586	28.3
99.04454	25.5
105.07001	71.2
107.04948	15.7
107.08583	38.6
109.02917	20.2
109.06505	22.1
111.04439	34.0
115.03935	45.2
116.98611	23.9
117.07069	36.6
119.04953	29.1
119.08562	85.4
121.02864	55.1
121.06494	43.0
121.10131	18.5
122.07159	31.6
123.08062	29.8
127.03886	21.6
128.98547	18.7
129.07021	33.7
131.04977	14.8
131.08594	35.2
132.05731	13.1
133.04982	68.0
133.06490	29.1
133.10132	21.7
134.99599	16.6
135.08047	62.8
137.06004	23.4
137.09631	16.4
139.03897	31.4
139.07582	15.4
144.04730	15.4
145.06497	23.5
145.10101	32.6
146.99648	21.5
147.04388	31.8
147.08060	44.9
151.07492	18.6
153.01881	26.3
153.44202	12.8
157.10107	17.6
159.07982	22.8
159.11650	29.9
161.09656	35.1
165.09077	26.7
172.08748	17.8
173.09668	25.8
175.07533	54.0
175.11183	24.0
187.11147	23.2
189.12881	19.1
193.08629	34.9
199.11304	19.5
201.12749	20.3
203.10672	31.4
204.53969	15.7
206.08255	16.1
217.12375	24.6
219.13837	18.8
229.12169	18.5
237.02843	17.0
247.13260	34.3
265.06882	32.6
265.10864	17.7
265.14313	42.7
265.25519	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	263.2368
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.01848	1.6
55.05509	16.3
56.96559	1.8
57.03415	2.1
57.07072	12.8
65.03925	2.6
67.05504	82.2
69.07063	20.2
71.04974	2.6
71.08628	6.0
71.30325	1.8
71.30668	1.0
79.05070	1.1
79.05493	22.7
81.07055	100.0
83.04985	2.2
83.08611	12.3
85.06540	3.6
85.10178	2.6
91.04971	1.4
91.05486	20.3
93.07041	23.1
95.04946	3.6
95.08603	88.0
97.06532	6.9
97.10179	6.5
99.08091	4.1
102.08064	1.1
104.99268	12.3
105.07021	13.9
107.08596	13.4
108.78318	1.2
109.06512	2.2
109.10152	42.6
111.08060	4.6
111.11708	1.3
113.09660	2.7
116.79088	1.1
119.08582	11.0
121.10128	19.2
123.08045	2.3
123.11691	19.3
125.09576	1.4
127.11160	3.4
129.06961	1.0
131.08553	1.3
133.10130	17.5
135.11693	12.3
137.09636	2.5
137.13275	7.4
141.12733	2.2
143.08528	2.6
147.11696	10.3
149.13266	8.3
151.11156	1.5
151.14809	9.1
157.10126	1.6
161.13268	10.6
163.14824	7.7
165.16402	10.3
171.11635	3.2
175.14812	10.5
177.16341	2.4
179.18011	5.3
189.16382	4.8
196.38312	1.2
203.17776	1.3
217.07498	1.7
217.12172	2.5
245.22646	31.2
263.23688	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	263.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	1.3
58.99861	2.2
60.25436	0.7
67.00423	0.8
70.39007	2.8
70.99812	0.8
74.18103	0.7
75.96969	0.7
77.00916	5.5
80.33952	0.7
81.03386	1.8
82.99844	1.4
95.01906	2.2
101.00882	13.9
105.00362	1.3
109.02853	1.1
113.00891	1.0
115.02435	1.2
119.01922	60.5
120.02087	0.8
127.02437	1.3
131.01903	7.8
133.03430	1.8
137.02954	13.3
139.02414	2.7
142.03456	1.5
143.01895	24.8
145.03456	7.2
149.02887	2.1
155.01926	1.9
157.03467	15.2
159.01357	1.2
160.40398	0.8
161.02957	100.0
162.03041	1.3
163.04533	2.1
167.01921	1.7
171.11670	0.8
173.02951	6.4
175.04532	7.0
179.04047	5.2
184.04553	1.9
185.02974	6.4
187.04636	1.2
191.04019	5.7
203.04004	27.5
204.04144	0.8
216.99660	1.1
221.05075	15.1
239.06107	11.8
244.50845	0.7
245.05157	1.1
256.97528	1.0
262.94901	2.4
263.06125	95.7
263.92578	2.9
264.06293	1.3
272.38861	0.8
281.07169	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	263.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	2.7
58.06600	0.7
61.32390	0.6
67.05496	1.2
70.06242	0.9
70.06591	12.3
70.11858	0.6
71.04964	0.5
71.59129	0.7
71.59514	0.7
72.08174	0.9
81.07047	1.8
82.02905	0.8
85.02901	1.1
85.16485	0.5
87.85876	0.6
88.96462	0.6
91.05471	1.7
93.07043	0.8
94.06564	2.6
95.04928	0.9
95.08593	0.7
103.05450	3.5
105.07034	1.6
107.08558	0.7
116.07087	25.3
116.98580	1.3
117.07016	0.8
119.04953	0.9
120.08100	33.3
123.11665	0.7
129.07042	0.8
130.06520	44.7
132.04449	14.7
134.99651	0.8
146.06027	1.3
147.04393	2.2
147.09151	0.9
148.07607	0.7
153.01859	3.8
157.07608	100.0
158.06004	44.5
159.06300	0.9
159.08061	1.1
161.02917	1.2
161.05980	0.8
175.08667	54.7
176.06995	0.9
189.05501	0.9
194.16505	0.6
199.08699	3.1
203.08148	18.4
204.06584	1.3
217.09749	7.5
217.11966	1.0
221.09201	21.7
237.02805	1.2
238.89072	0.6
239.02415	1.1
245.09273	9.9
245.11684	0.8
246.26141	0.6
263.05542	1.7
263.10425	5.6
263.13931	4.2
263.16409	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0162
Annotation	Unknow
Peak:m/z	Relative Intensity
66.02169	14.3
69.89867	33.3
69.90265	51.6
78.98574	12.3
98.20698	17.3
120.20061	15.7
133.93222	17.2
143.01917	23.0
161.02934	81.1
173.02922	32.3
203.03903	19.9
263.01614	100.0
263.06000	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42465	21.4
62.26112	22.4
70.84685	39.5
128.51775	19.5
136.85631	19.8
186.29794	21.8
245.03114	22.9
263.01474	100.0
265.85513	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	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.9
51.67858	0.9
52.34380	0.8
53.03935	3.3
55.01853	1.3
55.05510	15.4
57.03414	1.6
57.07076	4.1
57.41832	0.8
65.03918	2.6
65.77057	0.7
67.05502	50.2
69.07063	15.6
71.04977	3.4
71.08620	2.0
79.05488	66.1
80.78785	0.8
81.03390	0.9
81.07053	53.1
83.04978	1.6
83.08612	8.0
85.06538	4.1
91.05477	33.0
93.07039	83.0
95.04972	7.7
95.08601	41.3
95.09044	0.7
95.09232	1.1
97.06496	3.6
97.10155	2.9
98.20758	1.4
98.82901	0.7
99.08079	3.1
102.96988	0.8
105.04530	1.3
105.06380	1.4
105.07027	20.3
107.08589	54.6
109.06498	2.4
109.10150	14.4
111.08105	3.9
111.14230	0.7
113.09657	1.5
117.07021	8.1
119.08568	17.2
121.10137	47.1
122.10483	0.8
123.08047	2.2
123.11727	5.5
125.09650	1.4
129.07004	0.9
131.08569	16.9
133.10132	16.0
135.08080	0.8
135.11688	40.3
137.09605	2.4
137.13226	2.4
145.10121	16.0
147.10609	1.4
147.11679	12.4
149.09612	1.0
149.13252	27.7
151.11241	1.2
153.12764	0.9
159.11678	12.0
161.13245	12.9
163.14816	22.9
165.12692	1.5
173.13255	13.6
175.14842	4.3
177.16391	6.1
179.14331	2.7
187.14838	8.0
189.16325	1.1
191.14418	0.9
201.16376	3.4
215.17999	1.8
217.19511	1.0
219.17435	1.0
233.22609	1.6
243.21088	33.8
243.23593	1.6
261.22134	100.0
262.22479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03937	3.5
55.05504	15.8
57.03396	1.8
57.07064	5.0
57.72511	1.7
65.03929	3.5
67.05503	46.2
69.07065	14.2
69.31335	15.2
69.31751	3.4
71.04977	2.0
71.08603	1.5
79.05489	57.8
81.07056	52.4
83.08611	5.5
85.06531	3.8
91.05480	33.0
93.07042	76.3
93.23392	1.6
95.04947	5.4
95.08044	3.0
95.08605	39.7
97.06519	3.9
97.10165	2.4
99.08054	4.6
102.98403	1.4
105.07030	22.5
105.88407	1.4
107.08591	53.6
109.06531	2.7
109.10145	16.7
111.08065	2.5
113.09661	2.0
117.07008	5.3
119.08578	18.0
121.09305	3.2
121.10136	43.1
123.08028	2.9
123.11671	5.9
131.08577	13.5
133.10129	13.8
135.11684	34.3
137.09688	2.0
137.13280	2.1
145.10115	17.9
147.11699	10.9
149.13251	25.6
151.11101	1.6
159.11655	12.1
161.13264	12.8
163.14812	19.6
165.64470	1.9
173.13281	9.9
175.14809	4.4
177.16370	4.9
180.03064	1.6
187.14806	8.8
189.16432	2.5
197.09549	1.4
201.16435	3.1
215.17882	1.7
233.22707	3.1
234.51785	1.5
243.21077	33.9
261.13086	2.5
261.22122	100.0
262.14496	4.3
276.01279	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02347	0.8
53.03940	2.3
54.41514	0.6
55.01876	1.2
55.05260	1.0
55.05504	14.1
55.79085	0.6
57.03436	1.4
57.07066	4.9
63.36491	0.6
63.46738	0.6
65.03929	2.5
65.21660	0.7
67.05497	45.9
69.07059	15.8
71.04974	2.4
71.08607	2.3
71.60007	1.2
74.30391	0.7
77.03917	0.8
77.67715	0.6
79.05483	60.3
81.07048	47.1
83.04960	1.6
83.08619	6.8
85.06546	3.4
91.05469	31.8
91.18572	0.7
93.07033	77.4
95.04972	5.9
95.08596	38.0
97.06515	2.4
97.10172	3.1
99.08094	3.9
105.04498	0.7
105.07020	18.5
107.08584	47.0
109.06501	2.4
109.10149	17.7
111.08074	3.0
111.11668	0.8
112.53265	0.7
113.09626	1.3
117.06996	6.4
119.07838	0.5
119.08566	16.1
121.10129	45.8
123.08015	1.4
123.11689	4.7
125.09650	1.5
129.06987	1.0
131.08551	16.2
132.01065	0.7
133.10117	14.6
135.08081	0.7
135.11671	33.4
137.09607	2.0
137.13222	1.3
139.11163	1.2
144.20760	0.6
145.10106	17.8
147.11678	11.0
149.09584	1.5
149.13245	27.9
151.11180	1.3
151.14761	1.0
153.12808	0.9
159.11659	12.6
161.13239	13.3
163.14803	20.0
165.12709	0.8
167.78833	0.8
171.58038	0.7
173.13255	9.8
175.14848	4.5
177.16388	6.0
178.94493	0.6
179.14293	2.0
187.14825	8.0
189.16331	0.9
191.14299	0.9
201.16357	3.0
203.51981	0.7
204.13835	2.8
205.14174	8.2
215.17859	2.1
219.17407	0.9
233.22653	1.4
243.21059	32.2
261.22116	100.0
262.22385	1.5
271.83023	0.6
272.15985	0.8
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
50.24541	0.7
53.03933	2.6
55.01866	0.8
55.05505	14.6
57.03416	1.3
57.07076	3.6
58.73700	0.7
65.03926	1.4
67.05501	42.0
69.06721	0.9
69.07067	12.1
69.36422	0.7
69.36733	6.9
71.04978	1.8
71.08630	1.7
77.03915	0.9
79.05488	56.0
81.07053	46.5
82.73969	1.0
83.04972	1.0
83.08612	7.1
85.06547	3.7
91.05477	29.8
93.07037	71.4
95.04971	5.7
95.08601	35.0
97.06516	2.3
97.10156	2.6
99.08099	3.3
105.04484	1.1
105.07025	18.5
107.08589	45.5
109.06509	2.0
109.09443	1.3
109.10147	15.9
111.08067	3.5
113.09653	1.5
117.07010	5.8
119.08576	16.0
121.02837	0.7
121.10140	41.5
123.08073	1.5
123.11708	4.2
125.09637	1.5
129.06975	1.1
130.07764	0.7
131.08557	15.0
133.10112	14.2
135.08076	1.0
135.11685	36.1
137.09619	2.1
137.13205	1.6
139.11145	0.9
143.08578	0.8
145.10120	14.7
147.11682	12.5
149.09605	1.1
149.13251	29.0
151.11150	0.6
151.14838	0.9
153.12740	0.8
159.11670	10.6
161.13266	13.0
161.45380	0.8
163.11133	1.2
163.14810	20.2
165.12720	2.1
173.13261	11.5
175.14807	5.4
177.12799	1.1
177.16393	5.1
179.14352	1.4
187.14792	8.3
189.16464	0.8
192.76564	0.7
193.15860	0.8
201.16321	3.3
215.17886	2.1
219.17404	1.1
233.19034	1.1
233.22545	1.0
243.21071	33.8
261.22125	100.0
262.22552	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19530	1.2
56.82561	1.1
56.96547	4.7
57.03440	1.3
71.45609	2.1
72.36768	1.3
95.04970	2.2
98.98447	3.6
107.04926	6.5
108.05253	2.2
123.04430	4.0
132.05243	1.7
144.78748	1.3
151.03891	3.5
169.01085	2.5
175.52844	1.8
201.03641	2.3
229.03186	25.0
243.04868	6.7
261.05792	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.058
Annotation	Suprofen
Peak:m/z	Relative Intensity
54.42753	1.6
56.96560	1.8
58.06592	3.8
70.55513	5.0
70.55873	1.9
84.08128	2.2
85.46996	1.4
87.90937	1.3
101.00858	2.1
114.02974	1.5
116.98591	2.1
119.01910	2.4
133.03442	2.2
138.99960	1.4
157.77267	1.3
161.03011	1.4
171.02618	2.3
200.93636	1.5
201.03667	3.9
229.03198	34.8
243.04706	3.5
261.05820	100.0
261.09354	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	261.2211
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.00321	0.7
53.03943	3.0
55.01869	1.0
55.05511	12.5
57.03426	1.6
57.07074	4.0
57.76480	0.6
62.41941	0.5
65.03932	2.2
66.40080	0.5
67.05500	41.1
69.07062	13.2
71.04980	2.1
71.08618	1.4
73.18256	0.5
73.58582	0.5
77.03875	0.8
78.04689	0.6
79.05487	59.0
81.07050	52.3
81.07424	0.6
83.04975	1.0
83.08615	7.8
83.92702	0.5
85.06542	4.4
91.05476	29.7
93.07036	78.4
95.04974	5.5
95.08600	36.2
97.06505	3.5
97.10172	3.2
99.08071	4.7
105.04479	0.8
105.07022	19.3
107.04989	0.7
107.08588	47.2
109.06516	2.3
109.10146	15.3
111.08081	3.0
113.09626	1.1
117.07005	8.1
119.08569	15.0
119.49271	0.5
121.10136	43.8
123.08050	1.5
123.11698	4.0
125.09618	1.3
129.06961	0.7
131.08562	15.0
133.10120	13.8
135.11682	37.0
137.09610	2.0
137.13251	1.4
139.11185	1.0
145.10118	16.2
147.11679	11.9
149.09627	1.2
149.13251	28.0
151.11176	1.4
151.14828	1.0
153.12764	0.7
159.11681	12.7
161.13234	13.8
163.11172	0.6
163.14812	22.8
165.12752	1.5
173.13248	10.9
175.14818	5.5
177.16400	5.9
179.14272	1.6
187.14790	7.1
189.16391	1.0
201.16359	4.2
203.17970	0.9
215.17889	1.9
217.19403	0.8
219.17374	0.9
233.22604	1.1
243.21068	34.8
261.22122	100.0
262.22385	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2055
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05520	11.0
57.07070	3.6
59.94602	1.8
60.68085	2.2
67.05491	8.6
69.07070	31.9
69.35944	8.1
69.36372	12.1
71.04996	29.7
75.20586	2.2
79.05480	5.6
81.07069	17.4
83.04984	4.3
83.08614	9.4
85.06538	27.9
85.99533	2.2
91.05471	10.1
93.07059	14.7
95.04947	4.2
95.08614	15.4
97.06537	4.4
103.54602	2.2
105.07032	25.2
106.48602	2.0
107.08598	22.7
109.06532	10.8
109.10139	14.9
111.08071	8.6
117.07011	8.6
119.07787	3.7
119.08587	55.0
120.09321	2.6
121.10139	15.6
123.11714	26.1
128.06107	2.6
129.07002	4.7
130.07782	2.9
131.08565	13.8
133.10118	35.3
135.08014	11.0
135.11667	6.1
137.09552	3.2
142.07767	5.4
143.08531	7.6
145.10124	39.9
147.11662	21.2
149.09647	2.7
149.13318	3.2
151.11208	2.6
156.09329	4.1
157.10129	13.9
159.11682	34.0
160.12447	4.0
161.09621	3.2
161.13254	40.9
163.11201	2.8
170.10870	2.7
171.11653	16.7
173.13271	14.3
175.11174	4.7
175.14818	89.6
176.15486	3.5
177.12743	6.4
185.13272	17.8
189.12837	4.5
189.16318	4.8
190.13528	2.4
191.14342	2.3
199.14801	6.4
201.16399	26.1
203.14328	10.8
215.17937	5.6
217.19536	6.1
217.51431	2.2
233.37360	2.3
241.19514	18.6
246.46494	2.3
259.20569	100.0
263.92020	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	259.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31750	1.4
55.01880	8.5
55.05510	10.8
56.05032	12.3
56.96555	1.9
58.99582	14.3
61.01138	2.7
65.51550	1.4
67.05496	3.8
68.05021	5.6
69.07056	2.0
70.02952	2.7
70.06599	2.0
71.11786	3.6
72.08528	1.5
74.00664	4.3
76.02228	4.9
76.04014	4.1
79.05489	53.1
79.15876	1.6
80.05006	5.1
81.07053	30.7
82.06578	11.4
83.08601	2.6
84.04514	10.4
85.01126	100.0
85.04034	6.2
86.00654	29.5
86.99061	4.8
88.02202	6.1
88.03991	3.2
90.34858	1.8
92.01707	2.5
93.07063	4.7
94.06554	10.1
95.04974	4.9
95.08601	5.2
96.08100	11.9
97.01121	4.1
97.06495	3.0
97.08919	10.0
98.09694	32.2
100.02225	2.5
105.07050	7.0
108.08131	6.8
109.08888	2.7
110.09679	14.1
112.03951	11.2
113.04225	98.2
114.05491	1.7
116.01668	22.4
122.09702	14.2
123.10457	2.5
130.05002	42.3
131.04500	3.6
139.05762	6.5
143.02705	2.6
144.01160	3.1
149.02374	4.0
156.07117	4.1
156.08435	77.0
156.10205	43.9
162.02203	6.1
177.03297	9.5
189.03273	7.7
197.01375	1.9
213.05486	2.3
215.81371	1.7
231.06586	1.8
234.38585	1.7
242.08452	18.7
259.05811	2.5
259.11151	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.06
Annotation	Alternariol
Peak:m/z	Relative Intensity
55.01864	2.0
56.05030	2.9
58.55866	0.2
58.99583	1.3
59.15675	0.2
61.01168	0.3
65.03934	3.3
67.05498	0.3
68.05011	0.6
68.99783	3.7
69.03417	0.8
70.02958	0.6
71.59301	0.3
72.08155	0.3
76.03983	0.3
79.05484	1.1
80.05002	0.3
81.03407	0.5
81.07069	0.7
84.04490	0.6
85.01108	1.3
85.02905	0.5
86.00652	0.7
86.99064	0.6
87.02676	0.5
88.02217	0.4
91.05487	0.7
93.07054	0.2
94.06593	0.4
95.01334	0.3
95.04978	0.5
96.08112	0.5
97.01112	0.3
97.02885	1.1
98.09688	4.4
100.45881	0.3
102.05551	0.9
103.05508	0.3
105.03370	0.3
105.07026	1.0
107.04938	0.8
108.08108	0.5
109.02898	0.4
110.03638	0.5
110.09650	1.1
111.04438	0.8
112.03996	0.3
113.04210	1.7
115.03894	0.3
115.05479	0.9
116.01677	1.5
117.07003	0.8
119.04898	0.3
119.08562	0.3
121.02859	19.7
122.09672	0.4
123.04424	6.1
128.06206	1.3
129.06998	3.2
130.05025	0.5
130.06885	0.5
131.04930	0.4
133.06471	0.9
135.04439	0.5
137.02321	1.3
139.05405	2.2
141.06999	0.5
143.02736	0.3
143.04926	0.5
145.06508	1.5
147.04393	2.3
147.08075	0.6
149.02333	100.0
150.02731	1.3
151.04015	0.3
153.01825	0.8
156.08432	3.0
156.10204	3.5
157.06480	10.1
160.05247	0.7
161.05959	1.5
163.03886	1.6
163.07611	0.5
165.01811	0.5
167.03418	1.3
167.04959	0.9
171.04385	0.7
174.06850	0.3
175.07539	3.2
184.05199	0.9
185.05965	16.1
189.05475	1.5
195.05611	0.5
203.07056	1.5
212.04640	0.4
213.05453	17.9
214.05766	0.3
214.82195	0.3
216.06888	1.1
231.06506	76.4
232.06786	1.4
241.05077	1.3
259.06009	53.0
259.10809	5.4
260.06299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01866	4.9
55.05501	5.2
56.05032	44.7
56.96561	0.6
58.99580	15.1
60.04515	1.5
61.01127	2.6
62.87388	0.7
67.05477	1.6
68.04715	0.7
68.05025	7.6
69.03413	0.8
69.05801	0.6
69.07050	1.1
69.37180	0.6
70.01003	0.6
70.02948	6.5
70.06557	1.1
70.99568	4.1
71.59625	1.2
72.08124	0.7
73.01114	2.7
74.00668	1.2
74.02448	3.3
76.02222	2.9
76.03996	5.8
79.05491	12.2
80.05013	5.5
81.05788	2.9
81.07048	7.2
82.06564	2.3
83.04881	0.5
83.08607	0.8
84.04492	7.2
84.08146	3.2
85.01124	20.2
85.03993	0.9
86.00648	13.3
86.29457	0.6
86.99049	7.4
87.02689	7.7
88.02205	4.7
88.03975	1.1
91.05447	1.4
93.05762	0.8
93.07023	2.0
94.06559	6.5
95.04958	1.5
95.07351	1.1
95.08573	2.1
96.08120	7.3
97.01105	5.1
97.02880	0.9
97.08903	0.6
98.09684	68.7
99.05551	2.5
100.02203	1.3
100.11220	1.6
102.03771	1.2
102.05537	15.5
105.07059	2.8
108.08101	6.3
109.08873	1.9
110.09678	15.0
111.02645	1.1
112.03954	9.0
113.04224	31.7
114.03754	3.0
114.05500	0.8
115.05755	0.8
116.01668	29.6
116.03402	0.9
116.98600	0.9
121.02897	1.2
122.09660	8.7
123.04389	1.7
123.10431	1.7
124.11240	0.7
127.05806	0.8
130.05008	8.0
130.06856	9.4
130.08609	5.2
139.05731	2.0
143.02724	3.9
144.01138	4.7
145.06058	5.1
149.02351	6.0
153.01768	1.4
156.08398	46.6
156.10173	56.2
157.08760	0.9
162.02197	9.1
165.01671	0.7
170.07082	0.7
173.09506	0.7
174.02141	0.6
177.03235	0.9
184.07851	1.2
185.06023	1.4
188.03709	2.5
188.08150	2.3
189.03284	4.5
202.08943	0.8
213.05447	1.9
213.10524	2.4
214.06050	1.2
216.06865	15.7
231.06528	5.4
232.07158	2.2
242.08411	3.3
259.05887	3.6
259.08337	8.6
259.11078	100.0
260.11292	1.2
261.85541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74428	0.6
54.98630	0.9
56.96560	15.7
63.97105	0.7
64.99221	0.6
71.58746	1.3
71.95258	2.3
77.25935	0.6
87.49348	0.6
98.97575	100.0
100.97174	0.8
116.98613	83.5
119.01918	1.7
127.61597	1.0
134.99651	41.7
140.00195	1.5
153.00716	5.9
158.01204	1.0
177.00911	2.3
178.00993	1.3
201.01007	0.7
216.73988	0.7
219.02002	7.4
220.02078	2.2
230.94153	1.2
234.99681	1.6
236.94171	0.8
240.98746	3.0
245.39529	0.7
248.00293	1.4
258.99734	42.6
259.99963	1.7
277.00781	85.4
278.00934	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	5.8
58.06581	2.2
70.98115	1.8
71.38984	3.0
73.02889	1.6
84.04500	2.1
85.02916	2.2
95.04980	1.9
97.02914	1.7
98.97561	3.1
101.00866	1.7
107.04927	8.2
119.01881	8.4
128.07150	1.2
133.03476	4.2
137.02097	1.8
137.03026	1.9
138.99963	3.5
140.03433	3.0
149.01152	1.7
151.04555	2.0
151.64145	1.4
158.04501	2.5
161.02870	1.8
171.01237	2.7
175.00853	5.8
177.00687	1.7
189.02446	3.2
193.01874	3.3
199.02147	24.2
217.01894	5.3
235.02910	5.1
241.03151	12.4
259.04248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.8
56.96568	2.2
57.03431	5.8
57.07046	1.3
58.06582	1.6
67.05504	1.3
67.56719	0.8
69.03423	1.2
70.92995	1.9
75.04472	2.0
79.05499	5.2
81.07027	1.3
85.02903	1.6
86.09695	0.9
91.05466	2.7
93.07030	0.9
94.04178	1.1
95.04938	1.2
97.02921	1.0
98.97567	1.7
103.05444	3.9
105.07033	30.6
107.04927	3.3
109.06498	1.6
116.98597	2.0
117.06992	1.0
121.06461	0.9
122.03611	4.2
123.04420	1.3
124.05177	1.4
127.03909	1.3
133.06488	48.1
134.99677	2.0
135.04393	2.0
135.08003	1.2
136.05077	0.9
137.05969	100.0
138.06285	0.9
139.03871	0.8
143.08408	0.9
145.06444	1.0
147.04385	1.5
151.07465	1.0
163.03915	1.6
163.07481	3.8
165.09099	21.4
165.83640	0.8
175.07588	4.2
177.09082	2.0
181.08575	2.2
183.10170	4.6
203.10736	1.9
209.11687	1.0
211.07515	0.8
221.11743	2.2
229.04880	1.5
229.08482	1.5
257.04529	2.6
257.08008	1.8
257.26785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1897
Annotation	Montiporyne F
Peak:m/z	Relative Intensity
55.01863	1.0
55.05500	4.5
56.96548	1.3
57.07073	3.1
57.07308	0.6
59.04992	1.0
61.63634	0.7
65.03932	0.6
67.05503	6.6
67.72521	0.6
69.03452	0.8
69.07068	7.3
70.06577	0.9
71.04988	5.3
72.08129	1.8
79.05487	6.6
81.07053	6.0
82.22619	0.6
83.04972	2.6
83.08617	3.4
85.06530	3.9
88.07621	1.8
90.09170	2.6
91.05467	8.6
93.07034	13.3
95.04949	4.4
95.08595	11.7
97.06503	2.0
97.10181	0.7
98.20727	1.7
98.97578	3.3
99.08068	1.4
103.05426	1.5
105.07027	24.4
105.17902	0.7
107.08592	13.9
109.06515	7.4
109.10140	10.9
111.08070	2.1
115.05412	1.5
116.98634	3.5
117.07018	5.4
117.27489	0.6
119.08575	21.3
121.06495	0.9
121.10135	54.1
123.08039	4.6
123.11690	2.4
128.06200	3.3
129.06987	6.1
130.07761	1.3
131.08556	14.2
133.07597	0.9
133.10126	11.6
134.99632	3.1
135.08043	11.5
135.11690	4.3
137.09604	5.5
139.13452	0.7
141.06967	2.1
142.07771	7.5
143.08549	18.1
144.09302	2.9
145.06464	1.1
145.10117	20.3
147.08044	0.8
147.11699	3.5
149.09602	4.9
151.11174	2.6
153.06999	1.5
154.07748	1.1
155.08499	5.5
156.09360	5.4
157.10117	25.3
158.10915	6.3
159.08127	1.7
159.11678	26.6
161.09622	2.7
161.13231	2.7
163.11140	5.6
167.08551	1.5
168.09314	2.8
169.10106	10.9
170.10863	1.8
171.08017	0.7
171.11662	16.0
172.12383	0.8
173.09615	3.6
173.13243	29.1
174.13986	3.2
175.11185	2.6
175.14833	3.5
177.12750	1.2
181.10106	1.3
182.10905	2.0
183.11668	12.3
184.12433	4.6
185.13235	3.4
186.50140	0.8
187.11176	6.7
187.14809	5.1
188.11925	0.9
189.12733	2.9
195.11671	2.1
196.12447	1.5
197.13246	9.2
198.13928	1.3
199.11057	1.0
199.14819	32.5
200.15327	0.9
201.12701	8.2
209.13235	1.8
210.14038	2.0
211.14806	2.0
213.16373	12.4
214.17090	3.8
215.14374	4.7
215.17953	8.7
224.15607	2.4
239.17940	14.6
257.18991	100.0
257.26547	7.9
258.19388	3.7
258.27905	12.4
274.97595	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
55.01860	2.2
57.03435	5.1
60.34064	0.6
62.22869	0.7
71.11221	1.2
71.11553	0.7
74.70004	0.5
75.04466	2.7
79.05499	4.4
81.07043	0.6
91.05475	1.6
91.39886	0.6
95.04977	1.3
100.72107	0.5
103.05471	2.6
105.07029	32.5
106.07420	0.8
107.04974	2.9
115.05447	0.7
119.66362	0.7
121.06490	0.7
122.03648	3.8
123.04411	0.9
133.06490	50.0
137.05971	100.0
138.06374	0.9
151.07495	0.7
163.07545	4.4
165.09109	26.4
175.07539	2.8
177.09091	1.1
181.08575	1.7
183.10226	4.1
197.16603	1.0
203.10661	1.0
209.11720	1.1
221.11748	2.5
229.05168	0.7
239.12808	0.6
257.04434	1.0
257.18756	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	257.0808
Annotation	Pinocembrin chalcone
Peak:m/z	Relative Intensity
55.05489	0.7
56.96561	1.1
67.01863	6.5
67.05499	1.4
68.99792	3.5
69.03425	2.0
69.07074	1.3
71.59599	0.6
79.05490	3.7
80.38273	0.4
81.03406	0.7
81.07052	1.4
83.01343	1.0
83.08640	0.5
89.74925	0.4
91.05473	2.6
95.04954	0.7
95.08600	1.4
97.02876	1.2
97.10141	0.6
98.97608	1.0
103.05464	22.8
105.03384	1.8
105.07004	0.9
107.04959	4.4
109.10155	1.0
111.00832	0.8
116.98611	1.7
117.07018	0.5
119.08552	0.5
123.04417	1.4
123.11691	0.4
125.02309	0.9
129.01855	1.1
131.04922	41.0
131.08504	0.6
132.05231	0.6
133.10152	0.7
134.99646	1.9
135.04373	0.7
145.06458	0.5
145.10052	0.7
151.03929	2.3
153.01822	100.0
154.02197	0.7
159.11572	0.4
163.03931	2.3
169.06516	0.7
171.02884	25.9
173.05945	2.8
176.57141	0.4
177.00731	0.5
179.03384	1.5
191.06938	0.8
195.67351	0.4
197.05910	0.4
211.07639	0.6
215.07004	1.5
219.50571	0.4
229.08626	2.8
239.07028	0.9
257.08081	92.7
257.18820	1.1
257.26749	0.6
258.08420	2.2
274.97498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1169
Annotation	3,4'-Dimethoxy-5-hydroxystilbene
Peak:m/z	Relative Intensity
50.31843	0.8
53.03933	0.9
55.01867	1.3
55.05507	1.4
56.96549	3.4
57.07062	1.7
67.05502	2.0
69.07051	1.5
71.05002	0.9
71.08620	0.9
71.82484	0.9
79.05474	4.7
79.87780	0.7
79.88280	0.7
80.15626	0.8
80.25648	0.7
81.07038	2.7
83.04979	0.9
85.06564	1.2
88.07623	1.0
91.04961	1.2
91.05476	16.0
93.03983	0.7
93.07020	1.9
95.04949	3.3
95.08579	2.4
98.97579	3.9
103.05457	5.2
105.07024	23.4
106.71578	0.9
107.04945	12.6
107.08543	1.6
107.58148	0.8
109.06504	2.4
109.10168	1.8
111.04453	6.9
113.06005	1.3
115.05411	0.9
116.98620	5.5
117.07040	1.8
119.04926	11.3
119.08582	3.1
120.05714	1.2
121.02835	2.7
121.06490	9.9
121.10133	3.1
124.05161	1.1
125.05952	0.8
128.06187	0.9
129.07008	1.9
131.04916	1.2
131.08534	3.6
133.06482	27.5
133.10023	1.3
134.99632	6.9
135.04375	2.6
135.08060	6.3
137.05972	9.3
138.06694	1.9
139.07520	1.4
141.06975	1.6
143.08533	2.8
145.06482	6.7
145.10120	6.8
147.11586	0.8
148.05167	1.7
149.05963	6.3
151.07509	3.3
153.00597	1.5
153.06995	1.4
154.07753	1.7
155.08490	1.2
157.06468	2.7
157.10086	3.7
159.08028	3.2
159.11639	4.5
161.09648	0.9
163.07535	3.0
164.08310	1.9
165.06989	5.0
166.07782	0.9
167.08463	1.2
169.10109	2.3
171.08098	2.1
171.11722	2.2
173.13229	4.6
177.07086	1.2
178.07785	1.0
179.08565	2.9
181.06464	7.2
182.07239	5.8
183.07980	3.3
183.11687	2.0
185.13245	0.9
187.11079	0.9
192.05678	0.9
193.06535	0.8
194.07277	2.3
195.08087	1.5
197.06110	1.1
197.09613	5.5
197.13232	1.1
199.07564	5.3
199.14853	3.8
201.12738	1.5
209.06020	1.1
209.09590	0.9
210.06767	6.4
211.07504	7.2
213.09099	1.0
213.16260	0.9
215.17877	1.0
224.08203	1.7
225.09094	9.4
226.09851	6.7
227.07037	3.7
229.12222	1.5
239.17923	2.2
241.08543	1.7
242.09377	13.0
242.31146	0.7
256.26398	2.6
256.30075	2.0
256.96497	0.9
257.11703	100.0
257.18982	15.1
257.26709	4.9
257.30444	1.6
258.11703	1.1
274.97482	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	257.0806
Annotation	2',3,4-Trihydroxychalcone
Peak:m/z	Relative Intensity
53.03943	1.1
53.53888	0.4
55.05507	0.9
56.96548	1.6
57.03436	0.7
59.82809	0.4
60.31170	0.4
61.02926	0.5
65.03917	0.5
67.05488	1.2
68.99783	1.7
69.03413	1.8
69.07067	0.7
71.04993	0.7
71.59646	0.8
71.77864	0.4
73.02903	0.4
79.05493	4.8
81.03410	0.7
81.07047	1.9
83.01331	1.6
83.08607	0.6
84.96030	0.6
85.02893	0.9
85.06508	0.4
86.79140	0.4
91.05466	1.4
93.07036	1.2
95.04931	2.4
95.08579	1.2
97.02879	1.4
98.97564	1.6
105.07026	0.6
107.04952	14.5
107.08600	0.7
109.06510	0.4
109.10137	1.4
111.04439	0.5
111.08089	0.7
115.05457	0.7
116.98614	1.3
117.06979	0.6
119.04925	1.4
119.08588	0.8
121.02856	2.3
121.06515	0.6
123.04427	0.8
129.07010	0.8
131.04947	1.0
131.08578	0.6
133.06517	0.7
134.99673	1.1
135.04410	18.7
135.47467	0.4
137.06001	0.5
144.05702	1.5
145.06476	1.6
145.10112	0.6
147.04416	4.0
149.01225	0.6
152.06242	0.4
153.07008	1.0
155.08525	2.1
158.07307	0.8
158.99684	0.5
159.08055	1.0
161.05928	0.8
161.09637	1.0
163.03900	81.1
164.04257	1.3
165.06998	2.3
168.05647	2.3
173.05991	0.8
173.09610	1.0
177.00648	0.5
181.04962	1.4
181.06473	0.8
182.07187	0.6
183.08041	5.5
184.05125	0.5
186.06830	1.2
187.07584	1.0
197.06020	1.9
197.09624	0.5
199.07486	0.9
201.05489	0.8
201.09137	1.8
211.07542	7.3
213.05461	1.5
214.06235	3.3
219.01741	0.7
227.06805	0.5
229.08586	100.0
230.08960	1.4
239.07005	0.7
241.00212	1.2
242.05736	1.6
245.71548	0.4
245.74207	0.5
257.04553	3.5
257.08084	51.1
257.26761	0.8
258.08469	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.6
55.05501	2.5
56.05023	1.7
56.96552	6.7
57.07058	2.7
58.06592	6.9
67.05518	2.5
71.04995	2.1
71.08595	1.9
71.59257	2.2
72.08150	3.5
79.01855	2.6
79.05495	3.8
80.05019	1.8
81.07035	4.5
83.08588	1.8
85.02906	6.0
86.03223	1.8
88.03999	2.8
88.07662	3.0
91.05483	5.4
93.07038	2.5
94.06574	4.9
95.04961	4.4
96.04502	3.9
97.02908	2.1
98.97569	4.5
100.05997	1.7
102.09173	2.9
105.03384	7.1
105.07044	2.0
107.04974	2.8
108.02097	4.5
108.08125	4.7
109.06512	7.2
110.06048	8.5
116.98623	5.0
117.04379	1.5
117.05798	1.7
118.06540	5.1
119.04948	3.9
120.08089	1.6
121.05248	7.7
122.06010	8.7
124.07610	2.1
126.05653	2.2
126.06640	9.1
128.98570	2.0
130.06500	4.3
132.04442	16.9
134.99666	3.0
136.07565	50.5
137.05977	8.3
138.06509	1.6
140.07076	7.6
146.04509	2.7
146.06015	5.2
146.99580	1.8
147.04396	2.4
147.06796	11.2
148.03937	7.6
148.07545	2.8
149.04709	17.7
150.05499	1.9
152.07051	1.9
153.01830	16.6
154.02171	4.0
154.08614	4.4
157.07637	6.6
162.05511	15.1
163.06291	14.4
164.07053	47.6
166.08694	2.3
168.10147	2.0
177.00807	2.5
178.08627	68.6
179.06973	2.4
181.04984	3.5
196.09686	100.0
197.10056	1.7
204.06459	2.1
214.10751	5.5
219.01805	2.9
232.99586	1.8
237.02843	4.8
244.30565	2.0
256.11813	93.5
256.26355	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1177
Annotation	N-D-Glucosylarylamine
Peak:m/z	Relative Intensity
55.05482	1.6
56.96573	1.5
57.03431	1.4
57.07058	1.1
58.06576	1.7
61.90816	1.1
62.71699	0.9
71.11397	2.6
79.05480	2.6
80.05016	0.9
81.07040	1.3
85.02906	1.3
86.88724	1.2
91.05464	4.2
91.86588	1.1
93.05801	1.7
94.06561	4.2
95.04980	2.1
96.08204	1.3
104.04980	2.5
105.03371	5.2
105.07040	5.2
107.04953	1.8
108.02090	1.7
108.08117	3.7
109.06485	4.0
110.06056	6.2
110.06670	1.1
118.06535	4.4
120.04451	1.8
120.08113	2.1
121.05230	6.8
122.06033	10.3
126.05489	1.7
126.06574	1.3
131.03572	1.0
132.04449	12.8
133.06485	5.2
134.06050	1.8
135.06790	2.8
136.07568	47.1
136.54008	1.1
137.05986	17.6
138.05519	1.3
140.07030	5.8
146.05956	5.2
147.06808	10.1
148.03918	5.3
148.07507	2.3
149.04733	12.6
150.05461	2.0
152.07065	1.6
153.07867	1.3
154.08633	3.5
162.05478	12.1
163.06297	13.8
164.07057	40.7
165.07860	2.1
165.09137	3.2
178.08627	64.9
179.06949	1.4
196.09683	100.0
197.09889	1.2
203.03259	1.3
214.10764	5.5
220.17007	2.0
234.81508	1.0
238.18143	2.8
256.11795	80.2
256.19067	9.5
256.26334	7.1
273.29825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	6.0
56.96546	13.6
57.03434	14.8
57.07061	4.4
58.99858	7.3
59.04987	3.6
61.02936	14.4
69.03420	8.2
71.01353	3.4
71.04990	5.1
71.58694	3.8
72.08153	3.6
73.02900	10.2
75.17155	2.7
76.04015	2.6
76.86349	2.3
77.00915	6.4
81.03369	2.7
82.01454	3.3
85.02901	19.2
87.04488	5.7
87.27579	2.6
88.07607	4.2
97.02878	7.2
98.97606	3.0
100.02483	27.5
101.00887	3.7
101.02376	9.5
103.02444	5.5
107.04967	18.2
113.02329	5.3
114.05513	2.9
115.02421	32.5
115.03897	13.7
117.03179	3.8
117.03978	33.2
118.03485	16.6
119.01916	38.0
120.02002	5.0
121.03480	4.1
124.03945	89.7
127.03928	4.1
129.01842	14.9
131.01888	10.6
133.03447	38.4
133.04961	6.2
134.99634	3.6
135.05034	40.2
137.02911	19.9
138.03979	3.5
140.05547	13.7
143.01869	14.5
143.03435	4.7
144.99823	8.5
145.03458	24.2
145.99966	7.7
146.99626	4.2
147.01376	5.3
155.08156	5.2
157.01309	9.8
157.03554	3.7
158.06606	15.3
161.02962	20.3
161.04442	12.3
162.99164	2.9
163.04507	16.2
164.00922	4.2
164.08200	3.1
167.03326	2.9
168.05054	10.7
171.01353	16.3
171.02727	6.3
173.01184	3.0
173.02904	3.4
177.02460	2.7
178.41365	2.6
179.04025	2.7
184.04553	33.2
186.06198	3.2
187.00816	5.7
189.02409	28.8
189.03975	24.6
191.02173	2.9
194.02983	4.7
196.07153	7.3
203.05479	9.9
205.01952	5.5
207.03468	17.9
210.02502	14.4
210.08870	3.8
212.04063	19.8
214.02243	3.8
215.00343	7.5
221.06709	3.3
226.01906	3.3
228.03506	2.6
230.05107	9.3
231.07243	2.7
232.99426	2.9
233.01460	29.6
238.01961	4.4
251.02486	100.0
252.02733	4.2
256.02982	66.1
256.09167	8.0
256.26334	33.5
257.06244	3.8
274.04056	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.3
56.96553	22.3
57.03425	34.8
57.07044	5.6
59.04996	9.3
60.01870	4.5
61.02922	7.6
69.03432	5.5
69.48730	24.0
69.49156	26.2
71.01377	6.6
72.08152	76.1
73.02918	15.9
75.04465	5.4
85.02921	14.2
87.04475	17.0
89.02368	12.3
91.05494	5.3
98.97569	8.2
101.02373	27.8
106.40305	5.7
107.04951	39.9
115.03944	50.4
116.98554	5.2
119.04961	12.0
119.44516	5.4
124.03920	43.4
127.03863	6.0
129.01816	46.9
133.05003	5.8
143.03351	20.6
146.99696	6.1
147.01413	6.6
147.04413	19.7
157.01343	30.6
161.04456	41.1
167.03381	16.6
171.02888	16.7
173.04550	9.9
175.02464	6.1
189.02406	5.0
189.03935	100.0
195.62128	5.7
199.20569	5.3
203.05534	24.7
211.06042	16.6
221.06560	7.7
228.13385	6.0
251.02498	12.8
256.11691	12.4
256.26404	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1742
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
55.05502	5.9
56.96564	5.1
57.03427	2.5
57.07059	3.9
58.06579	1.9
62.63089	1.8
67.05499	11.8
69.07054	9.8
71.04971	2.7
71.59466	3.7
79.05487	8.7
81.07044	11.9
83.04991	2.2
83.08608	3.9
85.02921	2.2
85.06522	3.2
91.05468	11.4
93.07043	22.5
95.04958	3.9
95.08607	10.6
97.06510	8.4
97.10155	2.1
98.98450	14.7
99.08076	2.1
105.07028	16.1
107.08596	11.1
109.06532	9.5
109.10162	5.3
111.08089	2.1
111.15329	1.9
117.07024	5.4
119.08571	16.4
121.10134	9.2
128.06238	4.5
129.07013	2.4
131.08585	5.3
133.06473	8.2
133.10101	10.1
133.11685	1.9
135.08055	10.4
135.11714	4.8
137.13348	2.7
141.06995	6.4
142.07791	4.1
143.08557	14.2
145.10115	5.5
149.13229	2.3
153.06989	2.7
154.07698	3.1
155.08540	11.2
156.09332	8.9
157.10143	16.4
159.11696	5.1
163.11243	2.2
165.06989	4.5
167.08577	5.7
168.09312	2.9
169.10130	23.5
170.10918	6.6
171.11668	14.3
180.09267	2.9
181.06506	2.1
181.10120	6.6
182.10898	16.2
183.11649	10.4
185.13258	8.8
193.10255	4.1
194.11040	2.2
195.11627	12.2
196.12473	7.1
197.13240	71.3
199.07712	2.3
199.11147	9.8
207.11688	8.0
211.14778	32.1
212.15617	9.4
213.12856	5.8
213.16350	31.7
222.14038	6.8
223.07399	2.4
227.07039	3.1
237.16309	14.6
237.18410	2.2
240.15039	2.4
255.06583	6.0
255.10199	2.8
255.17448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73354	2.3
53.03939	2.5
55.01863	2.9
55.05509	28.9
57.03436	52.4
57.07068	6.7
65.03931	3.0
67.05505	80.4
69.07068	25.0
71.01353	6.9
71.04984	7.1
71.08612	3.4
71.60513	3.2
71.65678	2.1
79.05491	71.9
81.03427	7.5
81.07061	44.9
82.14413	2.0
83.04977	18.4
83.08632	7.0
85.06539	8.8
91.05481	26.3
93.07044	75.8
93.07630	5.0
94.09090	2.2
95.04967	12.0
95.08607	17.0
97.06534	17.3
97.10178	20.7
98.98466	15.5
99.04440	2.4
99.08086	4.2
105.04439	2.2
105.07030	7.1
107.05014	3.3
107.08588	53.6
109.00595	2.1
109.10157	13.1
111.08083	6.4
111.60495	2.3
117.07037	5.6
119.08597	11.1
121.10144	13.7
125.09647	3.1
131.08572	2.1
133.10147	6.7
135.11690	100.0
137.09639	3.8
143.08604	2.6
145.10104	12.2
163.11206	15.1
181.12245	16.0
255.06554	4.5
255.15720	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.9
55.01855	5.1
55.05264	3.0
55.05508	36.9
56.96565	3.1
57.03431	50.9
57.07064	6.6
62.44483	2.7
67.05499	80.6
69.07064	31.7
69.95742	3.1
71.04970	9.7
71.08604	3.4
71.59589	3.7
79.05486	79.3
81.03400	8.7
81.07040	47.7
83.04964	24.9
83.08618	15.5
85.06547	7.0
86.29929	3.4
91.05463	37.1
93.07037	90.3
95.04969	14.0
95.08599	23.2
97.06519	25.3
97.10160	17.6
98.98444	19.1
99.08082	5.2
105.07014	12.0
107.04923	3.5
107.08582	54.0
108.81227	3.2
109.10157	11.3
111.08063	4.6
117.07007	4.6
119.08548	13.4
121.10141	17.0
125.09589	5.2
133.10068	5.9
135.11685	100.0
135.12701	5.8
137.09583	5.7
145.10091	21.6
153.12727	5.5
157.10120	4.9
163.11165	16.1
181.12218	15.9
227.06998	3.9
255.06424	5.0
255.10095	4.2
255.15816	51.8
255.18152	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	3.6
57.03423	0.9
58.06588	4.7
60.08161	86.7
65.03938	5.3
67.05452	1.4
70.09298	0.9
71.21968	1.7
72.08151	0.9
79.05495	2.0
81.03388	1.3
81.07014	1.8
83.06095	0.9
85.02889	1.5
89.03886	1.1
91.05471	10.4
93.03397	10.0
95.04937	3.2
98.98470	6.0
107.04958	6.8
108.05267	1.1
109.02829	1.2
110.03622	2.6
110.07159	2.0
111.04436	37.7
111.05196	2.0
114.39149	0.9
116.98600	0.9
117.03301	1.1
119.04952	6.1
121.06453	3.4
123.04431	1.4
123.10445	1.1
125.05990	48.1
133.02829	1.3
134.03577	2.7
135.04414	2.3
137.05904	1.9
146.91513	0.8
147.04382	1.3
149.05975	91.3
151.03842	1.1
151.07460	1.6
153.05461	100.0
161.04704	1.0
162.05487	1.7
163.03903	1.7
177.05415	5.4
190.04980	2.1
195.06520	75.1
208.14439	1.6
232.89516	0.9
254.13846	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1588
Annotation	Russulanorol
Peak:m/z	Relative Intensity
51.69783	1.9
53.03932	4.1
55.01869	6.8
55.05508	33.2
57.03148	2.3
57.03432	46.2
57.07068	7.4
63.26162	1.9
65.03914	3.1
67.05499	85.7
69.03414	2.2
69.07065	27.2
71.01344	8.5
71.04985	9.1
73.19612	1.8
79.05488	84.8
79.54237	1.9
81.03407	12.2
81.07051	47.9
83.04980	20.9
83.08609	10.4
85.06532	6.4
91.05466	29.4
93.07038	92.1
95.04964	10.4
95.08591	21.8
97.06532	23.4
97.10152	19.6
98.20679	3.7
98.98445	12.8
99.08100	4.6
105.07030	5.7
107.04952	2.5
107.08580	49.2
109.10166	13.4
111.08063	5.2
111.11686	2.0
117.07020	7.6
119.08569	10.4
121.06525	4.0
121.10106	13.5
125.09634	5.8
133.10132	7.6
134.99643	2.0
135.08014	2.1
135.11681	100.0
137.09601	4.3
143.08536	2.2
145.10101	19.5
153.12758	5.8
163.11208	9.5
171.11734	2.5
179.01605	2.3
181.12245	15.6
193.05035	2.5
229.49028	2.2
240.91624	1.9
255.06520	4.9
255.10359	3.1
255.15825	63.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	4.4
54.72237	3.2
55.01855	7.1
56.96555	33.4
57.03424	3.6
58.06593	9.2
58.17600	3.1
58.75973	3.1
61.02932	9.8
63.08652	3.3
69.03423	6.1
69.57369	3.6
71.01350	40.9
71.58279	5.4
75.04471	9.7
76.07611	4.2
79.05508	4.0
81.03410	5.7
81.07027	6.1
83.06108	5.9
84.96006	3.7
85.02895	7.8
87.04467	4.1
93.04531	7.4
95.06077	10.8
97.02866	5.9
98.97575	6.6
98.98464	14.3
101.02326	6.3
103.03937	21.0
107.04942	9.6
108.04762	3.6
110.07153	31.1
116.98625	4.1
117.01838	5.4
119.03407	3.8
123.04398	6.7
128.98538	4.2
129.01894	5.5
130.15424	3.7
131.03400	38.0
141.01814	3.1
143.03423	4.5
145.04915	8.3
149.04387	3.7
157.04950	20.8
159.02885	100.0
163.05975	8.0
163.12289	19.9
165.72641	3.6
172.95244	6.9
177.00797	3.9
188.92519	3.5
190.13432	6.9
190.96478	6.5
190.98552	5.8
191.05515	16.5
193.00249	11.8
200.10417	4.2
208.14458	23.1
219.04993	51.9
237.05933	7.9
245.86005	3.4
248.99193	14.8
254.14938	38.6
267.00372	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	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	4.8
57.54618	2.5
61.02919	7.3
62.68507	2.6
70.98986	6.1
70.99300	4.4
71.01357	9.8
75.04472	22.1
84.67001	2.7
87.04462	5.5
89.02403	3.6
98.98451	3.5
103.03937	24.4
123.61840	2.9
131.03413	6.6
137.41537	2.7
145.98613	2.8
155.99796	3.9
159.02879	57.9
159.04102	5.9
187.02380	7.9
214.03102	3.0
219.04985	100.0
253.65089	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	253.1798
Annotation	Cryptomerone
Peak:m/z	Relative Intensity
52.85575	2.3
55.01867	3.0
55.05515	12.9
55.05734	3.4
56.96552	4.7
57.03416	3.6
57.07053	13.2
66.36533	2.5
67.05509	26.5
69.03414	4.1
69.07068	19.5
69.54063	9.5
69.54492	11.7
71.04987	10.3
71.08615	3.2
77.92979	2.7
79.05484	17.4
80.58035	2.5
81.03426	3.5
81.07054	51.7
82.90851	2.3
83.04971	5.6
83.08616	12.3
85.02903	2.6
91.05486	19.5
93.07042	28.4
95.04963	9.6
95.08605	40.7
97.02875	4.3
97.06514	5.4
97.10187	4.4
97.61067	2.2
98.21511	2.7
98.98463	100.0
105.07028	31.2
107.08582	27.1
109.06503	8.7
109.10139	22.2
111.08098	3.4
116.99493	4.4
117.07054	3.7
119.08583	28.2
121.06486	7.7
121.10126	14.2
123.08055	4.6
123.11685	19.5
125.09617	3.3
129.07024	3.6
131.08546	11.7
133.06529	8.6
133.10126	25.7
135.08078	16.7
135.11644	16.7
137.05974	4.7
137.09612	5.1
137.13251	4.5
139.03923	5.9
141.05400	4.2
142.07733	2.8
143.08572	7.3
145.10106	6.0
146.07234	4.2
147.08084	10.1
147.11699	16.1
149.09575	8.3
151.11125	4.0
157.10114	5.4
159.11699	20.3
161.09615	34.1
161.13277	7.1
163.11221	5.6
165.06964	4.2
165.09084	2.9
173.13287	5.1
175.11165	5.0
175.14842	30.0
177.12665	2.8
179.10677	6.8
189.16397	17.5
197.09770	2.5
197.11722	9.8
199.14769	11.7
217.15863	32.9
217.19406	3.7
225.08885	3.4
235.16884	28.0
235.20520	5.1
244.09540	4.5
253.08577	10.2
253.18004	5.6
253.21616	6.7
273.95102	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	253.1798
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
55.05507	14.2
56.96571	5.3
57.07063	6.1
59.04979	5.2
67.05500	63.0
67.72253	4.1
68.55441	3.9
69.03426	8.0
69.07062	20.5
71.04992	47.4
71.60651	4.4
73.06558	3.9
79.05487	20.5
81.07056	55.6
83.04977	6.7
83.08607	12.0
85.06551	6.1
89.05982	4.4
91.05489	26.3
93.07026	34.8
95.04971	46.8
95.08595	39.9
97.10151	3.6
98.98457	100.0
99.04459	4.2
105.07010	37.9
107.08594	55.7
109.06531	6.2
109.10144	90.9
111.08064	8.3
113.06007	9.3
116.99492	8.6
119.08593	35.8
121.06531	6.6
121.10142	41.7
123.08053	4.5
123.11706	10.8
125.09635	22.9
127.11176	9.1
131.08583	8.8
133.10138	22.2
135.08076	7.1
135.11681	28.0
137.05951	5.2
137.09619	7.0
145.10149	20.8
147.08038	4.1
147.11668	49.3
149.09601	7.1
149.13246	7.2
151.60793	4.0
153.12720	21.5
157.10118	5.8
159.11758	11.2
161.05997	4.8
161.09589	6.5
163.14784	4.4
165.06990	4.6
165.12817	8.0
173.13278	4.1
174.66487	3.9
175.11188	4.4
175.14903	9.5
186.45708	3.8
189.16388	21.9
191.18050	8.1
193.15834	12.3
197.11763	4.0
199.14868	5.5
207.10072	3.9
207.17474	9.3
211.13513	4.1
217.15860	18.5
217.19667	5.7
235.16910	39.0
253.08562	14.6
253.14388	6.1
253.17911	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	253.1432
Annotation	12-Noralliacolide
Peak:m/z	Relative Intensity
55.01866	11.0
55.05497	9.3
57.03427	4.2
57.07066	3.7
67.05503	39.1
69.03419	3.5
69.07049	7.5
70.22319	2.2
71.04984	4.5
71.60072	2.8
71.60458	2.6
79.05486	17.0
81.03419	6.0
81.07055	32.3
83.04970	7.2
83.08568	2.3
85.06538	4.2
91.04967	3.4
91.05479	37.8
93.07046	10.5
95.04956	6.4
95.08591	7.3
97.02875	2.6
97.06524	2.3
98.98451	31.1
99.04436	2.2
105.07021	30.0
107.08582	24.0
109.06476	3.7
109.10140	45.9
113.06030	3.3
120.67976	1.9
123.11677	9.0
133.10121	46.3
143.70467	2.1
151.11189	27.2
161.09657	2.7
169.12184	4.7
197.11731	3.8
253.14323	100.0
260.93839	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	252.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81992	0.5
57.05806	1.0
68.41750	0.5
70.06595	3.5
70.65465	0.7
70.65823	1.5
72.08148	100.0
73.08472	0.8
75.58134	0.5
79.05495	1.0
89.03909	5.2
90.09186	42.9
91.05476	1.9
98.98457	1.6
107.04940	1.8
117.03368	6.8
127.14446	0.6
135.04399	19.3
145.01741	1.1
145.02831	14.6
145.03981	0.8
152.32394	0.6
163.03886	89.6
207.06509	22.1
252.12303	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	252.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03900	0.4
56.05045	0.4
58.06597	16.2
60.13213	0.3
61.70910	0.3
70.34135	1.4
74.02427	1.1
76.07632	1.2
88.03970	2.5
89.03903	4.7
91.05472	5.2
95.07139	0.4
98.21495	0.4
103.05444	0.4
116.03423	0.8
117.03370	21.4
131.75885	0.4
134.03580	1.0
134.04478	2.7
135.04382	1.0
142.77972	0.4
145.02831	54.7
146.03181	1.1
149.05971	7.0
163.03885	0.6
177.05455	100.0
178.05815	1.1
221.08113	4.3
249.23854	0.4
252.12328	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0865
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
58.06599	15.6
65.03923	0.7
70.02936	1.2
70.14093	0.9
70.14506	1.9
72.08175	0.7
74.02441	16.6
76.07625	1.5
84.97359	0.5
88.03990	33.7
89.03920	4.8
91.05477	67.9
94.18893	0.6
98.21479	1.0
98.98458	1.7
116.02659	0.8
116.03445	10.8
117.03372	19.7
134.04483	43.0
135.04420	1.5
136.06169	0.9
136.07576	0.9
145.02843	50.3
146.03183	0.7
149.05998	5.8
158.06023	0.6
163.03896	1.3
177.05463	100.0
178.05852	0.7
186.05534	0.6
206.08113	1.5
206.38861	0.6
221.08043	4.4
234.07571	3.0
252.08693	1.0
252.12268	2.0
269.12180	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0867
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
56.05032	0.6
56.96562	0.8
58.06599	17.1
61.40186	0.4
62.91136	0.4
62.93603	0.4
63.30648	0.4
67.05508	0.6
67.90145	0.4
69.45695	3.9
70.02936	0.6
72.08165	0.6
76.07636	1.3
79.05531	0.6
79.30075	0.4
81.07092	0.5
87.00821	2.8
89.03914	1.3
91.05484	2.3
93.07031	2.1
97.02892	0.4
98.97576	0.7
98.98466	3.2
103.05462	8.5
106.04167	0.4
107.04951	0.6
108.53745	0.4
116.98572	0.5
117.03416	2.0
118.06535	10.4
120.08099	100.0
121.06493	1.9
121.08451	0.8
125.00904	0.4
128.04965	1.3
130.06544	0.4
131.04904	0.9
134.03624	3.0
134.04533	0.6
135.04393	0.5
145.02847	3.4
146.06006	19.8
148.07375	0.4
149.05957	3.3
153.01805	3.0
161.05948	0.6
163.03873	3.3
166.08621	2.0
177.05464	30.9
178.12193	0.5
188.07051	18.2
192.06529	1.7
205.98785	0.6
206.08116	60.7
207.08508	0.5
221.08037	5.0
234.07550	1.2
252.08783	0.7
252.12296	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	252.02
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12660	0.3
54.32918	0.3
54.69204	0.3
56.96563	0.9
62.21744	0.3
62.62898	0.3
66.92452	0.3
69.59815	1.6
69.60233	0.7
77.00884	0.3
81.03419	0.4
81.70596	0.3
82.99872	0.3
94.93008	0.3
98.97576	1.6
98.98469	1.1
101.00863	0.4
116.27914	0.3
116.98605	2.6
119.01911	7.0
129.41542	0.4
134.99681	4.8
137.02950	3.1
140.98856	0.7
142.03448	0.6
153.00854	2.6
158.99850	2.9
161.01506	0.4
162.99326	0.3
176.02521	0.4
177.00945	69.4
178.01041	2.4
185.01459	0.6
187.02826	0.4
195.02010	2.0
199.99792	0.3
200.02589	1.5
201.00946	0.8
203.02507	23.8
204.02620	0.7
205.00389	1.4
206.00626	0.3
210.99298	1.6
219.02003	11.6
220.02191	0.6
225.10941	0.3
226.04088	0.4
229.00409	5.8
229.09250	0.6
247.01482	100.0
248.01614	2.7
249.99344	0.9
250.01933	0.3
255.51299	0.4
256.96826	0.5
261.00171	0.4
261.03003	1.3
270.02975	3.4
271.03571	0.5
272.94330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	roughanic acid
Peak:m/z	Relative Intensity
51.02374	1.3
53.03935	5.3
55.01863	2.6
55.05507	32.7
57.03419	2.4
57.07063	2.7
65.03923	3.2
67.05501	84.7
69.07066	34.7
69.36526	1.2
70.52648	3.6
71.04973	4.0
78.02295	1.1
79.05489	85.1
80.05806	1.1
81.07052	86.3
83.04981	12.4
83.08614	24.1
85.06516	3.3
91.05473	44.8
93.07037	100.0
95.04964	8.7
95.08600	76.3
97.06526	97.3
97.10149	7.6
98.98464	8.0
99.08070	2.7
105.07024	22.6
107.04962	1.4
107.08588	54.2
109.06516	8.8
109.09450	2.3
109.10153	34.0
111.08083	21.0
113.09629	1.2
113.72882	1.1
115.05374	1.6
117.07000	8.1
119.08575	20.3
121.06500	10.4
121.10135	57.0
122.12503	1.3
123.08085	9.7
123.11692	10.0
125.09619	4.9
131.08571	15.4
133.10127	41.9
135.08054	11.5
135.11679	35.9
137.09619	10.2
137.13272	6.4
139.07501	3.9
139.11159	2.6
145.10107	14.3
147.11655	11.3
149.09612	8.4
149.13229	14.3
151.11160	8.5
153.09090	5.1
159.11668	9.5
161.13213	2.0
163.11205	3.6
167.10674	2.1
173.13231	7.0
181.12254	2.6
187.14821	5.6
191.17921	9.5
195.13773	2.5
196.20325	1.1
205.19588	1.7
213.16293	1.6
215.17935	28.7
221.19032	2.1
233.18973	20.2
251.20052	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2004
Annotation	roughanic acid
Peak:m/z	Relative Intensity
50.51231	1.4
52.50901	1.5
53.03933	5.4
53.38288	1.5
55.01856	5.0
55.05257	2.8
55.05508	33.6
56.96554	1.6
57.03426	3.7
57.07060	5.4
65.03935	3.7
67.05498	89.4
69.03430	2.4
69.07063	38.3
69.42231	5.2
69.42657	9.7
71.04989	15.9
71.08620	2.1
71.76101	1.5
79.05486	74.4
81.07052	98.2
83.04977	15.2
83.08615	23.2
85.06528	6.2
91.05466	41.9
92.36079	1.4
93.07037	100.0
95.04961	13.4
95.08599	81.0
95.09227	1.9
97.06523	93.7
97.10148	5.7
98.20763	3.6
98.98458	63.8
99.08086	4.9
105.07021	26.2
107.08587	52.2
109.06485	8.8
109.10139	31.4
111.08079	20.5
113.05957	2.1
117.07014	7.7
119.07786	2.0
119.08582	24.9
121.05927	1.2
121.06525	13.6
121.10135	54.6
123.08076	11.1
123.11680	9.8
123.38051	1.8
125.05999	5.4
125.09632	3.1
129.06921	2.0
131.08565	17.3
133.10126	36.1
135.08070	13.8
135.11691	31.9
137.09596	10.7
137.13235	6.3
139.07559	3.6
139.11176	2.9
139.31032	1.5
145.10106	12.2
147.11691	11.2
149.09618	8.1
149.13229	15.1
151.07504	2.5
151.11148	6.4
153.09102	6.7
153.12718	1.8
159.11655	12.1
161.13177	2.2
163.11156	13.9
167.10645	2.5
169.07109	1.8
173.13289	10.3
177.12733	2.5
181.12212	5.1
187.08084	4.4
187.14784	4.0
191.17924	9.7
193.83113	1.5
204.35872	1.8
215.17929	27.4
220.27235	1.6
232.09578	1.6
233.15382	2.3
233.18990	21.4
251.10968	4.7
251.16345	11.9
251.20052	98.8
252.20398	2.0
269.12381	22.5
270.12537	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	250.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46684	1.5
56.91475	1.4
56.96560	8.2
59.00957	1.4
69.07075	1.8
70.06596	2.0
70.84525	3.2
70.84884	2.9
72.08149	11.3
77.03934	2.2
81.06991	1.7
84.08117	3.0
84.10163	1.5
91.33908	1.7
98.98457	21.1
107.04945	8.4
123.04404	1.8
133.02837	1.9
134.05992	1.9
147.84851	2.1
149.05992	2.3
150.99123	2.3
158.05960	3.7
170.11734	2.0
176.07013	1.9
177.05470	5.8
188.09351	1.7
188.12772	10.9
190.04745	67.2
193.01730	1.8
206.11884	2.3
211.02773	4.2
211.82405	1.6
222.11253	2.6
232.00832	1.5
232.15433	5.0
250.06866	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	251.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	4.8
55.05496	3.0
56.96564	83.7
57.03434	31.9
57.07083	2.6
58.99873	1.7
60.59100	1.5
61.02923	88.5
68.18561	1.6
69.03435	9.7
70.98113	6.9
71.01354	2.0
71.04993	3.4
71.58183	2.0
71.95257	4.0
73.02909	12.1
74.00219	2.0
74.97607	9.0
77.00906	4.7
81.03418	5.4
81.07048	2.6
82.01447	5.3
83.00777	7.7
84.01542	2.6
84.96033	7.2
85.02900	26.0
87.00820	2.8
87.04444	2.0
88.99154	7.8
89.00788	4.6
90.01554	2.8
91.02454	3.5
91.05470	2.2
92.01288	8.2
95.01326	3.6
95.04958	7.3
97.02894	9.9
98.01296	6.3
98.97587	26.5
98.98465	100.0
99.02065	2.9
99.04469	2.8
100.01074	1.7
100.02474	40.4
102.97026	1.8
104.01289	4.5
105.06984	1.9
106.01054	7.2
107.00188	4.6
107.04958	45.1
110.01305	2.1
110.97591	4.8
113.01687	2.2
113.02366	6.6
114.02564	2.1
114.04121	2.0
115.00686	1.8
115.01540	2.4
116.98642	28.0
116.99489	4.9
117.01849	8.0
117.03999	1.8
118.01003	9.5
118.03519	33.4
118.51370	4.1
119.01842	12.4
119.04971	2.9
120.00760	4.3
121.01540	6.2
121.02336	3.0
123.00195	4.0
124.95557	2.1
126.00726	3.6
126.98808	4.7
127.01540	8.1
127.03905	8.5
128.02299	2.8
128.98544	9.9
130.00969	2.6
130.02847	3.4
131.00127	4.7
131.01878	3.6
131.04942	3.9
132.00699	11.6
133.01648	4.3
133.03452	5.7
134.99646	17.1
138.00728	2.1
139.01523	5.7
141.01262	28.6
141.03017	2.8
141.51424	2.7
142.96527	11.4
143.00206	2.3
144.99818	28.8
146.99634	26.4
147.01395	2.6
148.02036	12.3
148.03851	17.7
148.54205	2.0
149.01178	6.1
149.02937	3.0
149.05965	3.0
150.00604	2.8
150.01784	28.4
150.99123	6.4
151.02750	4.5
153.01099	1.8
154.98334	2.1
155.01050	2.0
157.02588	33.1
157.04414	8.4
157.52737	3.6
158.99687	6.3
159.01183	2.8
159.02351	5.1
160.97525	12.8
161.01169	5.1
161.05531	6.0
161.52632	3.1
162.01779	4.0
162.99193	2.1
163.00845	7.3
163.02759	4.6
163.04353	3.9
165.00706	24.8
166.03087	9.7
168.01491	18.6
168.53391	2.8
170.01379	2.2
170.06039	4.9
170.95959	2.1
172.97789	2.6
172.99300	27.8
173.00946	3.2
173.02837	2.2
174.99254	11.9
175.00787	6.4
175.02486	12.2
177.00719	8.0
177.02458	8.7
177.06039	1.9
178.04883	1.9
178.98633	5.0
179.02211	2.6
182.01530	5.9
183.01871	3.3
184.01253	4.8
185.02901	1.8
186.02554	3.9
186.99200	3.1
187.00826	3.4
188.97095	12.8
189.00688	5.3
189.02379	3.7
190.01289	5.3
190.98640	10.5
191.00381	31.1
191.02127	12.1
193.00220	18.3
193.01755	5.5
193.03563	2.5
193.12178	2.0
196.00923	77.7
196.99612	2.1
198.02817	2.2
199.01750	4.1
201.02527	3.6
201.51930	1.7
202.98610	5.5
205.00182	9.2
205.01891	14.3
206.02577	4.7
206.98120	13.7
207.01747	5.2
207.03513	2.3
208.99606	3.6
211.01086	2.9
211.02806	7.8
212.02649	8.4
212.04410	3.2
214.01985	46.4
217.00171	2.2
219.01912	5.6
219.07164	5.4
220.99698	6.5
221.03102	2.4
223.01144	10.5
223.03088	1.9
226.02321	3.2
228.03513	35.6
232.99606	5.0
235.03026	2.0
237.02711	4.8
239.00687	2.4
242.03484	4.1
244.99770	2.6
246.04626	7.6
251.05052	3.1
251.16478	3.5
251.19978	4.1
263.00735	4.4
269.05701	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.2324
Annotation	Dihydrodeoxycernuine
Peak:m/z	Relative Intensity
55.05510	4.9
56.96550	1.6
57.07063	1.3
67.03899	0.6
67.05503	5.2
68.52394	0.6
69.03404	0.9
69.07081	4.5
69.46281	6.2
70.06583	8.0
72.08143	4.3
79.05482	4.2
81.03423	0.8
81.07052	9.4
83.08605	2.6
84.08123	4.3
91.05468	3.6
93.07020	2.4
94.06545	1.2
95.04967	3.1
95.07353	1.0
95.08598	8.9
97.06499	1.9
97.10155	1.0
98.09664	5.0
98.97549	1.0
105.07017	2.8
107.08587	2.3
108.08109	5.2
109.06505	1.1
109.10146	5.6
110.09671	11.5
119.08566	2.4
121.02873	0.9
121.10123	1.8
122.09683	1.4
123.04400	1.0
123.10456	4.0
123.11687	4.1
124.11201	1.8
129.06967	1.6
131.08546	1.2
134.99663	0.8
135.07988	0.8
137.09665	0.9
137.13217	0.9
143.08553	1.1
145.06473	1.0
145.10135	0.7
147.04410	1.0
147.08054	1.4
147.11638	0.9
149.01198	1.0
150.12767	2.3
152.14330	100.0
153.01764	0.8
153.14676	1.2
159.08078	1.3
161.09621	1.0
163.03918	1.8
177.00706	0.7
178.15933	2.9
179.23996	0.7
180.17490	1.5
189.09081	0.9
189.12820	1.0
203.10648	0.9
204.07721	0.7
205.08649	1.2
206.18970	0.9
207.13786	1.8
231.10033	0.8
231.13849	1.0
231.17543	0.8
232.20750	0.7
234.01852	0.6
249.07375	1.0
249.11159	4.5
249.14807	2.6
249.18620	2.0
249.23257	63.4
249.25414	2.4
250.09605	1.9
250.23566	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1848
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03935	4.0
55.01851	4.1
55.05502	23.5
56.96547	7.2
57.07060	7.4
65.03951	2.8
67.05493	33.0
69.03124	1.9
69.03430	21.4
69.07063	39.3
71.04966	5.5
71.60352	2.4
79.05486	27.7
81.03433	4.7
81.07050	26.2
83.04964	35.7
83.08600	9.0
84.08130	4.6
85.02914	2.3
85.06536	55.9
91.05474	37.9
92.20470	2.0
93.07038	44.6
95.04436	1.9
95.04932	11.4
95.08598	64.0
96.08893	2.1
97.06516	15.3
98.97557	7.2
103.05468	3.3
105.03387	2.7
105.07023	55.0
107.04961	10.1
107.08592	35.9
109.06506	14.8
109.10145	20.4
111.08073	12.6
115.05395	4.0
116.98590	7.2
117.07034	9.2
119.04885	4.6
119.08569	97.1
120.08962	2.6
121.06516	13.9
121.07227	2.0
121.09303	3.7
121.10127	49.3
122.07294	13.3
123.04372	2.8
123.08048	8.3
123.11687	5.2
125.09618	9.4
128.06163	3.7
129.06963	9.3
131.08578	11.7
133.06479	12.0
133.09225	3.4
133.10129	37.1
134.99678	4.3
135.08063	6.3
135.11649	10.0
137.09610	100.0
137.56705	2.0
139.11168	2.9
142.07800	4.2
143.08508	6.5
143.51646	2.6
145.06487	4.2
145.10121	15.0
146.07315	2.4
147.04437	3.0
147.08041	19.4
147.11678	69.8
149.09616	11.7
149.13199	5.8
151.11165	7.5
153.01819	7.6
157.10130	10.4
158.99605	3.8
159.08008	8.3
159.11589	4.2
160.08742	2.5
161.05992	3.1
161.09624	11.0
161.13255	10.2
163.07625	2.2
163.11153	16.2
165.09074	3.4
165.12785	11.2
170.10910	3.8
171.11665	10.9
175.11186	28.7
175.14809	6.0
177.00697	3.6
185.13174	5.3
187.07518	3.7
187.14774	7.0
189.09129	4.5
189.12685	13.0
189.16379	19.1
190.13428	4.0
191.14360	2.6
193.12265	3.6
203.14244	12.2
203.17957	3.6
204.07835	2.7
205.08569	2.5
205.59367	2.1
207.13763	4.2
207.17538	3.3
213.16393	10.3
228.10143	2.8
229.11305	2.1
231.10144	4.3
231.17444	36.5
237.10616	4.3
249.07381	5.6
249.11134	24.9
249.14780	4.4
249.18492	68.3
249.62282	2.7
250.18729	3.0
267.09210	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	249.1849
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03920	2.2
55.01878	4.4
55.05511	13.3
56.96563	14.4
57.07084	3.2
67.05501	45.8
69.03425	12.9
69.07077	17.9
71.04982	5.1
71.59620	4.9
73.02908	3.5
78.33511	2.8
79.05481	15.3
81.03453	2.2
81.07056	26.8
83.04984	12.5
83.08657	4.0
85.02943	4.4
85.06539	39.8
86.50632	2.1
89.58205	2.1
91.05479	24.5
93.07034	41.4
95.04968	9.0
95.08604	92.1
97.02902	6.2
97.06532	6.2
98.97595	5.2
103.05498	4.0
105.07038	29.0
107.04946	3.4
107.08591	19.1
109.06528	14.5
109.09491	3.0
109.10147	16.8
111.08074	25.5
111.20418	2.1
116.06203	3.2
116.98579	3.6
117.07010	6.0
119.05007	2.6
119.08585	33.1
121.06469	11.8
121.10144	20.3
122.07278	6.1
123.08067	5.1
123.11686	3.8
125.09610	3.6
128.06151	2.6
129.07016	9.3
131.04926	3.0
131.08562	11.0
133.06480	6.0
133.10135	20.9
134.99678	3.8
135.08080	5.0
135.11711	7.8
137.05981	3.8
137.09613	100.0
139.03886	3.2
139.07544	2.4
141.07005	5.0
142.07822	3.8
143.08569	4.4
144.05672	3.5
145.06508	3.9
145.10129	7.6
146.99594	2.7
147.04431	6.1
147.08066	8.8
147.11684	23.7
149.09595	13.8
151.11118	6.2
157.06410	2.8
157.10185	5.7
158.99666	3.3
159.08084	6.2
159.11705	5.3
160.08833	5.2
161.09610	7.5
161.13283	4.5
163.11235	2.7
165.12747	4.8
170.11086	2.4
171.08008	2.5
171.11743	4.8
173.13271	3.4
175.07603	3.3
175.11157	16.8
175.14911	2.4
177.00665	4.1
184.00346	2.4
185.13252	2.4
187.07509	3.1
189.09103	3.2
189.12793	2.6
189.16359	8.3
191.07053	2.5
203.14342	4.3
204.07898	3.0
213.16478	3.9
231.10133	2.8
231.17352	24.6
243.40977	2.3
249.03947	2.9
249.07414	5.0
249.11166	21.2
249.18465	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81809	1.5
52.03146	1.5
53.03931	5.0
55.01862	2.2
55.05513	12.5
56.96555	3.5
57.07075	2.5
57.78368	1.6
59.05025	1.5
65.03946	2.0
67.01857	3.6
67.05498	23.6
69.03077	3.1
69.03429	43.9
69.07055	5.8
69.56150	13.0
71.04984	2.0
79.05497	14.2
81.03405	2.2
81.07062	34.6
83.04982	25.6
83.08607	5.4
85.06529	2.1
91.05478	40.4
93.07042	42.4
95.04964	22.0
95.08601	24.6
97.02885	1.8
97.06505	7.3
98.97569	5.8
105.07029	22.9
107.04951	2.0
107.08595	20.6
109.02844	6.7
109.06514	22.4
109.10165	8.3
110.07277	5.4
111.04419	3.4
111.08067	13.6
115.05424	5.0
116.06214	2.3
116.98606	5.2
117.07013	5.7
119.04958	14.3
119.08579	52.9
121.06503	16.3
121.10079	6.3
122.07274	2.5
123.08075	3.4
125.09657	1.5
128.06187	3.9
129.06985	4.6
131.08549	8.6
133.06467	8.8
133.10094	12.3
134.99605	2.4
135.08054	11.9
135.11647	3.2
137.05980	8.4
137.09610	16.2
139.07510	2.5
141.06999	3.0
142.07797	2.9
143.08531	4.8
145.06538	2.1
145.10110	6.9
146.07214	2.5
147.04390	5.1
147.08044	100.0
147.11673	5.8
148.08424	2.3
149.09573	6.6
151.07481	2.6
153.01790	3.4
156.09384	2.9
157.06470	2.1
157.10153	2.5
158.99625	3.5
159.08023	6.5
159.11688	2.7
161.05960	5.6
161.09639	10.2
161.13266	12.4
163.11156	1.7
165.05473	31.2
165.09067	3.1
170.07170	1.8
170.11000	2.2
171.08087	2.9
171.11737	3.9
173.09598	2.2
175.07565	9.5
175.11328	2.3
175.14822	7.9
177.00749	3.1
179.07034	6.9
185.13246	6.6
187.07440	3.0
187.14732	1.6
189.09125	4.4
189.12698	17.2
203.14288	16.0
204.08051	2.5
205.08653	1.9
207.13808	3.7
213.12663	4.4
219.09651	3.6
228.09985	2.3
229.11035	2.2
231.10149	2.0
231.13757	15.3
245.90614	1.7
249.07535	5.0
249.11171	15.2
249.14842	82.3
249.18567	4.4
259.95694	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1487
Annotation	Lyratol D
Peak:m/z	Relative Intensity
50.81809	1.5
52.03146	1.5
53.03931	5.0
55.01862	2.2
55.05513	12.5
56.96555	3.5
57.07075	2.5
57.78368	1.6
59.05025	1.5
65.03946	2.0
67.01857	3.6
67.05498	23.6
69.03077	3.1
69.03429	43.9
69.07055	5.8
69.56150	13.0
71.04984	2.0
79.05497	14.2
81.03405	2.2
81.07062	34.6
83.04982	25.6
83.08607	5.4
85.06529	2.1
91.05478	40.4
93.07042	42.4
95.04964	22.0
95.08601	24.6
97.02885	1.8
97.06505	7.3
98.97569	5.8
105.07029	22.9
107.04951	2.0
107.08595	20.6
109.02844	6.7
109.06514	22.4
109.10165	8.3
110.07277	5.4
111.04419	3.4
111.08067	13.6
115.05424	5.0
116.06214	2.3
116.98606	5.2
117.07013	5.7
119.04958	14.3
119.08579	52.9
121.06503	16.3
121.10079	6.3
122.07274	2.5
123.08075	3.4
125.09657	1.5
128.06187	3.9
129.06985	4.6
131.08549	8.6
133.06467	8.8
133.10094	12.3
134.99605	2.4
135.08054	11.9
135.11647	3.2
137.05980	8.4
137.09610	16.2
139.07510	2.5
141.06999	3.0
142.07797	2.9
143.08531	4.8
145.06538	2.1
145.10110	6.9
146.07214	2.5
147.04390	5.1
147.08044	100.0
147.11673	5.8
148.08424	2.3
149.09573	6.6
151.07481	2.6
153.01790	3.4
156.09384	2.9
157.06470	2.1
157.10153	2.5
158.99625	3.5
159.08023	6.5
159.11688	2.7
161.05960	5.6
161.09639	10.2
161.13266	12.4
163.11156	1.7
165.05473	31.2
165.09067	3.1
170.07170	1.8
170.11000	2.2
171.08087	2.9
171.11737	3.9
173.09598	2.2
175.07565	9.5
175.11328	2.3
175.14822	7.9
177.00749	3.1
179.07034	6.9
185.13246	6.6
187.07440	3.0
187.14732	1.6
189.09125	4.4
189.12698	17.2
203.14288	16.0
204.08051	2.5
205.08653	1.9
207.13808	3.7
213.12663	4.4
219.09651	3.6
228.09985	2.3
229.11035	2.2
231.10149	2.0
231.13757	15.3
245.90614	1.7
249.07535	5.0
249.11171	15.2
249.14842	82.3
249.18567	4.4
259.95694	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
53.81981	0.5
55.01863	0.8
67.05489	0.7
69.03408	1.3
69.35129	2.8
69.35550	3.3
79.05485	1.2
81.07059	0.9
83.01814	0.7
83.04964	0.8
91.05479	7.6
93.07040	0.8
95.08578	0.7
97.02869	0.7
98.97577	1.4
103.05461	1.0
105.03385	0.8
105.07021	4.1
107.04962	2.5
109.02103	0.6
109.02869	0.9
111.48279	0.7
115.05444	4.6
116.06238	4.6
117.07004	2.4
119.08602	1.3
128.06207	8.6
129.07001	20.7
131.04884	2.6
131.08566	18.9
132.05710	1.0
133.06476	2.6
133.10104	2.2
139.05420	0.8
141.07001	9.6
142.07765	4.2
143.04901	1.1
143.08549	4.1
144.05695	9.8
145.06485	6.4
146.07265	3.2
147.04405	2.2
147.08038	0.8
152.06212	1.3
153.07002	2.0
154.91974	0.7
155.06041	1.6
156.05696	1.9
157.06500	9.7
158.07266	2.4
159.08052	30.9
161.06012	4.9
161.09633	7.8
167.06982	1.0
169.06421	2.5
169.07626	2.2
170.07269	10.0
171.04433	1.3
171.08052	6.5
172.05200	2.5
173.05986	4.6
174.06743	3.1
175.07559	3.9
177.00609	0.7
178.06229	1.0
185.05966	0.8
186.06746	1.0
187.07542	18.8
188.08298	1.4
189.05505	4.1
189.09102	11.2
190.06235	1.5
191.07083	1.4
193.08527	0.7
198.06766	3.2
199.07507	3.3
201.05457	1.7
203.07047	6.1
204.07832	12.9
205.08589	2.2
216.07768	4.8
217.08531	0.8
218.09375	1.9
219.10139	2.6
221.11728	2.8
231.10152	7.3
234.08888	1.2
249.11220	100.0
250.11554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.112
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
51.76585	0.4
55.01872	0.5
62.71880	0.5
67.05494	0.7
69.03435	0.7
71.11476	1.2
81.07027	0.6
91.05477	7.2
103.05460	1.4
105.07023	2.8
107.04951	1.9
110.62726	0.5
115.05438	5.6
116.06240	3.7
117.07009	3.2
118.52781	0.6
119.08549	0.7
126.09142	0.6
128.05275	0.5
128.06226	10.1
129.07004	21.8
130.07785	1.2
131.04907	1.9
131.08565	18.6
132.05687	1.6
133.06470	3.5
133.10104	1.4
134.12325	0.5
141.06984	9.0
142.07767	3.7
143.04950	0.7
143.08565	3.5
144.05705	10.7
145.06491	6.6
146.07259	3.7
147.04408	1.6
147.07950	0.6
148.93896	0.6
152.06238	0.9
153.06979	2.1
155.04893	0.7
155.06067	1.1
156.05692	1.7
157.06491	9.3
158.07269	2.6
159.08052	28.9
160.05156	1.2
161.05997	3.1
161.09607	7.9
167.07027	1.5
167.25732	0.5
169.06429	1.3
169.07649	2.6
170.07278	8.2
171.04393	1.5
171.08035	7.6
172.05144	3.2
173.05997	4.4
174.06810	2.6
175.07567	3.6
178.06276	0.6
181.06441	1.0
185.05946	1.0
186.06691	0.8
187.07553	18.1
188.04852	0.5
188.08290	1.0
189.05530	3.2
189.09099	9.1
190.06241	1.2
191.07051	1.2
192.07851	0.6
193.08600	1.1
198.06767	2.0
199.07538	3.9
201.05476	1.8
203.07034	5.7
204.07793	10.9
205.08595	2.0
206.09299	1.2
216.07787	2.9
217.08586	1.1
218.09332	1.3
219.10104	2.0
221.08096	1.0
221.11739	3.1
231.10170	7.5
234.08812	1.2
249.11215	100.0
250.11519	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
51.39617	0.6
54.43446	0.6
55.05500	1.2
56.96552	0.7
57.03430	1.2
58.88543	0.5
63.03286	0.6
67.05487	1.6
69.03432	1.5
69.07069	1.1
69.37840	4.9
79.05495	0.7
81.07014	0.8
91.05475	8.3
93.07020	1.4
95.04959	1.1
97.02849	1.0
97.06496	0.9
98.20704	1.2
103.05448	1.6
105.07013	5.2
107.04953	2.1
107.08575	1.5
110.51242	0.7
115.05432	4.2
116.06261	3.8
117.06996	3.7
119.04882	1.0
119.08556	1.3
121.06456	0.8
121.10112	1.3
123.08045	0.7
127.05325	0.7
128.06198	8.5
129.06982	21.9
130.07855	0.7
131.04929	2.5
131.08548	17.3
132.05678	1.2
133.06485	2.9
133.10115	3.2
134.99675	0.8
141.06963	9.9
142.07730	2.5
143.04886	0.8
143.08557	3.6
144.05695	10.3
145.06476	6.4
145.10088	1.1
145.45987	0.6
146.07260	3.0
147.04405	1.7
147.08028	1.5
152.06146	1.1
153.06978	1.7
155.06013	1.6
156.05650	1.5
157.06493	9.0
158.07234	2.5
159.04379	0.8
159.08029	27.8
160.05228	1.5
161.05960	4.0
161.09607	6.7
167.06931	1.1
169.06371	1.2
169.07585	2.5
170.07245	7.9
171.04387	0.8
171.08028	6.1
172.05244	3.5
173.05940	4.5
174.06735	2.6
175.07516	2.6
177.05353	0.7
184.05298	1.0
187.07516	18.0
188.08240	1.5
189.05481	4.0
189.09087	8.2
190.06232	1.5
190.26451	0.6
191.06964	1.4
191.10629	0.8
193.08638	1.4
198.06737	2.1
199.07471	3.0
201.05420	2.3
203.07022	5.5
203.10643	1.0
203.14304	0.7
204.07791	12.2
205.08601	2.9
211.21812	0.7
216.07744	3.1
217.08542	0.8
218.09341	1.7
219.10124	2.5
221.11703	4.0
231.10107	8.3
231.13675	1.2
234.08810	0.9
249.11197	100.0
250.11476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1642
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
51.68362	0.3
56.96549	1.1
62.20620	0.3
66.63592	0.3
69.74694	1.6
81.07029	0.3
84.15107	0.3
85.02927	0.3
98.97591	0.6
105.07024	0.4
106.14544	0.3
116.98599	0.3
117.05808	0.3
118.06532	5.4
129.06937	0.4
131.08539	0.6
132.08084	2.9
133.08867	0.5
134.09604	0.5
144.05687	0.3
144.08009	0.4
145.08807	0.3
146.09641	2.2
150.05466	1.1
159.08075	0.4
159.10416	0.3
160.11200	0.5
174.12799	1.1
176.14339	13.2
177.14682	0.3
185.01192	0.6
186.55205	0.3
190.08623	12.4
202.15891	2.7
203.02263	0.4
203.16653	1.0
204.10196	7.1
205.10918	1.9
206.11664	0.3
206.55394	0.2
218.11729	4.8
219.12309	0.3
248.16444	100.0
249.11177	1.0
249.16794	2.0
263.38327	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77422	8.4
54.10394	8.3
54.61049	9.3
56.96556	35.3
57.03428	15.0
61.02929	17.0
67.73747	9.7
69.03411	23.9
69.61539	64.9
69.61954	23.1
70.06579	30.1
70.54976	8.4
70.98122	10.0
71.04984	10.0
71.79501	9.5
84.08134	22.6
85.02902	26.4
94.93017	100.0
97.02899	13.0
98.21463	22.8
98.97594	41.2
116.07087	45.7
116.98609	43.7
119.01890	37.0
121.01653	16.9
128.98531	14.2
133.03510	16.6
134.99655	30.1
135.03111	17.2
146.08170	26.1
158.99680	19.8
159.05026	10.7
161.02997	14.4
165.00682	13.0
177.00722	24.8
189.00642	12.0
196.69511	11.3
206.88556	30.7
207.01787	14.3
219.01656	10.6
229.04669	11.1
231.03581	13.5
232.04977	19.8
248.89836	12.3
249.03667	74.9
249.08292	19.7
249.14520	34.2
269.05673	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	247.1328
Annotation	[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Peak:m/z	Relative Intensity
50.30067	1.7
53.03928	2.1
55.05491	4.9
56.96520	1.6
62.20772	1.6
65.03922	3.3
67.05481	5.7
69.03422	20.4
70.05247	5.5
70.05657	4.6
79.05477	7.8
79.28572	1.6
81.07057	8.3
81.88716	1.7
83.04977	21.4
91.05476	15.3
93.03406	4.5
93.07035	12.2
95.04962	5.7
95.08588	2.3
97.02885	6.8
105.07028	12.3
107.04939	3.0
107.08583	13.1
109.02873	9.5
109.06504	13.0
109.10107	2.9
111.04427	5.6
115.05437	2.1
117.07005	10.2
118.47744	1.7
119.06155	1.6
119.08571	14.1
121.02838	4.5
121.06485	15.4
121.10129	6.7
123.08126	3.4
128.06227	3.5
129.06981	6.1
131.08553	17.0
133.10101	8.6
135.08047	29.0
137.05965	4.4
137.09602	4.0
141.06940	2.7
142.07758	2.7
143.08543	8.6
144.09367	9.0
145.06473	11.8
145.09074	2.0
145.10078	10.4
147.07986	6.4
149.09593	22.9
150.10364	2.5
151.07547	2.2
151.11171	4.3
153.07036	2.4
153.09071	2.3
155.08527	5.0
157.10095	2.9
158.07195	2.1
158.10901	7.2
159.08073	8.6
159.11667	28.7
160.08746	2.8
161.09592	5.0
163.07516	19.9
163.11229	3.2
165.09158	3.4
168.09334	4.0
169.10065	2.3
170.10895	6.1
171.08041	9.0
172.08827	22.3
172.37550	2.2
173.09619	34.3
173.13232	28.9
179.65561	1.7
183.11679	8.9
185.13184	2.3
186.10419	19.7
187.11171	100.0
188.11646	2.7
189.09125	2.1
191.07013	40.3
194.67494	1.8
196.08861	9.0
201.12718	58.4
205.12198	5.5
211.11182	10.5
214.09944	3.5
218.47763	1.9
219.13760	5.2
229.12225	63.1
247.06041	9.6
247.13274	72.3
248.13670	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	247.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
65.70135	0.8
70.94700	1.9
87.18478	0.8
116.33868	0.7
118.17449	0.7
147.66083	0.7
167.03123	1.3
169.00989	1.2
187.02185	1.6
229.03189	30.8
247.04251	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	247.1326
Annotation	Parishin B
Peak:m/z	Relative Intensity
50.64322	1.3
53.03946	2.5
53.55153	1.3
55.01852	2.0
55.05491	4.7
55.59472	1.4
57.07054	2.2
59.24537	1.2
60.04495	3.3
63.21887	1.2
65.03922	4.5
67.05492	3.7
69.03426	18.7
70.08386	6.8
70.14693	1.2
79.05484	7.7
81.07053	8.3
83.04981	19.1
86.94283	1.1
91.05476	19.0
92.69098	1.3
93.03390	5.0
93.07035	11.1
95.04974	6.5
95.08588	2.2
97.02880	8.3
102.05528	12.0
105.07037	12.8
107.04930	2.3
107.08607	14.0
109.02879	12.4
109.06523	12.7
109.10139	3.1
111.04432	4.4
111.08035	1.7
115.05444	4.0
117.07033	10.2
119.08568	17.5
121.02841	4.4
121.06503	15.2
121.10128	7.2
123.08049	2.1
124.07587	2.0
128.06180	2.9
129.06996	6.5
130.07729	1.4
131.08574	16.5
132.05740	1.6
133.10107	9.9
135.08051	26.3
137.05972	4.1
137.09592	2.3
139.03883	2.7
141.06967	3.0
142.07787	2.1
143.08568	13.5
144.09367	9.8
145.06451	12.0
145.10117	13.8
146.07240	2.2
147.08032	3.3
149.09613	22.7
150.10387	2.5
151.11166	5.1
153.06963	2.6
155.08565	7.2
156.09375	2.4
157.06541	1.7
157.10095	4.4
158.07207	3.3
158.10902	11.9
159.08087	14.3
159.11682	25.8
160.08829	3.7
161.09624	3.6
163.07532	20.8
163.11163	2.9
165.09142	1.4
168.09319	3.7
169.10126	2.5
170.10907	3.8
171.08037	8.3
172.08838	17.6
173.06027	1.8
173.09627	29.1
173.13249	33.6
177.12680	1.7
181.06479	2.6
183.11696	10.7
185.13258	2.1
186.10402	22.1
187.11183	100.0
188.07872	1.3
188.11542	2.7
191.07030	42.6
192.07431	1.3
193.10092	2.0
196.08815	5.7
199.07500	2.4
201.12749	57.6
205.12215	5.9
211.11185	12.0
214.09914	2.5
219.13788	3.6
229.12230	62.0
230.12601	2.3
247.06003	5.7
247.13277	73.3
248.13605	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
55.05490	1.6
56.96561	100.0
58.06583	2.3
61.02918	2.0
61.46662	0.8
67.05481	1.0
67.24721	0.9
69.03424	1.6
69.07074	1.9
70.06586	1.7
70.98124	7.7
71.59113	1.4
72.08133	2.0
72.12632	1.0
73.02917	1.0
74.85508	0.8
74.97606	8.3
79.05514	0.8
84.04490	4.3
84.08132	1.9
84.96032	4.2
85.02895	2.0
85.04824	1.1
86.09696	8.1
88.03976	1.3
88.07670	1.1
88.99162	9.7
90.03794	1.2
91.05417	1.2
92.98636	3.2
93.07020	1.0
94.85841	0.9
97.02863	1.0
98.97590	3.0
100.99129	4.0
102.05530	1.9
102.97027	1.1
103.81873	0.9
107.00186	6.3
110.02372	1.1
116.98609	3.9
117.07070	1.2
118.03278	1.1
119.00177	8.0
119.01859	1.4
121.06474	1.0
121.10115	1.5
123.04420	3.3
128.98589	5.6
129.10231	1.3
130.04951	1.9
130.12267	3.4
132.10197	3.4
133.01704	2.5
134.99710	4.4
135.00540	0.9
137.01210	2.1
141.10201	1.2
144.98085	9.1
145.09969	1.0
146.06020	1.3
146.99634	17.8
148.97580	5.1
149.13388	0.9
153.00656	1.5
161.01196	4.2
162.99146	29.1
165.00713	27.5
165.02051	1.7
166.98663	3.2
173.05995	1.0
175.04549	1.2
177.00755	1.4
179.02284	2.0
181.00180	22.3
181.01668	1.7
183.01794	4.8
186.00687	0.8
186.99144	2.3
196.01294	1.7
199.01248	4.0
201.10484	1.2
201.12398	3.0
203.11147	2.3
204.01826	0.8
205.00169	23.6
205.01941	2.0
212.09210	1.1
215.02235	1.7
223.01230	68.8
224.57436	0.9
225.06963	1.6
229.03081	2.2
229.05017	2.7
237.02975	1.3
241.02293	10.4
242.03297	3.7
246.02850	2.9
247.01704	1.6
247.04013	8.5
247.06418	1.4
247.10779	2.2
247.13307	2.6
247.16724	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	246.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.80977	0.3
56.96563	2.2
57.07068	2.1
58.06577	0.3
70.06597	2.9
70.62473	0.3
71.08625	1.5
85.10152	0.3
88.07628	4.2
98.21518	0.6
102.09155	1.7
106.08661	2.4
112.38972	0.4
112.75082	0.3
118.05692	0.5
118.06537	8.8
132.08096	3.2
133.08865	1.8
134.09648	0.9
146.09633	3.4
147.10373	0.7
160.11295	0.3
176.14340	53.1
177.14699	0.9
184.20619	0.6
188.14307	0.5
201.00764	0.5
201.05371	0.4
202.15915	0.8
203.16655	0.5
216.17551	0.4
220.47346	0.3
228.23232	1.3
241.00211	0.8
246.04733	0.8
246.22153	100.0
246.24344	20.0
247.06013	2.0
247.22464	2.1
247.24722	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01025	0.3
51.02364	0.3
53.03938	1.4
55.01863	0.9
55.05496	0.7
55.73864	0.3
56.96559	21.0
57.03431	4.0
58.06583	0.4
61.02915	1.5
69.03420	2.4
69.34692	3.1
70.06573	0.9
70.98106	1.0
71.01334	1.1
71.04981	2.4
71.95251	1.2
72.08153	0.8
72.91068	0.3
73.02905	2.7
74.02445	0.4
74.97604	1.3
75.04475	0.9
77.00877	0.6
79.05492	2.6
80.05052	0.4
81.03417	3.4
82.99863	0.3
83.00803	0.8
83.01298	0.7
84.04490	2.1
84.08138	0.7
84.96024	5.9
85.02892	3.1
86.03677	2.7
86.06055	1.5
87.04440	1.0
88.07661	0.4
88.99172	0.4
89.00758	0.4
91.05470	1.1
92.01312	0.4
94.04191	0.6
95.01897	0.4
95.04961	10.7
96.05267	0.7
96.06867	0.4
97.00510	0.5
97.02902	0.5
97.96796	3.4
98.21655	0.4
98.97575	10.9
99.04457	1.3
100.05236	1.1
100.11227	1.9
101.00858	1.8
101.02393	0.8
102.97055	1.1
103.00513	0.7
103.02395	0.7
103.05463	1.0
104.01290	0.6
105.02050	1.0
105.04497	0.9
105.07005	0.4
107.04945	100.0
108.01511	0.9
108.05276	5.5
109.02876	3.5
110.01283	1.7
110.97559	4.6
111.02046	0.5
111.04454	0.3
112.99155	0.9
113.05991	0.4
115.02352	0.4
115.05463	0.4
115.97825	2.3
116.01235	0.7
116.07097	1.0
116.98610	7.4
117.00293	0.3
117.02034	1.8
118.01026	1.0
119.01897	6.8
119.04929	1.7
121.06508	0.8
123.02106	0.8
123.04416	0.8
124.07587	1.1
124.95496	0.5
124.99126	0.7
125.01773	1.0
125.87611	0.3
126.01733	0.3
126.02509	1.7
127.03913	1.0
127.26748	0.3
128.01282	0.6
128.02316	0.8
128.51389	0.3
128.98598	8.1
130.01004	0.3
130.04985	1.8
130.52608	0.4
131.00179	2.8
131.01852	1.6
131.04915	4.7
132.00690	0.3
132.02563	0.4
132.05255	0.5
133.01732	0.4
133.03448	0.7
133.06485	1.0
133.54997	0.3
133.98889	1.3
134.99637	3.7
135.02048	0.8
135.03091	1.2
137.01779	2.5
137.02954	1.1
137.06010	0.4
140.98596	0.8
141.99374	1.1
142.00975	0.4
142.05057	0.5
142.96494	0.9
143.00142	4.2
143.01877	0.8
144.02570	2.0
144.03545	0.5
144.98090	1.0
145.01625	0.5
145.03453	1.1
146.02306	3.7
146.99632	8.6
147.01376	0.4
147.04333	1.9
148.00397	1.0
149.01215	3.3
149.05981	3.4
150.51952	0.6
150.99132	0.7
151.01488	0.5
153.01941	0.6
153.03069	5.6
153.53227	0.4
155.00159	0.9
155.01854	1.0
155.02869	1.3
157.01694	1.5
157.03461	1.3
157.53098	0.4
158.02264	0.4
158.99635	1.8
159.04315	1.8
160.00453	0.9
160.02074	0.7
160.97583	1.6
161.01215	5.4
161.02921	1.2
162.03587	4.6
162.53801	0.7
162.99133	1.2
163.03183	0.5
165.00706	1.1
167.01755	0.5
167.02969	0.5
169.00195	0.5
170.99681	1.0
171.04111	4.4
172.03827	0.4
173.01228	3.0
173.02933	1.8
174.03900	0.7
174.99184	1.6
175.02762	1.2
175.85243	0.4
176.03384	1.4
177.00734	2.4
177.05379	1.6
178.98642	0.9
179.02246	0.8
179.03928	1.0
182.08162	0.5
182.54909	0.5
182.99606	0.8
184.03918	1.0
184.09755	0.4
184.97641	0.4
185.02773	4.2
188.97076	1.8
189.00720	0.9
190.98547	0.4
191.02274	3.6
191.04633	1.3
193.00140	1.2
193.01765	1.3
193.04367	0.6
197.02982	1.3
200.03473	0.7
200.05159	3.1
201.00639	2.5
201.02319	0.3
201.12367	1.3
202.98645	0.6
203.02325	0.5
203.04010	2.2
206.23770	0.4
206.98112	2.1
209.03668	0.6
209.05679	6.0
209.55843	1.0
210.02789	0.4
211.02760	2.4
211.56036	0.4
215.02274	0.8
218.06190	1.5
219.01730	2.3
220.99548	0.7
221.05113	0.5
223.02879	0.8
227.03865	0.4
233.03273	2.4
236.04355	0.8
237.02856	1.9
241.03899	0.5
245.04726	5.6
245.11328	1.5
245.14955	1.4
245.18768	1.7
251.02066	0.4
251.04353	6.0
254.05496	2.1
269.05429	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0057
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35814	4.9
50.90142	6.0
55.61261	5.2
56.96567	74.9
57.03434	8.8
58.06597	16.9
61.02923	10.3
69.03441	6.0
70.06583	19.0
71.58648	10.2
71.95261	6.6
72.08145	7.6
73.02918	6.6
73.54476	5.0
77.00862	5.6
78.52913	5.4
81.03416	10.0
84.04500	64.9
84.07691	6.9
84.08125	40.7
84.96050	7.4
86.06084	7.0
95.04977	8.8
96.97537	5.5
97.02861	6.4
98.97590	50.7
100.11253	7.7
101.00890	24.2
107.04947	71.1
109.02924	8.3
115.02418	7.9
116.07068	32.8
116.98595	45.9
118.74085	5.1
119.01919	63.1
123.01986	6.1
123.04440	38.7
124.07622	13.1
124.95486	7.6
125.02367	5.9
128.10713	15.4
128.98608	9.3
130.05009	38.3
131.00209	7.6
131.01884	15.0
134.99625	36.2
135.66081	5.4
137.02954	15.9
142.96573	14.4
143.01926	8.9
143.03322	6.3
145.03477	21.9
146.99657	15.9
153.01836	19.0
155.01895	14.1
155.11862	6.5
156.02547	7.9
157.03479	16.4
160.97549	14.9
161.03021	29.3
173.01534	5.2
173.02989	21.6
174.99144	11.4
182.08141	14.9
183.14972	9.9
185.02972	51.6
187.04630	9.1
188.97063	46.9
193.00249	14.5
197.02948	18.7
199.14465	16.5
201.12389	19.5
202.98662	21.1
203.03969	15.2
206.98116	36.7
220.99713	11.4
221.05060	13.7
227.10321	9.6
228.08653	6.9
245.05077	32.7
245.11459	19.6
245.14980	100.0
251.04407	7.2
269.05527	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	245.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01025	0.3
51.02364	0.3
53.03938	1.4
55.01863	0.9
55.05496	0.7
55.73864	0.3
56.96559	21.0
57.03431	4.0
58.06583	0.4
61.02915	1.5
69.03420	2.4
69.34692	3.1
70.06573	0.9
70.98106	1.0
71.01334	1.1
71.04981	2.4
71.95251	1.2
72.08153	0.8
72.91068	0.3
73.02905	2.7
74.02445	0.4
74.97604	1.3
75.04475	0.9
77.00877	0.6
79.05492	2.6
80.05052	0.4
81.03417	3.4
82.99863	0.3
83.00803	0.8
83.01298	0.7
84.04490	2.1
84.08138	0.7
84.96024	5.9
85.02892	3.1
86.03677	2.7
86.06055	1.5
87.04440	1.0
88.07661	0.4
88.99172	0.4
89.00758	0.4
91.05470	1.1
92.01312	0.4
94.04191	0.6
95.01897	0.4
95.04961	10.7
96.05267	0.7
96.06867	0.4
97.00510	0.5
97.02902	0.5
97.96796	3.4
98.21655	0.4
98.97575	10.9
99.04457	1.3
100.05236	1.1
100.11227	1.9
101.00858	1.8
101.02393	0.8
102.97055	1.1
103.00513	0.7
103.02395	0.7
103.05463	1.0
104.01290	0.6
105.02050	1.0
105.04497	0.9
105.07005	0.4
107.04945	100.0
108.01511	0.9
108.05276	5.5
109.02876	3.5
110.01283	1.7
110.97559	4.6
111.02046	0.5
111.04454	0.3
112.99155	0.9
113.05991	0.4
115.02352	0.4
115.05463	0.4
115.97825	2.3
116.01235	0.7
116.07097	1.0
116.98610	7.4
117.00293	0.3
117.02034	1.8
118.01026	1.0
119.01897	6.8
119.04929	1.7
121.06508	0.8
123.02106	0.8
123.04416	0.8
124.07587	1.1
124.95496	0.5
124.99126	0.7
125.01773	1.0
125.87611	0.3
126.01733	0.3
126.02509	1.7
127.03913	1.0
127.26748	0.3
128.01282	0.6
128.02316	0.8
128.51389	0.3
128.98598	8.1
130.01004	0.3
130.04985	1.8
130.52608	0.4
131.00179	2.8
131.01852	1.6
131.04915	4.7
132.00690	0.3
132.02563	0.4
132.05255	0.5
133.01732	0.4
133.03448	0.7
133.06485	1.0
133.54997	0.3
133.98889	1.3
134.99637	3.7
135.02048	0.8
135.03091	1.2
137.01779	2.5
137.02954	1.1
137.06010	0.4
140.98596	0.8
141.99374	1.1
142.00975	0.4
142.05057	0.5
142.96494	0.9
143.00142	4.2
143.01877	0.8
144.02570	2.0
144.03545	0.5
144.98090	1.0
145.01625	0.5
145.03453	1.1
146.02306	3.7
146.99632	8.6
147.01376	0.4
147.04333	1.9
148.00397	1.0
149.01215	3.3
149.05981	3.4
150.51952	0.6
150.99132	0.7
151.01488	0.5
153.01941	0.6
153.03069	5.6
153.53227	0.4
155.00159	0.9
155.01854	1.0
155.02869	1.3
157.01694	1.5
157.03461	1.3
157.53098	0.4
158.02264	0.4
158.99635	1.8
159.04315	1.8
160.00453	0.9
160.02074	0.7
160.97583	1.6
161.01215	5.4
161.02921	1.2
162.03587	4.6
162.53801	0.7
162.99133	1.2
163.03183	0.5
165.00706	1.1
167.01755	0.5
167.02969	0.5
169.00195	0.5
170.99681	1.0
171.04111	4.4
172.03827	0.4
173.01228	3.0
173.02933	1.8
174.03900	0.7
174.99184	1.6
175.02762	1.2
175.85243	0.4
176.03384	1.4
177.00734	2.4
177.05379	1.6
178.98642	0.9
179.02246	0.8
179.03928	1.0
182.08162	0.5
182.54909	0.5
182.99606	0.8
184.03918	1.0
184.09755	0.4
184.97641	0.4
185.02773	4.2
188.97076	1.8
189.00720	0.9
190.98547	0.4
191.02274	3.6
191.04633	1.3
193.00140	1.2
193.01765	1.3
193.04367	0.6
197.02982	1.3
200.03473	0.7
200.05159	3.1
201.00639	2.5
201.02319	0.3
201.12367	1.3
202.98645	0.6
203.02325	0.5
203.04010	2.2
206.23770	0.4
206.98112	2.1
209.03668	0.6
209.05679	6.0
209.55843	1.0
210.02789	0.4
211.02760	2.4
211.56036	0.4
215.02274	0.8
218.06190	1.5
219.01730	2.3
220.99548	0.7
221.05113	0.5
223.02879	0.8
227.03865	0.4
233.03273	2.4
236.04355	0.8
237.02856	1.9
241.03899	0.5
245.04726	5.6
245.11328	1.5
245.14955	1.4
245.18768	1.7
251.02066	0.4
251.04353	6.0
254.05496	2.1
269.05429	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.9
55.01880	4.2
55.05510	46.9
56.96568	1.0
58.06591	1.6
67.05497	1.1
67.23389	0.7
68.99791	0.7
69.06719	1.1
69.07071	17.6
70.02945	2.1
71.59167	0.7
71.59597	1.0
72.08142	1.7
73.42518	0.7
74.02438	29.5
81.07054	1.0
83.06259	0.7
83.08617	58.7
84.08134	1.2
86.09696	0.8
87.72431	0.9
88.03989	49.4
91.05516	1.2
98.03198	0.6
102.05539	3.7
105.11347	0.6
111.08076	16.9
116.03451	21.7
128.10686	1.5
134.04485	100.0
148.06065	4.8
154.12221	1.0
180.10208	8.1
198.11234	6.6
222.15240	0.8
226.10759	6.1
244.11821	56.1
245.04475	8.5
249.66034	0.7
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
51.58736	1.0
53.50230	0.8
55.05499	2.6
56.96553	4.5
57.03424	1.0
59.04996	2.7
60.04526	8.9
61.02917	2.5
67.05503	2.2
69.03416	2.1
69.07064	85.1
70.02949	4.0
71.08982	1.0
71.09323	1.7
73.02913	1.3
73.06546	1.8
81.03402	2.0
81.07023	2.0
82.71690	0.7
83.08617	1.0
85.02898	3.3
88.03986	55.2
91.03954	1.5
91.05527	1.0
93.07020	0.9
97.02911	2.2
97.06514	3.4
98.97588	4.5
102.05537	97.2
107.08604	2.3
109.10152	2.4
114.04191	1.0
116.98630	3.5
121.06498	1.2
124.07602	6.0
127.03927	0.9
130.05013	2.4
133.03464	2.2
134.99660	1.3
136.01012	1.0
142.03242	1.0
148.06039	100.0
148.07118	3.6
148.57465	1.0
149.06093	0.8
151.03372	0.8
151.04521	2.1
157.03653	0.9
158.99626	1.9
160.03824	1.1
163.07858	7.6
163.58058	1.2
163.80148	0.8
166.08629	13.1
170.05345	1.2
172.08351	2.1
177.00706	1.8
177.04855	1.5
184.09647	4.6
198.11252	14.4
212.09167	1.9
219.01834	1.9
226.10675	3.2
243.09131	1.2
244.11826	52.3
245.04416	4.3
245.11983	0.9
251.11293	1.5
261.10220	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01864	1.3
56.05031	3.6
56.96563	21.1
57.03430	2.6
58.06597	100.0
59.05006	1.1
59.06913	0.7
60.95847	0.6
61.02924	4.7
65.03941	0.8
67.01860	3.3
67.05466	0.6
69.03424	3.0
70.06590	3.3
70.98132	0.8
71.04996	2.2
71.05357	0.6
71.58652	1.2
71.95286	1.0
72.08150	10.3
72.93768	0.8
73.02917	4.0
73.08482	1.2
74.06082	1.4
74.97620	1.1
76.07639	24.3
79.05490	0.8
81.03406	1.0
83.00802	0.7
83.05021	0.8
84.04511	1.9
84.08163	2.5
84.96044	2.2
85.02896	4.3
86.06100	0.6
86.09729	0.8
87.04468	3.4
88.99165	1.1
91.05466	1.1
92.05007	0.8
94.02940	1.2
94.04214	0.7
95.01347	1.5
95.04966	5.5
97.02893	6.0
98.06042	1.4
98.97573	3.6
99.59653	0.6
101.02373	0.6
101.05990	0.7
102.05540	1.0
104.05011	0.8
104.18787	0.6
107.00189	0.8
107.01347	2.0
107.04949	26.4
108.04646	0.7
108.05322	2.1
110.06088	0.9
110.09700	1.3
111.04482	1.9
112.03976	1.0
113.02354	5.5
115.02326	0.6
116.07105	1.2
116.97278	0.8
116.98592	5.1
119.01920	2.3
120.02009	0.8
120.04486	2.3
122.06116	0.9
123.00822	2.1
123.04504	1.0
124.03974	0.9
124.07647	0.8
125.02391	3.5
126.05575	2.3
127.03932	1.5
128.98640	1.5
129.00244	0.7
129.05498	1.2
130.02843	0.7
130.09787	0.9
131.01942	1.3
132.00662	0.6
134.03030	2.2
134.06030	2.5
134.99619	4.1
137.03027	1.1
138.00693	0.7
138.05504	1.3
139.03908	6.7
140.07103	1.1
141.01947	1.4
141.05496	0.8
142.96539	1.4
143.00093	0.9
145.03485	0.7
146.99701	2.5
148.03897	2.9
149.01241	0.8
149.02354	0.8
149.06009	1.0
150.01848	1.4
151.03903	3.4
152.03548	0.7
152.07115	2.5
153.00743	1.2
153.01878	2.7
153.02962	1.0
155.02362	1.0
157.02672	0.7
157.04990	1.5
158.08115	0.8
158.99698	0.9
159.02325	1.4
160.97641	2.3
161.01233	1.6
161.02991	1.0
162.05560	2.8
162.99199	1.1
165.00700	1.4
166.05049	1.0
166.08723	2.5
167.03430	3.5
167.07123	1.8
168.06580	1.0
169.00153	0.8
169.01349	4.0
169.05013	2.7
174.99203	0.9
175.02643	1.7
177.00772	1.8
178.98616	1.5
180.06593	2.9
182.08145	0.9
185.02873	0.6
185.04440	11.8
186.99161	1.0
188.97084	4.3
193.00307	2.0
193.06242	0.7
194.08093	4.7
198.07582	0.8
199.05003	1.1
202.98692	1.5
205.00153	1.2
206.96405	0.9
206.98064	4.3
207.01718	0.8
211.02875	2.0
212.09299	2.4
213.04034	5.6
216.08762	2.8
216.12434	1.9
220.99854	0.8
226.07289	1.7
226.10838	0.8
235.03056	0.9
244.02826	0.9
244.08218	11.2
244.12047	3.0
244.17502	1.2
245.04678	0.8
248.99289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36645	0.6
55.05488	1.1
55.93522	0.7
56.96560	3.1
58.06596	15.0
62.02332	0.7
64.36667	0.6
67.05476	1.1
69.03411	1.2
69.07059	1.1
70.06587	1.2
71.04995	0.7
71.58902	0.9
72.08139	2.0
72.93789	1.0
79.05490	1.6
81.03395	1.9
81.07056	1.1
84.04494	3.0
84.08143	8.2
85.02914	0.7
86.09684	2.4
91.05472	1.6
95.01320	2.3
95.04958	2.2
98.09665	2.0
107.04972	5.2
109.02884	0.9
110.06052	1.2
112.41814	0.7
116.10726	2.7
116.98648	1.2
123.04436	2.1
124.04700	1.0
124.11220	0.8
128.10696	1.0
131.08571	1.8
132.10165	1.3
135.04417	0.8
137.05965	1.0
140.03546	0.6
140.04619	1.8
141.07021	1.6
143.03401	0.9
143.11777	0.8
146.99681	1.1
147.04414	0.9
149.06007	0.9
151.03810	0.9
153.01837	1.2
153.05360	0.6
154.07693	1.0
155.07043	1.9
158.04480	1.2
159.08058	1.7
161.01166	1.1
167.03322	0.9
169.10121	1.0
173.05928	0.7
181.04977	2.0
182.07278	0.9
183.02711	0.8
183.08449	1.6
184.06058	1.0
187.07521	2.6
197.05988	1.2
197.09592	2.7
197.16496	54.2
198.11292	1.2
198.16844	1.0
215.06940	1.0
225.09149	1.3
243.04622	4.0
243.10355	3.9
243.17044	100.0
244.08253	1.2
244.17200	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	243.0864
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
51.02372	1.8
53.03935	2.4
55.01863	2.8
56.96556	7.4
57.03412	4.1
61.02919	14.6
65.03942	11.9
67.05499	6.9
68.99787	1.7
69.03439	4.0
70.57920	4.5
71.04994	3.8
79.05490	7.9
81.03397	4.3
81.07056	8.7
82.04208	3.9
84.04506	3.1
85.02899	8.8
86.09692	2.8
90.94805	2.4
91.05482	20.0
94.04173	2.6
95.04971	20.1
95.06070	5.0
97.02872	4.7
97.06511	7.3
98.97571	7.0
104.78257	1.8
105.03391	3.0
105.07029	2.6
107.04939	11.0
109.06526	16.2
110.03646	3.6
111.04443	4.8
113.07143	3.8
116.98608	6.8
119.04930	5.7
121.06482	3.1
123.04432	20.2
123.11665	1.7
125.02334	7.1
125.05973	4.2
131.08574	2.5
133.02834	11.1
134.99640	4.3
135.04404	6.5
137.05981	23.5
138.03131	2.0
140.04678	100.0
141.06995	2.5
142.02541	2.7
145.06389	1.8
146.99706	2.5
147.04407	8.4
150.96826	3.5
152.04662	2.3
153.01837	8.2
153.05524	2.7
153.06987	2.5
154.07808	1.9
155.07027	77.6
163.03935	4.3
165.01791	3.2
165.05469	20.4
167.07076	2.5
169.06401	2.1
171.06531	5.0
173.08064	10.0
179.07007	8.0
180.04175	20.1
181.04951	65.9
181.08513	3.0
182.07225	2.0
183.06549	4.6
184.05182	3.0
187.07521	2.3
193.04964	24.6
195.06554	14.1
197.02956	2.9
197.05952	7.8
197.08058	12.0
197.09668	3.7
200.54314	1.7
207.06528	25.3
215.07039	2.3
222.04677	2.3
225.05455	2.6
225.07524	17.2
225.97844	2.2
231.05157	10.9
231.55463	2.5
237.02802	3.2
243.06424	9.9
243.08653	11.5
243.13788	2.6
243.17047	3.4
251.57520	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	2.1
57.03419	0.5
69.03419	0.6
71.58160	0.5
71.58533	0.4
73.02895	0.5
81.03418	0.5
84.66847	0.4
85.02873	0.4
93.71765	0.3
98.97574	4.3
98.98447	1.1
101.00858	1.3
109.02876	0.6
116.98620	5.4
119.01914	13.1
122.51675	0.4
123.24806	0.4
134.99661	4.2
137.02946	4.7
147.96944	0.4
152.31586	0.4
153.00807	1.0
154.94194	0.4
156.97479	3.4
158.97192	2.3
158.99899	0.9
161.02943	0.4
165.98012	1.2
168.97476	1.8
174.98611	0.9
176.96506	1.1
176.98294	4.1
177.00938	21.3
177.97978	1.7
178.01027	0.7
182.99977	0.5
183.97983	1.0
185.97003	0.7
189.97980	1.5
190.48137	0.5
195.01930	0.7
195.98050	0.5
197.47910	0.4
198.93636	0.5
198.98535	0.5
199.93713	0.4
200.98242	1.0
201.00958	0.8
201.02515	0.5
201.98061	0.5
207.94215	1.9
208.94121	0.6
210.98546	0.8
214.96527	17.2
215.96573	0.8
216.94762	7.5
216.96722	0.8
216.99547	0.4
217.04100	2.7
217.44843	3.7
217.94664	2.6
218.99501	1.6
219.01985	26.2
219.95026	0.6
219.99001	1.8
220.02086	2.2
220.49057	0.7
225.00867	2.5
225.95313	3.8
226.45358	1.4
226.95178	1.6
228.45563	3.8
228.95653	2.3
228.99611	1.1
229.45523	1.4
229.49573	0.8
232.97580	0.5
235.46484	0.4
237.46019	1.8
237.96063	0.7
237.98135	5.5
238.00305	0.7
238.45941	0.7
242.03525	0.5
243.01947	6.3
243.10355	0.5
261.03049	100.0
262.03171	3.1
263.03430	0.5
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
55.01849	0.9
65.03941	2.6
68.99780	4.7
70.99383	1.3
75.29536	0.4
81.03429	0.5
91.05482	1.0
95.04972	0.6
98.97588	0.5
100.71174	0.4
104.89642	0.4
107.04953	6.9
110.39080	0.4
111.04411	0.6
115.05454	1.3
117.07024	1.1
119.04955	1.0
121.02858	18.4
129.06964	0.4
131.04929	1.6
131.08557	1.7
141.05956	0.6
141.06979	7.7
144.05702	1.1
145.06465	1.8
147.04420	3.6
147.08005	2.3
149.02330	100.0
150.02672	1.0
157.06480	0.5
159.08026	2.1
167.03387	1.2
169.06465	9.3
169.07797	0.8
173.05956	1.6
185.05948	0.8
187.07524	3.2
190.76834	0.4
197.05962	11.8
198.06378	0.4
213.05507	1.1
215.07008	97.8
216.07417	1.9
238.22580	0.4
243.06516	50.0
250.29486	0.5
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
55.01861	7.9
56.96560	6.4
57.03439	15.3
59.05009	3.0
61.02920	8.4
70.64724	8.9
71.01346	9.4
71.04994	4.3
72.93782	7.1
73.02916	7.4
83.06086	3.8
85.02902	5.0
87.00806	3.1
87.04471	15.3
89.02372	6.6
90.94807	3.1
96.25554	3.2
101.02375	24.1
107.04954	9.3
111.00876	2.9
113.96391	3.9
115.03926	40.8
116.98624	2.8
119.01878	3.9
119.51887	2.6
123.04438	3.2
129.01836	23.8
131.97357	3.3
133.05002	3.9
143.03387	16.3
148.02007	3.1
150.01802	3.4
157.01331	42.2
157.02522	5.3
161.04420	15.0
171.02939	5.6
175.02406	4.2
189.03932	100.0
196.00829	3.4
196.24483	3.1
207.05124	5.1
227.95859	5.0
228.03413	3.3
242.15826	22.3
252.41479	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	242.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.2
53.03940	2.4
55.01880	0.9
67.05500	4.7
68.99780	0.9
71.24071	1.6
77.03905	1.5
79.05482	2.2
80.05003	1.8
81.03419	1.1
85.49008	0.9
91.05471	7.2
93.05790	1.0
93.07032	14.2
94.02925	4.0
94.06548	5.2
95.04964	15.4
96.04472	1.5
100.03978	8.5
104.04977	17.6
104.05642	0.9
105.03384	10.6
109.06532	2.1
120.04477	1.2
121.05221	2.0
122.06021	18.3
123.04426	2.4
124.03979	1.3
126.05505	10.8
132.03438	1.6
132.04443	33.3
136.07564	10.4
137.05977	17.3
138.05469	1.5
149.04697	6.8
150.05501	58.0
154.08633	1.9
164.07062	51.2
179.04784	1.0
182.08122	100.0
200.09190	10.2
224.09174	9.6
242.07994	1.6
242.10222	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	241.2162
Annotation	14-Hydroxy-12,13-dihydrosesquiterpineol
Peak:m/z	Relative Intensity
50.62485	3.1
55.05509	43.9
55.86117	3.3
56.96557	10.1
57.03440	5.6
57.07071	26.1
57.15163	3.3
57.91082	3.3
59.04991	3.3
61.89058	3.4
67.05206	4.4
67.05505	43.4
69.03426	4.0
69.07063	70.0
71.04990	32.7
71.08640	8.7
71.58961	3.5
71.59405	4.2
75.02663	6.8
79.05481	28.7
81.07054	94.2
81.94253	3.5
83.04983	4.8
83.08614	53.0
85.02881	5.3
85.06541	72.5
91.05467	14.3
93.03712	28.5
93.07034	68.7
95.04976	4.0
95.08603	97.8
97.06528	13.0
97.10162	22.6
98.97565	17.0
99.08092	21.2
99.08676	3.3
104.10735	4.1
105.07028	15.3
107.08595	87.7
109.06549	4.3
109.10152	76.9
111.08092	9.7
111.11696	5.1
113.09636	4.9
116.98616	13.7
119.08580	6.4
121.10142	100.0
123.11706	77.2
125.09607	6.4
133.10132	10.6
134.99660	13.7
135.11673	55.6
137.13226	24.0
139.11203	6.1
142.07780	6.8
143.00482	3.5
147.04382	14.7
147.11708	7.0
149.13260	66.7
151.14815	4.6
153.12665	5.7
158.99631	8.4
163.14818	21.6
165.16402	8.1
167.14334	35.9
168.08366	3.8
171.11671	4.2
177.00740	10.5
177.12755	4.2
177.16408	7.6
179.17972	10.7
181.15834	10.5
194.04041	3.7
200.02306	4.5
205.12236	6.0
205.19522	70.6
221.11098	4.7
222.52592	4.3
223.07668	4.1
223.13293	3.7
223.20546	81.0
224.09396	4.1
241.08589	36.0
241.19670	5.9
241.21657	51.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
52.65795	0.2
56.05028	0.3
56.96553	0.4
58.06597	18.3
60.16217	0.2
61.02913	0.5
62.35126	0.2
69.92781	0.8
69.93206	0.6
70.06583	2.8
72.08142	1.0
81.03408	0.7
82.52691	0.2
83.04939	0.2
84.08139	9.0
89.03079	0.2
98.06075	0.3
98.09689	1.5
100.11229	0.5
114.05500	0.4
116.07092	0.4
116.10723	0.4
126.05495	0.3
126.09090	0.3
128.10710	3.6
136.06136	0.4
144.10249	1.3
168.10252	1.1
196.09689	5.6
197.04543	0.3
213.15933	0.6
241.15457	100.0
242.15761	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	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.3
56.96544	0.4
57.03427	0.2
58.06597	18.7
69.71255	1.4
70.06592	2.7
71.04985	0.5
72.08155	1.1
72.36487	0.2
72.54381	0.2
78.29208	0.2
81.03412	0.6
84.08138	10.1
85.06543	0.3
90.86036	0.2
93.03688	0.5
98.06025	0.5
98.09690	1.5
100.11231	0.7
114.05499	0.3
116.07072	0.5
116.10748	0.3
126.05496	0.5
128.10706	4.0
132.88272	0.2
136.03625	0.2
136.10660	0.2
144.10225	1.5
144.86446	0.2
151.03703	0.2
153.01805	0.3
158.08093	0.2
168.10191	1.0
170.03523	0.2
196.09668	5.6
197.04581	0.3
213.15891	0.3
240.60426	0.2
241.15460	100.0
242.15843	1.4
259.33820	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	4.9
69.95503	1.8
71.10471	4.3
81.03414	3.2
85.02901	2.2
92.27094	1.8
98.97596	13.9
101.00890	2.0
116.98635	10.1
119.01920	2.9
134.99683	3.8
138.96423	4.2
156.97479	73.0
157.97488	2.2
171.98186	1.8
172.95279	3.2
174.87053	1.8
174.98532	100.0
175.98730	2.9
179.99077	5.2
180.97523	2.4
186.96898	2.3
198.00137	28.4
198.98541	29.5
214.96526	4.8
216.01149	16.7
216.94717	3.7
216.96426	34.0
216.99586	83.6
217.96257	2.2
217.99739	2.5
225.95274	4.9
226.45338	2.4
228.45529	4.8
237.46181	3.6
239.97960	14.3
240.01204	2.6
257.97690	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51249	4.8
55.05502	15.7
56.96558	27.5
57.07070	28.8
58.06593	13.7
58.11498	4.2
62.05547	4.7
67.05497	30.2
69.03419	6.4
69.07058	18.7
70.88095	6.6
70.88462	13.6
71.05006	26.8
71.05309	5.5
71.08614	11.9
79.05470	14.2
81.03374	8.7
81.07057	45.5
83.04951	5.1
83.08612	9.6
83.70660	4.4
85.06541	6.6
89.06021	9.7
91.05481	14.0
93.07030	9.4
93.62379	4.3
95.04951	9.5
95.06076	5.5
95.08594	38.1
98.97591	7.7
103.05455	20.7
105.07048	12.4
107.04934	16.7
107.08566	8.5
109.06507	7.3
109.10148	18.2
110.07139	5.6
111.04454	7.9
116.98627	7.8
119.08480	7.1
121.06523	6.1
123.04462	10.1
123.05466	6.0
123.11681	9.3
125.09636	6.4
131.04900	49.3
133.08604	7.5
133.10118	6.2
134.99750	8.1
135.08066	7.9
136.04675	5.4
141.06549	11.5
146.99643	7.1
147.04404	24.2
147.08014	6.6
147.95450	5.3
149.05980	19.9
149.09583	21.1
151.03873	5.1
151.11150	5.7
153.01834	33.0
159.04399	17.8
161.09590	7.5
163.03893	12.1
164.04225	25.1
172.95203	6.9
174.00754	14.4
175.03899	24.3
175.11134	7.4
177.05457	78.8
178.05765	8.5
193.05049	8.4
203.03329	28.0
221.04446	37.2
221.11659	6.0
239.05312	12.1
239.06367	4.8
239.08907	100.0
239.14001	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	238.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36506	0.7
56.96556	1.4
59.74743	0.7
67.05491	1.1
69.07054	2.9
71.04977	1.0
71.60397	1.0
75.02406	0.7
79.05479	1.4
81.07037	2.3
82.07414	1.1
83.04980	1.0
85.02888	1.1
87.19165	0.7
87.97820	0.8
91.05494	6.4
93.07028	1.1
94.06584	3.5
95.04958	0.8
95.08601	1.6
97.06532	1.0
98.97571	1.5
104.05009	0.8
105.03373	1.2
105.05803	0.8
105.07036	1.0
106.06551	1.8
107.07341	1.7
107.08616	1.2
109.06499	1.7
116.98583	1.3
117.05759	2.1
118.06545	7.0
120.04457	1.4
121.05222	3.1
124.03902	0.8
124.70750	0.7
128.04956	1.8
132.04453	26.2
133.05220	3.3
134.06013	3.4
134.10426	0.8
135.06799	13.9
136.07565	2.5
137.05940	2.7
138.05354	0.9
145.02782	1.4
146.06003	22.5
147.06789	33.0
148.03925	15.8
148.07549	2.4
149.01201	1.2
149.04716	29.3
149.05896	1.8
151.07553	1.1
162.05507	15.0
162.06764	1.4
163.06282	53.7
164.07063	90.8
165.07423	1.3
177.05490	2.1
178.08626	100.0
179.06978	0.9
179.08885	1.4
206.08101	9.4
238.10738	32.5
238.18350	0.8
238.22240	1.2
239.08928	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	238.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69218	0.3
55.05484	0.6
56.05019	0.4
56.96553	0.4
58.06586	1.7
63.02369	0.5
64.66978	0.3
70.06576	0.8
71.59422	0.6
72.08150	0.9
74.06074	1.1
76.07642	1.0
77.79182	0.4
79.05474	1.0
80.05821	0.4
81.03391	0.5
81.07038	0.4
83.04980	0.5
83.93434	0.3
89.03905	8.0
91.05479	3.2
92.05794	0.4
93.07001	0.4
95.04960	0.9
99.05573	0.3
103.05454	0.9
105.03374	0.5
105.07020	0.8
106.04134	0.4
106.06535	0.6
107.04930	0.5
117.03369	26.0
118.06550	0.8
119.04920	0.6
120.08085	1.6
121.06478	0.3
123.04414	0.4
133.06514	0.5
134.03612	1.5
135.04425	3.2
135.06366	0.3
137.66174	0.3
145.02831	59.3
146.03131	0.7
146.05956	1.4
147.04398	0.8
149.05968	9.0
150.05489	0.4
160.09378	0.4
161.94218	0.3
162.03033	0.4
163.03893	4.3
163.09929	0.6
166.08551	0.3
171.89821	0.4
174.05476	1.0
174.12791	1.2
175.03876	0.5
176.06955	0.7
177.05452	100.0
178.05865	1.0
178.10556	0.3
186.05467	1.0
192.06519	1.1
192.10139	0.5
192.13815	1.2
194.08191	0.5
202.64684	0.3
204.06465	0.4
220.09679	0.7
220.13400	0.4
238.05089	0.6
238.07108	0.5
238.10622	2.0
238.14427	1.1
238.18150	0.4
238.22218	0.3
239.08763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
56.96558	1.1
58.06585	1.2
58.69399	0.3
67.05496	0.5
67.43599	0.3
69.03420	0.5
69.07066	0.3
70.88636	0.8
72.08159	0.3
76.07620	0.5
78.04691	0.5
79.05484	1.0
81.07052	0.7
82.42592	0.3
84.17483	0.3
85.02892	0.3
89.03909	6.0
91.05470	0.9
93.07030	0.5
95.04971	0.3
96.08923	0.3
98.97588	0.8
103.05459	0.5
105.07034	0.3
106.04175	0.3
107.05010	0.3
107.08569	0.3
108.08927	0.6
109.06548	0.3
110.06805	0.3
116.98605	0.3
117.03376	23.2
117.07026	0.8
118.03681	0.3
119.04919	0.3
119.08512	0.3
120.08080	1.5
120.08833	0.3
121.06432	0.4
121.10114	0.4
121.44391	0.3
123.04426	0.9
124.05197	0.5
134.03607	1.5
134.06021	0.5
134.99658	1.0
135.04413	2.6
135.08098	0.3
137.05972	0.8
137.09592	0.4
140.05283	0.4
145.02837	62.1
145.06560	0.9
146.03177	0.7
146.81560	0.3
147.04333	0.6
149.05978	8.5
162.03200	0.4
163.03938	2.1
177.05463	100.0
178.05786	1.2
186.05490	1.4
192.10165	0.7
204.06517	0.4
220.09659	1.6
238.05276	0.7
238.10713	2.8
238.14720	0.3
239.09016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.0
58.06594	34.5
59.06929	0.3
63.02374	0.4
70.27016	0.3
71.32854	1.1
76.07636	31.6
79.05476	1.1
89.03911	7.2
92.63857	0.3
93.22726	0.3
107.04947	2.1
117.03363	9.3
123.39731	0.4
132.75778	0.4
135.04402	20.9
145.02834	14.7
145.03983	0.9
158.32851	0.3
163.03888	100.0
164.04199	1.2
180.12134	0.4
182.08148	0.4
204.15225	0.5
207.06529	9.0
238.10710	1.5
255.42068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1847
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03943	5.5
55.01860	3.8
55.05508	82.6
56.96553	10.4
57.03425	5.2
57.07067	5.4
59.05005	4.1
65.20935	2.1
67.05499	17.5
69.03413	7.8
69.07069	12.9
70.01457	4.2
70.01873	8.9
71.04987	38.1
79.05483	15.9
81.07054	47.2
83.04980	100.0
83.08595	6.3
85.02919	3.8
85.06525	5.4
91.05488	18.6
93.07040	32.4
95.04940	11.7
95.08602	23.7
97.02873	3.9
97.06523	19.7
97.10169	2.7
98.21366	3.6
98.97575	24.2
99.08089	3.4
103.05443	7.3
105.07017	34.2
107.04968	3.0
107.08590	33.0
109.06471	12.0
109.10162	30.6
111.08071	14.3
115.90283	2.4
116.20433	2.0
116.98606	17.3
117.07017	8.1
119.08555	10.5
121.06454	3.2
121.10147	45.8
123.08044	7.4
123.11708	21.3
125.09637	7.3
127.11200	9.6
128.06183	2.5
129.06961	3.3
131.04924	4.4
131.08563	10.2
133.10124	66.0
134.99628	6.4
135.08066	4.8
135.11694	15.5
137.05974	3.7
137.09604	3.9
139.11151	29.8
145.10114	17.7
147.11688	11.7
148.05150	4.5
149.02325	4.8
149.09573	4.3
149.13226	12.5
151.11165	46.3
153.12755	9.9
156.08006	9.6
158.99654	7.0
159.03326	2.5
159.11664	22.2
161.04803	2.6
161.13219	8.1
163.07516	4.5
163.11185	7.7
165.05486	3.3
165.08565	6.8
167.14389	4.3
173.13269	4.0
177.00665	12.4
177.12770	7.0
191.07071	15.9
191.17955	6.2
193.04921	6.4
198.09009	4.0
198.91280	2.4
201.16367	14.9
207.09682	3.8
219.06482	3.0
219.09865	3.9
219.17418	29.5
228.10121	12.2
237.07553	14.7
237.10768	5.7
237.14812	2.8
237.18512	45.5
237.22136	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	237.1847
Annotation	Atlantolone
Peak:m/z	Relative Intensity
55.01854	1.6
55.05508	11.0
56.96551	2.7
57.03413	1.1
57.07076	4.8
59.05005	0.9
65.03922	0.9
67.05502	14.3
69.03429	9.3
69.06715	1.5
69.07063	17.8
69.94582	4.0
71.04972	2.5
71.08609	1.0
74.69274	0.8
75.42437	0.7
76.53584	0.7
79.05131	0.9
79.05499	11.0
81.07055	44.9
83.04977	7.7
83.08609	5.9
85.06529	2.4
91.05471	7.9
93.07040	26.3
95.04964	4.8
95.08600	35.3
95.09527	0.9
97.06536	4.8
97.10149	3.0
98.21454	1.0
99.08105	0.7
105.07021	18.9
107.04931	3.0
107.08593	44.1
109.06515	15.7
109.10149	23.9
111.08062	7.8
113.09598	1.0
117.07040	4.0
119.08572	38.1
121.06499	9.7
121.10138	18.2
123.08057	18.1
123.11691	7.6
125.09641	4.5
130.07767	1.1
131.08557	8.9
133.10124	8.6
135.08049	61.7
135.11684	69.4
136.08414	1.0
137.09578	3.6
137.13258	13.2
139.11108	1.8
145.10109	21.7
147.11650	2.5
149.09610	9.2
149.13239	6.2
151.11147	2.2
153.12737	9.0
159.11678	13.4
161.12135	0.7
161.13237	22.3
163.11174	61.1
163.14832	1.7
164.11562	1.0
173.13284	3.3
175.13469	0.9
175.14842	8.4
177.12752	6.6
177.16418	3.3
179.10638	0.8
191.14227	1.7
191.17941	3.4
201.16359	15.5
219.17429	100.0
220.17751	2.3
232.09430	1.7
237.14763	2.9
237.18483	50.2
237.21922	3.8
238.18307	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.087
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
54.16445	0.2
55.05509	0.3
56.96550	0.7
58.06594	0.3
67.05494	0.2
69.07057	0.2
71.57980	0.3
72.08159	0.4
74.02442	5.2
79.05498	0.2
81.83139	0.2
83.04937	0.2
85.02918	0.2
86.01470	0.2
91.05467	0.6
93.07055	0.4
95.08617	0.2
97.37779	0.2
98.97549	0.3
103.05524	0.3
106.86749	0.2
107.04954	1.3
109.02888	0.2
114.35361	0.2
117.05853	0.2
118.06537	1.6
123.04462	0.3
128.04958	4.1
130.06519	0.5
132.04436	0.5
137.06049	0.2
146.06009	100.0
147.04474	0.3
147.06335	1.7
148.03926	1.0
158.06079	0.3
163.03894	0.6
170.65289	0.2
173.07161	0.4
174.05540	0.9
191.03354	0.2
191.08241	1.1
192.06491	0.2
201.06587	0.2
219.07684	1.1
220.06076	0.4
237.08759	2.2
237.22083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.128
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.7
57.05814	0.7
57.52503	0.3
62.46518	0.4
63.28883	0.3
68.99202	0.3
70.06591	3.1
71.51313	0.8
72.08151	81.9
90.09187	22.1
91.05473	4.3
94.81028	0.3
103.72041	0.3
119.04936	18.0
147.04399	100.0
148.04779	1.2
189.55206	0.3
191.07018	20.7
192.07259	0.4
205.13040	0.3
209.97523	0.3
236.12796	8.6
237.52396	0.4
243.94005	0.3
258.20914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0868
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
53.03920	0.7
54.80704	0.5
55.01863	1.0
55.05494	2.6
56.04991	0.7
56.96560	4.5
57.03416	1.7
57.07064	2.0
58.06587	1.3
61.83527	0.6
63.27213	0.5
67.05495	2.0
69.03418	1.8
69.07048	2.4
69.94687	3.2
71.04994	5.9
73.02945	0.7
74.02426	2.6
79.05474	2.0
80.04941	0.6
81.03404	1.2
81.07051	2.8
83.04999	3.0
83.08604	0.8
84.08147	0.7
84.96038	1.0
85.02893	7.3
91.05468	3.4
93.07025	1.8
94.06550	2.2
95.04922	1.3
95.08602	2.1
97.02879	1.4
97.06544	0.8
98.97561	2.2
103.05451	0.7
104.04972	0.8
106.06530	0.6
107.04932	1.5
107.08572	1.9
108.04423	1.1
109.02863	0.7
109.10149	1.3
110.06029	1.7
111.04376	0.7
116.98617	1.9
118.06538	7.4
119.04913	0.5
119.08564	1.1
119.11201	0.5
120.04468	2.1
120.08095	1.8
121.02811	0.7
121.06474	1.0
121.10153	1.8
122.06038	0.9
123.11700	0.8
125.09609	0.8
127.03906	6.6
128.04973	6.0
129.05446	0.6
130.06523	10.8
131.04965	0.8
132.04427	1.4
133.05209	1.1
134.99640	2.2
135.08041	1.0
135.11665	1.3
136.07568	4.6
137.05907	0.8
144.08080	0.8
145.07617	1.1
146.06001	100.0
147.04413	0.7
147.06355	1.5
147.08015	0.7
148.03914	14.1
149.06017	0.9
150.05513	1.9
153.01846	3.1
156.04448	0.7
157.07619	9.0
158.06047	1.0
159.09222	1.8
161.01208	1.0
163.03922	2.7
164.07060	2.1
164.98596	1.1
172.95210	1.0
173.02791	0.7
173.07088	4.5
174.05492	12.9
177.00635	0.9
178.05019	2.9
182.99588	3.7
190.96324	1.1
191.03432	1.5
191.08160	16.5
192.06560	1.9
201.00690	18.7
202.01099	1.2
202.04967	1.8
203.08128	6.4
215.95267	0.5
217.72783	0.7
219.01724	5.0
219.07623	1.3
219.20988	0.8
220.06123	4.7
224.02324	0.6
237.08856	7.1
237.14891	1.3
237.22035	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	236.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.0
55.01872	10.7
55.05503	3.4
56.05036	11.8
56.96567	67.0
57.03437	62.7
58.06594	11.7
58.96176	2.4
58.99876	4.5
59.04995	3.1
60.04520	11.6
60.95861	5.2
61.02929	100.0
69.03435	28.7
69.31243	2.6
70.06616	5.3
70.20893	10.2
70.98125	7.5
71.01359	10.9
71.04990	17.7
72.04518	13.6
72.08165	4.0
73.02918	29.7
74.06091	24.5
74.63620	2.4
74.97611	3.6
75.04478	8.8
75.99961	3.1
77.00892	2.4
81.03419	36.4
82.65232	2.9
83.00827	3.3
83.01350	4.8
83.04968	3.6
84.01553	3.6
84.04511	9.0
84.96054	14.9
85.02908	56.3
86.03689	14.3
87.04467	13.6
88.03999	6.5
88.99184	3.8
89.00781	4.4
90.09218	3.0
94.06567	4.0
95.04962	5.2
96.01545	6.6
96.04468	3.1
97.02880	25.4
97.96812	8.5
98.01321	5.6
98.06064	6.9
98.97587	37.8
99.04459	10.9
100.01008	4.4
100.03992	6.0
100.05237	10.1
101.00856	7.8
101.02400	3.4
103.02374	4.7
104.01332	4.6
105.02099	4.4
105.07151	2.6
106.01007	3.3
107.00170	2.6
107.04948	5.8
108.08094	3.3
109.02887	26.5
110.01261	13.1
110.06044	11.2
110.97581	7.1
112.99120	5.3
113.02437	5.8
114.05566	3.5
115.01575	4.4
115.02396	3.8
115.97851	5.7
116.01328	2.4
116.02130	2.6
116.98624	27.3
117.01982	10.9
118.01055	5.9
119.01871	40.7
120.00753	3.7
120.02005	6.5
122.06056	5.3
123.04456	4.2
126.02570	16.1
126.05546	5.1
127.01527	3.3
127.03952	13.2
128.02328	11.7
128.98578	13.2
131.00211	6.6
131.01886	11.8
132.00716	5.0
133.01654	2.8
133.03392	14.8
134.06009	4.0
134.99689	14.4
135.03099	21.2
135.03970	3.4
136.06198	3.1
137.02911	8.6
138.03041	3.0
139.01486	6.5
140.00441	2.8
140.07077	7.4
140.98590	3.1
141.01274	6.4
142.02972	5.2
142.96527	4.2
143.00168	7.5
143.01865	6.7
144.03592	14.3
144.99854	11.0
145.01564	3.2
145.03477	3.7
146.02373	7.5
146.03539	4.0
146.04965	4.2
146.06017	7.6
146.99609	15.4
147.01300	3.3
147.03116	6.2
147.05109	6.2
148.02039	5.8
148.03876	18.1
148.04916	5.5
149.01239	9.4
149.02937	4.4
150.01822	8.0
150.52000	5.7
151.04514	5.8
152.02315	4.0
153.02118	4.6
153.04175	5.3
154.03827	3.2
155.00179	5.6
155.02905	3.6
155.05585	6.7
156.99730	2.7
157.02527	5.5
157.04472	11.2
158.08151	2.9
158.99681	7.1
159.01253	5.9
159.52625	3.0
160.02098	5.5
160.97574	2.8
161.01230	12.4
161.02977	10.1
163.00858	3.5
163.02739	3.1
165.00737	7.3
167.01927	3.4
168.99872	3.1
169.02556	6.2
170.03288	2.6
171.04114	3.8
172.06093	3.4
172.97597	4.4
172.99219	2.8
173.01260	6.6
173.02972	6.7
174.02771	3.1
174.99152	4.2
175.02658	10.0
175.04419	4.3
176.03473	7.4
176.04851	4.6
177.00696	9.1
177.02432	9.6
178.03162	5.5
179.02242	4.2
184.03143	9.0
185.03943	9.5
185.54019	3.8
187.00894	7.1
188.02426	3.7
188.06096	4.1
188.97145	4.5
189.00647	4.3
189.02473	5.6
189.04266	2.7
189.06102	10.1
190.03023	7.5
190.98659	8.4
191.02237	6.9
191.03958	8.9
193.00076	5.1
193.03883	5.3
194.04442	7.7
197.02884	3.3
198.04730	5.9
199.03569	3.9
200.04332	6.0
201.00768	7.0
204.08746	3.8
205.00095	5.9
205.02011	3.0
206.98128	4.3
207.01860	3.9
208.04176	3.2
208.99745	3.3
209.05034	6.9
211.03667	2.9
215.02327	3.6
215.04724	3.3
218.08200	6.5
218.10323	7.1
219.01749	7.8
219.03586	3.8
220.04181	8.8
220.99631	3.0
221.04955	3.7
229.04723	6.1
233.03313	4.7
236.07489	16.8
236.11279	43.3
236.14897	47.0
236.17125	4.3
237.02786	8.2
237.06522	3.1
245.06004	3.1
251.04390	12.6
254.07874	5.8
255.03598	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	235.1691
Annotation	1(10),4-Cadinadien-14-oic acid
Peak:m/z	Relative Intensity
51.75604	1.1
53.03930	1.8
55.01851	1.2
55.05510	9.2
56.96566	10.4
57.06819	1.5
57.07071	24.3
59.04983	1.3
67.05496	16.6
69.06757	1.2
69.07062	11.7
69.79296	8.3
71.04979	2.5
71.08628	1.3
73.02903	1.2
79.05488	16.4
81.03391	2.0
81.07051	35.2
83.04979	2.6
83.08601	5.0
85.06516	3.7
91.05476	23.3
93.06480	1.4
93.07042	27.1
95.04939	5.0
95.08601	36.5
97.06504	6.4
97.10155	2.6
103.05451	1.7
104.72739	1.3
105.07024	44.9
107.04889	1.5
107.08582	33.0
109.06503	4.0
109.09448	1.7
109.10152	20.7
111.08057	2.6
115.05441	3.3
116.98642	1.6
117.06986	3.5
119.08571	27.7
121.06489	2.3
121.10120	14.0
123.04388	2.3
123.08044	2.9
123.11678	4.0
125.05974	3.2
125.09585	2.1
127.07516	1.5
128.06166	1.3
129.07002	1.9
131.08559	8.7
133.10123	96.6
134.99669	2.7
135.08014	1.9
135.11670	29.4
137.05919	2.2
139.07555	2.5
143.08559	4.5
145.06493	4.4
145.10121	4.8
146.07243	1.6
146.11020	1.5
147.08035	2.8
147.11690	21.4
149.13246	9.5
151.07486	2.3
151.11127	7.4
157.10124	3.6
159.11650	3.3
161.05971	2.0
161.09613	14.2
161.13228	9.2
165.09088	3.3
173.05962	2.6
173.13292	2.9
175.07584	2.5
175.11159	5.7
175.14798	10.7
179.10672	34.0
189.04271	2.9
189.12737	2.2
189.16373	74.9
190.16724	1.8
191.06967	2.2
191.17915	11.7
193.12184	1.7
199.14772	3.8
200.00578	1.3
205.04887	1.3
207.05412	3.7
207.08124	1.1
207.17422	3.3
217.08629	1.8
217.14095	1.3
217.15863	19.5
217.19527	4.1
235.09599	3.7
235.13084	3.9
235.16907	100.0
235.20654	5.1
236.17255	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1691
Annotation	Macrophyllic acid A
Peak:m/z	Relative Intensity
53.03930	1.7
54.75706	1.3
55.05511	7.4
56.05021	2.9
57.03423	1.8
57.05362	1.6
57.07066	14.2
59.04983	2.1
59.06924	1.6
66.94691	1.3
67.05500	11.9
69.03412	1.7
69.07061	13.6
70.71312	1.4
70.71662	4.3
71.04969	3.1
71.08611	2.1
74.06047	2.3
79.05486	10.3
81.03432	1.5
81.07053	29.5
83.04966	4.1
83.08600	4.3
85.02876	4.7
85.06532	6.2
88.07609	6.6
89.07961	3.7
91.05476	15.4
93.07029	24.4
95.04945	4.3
95.08598	21.3
97.06508	2.7
97.19859	1.3
98.97559	2.2
103.05449	2.1
105.07025	35.5
107.04956	2.7
107.08579	27.0
109.06498	7.3
109.10146	15.0
111.08022	3.0
117.07019	4.2
119.08567	36.3
121.06477	9.1
121.10151	15.3
122.08115	2.2
123.08049	7.4
123.11675	6.1
125.09608	3.2
128.06255	2.0
129.06947	2.1
131.08551	11.2
133.06450	2.9
133.10124	38.2
135.08028	3.8
135.11679	13.6
137.05951	2.0
137.09610	3.4
137.13234	4.1
142.07759	2.4
143.08548	8.3
143.33067	1.5
145.10088	11.3
146.07277	2.0
147.08043	12.3
147.11673	22.9
149.08588	1.7
149.09605	9.1
149.13234	4.5
151.07565	3.2
151.11150	2.4
151.14848	2.8
157.10109	7.2
159.11678	25.9
161.09610	18.2
161.13255	4.5
163.11221	4.1
165.09105	3.1
165.12790	2.6
171.11703	2.5
173.13258	4.3
175.11186	5.3
175.14813	57.8
177.12747	8.3
179.10640	11.2
186.18430	1.6
187.18881	15.1
189.12785	2.3
189.16362	21.8
191.07045	2.0
193.15767	1.7
199.14793	15.6
207.17453	1.4
217.15851	50.4
235.16922	100.0
235.20793	34.5
236.17189	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03941	2.8
53.51897	1.5
55.01868	2.5
55.05505	14.2
56.96564	6.5
57.03416	1.8
57.07073	16.3
59.04989	5.3
65.03930	2.7
67.05505	25.9
67.37824	1.4
69.03434	4.1
69.07066	17.8
71.04993	38.4
71.52044	3.0
73.06541	3.0
79.05484	16.0
81.07051	39.2
83.04975	7.6
83.08618	7.1
85.02890	3.0
85.06502	2.5
89.06036	10.7
89.07585	1.6
90.72375	1.7
90.77744	1.8
91.05476	24.7
93.07037	41.8
95.04963	19.7
95.08607	35.5
95.09147	1.2
97.02876	1.6
97.06528	6.9
97.10165	4.4
98.97591	11.2
99.08099	4.2
103.05438	1.7
105.03716	3.5
105.07029	61.9
107.04995	2.7
107.08592	84.4
109.06511	12.6
109.10159	48.5
109.10921	3.3
111.08074	20.6
111.11680	1.7
113.05981	1.9
115.05408	2.1
116.98619	6.3
117.07027	3.0
119.08576	54.2
121.06479	5.1
121.10143	27.4
121.11014	2.3
123.08082	8.2
123.11692	6.5
125.06007	2.3
125.09632	35.8
127.07554	2.4
127.11198	3.5
129.07031	1.9
131.08580	21.4
133.06471	2.8
133.10126	42.3
134.99657	1.9
135.08047	4.3
135.11688	33.3
137.06033	2.2
137.09625	5.7
139.07570	3.0
139.11279	2.0
143.08568	6.9
145.10114	26.3
147.08044	8.4
147.11682	100.0
148.12041	3.5
149.09639	8.4
149.13260	7.2
151.11130	2.8
153.12750	5.5
155.07207	8.4
157.10097	10.3
158.99622	2.7
159.11642	8.7
161.09576	8.8
161.13234	6.0
163.11168	4.1
164.07779	8.6
165.09045	3.9
165.12732	12.3
171.11728	3.5
173.13268	7.1
175.03973	2.0
175.11223	11.2
175.14825	16.2
177.00737	3.7
179.10683	10.4
189.16386	61.7
193.12213	3.0
193.15894	6.0
196.67383	1.7
199.14764	9.2
206.08792	2.0
207.17378	3.5
217.15883	40.7
217.19328	3.2
227.09383	1.8
235.05969	2.5
235.09682	2.0
235.16924	96.3
235.20685	4.6
236.17296	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	235.1691
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
51.94496	1.0
55.01859	2.5
55.05504	7.1
56.96544	1.3
57.07072	11.7
59.04983	4.7
67.05494	9.5
69.03408	3.9
69.07067	10.7
69.48911	9.5
70.67304	1.0
71.01344	0.9
71.04984	2.9
72.23753	1.1
76.18002	1.2
79.05484	8.1
79.83323	1.2
81.03401	2.3
81.07064	12.9
83.04955	2.5
83.08617	5.2
85.06525	3.6
91.05469	14.7
91.14192	1.0
93.07039	15.4
95.04968	6.6
95.08596	17.9
97.06513	4.9
97.10167	1.1
103.05429	1.3
105.07020	27.8
107.08585	27.3
109.06492	7.9
109.10148	13.5
111.08089	3.1
115.05434	1.6
117.07015	6.2
119.08575	88.7
121.06515	2.8
121.10129	11.7
123.04419	1.1
123.08033	3.5
123.11690	6.3
128.06209	2.5
129.06978	3.3
131.08554	13.5
132.05699	1.2
133.06482	2.3
133.10124	48.0
135.08029	18.7
135.08990	1.9
135.11682	6.7
137.09631	6.8
142.07742	3.4
143.08563	9.9
144.09393	2.1
145.10121	13.9
145.87233	1.0
146.07265	2.8
147.08002	6.6
147.11674	18.1
149.09624	3.9
149.13321	1.6
151.11197	9.0
156.09337	1.6
157.10123	11.4
158.10861	2.9
159.08041	1.6
159.11691	10.6
160.08792	1.5
160.12463	1.3
161.09621	31.7
161.13217	3.6
170.10876	1.6
171.11746	8.4
173.13263	19.5
175.11180	14.4
175.14793	18.6
177.12767	5.2
179.10646	15.9
184.12471	2.5
187.11139	3.5
187.14799	4.5
189.12775	1.9
189.16383	17.9
191.14275	1.7
193.15938	2.1
199.14810	11.8
202.13438	2.3
217.15863	100.0
218.16183	1.9
235.09402	1.8
235.16916	84.9
235.20654	3.0
236.17090	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34499	1.0
51.39666	1.0
53.03934	1.2
55.01875	1.2
55.05487	1.2
56.05028	2.7
56.96298	1.1
56.96562	20.2
57.03425	2.5
57.07072	27.7
58.06597	9.2
60.04509	3.0
65.03949	1.3
67.05482	4.0
69.03421	1.9
69.07059	1.6
69.65887	2.8
69.66312	6.3
70.08966	1.1
73.02874	2.1
74.05554	1.3
74.06030	1.5
74.97610	1.9
76.07641	1.4
79.05464	3.5
81.07055	3.5
82.03714	1.2
85.02898	3.6
91.05466	4.2
93.07006	1.6
95.04951	4.1
95.08603	3.9
97.02863	4.0
98.97562	5.0
104.04965	3.6
105.03384	6.8
105.07018	2.4
106.05014	2.6
106.06532	4.8
107.04954	3.0
109.02876	2.4
116.04935	2.3
116.98602	4.7
118.06495	1.6
119.06028	3.9
119.08585	1.7
120.04454	2.3
120.14804	1.2
121.02816	2.0
121.10143	1.6
122.06065	1.3
123.04433	3.1
132.04430	5.8
133.02823	6.0
133.05272	3.0
133.06665	2.3
133.07559	8.9
134.05994	18.2
134.99638	4.8
137.05962	1.7
139.03874	1.7
143.06033	9.7
144.04449	4.6
145.07549	2.9
146.05994	7.2
146.99635	1.9
147.04373	1.9
147.05554	2.9
147.11700	1.9
148.03960	1.6
150.05539	2.4
151.03911	1.9
153.01825	5.6
155.04802	1.7
155.06033	5.6
156.06757	3.2
158.99615	2.0
161.02362	4.6
161.04680	3.8
161.05956	1.7
161.07103	20.8
162.05492	100.0
163.03908	2.4
163.07462	1.2
171.05524	64.6
172.03918	4.0
172.06241	5.3
173.07088	10.6
174.05447	3.4
177.00706	2.1
178.99977	1.8
179.03410	2.2
179.10675	14.2
184.00450	2.2
188.97073	1.7
189.01898	6.8
189.06606	49.7
195.04987	1.6
199.02628	1.7
199.05173	2.5
201.99153	1.3
202.54739	2.5
205.04932	2.8
207.02957	6.8
211.93990	1.9
211.97614	1.8
217.01369	5.0
217.06082	48.9
217.08218	2.6
217.19400	1.8
222.04919	1.3
223.55176	1.6
235.02470	2.0
235.07275	23.0
235.09525	2.6
235.16907	59.2
235.20485	2.1
253.00189	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	234.1488
Annotation	Dexmethylphenidate
Peak:m/z	Relative Intensity
55.05513	6.9
56.96561	6.7
57.03439	2.0
57.07072	3.4
58.06586	4.6
58.11485	1.1
67.05495	2.6
69.03430	2.0
69.07064	23.3
71.34547	1.3
71.34879	2.5
72.08143	4.7
73.02897	1.0
76.12672	1.3
78.50865	1.1
78.70248	1.2
79.05503	3.5
81.07054	6.6
85.02881	1.7
91.05469	10.4
93.07050	2.8
95.04976	2.2
97.02872	2.0
98.97586	6.4
99.73925	1.1
103.05444	6.7
104.83006	1.1
105.03374	1.5
105.07018	8.3
107.04936	1.6
107.08593	3.9
109.06512	1.2
115.04053	1.1
115.05440	9.7
116.98618	4.2
117.07000	4.1
118.06591	1.9
119.04936	2.9
119.08580	1.4
120.08103	3.3
121.06474	1.7
121.10241	1.4
123.04421	17.2
128.06242	5.8
129.07013	22.9
131.04932	13.9
131.08621	2.1
133.06525	3.0
134.99664	1.5
136.06183	8.8
137.05989	7.6
139.03909	2.2
142.07828	3.1
143.04921	12.0
143.08554	6.8
144.05713	2.4
145.06490	5.8
146.06017	4.5
147.04431	16.7
147.08026	2.0
147.11635	1.2
148.05191	13.4
149.04776	2.1
149.05988	36.6
151.03902	2.0
151.07567	1.8
154.35287	1.2
157.06506	20.4
158.99683	1.8
159.08128	1.5
160.05191	6.1
161.05983	68.5
162.06770	12.4
163.07567	3.7
164.07065	100.0
170.07295	4.6
171.08031	6.7
171.11693	8.9
173.06036	3.5
174.06741	1.6
175.07549	71.1
176.08011	2.0
177.00711	3.5
179.10757	1.5
183.06772	4.3
184.05678	10.7
184.08760	1.7
187.07545	2.1
188.08365	3.7
189.00690	1.3
189.09082	7.7
192.07373	2.7
193.06224	4.5
199.11195	10.2
211.06444	2.7
214.06769	17.6
214.56966	1.5
216.10342	1.2
217.12242	78.9
223.06914	2.3
234.14935	84.9
234.18690	2.7
234.58139	1.5
235.05956	1.4
235.15009	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1899
Annotation	Gibbilimbol A
Peak:m/z	Relative Intensity
53.03930	1.5
55.01856	3.3
55.05503	12.9
56.96553	3.2
57.03422	2.4
57.07066	3.1
65.03927	1.2
67.05501	41.6
69.07059	8.7
70.68812	2.8
71.04982	3.0
74.89419	0.8
76.53034	0.8
79.05489	55.5
81.07053	44.3
83.04981	5.0
83.08626	6.6
85.06542	2.3
89.16304	0.8
91.05473	40.9
93.07038	60.0
94.07368	1.1
95.04964	5.7
95.08602	35.6
97.06527	8.8
97.10140	2.5
99.08080	1.8
105.07026	27.2
107.04974	1.9
107.08587	41.0
108.08960	1.4
109.06510	6.9
109.10150	13.4
111.08058	5.3
114.53881	1.0
115.05436	1.0
116.98581	1.0
117.07010	14.9
119.08575	23.1
121.06486	1.8
121.10140	58.7
123.08058	3.1
123.11687	4.8
125.09581	1.6
129.07007	3.3
130.07803	1.4
131.08563	35.1
133.10121	49.7
134.10478	1.3
135.08070	5.1
135.11682	26.2
137.09598	7.0
137.13252	1.2
139.03897	4.5
139.26860	0.9
143.08566	1.5
145.06509	1.2
145.09027	1.8
145.10115	25.4
145.48698	0.9
147.08012	0.9
147.11690	19.2
149.09627	5.2
149.13239	8.8
150.03105	1.4
151.11186	7.0
159.08040	1.8
159.10428	1.7
159.11691	25.8
161.13284	5.9
163.11209	2.4
170.65495	0.8
171.11653	1.9
172.05170	1.6
173.13251	18.2
175.14786	2.6
177.12810	1.3
187.07536	3.7
187.14806	9.6
189.16327	12.2
191.14227	1.5
191.17973	1.2
200.04634	1.0
205.15866	1.0
205.19513	1.8
215.06973	9.1
215.17946	85.1
216.18301	2.2
233.08031	6.6
233.15262	3.5
233.18990	100.0
234.19321	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	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
50.44165	0.4
55.05489	0.4
56.05033	16.8
56.96569	3.8
57.03436	2.5
57.07049	0.6
58.06601	3.8
59.19558	0.4
67.05498	0.5
69.03443	0.4
69.07080	0.5
69.76411	0.4
70.79592	1.1
71.05000	0.5
72.08165	0.6
72.93777	0.7
74.06075	100.0
75.04475	1.2
81.03398	0.5
81.07080	0.5
84.04053	0.5
84.04492	3.0
84.08136	0.6
85.02926	1.0
86.09700	24.1
90.94791	0.5
91.05474	0.7
93.07043	0.8
95.04975	0.5
97.06548	0.4
98.97596	0.7
101.07152	2.1
104.71606	0.4
105.07039	0.9
107.04961	1.2
116.98618	0.7
117.07011	0.6
119.00210	0.7
119.08620	0.6
121.06491	0.5
128.98599	0.6
131.08551	0.5
131.97401	0.9
132.10194	20.4
134.99683	0.8
142.12312	0.8
143.11806	0.9
145.10173	0.6
146.99678	0.9
149.96205	0.5
150.96918	0.8
159.11700	0.5
160.70294	0.4
165.00713	0.6
167.97208	1.2
169.13400	1.8
177.00623	0.4
187.08791	0.6
187.14397	9.1
190.98787	1.6
208.99779	1.2
210.04327	0.4
210.63872	0.4
210.97066	0.6
215.07027	0.4
215.13895	3.1
228.98015	0.9
233.08171	1.0
233.11557	0.7
233.15002	9.6
233.18878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1547
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01859	0.4
56.96556	0.7
57.03429	0.5
58.06596	7.9
59.06923	0.8
59.07381	1.5
60.08158	6.4
61.02931	0.3
65.05914	0.2
68.05009	1.2
70.06588	36.0
71.03407	0.4
71.03779	0.5
71.06948	0.3
72.08161	0.6
76.07626	0.7
77.07973	0.4
79.12738	0.3
85.02923	0.2
96.08142	1.7
98.06065	0.8
98.97598	0.5
99.04443	0.3
101.00866	0.4
107.04930	0.4
114.05521	4.0
114.09163	1.7
116.07095	1.0
116.98653	0.4
119.01910	1.6
124.07605	3.5
126.09151	0.9
137.03006	0.5
142.08626	30.9
143.09048	0.4
153.01823	0.5
154.02104	1.0
168.88263	0.2
170.08109	1.6
198.04796	0.7
229.15460	100.0
230.10342	0.3
230.15800	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1798
Annotation	3,6,9-Trihydroxy-4-megastigmene
Peak:m/z	Relative Intensity
55.01879	2.3
55.05509	68.2
56.96556	6.3
57.03428	5.7
57.07064	10.9
58.15364	1.4
59.05006	16.8
65.03944	2.2
67.05502	43.0
69.03421	16.2
69.07067	29.3
70.06573	1.8
71.04993	13.2
71.59874	2.3
79.05488	15.3
81.03402	2.2
81.07057	48.9
83.04980	65.1
83.08618	41.3
84.54453	1.6
85.06538	31.7
87.04472	4.0
91.05462	11.3
93.07037	31.4
95.04974	12.1
95.08608	44.9
97.02898	1.5
97.06532	4.9
97.10158	6.7
98.97580	15.3
99.04433	2.7
99.08090	18.3
101.06020	10.3
105.07028	17.3
107.04965	2.4
107.08590	47.9
109.06524	5.7
109.10155	100.0
111.08078	7.9
111.11700	2.5
113.06016	4.0
113.09651	2.2
115.05439	1.9
116.98632	16.9
117.07027	3.8
119.07784	2.2
119.08575	18.7
121.06491	2.8
121.10147	17.0
123.08066	4.3
123.11710	42.1
125.09618	21.0
127.07579	1.7
127.11193	28.6
128.06204	1.8
129.06975	3.7
130.07785	1.4
130.12274	2.3
131.08588	7.2
133.06467	1.8
133.10127	16.0
134.99658	12.6
135.08086	5.7
135.11684	31.3
137.09631	5.1
139.11153	1.6
141.07010	2.4
141.12770	2.7
142.07802	3.2
143.08537	3.6
145.06508	3.4
145.10121	11.4
147.11699	5.8
149.13237	15.7
151.03786	1.8
151.11180	13.6
151.14816	5.3
153.00778	2.4
153.06947	1.9
153.12740	7.9
155.08530	3.3
155.10666	1.8
157.10136	5.5
158.99617	8.1
159.08054	4.3
159.11674	11.0
161.09608	1.9
167.14323	36.8
167.15758	1.8
169.10126	3.5
169.10666	2.2
169.12230	37.6
169.13655	2.5
170.11008	2.0
171.11670	6.5
171.13835	2.9
173.06004	2.4
173.09653	8.9
173.13272	4.4
175.14835	12.8
177.00705	17.1
181.10092	2.8
185.13252	4.0
185.15379	6.2
187.11143	3.4
187.14868	2.9
193.15871	19.7
196.12489	5.5
199.11214	3.5
201.12822	1.9
201.16405	9.0
205.98747	2.2
211.11183	1.8
211.14877	9.2
211.16899	63.6
214.06422	2.5
214.13451	1.3
220.10382	3.8
222.40979	1.7
229.05043	2.7
229.08582	7.4
229.15999	26.0
229.18037	7.3
229.23546	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	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.0
57.03182	1.5
57.03437	20.3
57.07077	2.5
59.04983	4.8
59.94294	1.0
67.05505	100.0
69.03448	1.1
71.04987	3.4
79.05496	2.2
81.07057	13.9
83.08616	5.8
85.06526	4.5
87.56492	1.1
91.05479	6.2
92.21985	1.0
93.07034	5.2
95.08587	5.8
105.07037	1.2
107.08605	2.0
109.10152	83.6
110.10498	2.4
111.08054	3.3
119.08572	7.0
137.09628	3.6
155.10612	3.1
173.11740	24.8
194.57974	1.1
229.14311	19.2
229.16225	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.29471	0.8
55.05502	8.4
57.03435	18.0
57.07058	2.0
59.05000	6.5
65.03933	1.6
67.05502	100.0
68.05823	1.6
68.18832	0.8
68.33338	0.9
69.07061	2.1
70.06598	1.3
71.04977	4.9
79.05470	1.7
81.07051	14.6
83.08634	5.9
85.06530	3.0
89.22950	0.7
89.24783	0.9
91.05477	6.0
93.07041	2.4
95.04944	0.8
95.08594	6.4
97.06573	0.9
107.08597	2.0
107.45331	0.8
109.10150	90.2
111.08077	3.4
119.08565	6.4
137.09630	3.6
155.10701	3.3
173.11736	26.3
229.14320	19.7
229.23433	0.9
229.27081	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.05503	2.5
56.96568	11.1
58.06572	2.7
65.03945	5.5
67.05504	7.5
68.16905	1.8
69.03412	2.6
69.07045	9.2
70.06641	15.9
71.04977	6.3
73.49070	2.0
79.05470	5.5
81.07043	9.6
85.02889	3.9
85.06567	3.3
91.05480	100.0
92.05806	40.2
93.07054	10.0
94.08456	2.3
95.04934	6.0
95.08609	3.4
98.97576	8.2
105.07021	16.3
107.08579	5.1
109.06533	16.4
109.10120	5.9
110.97581	2.3
112.99123	5.5
116.27783	1.9
116.98589	7.4
119.01908	5.2
119.08588	5.9
121.10095	2.6
123.11597	2.2
125.07117	3.6
127.02521	2.3
128.98595	5.1
131.00145	6.1
131.08533	6.3
132.00455	2.6
133.10126	55.6
134.99686	3.7
137.05969	3.8
143.00124	2.9
145.03467	5.6
145.10117	4.2
146.87758	2.0
146.99626	5.6
147.11609	11.2
149.01198	7.4
151.07545	3.0
151.11180	43.5
155.07048	12.7
157.03470	5.4
157.10197	2.2
161.01210	5.8
163.04462	2.5
165.12708	3.7
169.03395	2.6
173.05971	2.9
173.13068	2.5
175.04398	3.0
175.11211	4.8
179.02260	3.1
185.01291	4.6
187.04489	5.2
193.12245	16.5
199.04474	3.6
203.02266	10.0
204.02573	4.2
211.07529	2.5
211.13246	19.9
217.55330	2.0
222.03947	2.1
229.05177	2.8
229.08507	5.7
229.15900	7.3
242.76445	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	228.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56826	0.7
53.03931	3.5
55.01870	1.7
56.96561	1.0
58.06592	1.0
65.03926	0.9
67.05500	12.5
71.03844	2.3
79.05496	15.8
81.03407	2.4
84.04480	3.6
87.92129	1.0
94.06561	9.9
95.04964	42.6
96.04495	1.8
97.02882	1.7
100.63872	0.7
105.03386	29.2
105.04478	1.6
107.04951	7.1
108.04483	2.0
109.02886	5.6
111.04432	1.3
112.03963	2.2
112.07554	0.9
122.06024	100.0
123.04422	30.7
123.06346	1.3
124.03948	4.9
133.02855	18.0
140.07043	0.9
148.79396	0.8
150.05499	35.5
151.03891	45.2
158.08101	1.9
168.06538	13.6
175.03967	0.8
210.07634	1.7
228.08655	61.1
228.23210	3.7
229.08948	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	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01858	2.8
55.05513	4.1
56.96555	7.6
57.07071	3.3
65.03924	4.6
67.05502	12.4
69.07069	19.1
70.06579	9.1
71.04977	8.2
71.59348	3.1
71.59714	2.3
77.35290	1.9
79.05504	4.8
81.07049	20.2
83.04966	5.0
83.08608	2.5
85.02876	3.1
85.06524	5.8
91.05479	100.0
91.21102	1.9
92.05816	33.9
93.07047	19.8
95.04964	7.4
95.08611	6.2
98.97583	7.7
105.07027	25.1
107.08596	9.4
109.06509	24.6
109.10150	8.4
110.97581	3.3
111.08036	2.6
116.98623	3.9
117.07006	2.7
119.01906	3.6
119.08551	9.4
121.10104	3.2
123.08034	3.9
125.07084	2.5
128.98599	3.5
131.00165	6.6
131.08537	10.2
133.06493	2.3
133.10124	98.4
134.10394	1.8
134.99631	4.8
137.02988	1.9
137.05981	5.4
145.03517	4.8
145.10065	5.3
146.99655	2.2
147.11665	25.9
147.99969	2.2
149.01198	6.6
151.03903	1.8
151.07516	2.2
151.09941	3.6
151.11180	69.7
155.07027	23.7
155.08298	2.6
156.18535	1.9
157.03500	3.9
159.11736	1.9
161.01198	6.2
165.12709	4.8
169.03528	2.5
173.06041	2.4
175.11154	8.6
181.03537	2.2
183.07990	3.2
185.01292	3.6
187.04486	5.3
189.00604	2.4
189.12741	4.9
193.12244	35.8
199.04492	3.9
201.05406	3.7
203.02242	9.5
204.02629	2.7
211.07559	3.9
211.13298	33.7
229.05069	4.8
229.08432	9.7
229.15924	3.9
230.15443	3.8
235.65417	2.2
245.03337	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	228.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	8.4
56.96554	9.3
58.06603	17.1
65.38808	2.8
67.05500	22.0
69.07061	6.4
69.79429	18.4
71.04976	4.2
72.08141	3.4
75.71054	2.7
76.07616	5.2
79.05495	4.0
80.42980	2.6
84.08129	3.7
86.09671	6.0
95.04964	100.0
98.21442	3.5
105.03364	4.4
107.04947	9.4
109.02870	11.5
111.04443	20.1
122.06017	6.7
123.04427	54.3
124.07599	3.1
132.88110	3.2
133.02762	4.6
134.99600	3.1
150.05493	4.3
151.03894	77.4
153.01828	11.0
168.06503	14.6
181.93063	3.1
191.60822	2.7
197.04332	3.0
205.98837	4.1
228.08673	8.0
228.23221	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.70007	0.6
56.05033	2.8
56.96561	6.3
57.03436	1.9
58.06599	100.0
61.02927	2.8
62.17988	0.6
67.05505	1.0
67.97882	0.7
69.03434	0.6
70.06606	1.3
70.81961	1.4
70.82333	1.2
73.02920	1.7
76.07639	33.0
78.73489	0.7
79.01858	1.7
79.05524	1.6
81.03413	1.3
82.01472	0.8
84.08139	24.3
84.96040	0.7
85.02895	1.4
85.08491	2.0
86.03678	0.6
94.06580	1.1
95.04963	3.0
97.02909	1.1
98.97578	11.8
98.98189	1.1
100.02512	1.9
101.00897	2.3
105.03382	3.0
109.02881	0.9
116.98615	9.7
117.56213	0.6
118.03545	1.7
119.01912	8.9
120.60011	0.6
122.06024	9.3
123.04431	2.6
125.02396	1.9
127.01505	0.8
128.02348	0.8
131.01883	1.3
133.02745	1.1
133.03610	0.9
133.43158	0.6
134.99675	4.6
137.02963	2.5
143.03435	3.7
144.99908	2.2
146.99702	0.8
150.05455	3.4
151.03877	3.0
153.01825	46.3
154.02147	0.9
158.99704	0.7
163.02861	0.9
165.00748	0.9
168.01518	0.8
168.03371	1.1
168.06609	1.4
168.99933	1.6
172.99387	2.5
174.04446	1.2
177.02435	1.0
178.04933	0.8
186.04420	3.3
187.00951	2.0
191.00310	0.6
196.00888	4.7
197.04448	33.7
200.06017	2.6
204.05510	1.8
205.01936	1.2
214.02042	2.7
215.00383	1.1
217.09264	0.6
218.06978	0.9
220.05042	0.8
222.06505	0.8
223.01241	1.1
228.03513	1.4
228.05400	5.0
228.08649	11.4
228.10655	1.0
228.14246	0.7
229.15549	2.5
246.06505	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	228.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
56.05030	2.8
56.96564	0.8
57.03436	2.3
58.06597	100.0
60.08162	1.6
61.02922	2.3
62.48257	0.4
69.03421	0.9
69.59883	0.3
70.06228	0.7
70.06588	6.0
70.44460	0.7
70.44836	0.7
71.01340	0.3
71.05016	0.4
72.08165	0.4
73.02908	0.9
76.07639	34.8
77.00925	0.5
79.01837	2.3
79.05516	0.9
81.03422	1.0
83.06082	0.5
84.08137	4.1
85.02903	0.8
85.08470	1.3
86.03690	0.9
94.06578	0.6
95.04965	1.6
96.08113	0.6
97.02871	0.8
97.71585	0.3
98.97569	1.4
100.02480	0.7
100.05230	0.7
101.00909	0.6
105.03402	1.7
107.01303	0.5
109.02907	1.1
114.05566	0.7
116.98604	0.7
119.01915	3.8
122.06032	4.1
123.04439	1.1
124.03753	0.4
124.07597	0.8
125.02330	2.1
127.04030	0.3
128.02287	0.4
128.98624	0.4
131.01857	0.4
133.03528	0.7
137.02928	0.8
142.08623	5.6
143.03389	3.8
144.99826	0.5
150.05508	1.2
151.03891	0.6
152.03088	0.6
153.01823	47.7
154.02127	0.8
157.03496	0.4
159.03940	0.4
163.04523	0.4
168.06519	0.7
170.08208	0.6
172.99274	0.4
175.00922	0.4
177.02245	0.4
186.99261	0.3
187.00865	1.2
187.02448	0.4
196.00945	1.5
197.04443	32.7
198.04671	0.5
205.01979	0.5
207.07027	0.6
214.01917	0.5
215.00270	0.5
228.08630	7.9
228.10666	0.7
228.14156	0.5
229.15475	18.6
235.06580	0.4
246.06529	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.02155	5.7
53.03921	8.9
55.01850	7.4
55.05500	20.5
56.96550	24.8
57.03417	26.3
58.17931	5.7
62.68211	5.7
67.05496	20.9
69.03124	6.3
69.03431	66.5
69.07063	50.5
69.60714	49.4
70.11350	5.4
71.04971	26.0
73.02924	7.9
79.05485	27.9
81.03408	13.6
81.07050	100.0
83.04948	16.4
83.08597	14.0
85.02916	36.5
85.06523	17.2
87.04446	22.0
91.05465	24.5
93.07043	44.0
95.04982	14.3
95.08606	38.8
97.02877	40.3
97.06509	13.2
98.97583	56.1
99.04427	27.5
99.08080	17.5
100.11253	17.9
103.05457	6.8
105.07027	88.3
107.04939	18.0
107.08593	78.6
109.06493	24.0
109.10128	39.8
110.97560	11.8
111.08050	10.9
111.11716	12.1
115.03903	20.7
116.98631	38.7
119.01925	9.9
119.08593	14.1
121.06496	28.3
121.10137	48.6
123.08047	28.6
123.11687	19.8
125.09592	21.1
128.98592	18.3
131.08551	21.1
133.10178	30.5
134.99623	9.3
135.08026	17.9
135.11674	13.4
137.09608	14.1
143.01915	10.4
145.10117	7.7
146.99641	11.2
147.11671	10.9
149.09618	39.9
149.13252	29.9
151.11172	26.0
153.09059	11.6
158.99605	11.5
161.01231	8.8
161.02945	20.8
162.04369	21.1
163.14806	30.8
167.07030	18.2
171.04915	73.1
173.13264	27.3
177.00728	12.9
179.03813	15.3
182.55727	7.3
189.00627	6.2
191.14366	42.4
197.04860	16.6
209.15396	42.5
219.01753	18.1
221.04810	11.4
227.16441	7.8
228.06476	11.8
237.02892	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.85080	1.4
53.03930	4.6
53.95728	1.6
55.01862	4.3
55.05505	24.8
57.03422	5.2
57.07072	8.6
59.04982	4.7
60.55622	1.4
61.02938	2.4
65.03917	2.2
67.05505	37.8
69.03426	28.7
69.07063	38.8
69.28900	8.2
69.29333	7.8
71.04989	51.3
79.05487	52.0
81.03404	7.5
81.07050	76.7
83.04977	22.4
83.08615	14.3
85.06536	61.4
85.06908	0.9
87.04461	2.7
89.32869	1.5
91.05472	25.3
92.90807	1.3
93.07036	49.7
95.04977	15.0
95.08598	43.2
97.06522	14.1
97.10159	17.3
98.20695	2.6
99.04452	32.1
99.08095	12.9
100.11257	3.4
105.06287	1.8
105.07026	32.7
107.04946	16.2
107.08585	100.0
109.06521	15.3
109.10147	40.7
111.04446	7.7
111.08080	17.8
113.06006	1.5
115.07555	8.0
117.07006	7.2
119.08559	18.3
121.06494	20.2
121.10136	45.8
123.08050	14.6
123.11703	14.8
125.05976	6.3
125.09620	29.2
129.06999	3.6
129.09088	3.7
131.08562	41.9
132.08896	1.8
133.10130	19.2
135.08051	23.8
135.11664	13.4
137.09610	13.0
139.07597	2.9
139.11159	2.9
143.08528	2.9
143.10678	7.0
145.10103	19.1
147.07990	2.6
147.11659	14.9
149.05934	2.5
149.09618	47.0
149.13240	18.3
151.11166	26.9
153.05534	1.6
153.09073	5.6
155.06998	2.9
158.10869	2.2
161.13394	1.8
163.07626	1.4
163.11153	12.6
163.14809	20.8
165.05513	2.5
165.09081	6.5
165.12727	14.6
167.07121	7.7
167.10667	15.1
169.12187	3.1
173.09576	2.7
173.13264	26.3
179.14346	2.0
181.04950	1.5
183.13812	3.3
191.10651	27.0
191.14288	29.5
209.08012	1.6
209.11760	23.3
209.15334	20.0
227.12814	9.2
227.16331	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.01869	7.6
55.05503	30.3
55.68871	6.4
57.03431	9.8
57.07065	21.6
59.05024	5.8
59.88386	6.0
67.05497	48.9
69.03419	21.1
69.07068	75.2
69.37757	67.7
71.04998	44.1
79.05482	40.5
81.07051	55.4
83.04974	14.9
83.08607	21.5
85.02918	7.4
85.06541	71.5
91.05457	34.4
93.07037	58.2
95.04967	18.2
95.08601	60.9
97.06518	12.4
98.21489	14.2
99.04456	64.4
99.08089	7.7
100.11247	39.7
105.07027	41.4
107.04946	15.8
107.08601	100.0
109.06522	20.0
109.10171	49.5
111.04436	10.7
111.08101	9.0
111.09250	6.1
111.11708	16.0
119.01895	22.0
119.08573	24.0
121.06489	25.6
121.10139	49.2
123.08092	31.3
123.11687	31.6
125.09615	13.2
131.01918	8.6
131.08543	47.4
133.10123	42.1
135.08047	20.5
135.11708	17.0
137.02809	6.5
137.09575	10.8
139.11061	7.6
143.01889	13.2
145.10106	24.1
147.11595	10.9
149.06003	12.5
149.09631	47.7
149.13254	27.0
151.11168	37.5
153.09137	8.0
155.08127	9.2
161.02980	23.8
163.11150	14.0
163.14813	40.8
167.07022	57.8
167.10658	23.0
169.17023	5.7
173.09756	6.2
173.13292	30.8
183.13766	7.6
185.09270	7.5
191.10672	22.4
191.14372	36.6
209.11758	20.7
209.15268	64.4
227.12704	14.1
227.16420	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
54.78453	0.9
55.01859	1.9
55.05507	18.4
56.96555	2.0
57.03418	1.5
57.07055	2.8
59.32115	0.9
61.02911	1.1
65.21579	0.9
67.05499	3.9
69.03429	3.1
69.07064	6.8
70.06556	1.1
70.99265	1.5
70.99609	2.0
71.04994	2.4
71.08616	1.1
73.02906	1.2
79.05495	4.6
80.87975	0.9
81.03401	1.3
81.07062	4.6
83.04985	2.4
83.08616	11.5
84.08129	0.9
85.02915	1.9
85.06538	4.6
86.09702	1.1
88.77290	1.0
91.05465	4.4
93.07044	7.2
95.04970	7.2
95.08627	5.7
97.02915	1.1
97.06545	3.0
97.10157	1.4
98.97568	2.1
99.04430	1.5
99.08072	2.3
100.11251	100.0
101.06010	1.2
101.11567	1.6
103.05461	1.2
104.66956	0.9
105.07008	3.3
107.08574	6.3
109.02857	0.9
109.06469	2.2
109.10143	5.7
111.04421	1.3
111.08074	2.3
115.03954	1.6
116.98603	1.9
117.07062	1.1
119.08592	3.7
121.06516	2.1
121.10130	6.5
123.04403	1.8
123.08107	1.5
123.11724	1.6
125.06042	1.2
125.09627	2.2
129.05399	1.1
131.04921	1.2
131.08562	4.2
133.10133	8.9
135.08075	2.3
135.11708	1.7
137.05954	1.8
137.09604	2.7
139.08644	1.7
140.04671	1.2
141.73068	0.9
145.10094	2.0
147.11682	2.1
149.09625	2.4
149.13242	3.5
153.09094	1.1
155.07027	1.4
161.13200	1.2
163.14774	2.7
167.07021	13.0
167.53809	0.9
173.13237	5.8
177.00677	1.2
177.05478	2.1
179.14268	1.3
181.04927	7.1
191.14272	6.9
201.17830	0.9
209.08109	2.2
209.15154	5.4
209.16533	12.5
227.07149	1.1
227.17651	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1639
Annotation	Annuionone G
Peak:m/z	Relative Intensity
50.24207	2.0
53.03953	2.9
55.01866	6.8
55.05507	30.3
55.57391	2.6
56.96563	6.6
57.03426	10.7
57.06863	2.2
57.07077	24.2
58.06600	3.3
58.24622	2.1
58.94883	2.1
65.03932	3.9
67.05499	37.0
67.83369	2.5
69.03423	48.8
69.07066	33.9
71.04991	29.6
71.59566	3.5
73.02894	3.0
79.05479	41.1
81.03419	6.7
81.07050	26.3
83.04976	26.1
83.08630	15.7
85.02895	5.3
85.06537	100.0
91.05471	39.6
93.07047	51.6
95.04959	38.5
95.08591	23.6
97.02879	5.7
97.06519	20.4
97.10168	10.9
98.97577	4.7
99.04426	6.7
99.08085	15.6
100.11245	39.3
102.07835	2.3
103.05489	6.2
105.07026	35.3
107.04954	18.8
107.08589	61.7
108.13769	2.6
109.06527	12.8
109.10155	18.0
111.04426	18.8
111.08076	5.2
114.10700	2.5
115.03915	33.0
116.06177	2.4
116.98649	3.1
117.07019	9.6
119.08562	25.8
121.06509	27.7
121.10142	40.5
123.04424	7.9
123.08061	10.0
123.11708	7.2
125.05996	17.3
125.09630	11.3
127.07548	6.0
129.05495	12.7
129.06999	8.4
131.04941	11.2
131.08559	79.4
132.08858	3.1
133.06456	2.5
133.10126	18.5
134.03627	2.7
135.04362	4.0
135.08028	7.3
135.11671	14.0
137.06004	9.3
137.09624	10.4
137.13200	3.1
139.07539	3.6
139.11208	6.2
140.04686	3.4
141.05449	3.1
141.09061	2.8
143.07043	10.0
143.08560	3.0
143.10635	3.0
145.08525	2.8
145.08932	2.5
145.10123	32.6
147.08026	5.8
147.11674	10.1
149.05969	12.3
149.09610	67.4
149.13264	7.4
151.11166	3.6
153.01837	6.1
153.05440	5.8
153.09131	18.3
155.07027	5.1
157.08525	2.5
161.13258	3.2
163.07527	5.9
163.11182	23.1
163.14838	20.5
165.09079	14.5
165.12761	2.6
167.07025	68.8
167.10674	37.1
171.10146	7.1
173.09653	11.5
173.13295	11.0
177.05521	13.5
179.14304	9.2
181.04941	3.2
181.08566	3.0
191.10661	61.0
191.14291	21.7
197.15335	15.3
204.84247	2.8
209.08162	8.5
209.11710	48.2
209.15131	22.5
210.12042	3.9
227.07011	4.4
227.12672	19.8
227.16194	26.6
228.08571	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
53.61123	1.3
55.01874	1.7
55.05505	4.4
57.03428	3.0
57.07065	5.6
61.41785	1.1
64.04195	1.2
67.05164	2.5
67.05497	26.0
69.07053	5.8
70.25024	5.1
71.04990	15.4
75.11794	1.2
77.39033	1.2
79.05487	25.3
81.07050	6.3
83.04981	6.3
85.06537	100.0
91.05479	16.6
93.07037	22.9
95.04976	7.3
97.06525	3.5
98.21528	1.8
99.08077	4.3
100.11185	1.5
105.07019	20.4
107.04951	10.5
107.08586	30.9
109.06490	5.6
111.04424	14.2
115.05495	1.3
116.06178	1.2
117.06975	6.1
119.08569	16.6
121.06503	15.0
121.10130	21.9
123.04408	3.0
123.08100	1.7
125.05956	6.5
129.07011	5.1
130.07768	2.8
131.08559	66.2
133.10188	1.2
135.08025	2.0
135.11705	6.4
137.09636	5.9
139.07590	1.9
141.05568	1.3
145.10112	29.7
147.08028	6.0
149.05948	2.9
149.09608	61.4
153.05444	2.7
155.07019	2.7
163.07568	2.2
163.11160	22.3
165.09119	13.7
167.07034	4.0
167.10658	29.6
173.09569	9.4
179.10709	1.7
191.10658	56.8
209.09741	2.6
209.11713	42.4
227.12738	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	227.1274
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.92484	1.3
55.01860	3.2
55.05500	1.9
57.03419	1.6
57.07071	7.4
62.21177	1.6
66.01055	1.4
67.05162	2.6
67.05497	29.8
67.65003	1.4
69.07049	4.9
69.93327	2.5
69.93733	5.8
71.04990	18.9
75.43075	1.4
79.05487	25.7
81.07036	5.5
83.04964	5.5
85.06533	100.0
91.05465	16.4
91.74016	1.5
93.07030	19.0
95.04946	5.3
95.08593	2.5
97.06510	4.0
99.08081	3.5
105.07026	15.7
107.04934	10.2
107.08585	28.3
109.06495	5.0
111.04421	12.9
117.06985	5.8
119.08582	18.0
119.50260	1.3
121.06516	17.3
121.10122	19.5
123.04413	1.9
123.08080	2.0
124.50187	1.6
125.05990	5.8
129.06985	6.0
130.07736	2.8
131.07578	3.8
131.08554	66.7
133.10094	1.6
135.08008	2.1
135.11665	5.7
137.09593	4.1
139.07521	1.8
143.06950	1.6
145.06458	2.5
145.10092	26.9
147.08049	7.7
149.05946	3.6
149.08406	3.5
149.09601	67.3
153.05446	3.2
155.07050	3.7
155.08524	1.8
163.07504	2.5
163.11159	24.3
165.09103	10.7
167.07007	2.1
167.10654	29.7
173.09569	7.7
179.10759	1.8
191.10654	60.8
197.11693	2.6
206.07559	1.5
209.11702	54.8
227.12764	20.3
244.56580	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03939	3.4
53.77649	0.9
55.01868	5.2
55.05510	21.5
56.96557	2.3
57.03441	5.8
57.07075	10.9
59.04986	4.0
61.02914	1.4
65.03920	3.1
67.05505	42.7
68.94813	1.0
69.03073	1.4
69.03427	26.2
69.07066	32.1
69.32670	5.6
69.33098	4.2
71.04992	53.6
71.08615	0.9
73.02901	1.5
77.03925	1.2
78.04725	1.3
79.05491	54.1
81.03422	7.3
81.07053	49.1
83.04976	20.2
83.08624	13.8
85.02898	2.6
85.06541	100.0
87.04463	2.3
91.05477	34.7
93.07041	48.5
95.04962	15.1
95.08599	32.4
97.02867	1.8
97.06534	11.0
97.10171	13.8
98.21497	1.6
98.97587	2.2
99.04449	41.5
99.08076	9.7
100.11246	9.1
103.05453	4.8
105.03424	1.5
105.07026	37.0
107.04952	17.5
107.08591	88.0
108.08848	1.1
109.02816	1.1
109.06517	15.1
109.10153	23.9
111.04442	13.6
111.08077	10.2
113.09634	1.6
115.05461	1.2
115.07568	5.0
116.98611	1.7
117.07012	8.8
119.04911	0.9
119.08575	22.9
121.06503	25.6
121.10139	43.0
123.04419	5.8
123.08066	12.3
123.11700	10.2
124.05246	1.0
125.05997	9.6
125.09618	20.1
127.03879	0.8
129.07005	6.8
129.09094	2.3
130.07732	1.8
131.04900	2.0
131.08562	68.5
133.10124	19.1
134.99648	1.4
135.04417	2.5
135.08037	18.3
135.11688	13.1
137.05988	3.6
137.09613	12.9
139.07533	3.8
139.11154	2.3
140.04662	2.0
141.05455	1.8
143.07025	1.7
143.08546	2.7
143.10663	3.1
145.06468	1.9
145.10118	31.0
147.08046	6.1
147.11676	12.8
148.05139	0.9
149.05995	7.1
149.09613	68.8
149.13228	12.0
151.11180	14.7
152.04688	1.2
153.05482	3.3
153.09164	4.5
155.07011	6.5
155.08591	1.1
158.10895	2.1
161.13318	1.5
162.49373	1.0
163.07564	2.5
163.11179	24.5
163.14832	13.4
165.09132	10.6
165.12752	8.2
167.07031	37.8
167.10675	34.1
167.99348	0.8
169.12279	2.2
171.04942	2.3
173.09621	6.6
173.13242	16.6
177.00711	1.2
177.05486	7.6
178.06314	1.0
179.10745	1.4
179.14397	1.2
181.04964	2.8
181.08577	1.0
181.12288	1.1
183.13814	5.1
191.10666	53.0
191.14297	19.5
197.11743	1.5
209.08073	3.9
209.11728	47.2
209.15170	11.8
227.07155	1.3
227.09132	0.9
227.12779	18.0
227.16194	10.7
228.12946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
52.14164	0.7
53.03944	0.9
55.01865	6.7
55.05505	1.7
65.03942	6.1
67.05499	2.3
69.03409	1.5
69.61070	3.6
69.61491	1.8
73.02915	38.9
79.05495	1.2
80.03930	0.7
82.04189	1.5
83.08594	0.8
85.02891	3.7
85.06538	1.5
91.05473	2.3
93.03415	1.5
93.07031	1.8
95.04961	5.8
97.02872	0.9
97.06510	1.6
98.21444	1.7
99.04459	1.0
100.11250	2.7
103.05437	0.9
105.07031	0.8
107.04950	0.8
108.02081	0.9
110.03645	4.1
111.04441	2.2
111.41571	0.8
121.06549	1.5
121.10030	0.8
123.04449	8.8
125.02354	3.0
125.05960	1.9
131.08521	1.5
138.03085	1.8
140.04677	52.2
142.02640	2.2
153.05421	1.8
155.07027	58.8
167.07036	4.1
171.06525	5.7
173.08064	4.9
177.05505	0.9
179.07031	3.4
181.04955	100.0
181.08479	3.1
182.05267	2.0
209.08098	20.7
227.09160	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03947	2.4
55.01860	4.6
55.05509	12.9
56.96555	2.6
57.03446	3.5
57.07076	9.3
65.03927	2.6
65.20480	1.6
67.05505	30.1
69.03430	4.4
69.07062	17.1
71.04993	20.7
71.58608	2.8
77.03896	2.0
79.05484	33.9
81.03398	2.4
81.07050	21.5
83.04977	10.9
83.08625	9.2
85.02894	2.2
85.06538	100.0
91.05476	26.4
93.07043	35.9
95.04970	10.9
95.08597	12.2
97.06521	7.1
97.10142	2.9
99.04440	6.0
99.08086	5.3
100.11243	14.2
103.05432	5.2
103.44237	1.8
105.07027	24.0
107.04963	15.6
107.08585	56.2
109.02882	2.1
109.06499	5.2
109.10144	10.0
111.04438	15.7
111.08072	3.2
113.06009	1.7
117.07029	4.8
119.08576	21.9
121.06509	22.7
121.10141	34.5
123.04433	6.1
123.08034	4.1
123.11731	2.3
125.06004	12.7
125.09594	4.3
127.03899	2.3
129.06985	6.2
130.07784	2.4
131.08562	71.9
133.10133	3.9
135.04337	2.6
135.07994	5.7
135.11688	10.7
137.05937	7.4
137.09612	6.6
139.07492	5.5
139.11159	2.7
140.04706	3.1
141.05402	2.1
145.10107	29.4
147.08034	4.4
147.11647	3.0
149.05974	8.9
149.09618	68.5
153.01726	2.0
153.05469	7.2
153.09050	4.6
155.07030	3.5
162.64236	1.7
163.07556	4.5
163.11154	27.7
163.14825	28.9
165.09113	9.2
167.07048	44.0
167.10687	37.8
173.09616	6.9
173.13246	2.6
177.05440	15.0
181.04996	3.2
191.10660	57.9
191.14290	8.2
194.05667	2.8
195.06464	3.3
195.08072	3.7
207.94572	1.7
209.08191	11.3
209.11729	54.3
209.15154	12.5
227.07083	2.8
227.10640	5.7
227.12640	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.81923	0.5
53.03927	1.8
55.01668	0.5
55.01870	5.7
55.05501	3.8
56.96557	0.9
57.03426	1.2
57.07062	0.7
58.06586	0.6
59.28074	0.5
60.02929	0.6
65.03937	7.0
67.05231	0.5
67.05508	5.5
69.03407	2.4
69.07076	2.8
70.74847	0.6
70.75211	1.6
71.04975	1.9
73.02914	36.8
79.05488	3.4
81.03419	1.4
81.07034	2.4
82.04177	3.3
83.04970	1.2
83.08592	2.0
85.02907	5.0
85.06541	3.0
91.03961	1.0
91.05475	4.5
93.03396	1.8
93.07024	3.9
95.04964	8.2
95.08587	1.0
97.02864	1.6
97.06512	3.5
97.10160	1.1
98.97565	1.8
99.04469	0.8
100.11248	14.2
103.05466	1.6
105.04528	0.7
105.07035	3.6
107.04947	2.6
107.08595	4.0
108.02082	1.6
109.06499	2.1
109.10155	1.3
110.03658	4.3
111.04432	2.9
111.08087	0.7
114.90463	0.6
116.98588	1.8
119.04943	0.8
119.08549	1.7
121.06516	2.6
121.10128	1.9
122.06004	1.0
123.00803	0.5
123.04428	9.9
123.11683	1.1
125.02346	2.6
125.05983	3.0
125.09615	1.1
131.04909	0.8
131.08546	2.6
133.10118	2.2
134.99727	0.9
135.08046	0.9
135.11633	0.8
137.05957	0.8
137.09624	0.9
138.03079	2.0
139.03911	0.9
139.07578	0.7
140.04677	51.6
141.05037	1.0
142.02563	2.6
145.10139	0.9
146.99586	0.8
147.07935	0.6
147.11714	1.3
149.05965	1.1
149.07036	0.7
149.09616	2.3
149.13187	0.6
151.03883	0.9
153.01823	0.8
153.05428	1.8
153.09061	0.7
155.07025	55.8
156.07378	1.0
163.14662	0.7
165.06773	0.6
167.07047	4.5
167.10640	1.0
171.06519	7.7
173.08104	5.7
173.13203	0.9
177.00571	0.9
177.05481	1.4
179.07005	3.1
181.04951	100.0
181.08336	3.6
182.05275	1.7
191.10709	1.0
191.14357	1.4
209.06087	0.9
209.08073	19.4
209.11807	1.3
209.16489	2.2
227.09084	14.1
227.17839	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03932	3.2
55.01862	3.0
55.05509	14.5
56.96558	10.2
57.03428	6.5
57.07061	6.6
59.04977	2.1
65.03925	3.2
67.05497	21.2
69.03416	4.7
69.07058	17.1
71.04967	7.3
71.08626	2.8
71.60533	1.9
71.60906	2.0
73.06550	2.8
77.60352	1.7
79.05489	20.6
81.03397	5.3
81.07045	37.6
83.04977	11.3
83.08601	8.1
84.04511	1.6
85.02902	4.8
85.06526	6.7
91.05483	14.3
93.07047	16.6
95.04962	10.1
95.08602	77.6
96.08897	2.0
97.02891	3.3
97.06530	6.4
97.10165	6.1
98.97569	2.9
99.04440	7.9
99.08112	2.4
105.03375	4.8
105.07020	25.3
107.04940	17.3
107.08584	57.1
109.06512	12.3
109.10143	32.4
111.08063	8.0
113.06054	2.8
115.07433	1.8
116.98666	2.5
119.04898	3.5
119.08583	23.7
120.05579	20.7
121.10141	14.6
123.04438	4.2
123.08067	29.8
123.11687	6.6
125.05984	3.0
125.09608	4.8
127.03922	11.1
128.98634	2.1
131.00137	3.0
133.10088	10.4
135.08025	3.1
135.11688	91.5
137.06003	5.4
137.09613	5.2
137.13257	10.4
139.11180	2.1
141.05511	2.6
141.09100	3.1
146.99629	4.6
147.08069	2.0
147.11674	14.8
149.01234	6.2
149.09604	4.1
151.07541	9.4
151.11194	4.1
151.14827	26.2
155.07079	3.7
161.01234	5.2
161.09602	3.8
161.13251	30.8
163.03882	2.4
163.11166	2.6
165.05446	2.9
165.06882	1.6
165.09074	4.0
165.12769	6.4
167.02240	2.7
167.07004	5.4
167.10646	3.3
169.08588	1.9
170.20518	1.8
171.11722	2.2
177.05069	1.8
179.14301	100.0
180.04141	5.6
183.06717	4.4
189.12695	10.4
193.04872	2.5
203.02269	4.1
207.06522	3.1
207.13800	24.5
225.07253	2.6
225.09113	7.8
225.11101	3.5
225.12857	4.0
225.14824	28.7
225.16866	2.2
225.19542	1.9
225.21948	2.0
226.09761	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.63235	1.2
55.05492	4.5
56.96560	13.7
57.03444	1.7
57.07069	3.9
59.04993	4.1
67.05499	10.9
69.03420	3.9
69.07051	4.0
69.85249	4.9
69.85658	2.9
71.04981	3.8
77.03903	1.3
79.05481	5.5
81.03420	1.7
81.07058	25.8
83.04977	7.6
83.08601	2.3
85.02903	100.0
85.06528	2.8
87.76740	1.3
91.05488	6.8
93.07042	9.9
95.04970	4.7
95.08606	39.1
97.06545	3.8
97.10188	2.5
99.04469	3.3
101.06015	1.9
103.25117	1.3
105.07031	7.7
107.04927	2.2
107.08601	11.5
109.06499	9.8
109.10152	13.1
111.04460	1.8
111.08040	3.4
113.06005	3.4
114.00836	1.3
119.01926	2.4
119.08567	11.2
121.06522	1.3
121.10147	14.3
123.04454	1.9
123.08062	20.1
123.11705	72.7
125.06007	7.7
125.09636	2.7
128.98621	2.1
131.08577	2.2
133.10176	1.8
135.08081	1.5
135.11710	4.7
137.05998	2.3
137.09639	3.9
137.13275	1.9
139.11287	1.5
141.05412	1.5
141.09103	3.5
143.01872	1.8
143.08565	1.9
145.10100	4.5
146.99680	2.7
147.08025	4.7
147.11671	8.1
149.09618	12.1
151.07547	4.8
153.09114	1.3
154.04613	1.7
156.09370	3.2
159.08057	2.4
160.28891	1.4
160.69913	1.3
161.02953	5.3
161.13251	4.7
162.04527	1.6
163.11137	3.0
165.09123	1.5
165.12738	4.1
169.08662	1.6
171.11659	4.0
175.07552	2.9
177.04955	2.9
178.98621	2.7
179.14359	2.8
183.13785	1.7
189.12715	12.0
193.05202	1.4
201.09042	1.9
207.13814	23.1
210.06815	1.8
225.05414	1.6
225.09151	2.3
225.14803	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	225.1482
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03927	2.5
55.05501	6.1
56.96556	11.2
59.04998	3.5
67.05502	11.1
67.37907	2.7
69.03419	9.0
69.07064	10.9
69.58762	5.4
69.59164	20.1
70.85728	2.8
71.04997	4.3
75.21684	2.6
79.05495	6.2
81.07054	16.8
83.04974	15.2
85.02893	2.9
85.06522	6.0
91.05457	9.7
93.07037	14.0
94.20826	2.7
95.04966	7.9
95.08593	36.3
97.06532	9.7
99.04405	3.3
105.07029	33.1
107.04939	3.6
107.08585	27.6
109.06523	11.6
109.10163	9.0
111.08066	7.4
111.34702	2.4
119.04885	3.1
119.08560	23.6
121.06463	6.2
121.10123	17.4
123.08057	71.9
123.11706	8.4
125.06068	2.6
131.08565	8.2
133.06479	11.2
133.10139	8.7
135.11702	7.8
137.05948	3.4
137.09625	5.8
139.11194	4.5
145.10138	9.5
147.08018	8.4
147.11693	16.2
149.09607	70.1
149.71240	3.0
151.07533	21.8
156.09363	7.2
156.71007	3.1
159.07988	3.2
160.08815	2.9
161.09694	4.0
161.13261	24.3
163.11104	4.4
165.09058	3.4
165.12788	14.9
171.11671	12.8
174.10390	6.9
177.04933	12.1
178.98654	5.5
179.14308	11.2
186.05435	4.5
189.12732	100.0
207.13794	89.6
219.10402	3.0
225.14806	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	225.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15053	1.0
92.80534	0.5
101.00861	7.3
116.98721	0.7
119.01913	56.5
120.02007	2.2
122.97752	0.7
134.99927	3.7
137.02946	26.4
138.03127	0.6
140.98836	0.8
142.03488	3.0
153.00896	3.2
158.99837	3.3
160.04521	2.0
161.02911	1.0
162.96143	0.6
165.99654	0.6
175.03049	1.4
177.00945	100.0
178.01024	5.6
179.00777	0.8
179.04033	1.2
183.00003	1.5
183.06125	0.7
184.04607	0.9
193.04170	1.2
195.01999	3.1
200.02533	1.3
201.00891	4.4
201.02486	0.7
201.07318	0.8
202.05569	1.2
217.04089	10.3
218.03963	1.1
219.01994	86.2
220.02080	12.2
221.02094	0.5
225.00815	4.0
225.07239	0.9
242.03618	1.7
242.29694	0.6
243.01938	13.0
244.02217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.7
56.05026	0.8
56.96549	1.1
57.07062	1.3
66.16697	0.6
67.05491	0.9
69.95687	3.2
71.05016	1.1
76.16290	0.5
77.55444	0.6
79.05481	1.2
81.03395	0.6
81.07047	1.4
82.99846	0.6
83.06129	0.7
84.16470	0.6
95.08609	1.4
95.95497	0.5
98.21451	0.8
99.04468	0.9
101.00872	5.0
105.03339	1.0
105.36919	0.7
107.08574	0.8
109.06483	0.8
109.10139	0.7
116.98729	0.6
118.03503	1.6
119.01919	58.9
119.08511	0.6
120.02046	2.0
120.05604	0.6
123.08139	0.8
123.11722	0.6
124.02465	0.7
134.02980	0.6
134.99873	4.1
135.72389	0.7
136.04572	1.1
137.02957	35.7
138.03088	1.3
140.98834	0.9
142.03499	6.9
144.05083	0.8
153.00949	3.8
158.99792	3.2
159.06171	1.7
160.04546	4.6
161.02966	2.3
177.00952	100.0
178.01048	10.7
178.03775	1.0
178.05428	0.8
179.00673	3.8
179.04053	3.9
182.99954	1.3
183.06216	1.1
184.04547	1.9
184.06192	0.6
193.04070	2.2
195.02011	2.7
200.02592	1.9
201.00848	4.4
201.02301	0.5
202.01013	0.9
202.05556	2.0
217.04083	9.8
218.03644	1.2
219.02002	92.2
220.02081	19.6
221.01700	3.1
225.00764	3.7
225.07234	0.9
225.09238	1.6
242.03615	1.7
243.01912	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01876	1.6
55.05507	6.0
57.03431	1.7
57.07068	2.3
59.04795	1.1
59.05012	11.9
65.66825	1.4
67.05512	9.7
69.03432	13.2
69.07065	10.6
70.75954	2.4
71.04974	1.9
72.94389	1.3
74.04189	1.2
79.05492	11.6
81.07058	18.8
83.04978	9.8
83.08600	4.1
87.04465	15.4
91.05470	15.9
93.07040	46.7
95.04977	8.0
95.08610	16.1
96.04952	1.5
97.06534	6.0
101.05990	2.1
105.07029	36.9
107.08595	32.5
109.06533	9.4
109.10139	6.4
111.08084	7.8
117.07011	4.9
119.04974	2.6
119.08569	20.0
121.06520	3.1
121.10131	9.9
123.08044	11.4
123.11736	2.3
128.06218	2.1
129.06990	2.2
131.08578	5.0
133.06482	5.3
133.10144	9.2
135.08015	2.0
135.11708	1.6
137.05978	3.2
137.09595	2.9
137.83528	1.4
139.11159	2.5
141.09094	2.9
143.08560	4.5
145.10094	3.7
147.08054	6.7
147.11696	13.0
149.09618	5.1
151.07573	3.4
151.11179	100.0
151.37398	1.4
156.09322	8.0
159.11736	7.8
161.09613	5.6
161.13240	18.1
171.11685	7.5
174.10147	1.6
177.12697	3.3
179.14374	2.3
180.52583	1.3
189.12723	17.0
207.13800	95.6
211.69563	1.4
225.14874	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	224.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.6
53.03941	0.7
55.05502	0.7
56.93965	0.3
56.96563	5.0
59.06110	0.3
69.03424	0.5
69.99235	1.3
74.20655	0.3
74.97609	0.3
77.03926	0.7
79.05492	0.7
81.07060	0.7
85.02906	0.6
91.05465	2.7
91.05941	0.3
92.05785	0.3
93.05785	0.4
93.07050	1.3
94.07395	0.6
95.04948	2.3
95.08611	0.4
96.04568	0.3
97.06525	0.4
98.97615	0.6
104.04988	11.9
105.03393	3.5
107.04961	1.0
108.05211	0.4
109.06531	0.6
110.97567	0.4
116.98611	0.7
119.04929	1.2
119.08552	0.4
120.04481	0.4
120.08826	0.3
121.05252	2.2
121.06527	1.0
122.06004	0.8
122.06879	0.9
123.04433	0.4
128.98613	0.7
132.04446	100.0
133.02846	15.3
133.04803	1.0
134.03169	0.3
134.41791	0.3
135.04428	0.5
135.08072	0.3
136.07561	2.1
136.08446	0.4
136.33379	0.3
137.05963	1.2
142.96495	0.4
143.08572	0.3
145.06512	0.4
146.06956	0.3
146.99681	1.5
147.04424	1.5
149.02287	0.3
149.04721	7.8
149.05901	0.6
150.05499	55.0
151.03862	0.4
151.05836	0.6
153.00691	0.5
153.01816	5.8
154.02177	0.4
156.04295	0.4
163.03914	1.1
163.07509	0.5
164.07059	37.5
165.05450	0.7
165.07327	0.4
165.08981	0.3
168.04398	0.5
171.07977	0.4
175.03909	0.9
175.07515	0.6
177.00642	0.4
177.04883	2.3
178.13211	0.6
178.98622	0.7
186.05426	0.7
193.04977	0.7
196.99800	0.3
197.02773	1.8
206.08086	2.1
206.12581	0.7
207.06555	1.3
209.04425	0.4
213.04378	0.4
222.04802	0.5
223.02768	0.4
224.07063	0.6
224.09155	4.9
224.13716	1.5
224.16580	0.4
226.04080	0.3
241.03694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54089	14.5
53.91203	14.7
55.01886	29.4
55.08665	17.0
56.96554	40.9
57.03422	43.2
60.04530	18.2
61.02913	24.7
63.64568	14.2
69.03432	36.0
71.01363	36.4
71.23939	30.1
73.02940	27.0
84.04509	18.4
85.02888	29.4
87.04473	19.6
100.69888	16.0
101.02364	55.3
113.02368	30.6
115.03925	89.6
119.01967	43.6
129.01813	100.0
143.03444	20.8
157.01323	55.8
161.04453	71.6
185.28294	18.9
189.03908	56.2
201.02496	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	224.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59952	1.2
55.05491	1.4
56.05013	1.2
56.96563	38.3
57.03432	4.2
58.06603	1.9
59.06121	1.5
65.03936	1.2
66.72473	1.2
67.05515	1.5
68.99776	1.5
69.03437	3.0
70.06578	2.4
71.04990	2.7
71.50384	1.8
72.08167	1.5
73.02911	13.2
75.73936	1.3
77.43743	1.3
79.05492	4.4
81.03415	2.1
81.07052	1.9
83.04970	2.4
84.96029	4.7
85.02904	5.6
91.05483	17.8
92.05829	1.5
95.04950	2.3
95.06094	1.7
97.02869	3.2
98.92609	1.2
98.97578	16.3
102.97067	1.6
103.05482	1.3
104.50124	1.2
105.07059	3.3
105.82955	1.4
107.04956	2.8
109.06532	1.5
110.97555	5.1
115.05471	1.6
116.98636	17.4
119.04941	25.9
120.05350	1.5
123.04396	1.8
128.98608	13.1
132.04411	2.5
132.08125	1.8
134.99655	19.7
135.04451	2.4
137.05945	1.9
141.01927	1.8
142.02780	1.6
143.00159	5.6
146.99677	18.1
147.04405	100.0
148.04745	7.3
148.07599	2.3
149.01251	1.9
149.02377	2.1
149.08365	2.4
150.02573	1.5
153.00722	1.7
161.01166	9.3
162.99142	2.2
163.03885	4.5
164.04680	1.6
165.00742	3.6
165.05464	1.9
170.99681	2.9
177.00748	4.7
178.08591	2.9
179.02260	2.4
179.10165	1.3
180.03653	6.2
183.03104	8.2
189.00696	4.3
189.05463	1.7
192.03514	6.3
201.00749	3.7
201.04161	4.4
206.08012	2.4
207.01683	1.6
211.02908	1.6
219.01744	11.7
221.01186	4.1
224.09155	2.9
224.24002	1.4
237.02800	13.9
239.02393	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	223.1327
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.03929	2.9
55.01857	4.8
55.05507	17.3
56.96552	3.5
57.03427	5.9
57.07064	3.8
59.04979	4.5
61.02912	6.3
67.05504	10.1
68.99771	2.3
69.03130	1.5
69.03436	15.6
69.07047	9.0
69.34607	7.5
69.35038	10.0
71.04976	6.0
79.05482	13.0
81.03407	6.7
81.07048	12.7
83.01323	2.3
83.04973	24.7
83.08591	2.3
85.02896	27.6
85.06532	3.9
91.05470	21.0
93.07036	36.4
95.04961	20.1
95.08597	16.2
97.06500	2.8
97.10164	17.4
98.20764	3.1
98.97564	2.4
99.04404	2.2
103.05439	1.8
105.07028	19.5
107.04932	6.7
107.08587	25.7
109.02825	2.1
109.06501	26.3
109.10159	7.1
111.08049	7.4
113.05991	8.7
117.07019	4.6
119.08569	20.0
119.60812	1.6
121.06492	36.4
121.10140	21.6
122.07298	1.5
123.04498	2.5
123.08044	15.4
125.06009	1.9
125.09586	3.5
128.06105	2.3
129.06972	3.0
131.08562	7.4
133.10121	17.8
135.04417	1.7
135.08018	26.0
135.11694	14.7
137.05986	2.4
137.09604	13.1
139.07535	9.7
143.08537	4.0
144.09302	3.2
145.06458	2.8
145.10098	15.4
146.07214	2.8
147.08072	9.6
149.02290	2.4
149.05946	6.9
149.09610	88.4
149.13245	7.6
151.07585	2.1
151.11189	3.9
153.05482	2.8
153.09090	3.0
159.11703	21.6
161.09615	17.8
163.07521	5.9
163.11183	35.4
165.09099	25.3
167.07040	5.2
172.08804	5.7
175.11145	3.5
177.05489	1.9
177.09164	4.1
177.12737	41.5
179.10678	10.5
181.08522	3.6
181.12238	3.9
187.11185	20.2
195.07980	1.9
195.13771	4.3
205.12222	56.5
223.05855	3.1
223.07721	2.7
223.13278	100.0
223.16911	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1326
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
52.05883	1.2
53.03940	2.1
55.01856	4.1
55.05507	24.7
56.78619	1.2
56.96572	1.6
57.03436	6.6
57.07049	1.2
59.04990	4.2
61.02916	2.9
65.03928	2.4
67.05510	7.2
69.03423	11.0
69.07076	10.7
71.04962	3.0
71.13403	2.3
79.05477	6.7
81.03430	6.7
81.07062	6.9
83.01334	3.3
83.04982	16.8
83.08611	1.4
85.02901	39.2
85.06516	3.4
91.05475	15.5
93.06465	2.5
93.07040	35.1
95.04964	15.6
95.08607	18.9
97.06494	3.3
97.10167	20.5
98.83052	1.1
98.97589	2.1
99.04431	2.1
105.07030	12.9
107.04929	1.7
107.08587	17.7
109.06520	11.7
109.10159	3.4
111.08068	7.6
113.06012	2.5
115.05474	1.2
116.74519	1.2
116.98621	1.2
117.07052	5.8
119.08571	15.5
121.06501	74.1
121.10142	14.7
123.08052	13.6
125.05976	2.0
125.09628	1.6
129.07030	2.1
130.07787	1.2
131.08586	4.9
133.10133	18.0
135.08047	18.3
135.11678	13.6
137.09587	7.9
139.07576	8.3
144.09338	5.0
145.06479	1.5
145.10109	12.7
147.08061	5.1
149.05960	2.8
149.09607	27.6
149.13229	4.6
151.11182	3.6
153.05409	1.3
153.09070	2.7
153.39351	1.3
158.74896	1.2
159.11694	18.1
161.09607	9.5
163.07539	2.8
163.11182	25.5
165.09125	18.7
166.01251	1.1
167.07040	3.7
172.08879	1.4
175.11163	2.3
177.12753	27.8
177.14240	2.5
179.10699	5.7
181.08585	1.3
181.12273	2.1
187.11185	7.2
187.40816	1.2
195.13795	5.3
203.38280	1.4
205.12231	44.0
223.13283	100.0
224.13649	2.7
243.69539	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1327
Annotation	Annuionone B
Peak:m/z	Relative Intensity
53.03929	6.5
55.01852	2.9
55.05510	22.9
57.03420	5.9
59.04989	3.9
61.02908	9.0
67.05503	12.3
69.03426	13.9
69.07060	13.3
70.91032	5.3
71.04971	6.6
78.77467	2.4
79.05471	12.5
81.03417	5.8
81.07052	8.8
83.01324	2.4
83.04975	26.7
85.02902	35.5
85.06531	4.4
91.05482	21.9
93.07042	49.3
95.04954	17.8
95.08602	18.2
97.06503	4.0
97.10159	15.1
99.04435	3.0
103.05453	2.8
105.07037	21.0
107.04895	3.0
107.08595	22.5
109.06526	20.8
109.10128	7.9
111.08096	6.9
112.88778	2.3
113.05986	7.6
115.26920	2.5
116.89928	2.4
117.07011	9.7
119.08576	28.6
121.06501	71.9
121.10149	22.1
123.08016	18.0
125.09608	4.8
129.07004	4.3
131.08548	8.6
133.10112	18.9
135.04442	4.1
135.08055	32.5
135.11673	14.9
137.09581	12.9
139.07516	9.7
143.08554	3.1
144.09305	5.4
145.10126	19.0
147.08028	7.6
149.05927	6.0
149.09608	68.3
149.13234	6.7
151.11180	4.4
153.09091	5.5
159.11671	27.4
161.09645	16.5
163.11159	46.0
165.09091	34.8
167.06995	7.8
172.08855	6.7
175.11198	5.0
177.11208	2.8
177.12744	48.0
179.10675	10.7
181.12166	2.6
187.11234	14.8
205.10577	1.8
205.12221	60.9
223.13286	100.0
224.13728	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	223.1327
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
51.02391	2.3
53.03938	7.4
54.43689	2.2
55.01855	8.2
55.05513	13.7
56.96549	8.0
57.03431	2.5
57.07055	7.0
58.06593	4.0
59.04998	11.5
59.06914	2.3
65.03933	3.1
67.05230	2.0
67.05505	21.8
69.03422	21.1
69.07065	12.3
70.93035	3.6
70.93361	2.6
71.04980	3.8
79.05492	19.4
81.03419	4.6
81.07054	15.7
83.04985	27.0
83.08610	2.8
85.02890	3.8
85.06537	5.3
88.36201	2.2
91.05474	54.2
93.07043	100.0
95.04974	30.4
95.08606	14.6
97.06554	10.8
98.97584	22.5
99.04435	4.9
103.05453	8.6
105.03384	2.6
105.04548	2.4
105.07025	33.4
107.04928	11.4
107.08584	33.5
109.02856	2.0
109.06527	19.7
109.10125	6.9
111.08080	13.9
113.05991	5.4
115.05442	3.7
116.98627	18.4
117.07009	14.9
119.04899	3.0
119.08570	31.8
120.05270	2.9
121.06506	97.7
121.10137	32.9
123.04458	3.7
123.08081	12.0
123.11745	2.8
125.09634	7.6
127.07559	5.6
128.06267	2.4
129.06999	11.3
130.07796	3.1
131.04878	3.6
131.08556	16.2
133.06476	4.0
133.10118	15.8
134.99626	8.5
135.08055	14.5
135.11699	10.7
137.09627	8.2
139.07555	15.4
142.07776	4.0
143.08583	2.4
144.09323	8.2
145.06462	7.5
145.10103	18.3
147.04405	6.1
147.08052	7.4
147.11705	4.8
148.04764	16.1
149.02304	5.9
149.05988	2.8
149.09619	62.8
149.13162	2.6
153.09087	13.3
155.64557	2.3
157.08890	2.1
157.10150	9.2
158.99657	8.9
159.08037	3.6
159.11688	32.5
161.05980	3.6
161.09650	9.7
161.13248	14.7
163.03845	2.2
163.11176	19.0
165.09085	6.5
167.05658	5.5
167.06970	3.2
167.10532	2.3
169.10204	2.6
172.08824	7.9
175.11177	22.7
175.20482	2.0
177.00699	16.2
177.05550	2.4
177.09064	2.2
177.12747	23.9
179.10757	10.4
181.12279	4.7
187.11157	25.7
193.12212	7.2
205.12201	40.3
219.01793	3.0
223.06023	7.0
223.09557	3.9
223.11191	3.0
223.13310	61.5
223.16780	13.7
224.13443	2.4
225.04178	4.8
227.02129	2.7
227.38342	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	222.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75589	0.2
58.93428	0.2
60.66566	0.2
63.97853	0.2
71.05994	0.2
71.06306	0.2
74.34491	0.2
79.47407	0.2
97.18950	0.1
99.63983	0.2
101.00877	0.5
102.94331	0.3
119.01136	0.3
119.01917	2.7
120.95397	0.5
137.02982	0.8
138.96356	3.5
138.97397	0.2
156.97466	68.4
157.97520	1.7
158.97960	0.3
174.98526	100.0
175.98579	2.5
176.98935	0.6
179.99040	2.2
180.97452	1.1
180.98982	0.3
189.00027	0.3
189.97838	0.2
198.00114	2.2
198.98517	17.8
199.98590	0.4
210.37537	0.2
216.01202	0.3
216.99576	46.8
217.99725	1.4
222.00119	0.5
240.01157	0.9
240.99379	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.3
58.06596	22.6
60.95002	0.2
61.78182	0.2
65.03928	0.4
69.61008	1.7
76.07234	0.3
76.07639	5.0
91.05471	7.2
98.20768	0.5
112.63047	0.2
114.03143	0.2
116.98717	0.2
119.04934	23.3
147.04398	100.0
148.04755	0.9
160.92310	0.2
191.07007	6.6
222.11288	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1123
Annotation	N-Methylcorydaldine
Peak:m/z	Relative Intensity
56.05016	1.8
56.91043	1.4
56.96550	6.0
60.04509	3.7
67.05493	1.4
69.50629	9.4
70.06601	1.6
72.08125	1.9
79.05432	1.2
81.07062	1.5
83.05015	1.5
91.05459	3.1
95.04959	2.2
97.02879	2.3
98.97570	3.7
103.05464	47.8
105.07064	1.9
107.04933	2.1
109.02827	1.4
109.07630	2.0
116.98612	1.9
120.08083	1.9
131.04921	100.0
134.99609	1.8
137.05968	12.2
147.04366	1.6
148.07565	4.1
153.01865	1.6
156.97493	2.6
159.06297	2.2
161.08353	4.0
163.07532	51.6
164.08170	1.8
165.05463	1.3
174.98566	3.9
176.07005	11.7
176.08337	1.2
177.00656	1.6
180.10199	7.6
189.07843	5.1
190.08588	10.7
192.05424	1.9
204.10242	3.3
207.07173	1.7
207.08871	8.8
216.99979	5.4
221.76764	1.5
222.11244	99.6
225.04315	1.5
235.01257	1.8
237.02754	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0964
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
53.03959	0.3
55.05504	0.6
57.07077	2.7
59.05006	0.3
59.70340	0.3
60.54063	0.3
60.86653	0.3
64.37380	0.3
65.03933	2.9
67.05488	0.8
69.03416	0.5
69.07049	1.1
69.62745	0.8
69.63165	1.4
71.04968	0.5
76.97915	0.3
79.05481	1.0
81.03391	0.6
81.07045	1.2
83.04959	1.2
83.08633	0.6
85.02899	0.5
85.06524	0.4
91.05469	0.6
93.03393	1.3
93.07039	1.4
95.04951	0.6
95.08584	1.6
97.02879	0.3
97.06538	0.5
105.07033	0.4
107.04916	0.6
107.08588	1.0
109.06525	0.3
109.10135	0.6
109.32044	0.3
111.04444	1.0
111.08060	0.8
117.07070	0.4
117.28423	0.3
119.08557	0.9
120.08907	0.3
121.02859	7.4
121.03947	1.2
121.06499	1.1
121.10122	1.2
123.08065	0.6
123.11692	0.4
125.09585	0.3
131.08571	0.4
135.08043	0.7
135.11693	0.9
137.09647	0.4
138.09865	0.3
139.07481	0.4
139.11105	0.3
145.10095	0.6
149.02335	100.0
149.13264	0.5
150.02667	1.2
150.13538	0.3
159.11674	0.7
162.03226	0.3
163.07368	0.4
163.11185	1.0
165.09070	0.5
167.03383	3.0
167.05650	0.6
177.00690	0.4
177.12743	1.4
178.13080	2.8
190.05003	0.7
195.13867	0.4
205.12254	1.1
223.06027	1.1
223.07916	0.4
223.11356	0.8
223.13293	1.7
223.16974	2.0
223.18907	0.6
223.22546	0.3
225.04388	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05504	9.8
56.96550	6.9
57.07063	7.7
57.97794	2.2
59.15750	2.4
67.05219	2.3
67.05504	27.8
69.03437	5.7
69.07068	20.9
70.28613	10.0
71.04978	5.9
74.74289	2.4
79.05490	11.3
81.07053	54.0
83.04975	6.5
83.08615	12.6
85.06512	2.8
91.05465	20.1
93.07047	29.4
95.04961	7.3
95.08603	73.5
97.06516	6.0
98.97598	4.3
105.03378	7.6
105.07027	58.9
107.08591	46.9
109.06505	9.2
109.10156	48.7
111.08081	9.4
115.05458	3.5
116.98596	7.0
117.07018	4.0
119.04898	3.0
119.08574	81.1
120.08883	2.9
121.06496	4.8
121.10137	27.3
123.08047	9.7
123.11698	20.9
131.08556	5.5
133.06493	4.4
133.10112	39.1
134.99658	4.3
135.08070	3.0
135.11652	14.2
137.05972	4.1
137.09625	7.2
137.13260	5.2
143.08569	3.0
145.10101	4.4
147.04382	4.4
147.08095	3.7
147.11691	58.8
149.05859	3.2
149.13251	10.5
151.03870	3.5
151.11183	6.4
159.11665	5.6
161.05984	7.8
161.09605	7.5
161.13243	27.1
163.14812	19.3
165.07034	3.3
165.09152	3.5
165.12758	5.9
174.68126	2.4
175.07460	5.1
175.11176	3.8
175.14842	24.6
177.05492	6.7
177.09125	5.4
177.12660	4.2
178.07741	3.3
179.14326	2.5
189.05449	4.0
193.08562	3.9
203.10675	4.2
203.14211	3.7
203.17961	100.0
221.04456	2.9
221.07956	15.5
221.11691	8.4
221.15356	10.9
221.19057	58.0
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
53.03951	1.8
55.05508	13.2
56.96552	7.0
57.07060	7.2
59.04982	2.7
67.05499	15.9
69.03416	4.2
69.07065	22.1
70.11995	8.2
71.04994	2.2
71.95270	1.6
79.05492	9.2
81.07050	45.2
83.04955	2.9
83.08618	10.7
85.06528	2.8
88.47961	1.7
91.05430	10.7
93.07035	25.8
95.04952	4.1
95.08598	49.2
97.06528	12.2
97.10160	4.5
98.20615	1.9
98.97572	3.7
105.07020	36.1
107.08584	34.3
109.06493	6.5
109.10133	29.3
111.08076	24.4
111.11678	2.1
116.98607	4.2
119.08562	30.9
121.10142	21.6
123.08039	14.4
123.11690	19.3
125.09600	3.8
133.10132	21.1
134.99619	3.7
135.11667	9.9
137.09592	10.7
137.13235	9.0
143.08591	2.1
145.10085	2.4
147.04359	2.7
147.08165	2.2
147.11662	46.2
149.13225	13.5
151.11166	3.8
159.29800	1.9
161.13245	17.2
163.14798	17.6
165.12749	14.5
175.07489	3.2
175.11174	2.7
175.14806	6.3
177.16368	3.0
179.10722	2.9
192.94910	3.0
197.75980	2.0
203.17934	65.8
205.15096	2.0
206.10977	2.2
214.29509	2.3
221.04424	2.8
221.07962	3.3
221.11688	4.8
221.15372	6.7
221.18996	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
51.37497	1.8
55.01874	2.5
55.05510	16.3
56.96568	12.3
57.07075	12.5
59.04997	6.1
61.96817	1.9
67.05505	25.3
69.03413	5.0
69.06718	3.2
69.07066	45.6
70.15549	9.4
71.04987	7.4
79.05480	16.5
81.07055	53.5
83.04954	3.7
83.08606	11.7
85.02879	2.3
85.06532	3.5
91.05456	15.0
93.07035	36.6
95.04958	6.4
95.08601	66.0
97.02888	2.4
97.06533	14.3
97.10175	5.7
98.21488	2.5
98.97588	14.1
105.07030	42.0
105.25564	2.0
107.08596	50.2
109.06514	9.6
109.10152	39.7
111.08080	22.5
111.99989	2.3
112.68261	1.9
114.35616	2.1
116.98595	18.0
119.08578	36.3
121.00471	6.3
121.06538	2.0
121.10128	29.0
123.08072	22.5
123.11708	18.9
125.09668	2.2
131.08577	3.0
133.10129	25.3
134.99660	12.7
135.08038	4.1
135.11702	14.6
137.05965	3.8
137.09618	12.3
137.13246	9.7
145.10129	4.0
147.04417	3.3
147.11682	56.8
149.02341	4.7
149.05911	2.1
149.13246	14.9
151.11183	6.0
158.01201	2.8
158.99704	4.1
159.11696	2.4
161.06020	4.1
161.09686	3.9
161.13298	19.7
163.14819	24.8
165.12721	16.0
175.07539	2.6
175.14769	10.0
177.00713	9.1
177.16405	4.7
178.07707	3.2
203.10641	3.3
203.14914	2.4
203.17950	66.6
212.10690	6.7
221.04453	3.8
221.07939	5.1
221.11591	5.0
221.13544	2.9
221.15404	9.4
221.19026	100.0
222.11212	3.2
232.61858	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
52.76669	1.7
53.03936	2.5
55.05507	9.9
55.57413	1.5
57.07065	4.4
67.05499	8.4
69.07065	10.8
70.15416	4.2
70.15806	2.9
71.04990	21.2
79.05494	15.7
81.07047	43.2
83.08606	4.8
85.06526	2.1
91.05499	8.9
93.07040	32.7
95.08604	20.5
97.06538	2.5
97.10173	2.0
98.97575	6.2
99.08086	2.3
105.07021	22.7
107.08587	54.0
109.06558	3.0
109.10147	16.9
111.08071	2.2
111.11743	2.7
116.54945	1.4
116.98623	2.9
119.08575	32.8
121.10125	9.1
123.11703	12.8
125.09689	1.8
127.11195	3.9
131.08562	1.6
133.10112	20.3
134.77238	1.7
134.99585	1.9
135.11682	100.0
137.09615	3.2
137.13254	4.7
141.78601	1.6
147.11691	19.6
149.13246	5.2
151.11154	5.2
158.99643	2.4
161.13246	9.8
163.14783	2.6
165.12703	2.0
175.14803	2.2
177.00703	3.9
177.16472	1.7
186.29077	1.7
203.17938	32.2
221.18999	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
53.03939	3.6
55.01859	6.2
55.05503	24.4
56.96558	17.3
57.03434	5.4
57.07084	12.4
59.04994	4.3
59.36525	1.9
65.03951	4.0
67.05501	42.3
69.03423	15.2
69.07065	28.8
69.56190	17.0
71.04988	7.4
71.08656	2.1
73.02902	2.0
73.58012	1.9
76.46602	2.2
76.97996	2.0
79.05491	31.3
79.51376	2.3
81.03413	3.1
81.07059	71.7
83.04980	29.1
83.08619	14.1
85.06531	8.9
88.03931	2.1
91.04895	2.8
91.05470	49.3
93.07049	40.3
94.13450	2.1
95.04978	16.5
95.08605	77.4
97.06515	8.9
97.10152	4.9
98.97565	7.8
99.08107	2.7
99.99919	2.6
103.05464	11.9
105.07030	63.4
107.04949	6.1
107.08594	51.7
109.06507	21.4
109.10152	43.8
111.08091	18.5
111.11773	2.2
115.05441	5.6
116.98611	5.1
117.07018	9.1
119.04950	28.3
119.08581	96.7
120.08897	2.8
121.06503	9.5
121.10139	43.1
123.04449	2.5
123.08098	11.9
123.11669	16.6
125.09628	8.2
127.07510	2.7
129.07011	4.8
131.04921	10.9
131.08551	8.6
133.06477	11.5
133.10130	85.5
134.99673	5.5
135.08051	9.3
135.11688	25.6
137.05984	10.3
137.09610	19.6
137.13283	6.3
143.08528	6.8
145.10129	9.5
146.55409	2.7
147.04404	51.6
147.08040	20.3
147.11688	33.3
149.09642	5.1
149.13261	8.0
150.06776	3.7
151.03952	6.6
151.07585	2.2
151.11176	47.4
153.01903	4.7
157.10107	6.7
158.06079	2.6
159.04355	4.9
159.08115	2.6
159.11662	7.6
161.06032	6.1
161.09639	19.5
161.13251	55.7
163.07550	2.6
163.11188	8.0
163.14775	13.5
165.05473	6.2
165.09111	62.8
165.12735	6.8
167.04723	6.5
170.10844	6.0
173.13336	4.6
175.03906	19.7
175.11215	14.8
175.14844	19.6
177.00661	2.2
177.05566	5.5
177.09099	27.9
177.12756	3.1
177.16408	3.3
178.06276	4.2
179.10713	6.0
185.13321	5.0
188.11971	3.8
190.13509	5.2
191.09756	2.9
191.14307	15.4
193.04961	11.5
193.06546	3.4
193.08516	2.4
193.15903	3.5
203.03415	23.5
203.10709	3.6
203.14342	17.5
203.17976	22.4
204.05441	2.7
206.05722	3.2
209.06564	5.7
218.06900	2.3
221.04431	70.6
221.07793	14.4
221.11710	8.0
221.15384	100.0
221.18996	54.4
221.22031	17.0
222.19345	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03928	2.4
55.05509	18.5
56.96557	4.9
57.03429	2.7
57.07076	13.1
59.04984	2.3
65.03935	1.3
67.05161	2.3
67.05502	29.6
69.03415	4.2
69.07068	32.6
70.80113	3.9
71.04977	5.4
79.05489	17.0
81.03352	1.7
81.07052	58.8
83.04980	3.6
83.08628	9.2
85.06537	2.6
91.05470	24.0
93.07040	36.5
95.04967	3.7
95.08603	78.5
97.06531	8.8
97.10164	5.3
98.97601	2.6
105.07029	66.3
107.08590	41.1
109.06531	6.6
109.10149	42.9
111.08076	14.1
115.05468	1.8
116.98570	2.5
117.06957	2.6
119.08575	49.7
121.06499	2.5
121.10138	30.2
123.08073	10.8
123.11719	17.9
125.09631	4.7
131.04933	1.5
131.08624	2.6
133.06497	1.6
133.10124	35.1
134.99667	3.2
135.08072	1.8
135.11694	19.8
137.09579	7.2
137.13269	8.3
139.11171	1.7
145.10158	3.7
147.04373	2.7
147.08052	1.8
147.11676	66.9
149.13260	13.0
151.03862	2.4
151.11166	5.2
161.05994	3.0
161.09637	2.3
161.13237	23.9
163.14825	15.0
165.12759	19.0
175.07457	2.0
175.11295	1.5
175.14835	5.4
177.00662	1.8
177.05511	2.2
177.09096	1.8
177.16380	6.0
178.00961	1.4
179.10736	1.8
179.14360	3.3
185.13220	1.2
193.08539	1.7
203.10547	1.5
203.14278	2.1
203.17950	61.1
221.04384	3.3
221.08066	1.9
221.11699	3.0
221.15431	5.3
221.18994	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	221.1534
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
53.03936	5.7
55.01857	6.9
55.05264	2.6
55.05508	38.2
56.96544	3.3
57.03434	3.9
57.07061	10.0
59.04977	3.6
60.01075	2.2
67.05502	28.0
69.03072	3.8
69.03427	65.0
69.07074	20.7
70.05448	11.3
70.12286	2.1
71.04990	6.6
79.05489	44.8
81.07056	88.2
83.04981	41.4
83.08612	13.6
85.02889	3.9
85.06527	6.1
91.05481	24.1
93.07044	28.9
95.04968	13.9
95.08601	38.9
96.70252	2.4
97.06516	7.1
97.10154	4.0
98.97585	3.2
103.05453	4.8
105.07024	35.8
106.07349	4.5
107.04964	13.7
107.08584	28.9
109.06513	40.5
109.10149	47.8
110.07296	6.3
110.57282	2.6
111.08081	25.7
115.05489	3.0
116.98527	3.0
117.07012	4.9
119.04934	5.2
119.08575	59.2
121.06532	11.9
121.10131	47.3
122.07264	8.6
123.04404	2.5
123.08066	37.7
123.11692	7.3
125.09631	4.0
127.41864	2.5
129.06943	5.3
130.07773	2.7
131.04950	3.7
131.08565	7.3
133.06476	5.3
133.10118	32.7
135.08017	7.7
135.11714	13.5
137.05965	57.4
137.09615	50.0
138.10374	6.4
139.11169	5.4
143.08577	5.7
145.10136	8.5
147.04379	4.9
147.08022	15.7
147.11668	11.2
149.02333	19.5
149.09621	9.0
151.07545	21.0
151.11162	6.5
159.11650	7.5
161.05991	7.2
161.09695	11.6
161.13242	16.6
163.11168	20.7
165.09117	8.7
170.10901	3.7
175.07547	5.0
175.11130	4.9
175.14851	17.8
177.09131	19.5
177.12744	5.3
177.14638	4.3
179.10620	3.1
179.14297	6.0
185.13181	4.1
189.09044	2.5
193.08563	3.1
193.15862	14.7
203.07001	3.2
203.14290	10.6
203.17973	3.4
221.08075	3.6
221.12048	11.2
221.15353	100.0
221.18813	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	221.1533
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
55.01865	7.0
55.05508	45.9
56.96552	6.3
57.03425	8.1
57.07069	18.2
65.03948	5.3
67.05501	43.2
67.34456	5.0
69.03433	60.9
69.07074	32.1
69.62132	36.5
71.04993	10.9
72.08141	14.4
79.05481	65.0
80.79644	4.9
81.07050	100.0
83.04974	41.3
83.08614	15.8
85.06570	6.1
91.05477	40.6
93.07043	39.3
95.04968	19.3
95.08611	62.2
97.02914	5.5
97.06513	9.4
98.20738	8.1
98.97595	10.2
99.08058	6.9
103.05443	10.1
105.07023	83.4
106.07353	19.3
107.04943	25.4
107.08590	51.0
109.06528	43.7
109.10149	66.5
111.04435	12.6
111.08047	35.7
113.05972	6.4
115.05460	12.8
116.98624	6.5
117.06992	21.9
119.04945	10.2
119.08570	89.1
121.06508	26.2
121.10143	59.9
122.07271	15.7
123.04517	6.9
123.08054	50.4
123.11700	12.1
125.09600	11.0
128.06256	12.3
129.06998	14.7
131.04926	11.6
131.08562	12.2
132.05379	6.0
133.06483	22.4
133.10121	53.9
135.08052	18.9
135.11707	23.9
137.05968	53.7
137.09624	51.0
138.10471	7.0
138.72519	5.5
143.08549	13.9
145.06470	6.3
145.10130	13.3
147.04393	14.7
147.08049	23.4
147.11705	20.0
149.02347	13.4
149.09659	10.3
151.07547	21.5
151.11214	15.1
157.06375	5.9
157.10176	6.2
158.06093	8.4
158.64278	4.5
159.11700	4.8
161.05931	24.6
161.09663	36.3
161.13260	28.1
162.06725	8.6
163.07555	11.8
163.11186	27.2
165.06969	9.7
165.09076	13.2
165.12717	6.0
175.07500	15.7
175.11186	12.8
175.14809	28.2
176.07919	9.6
177.05524	6.9
177.09113	70.2
177.12975	7.5
177.14691	23.2
179.10683	12.1
179.14217	8.3
185.13203	8.0
189.09122	10.7
193.08652	8.3
193.12225	7.2
193.15891	18.1
201.46581	5.7
203.07188	5.4
203.10588	11.9
203.14334	19.8
203.17938	10.6
209.97623	5.5
221.04282	7.3
221.08090	15.2
221.11926	36.8
221.15344	99.6
221.17688	8.7
221.18936	14.5
222.08440	5.0
222.11380	6.8
229.20567	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	221.092
Annotation	(S)-beta-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
56.96547	1.8
70.77941	0.8
70.78287	2.1
74.02439	1.2
81.07053	1.1
82.02919	2.9
94.06567	4.6
103.05458	1.6
104.04958	1.2
105.06989	0.8
106.06564	1.0
107.04940	3.1
109.10102	0.9
115.05434	2.1
117.05775	1.0
119.04954	0.9
119.08533	0.8
120.08101	1.1
123.04424	1.0
130.06522	70.9
131.04903	2.4
131.06853	1.6
132.04443	41.6
132.08066	2.1
134.06004	14.3
140.30286	0.7
146.05994	1.6
147.04382	2.2
148.07555	3.2
148.48291	0.7
149.06073	0.8
157.07608	39.1
158.06004	89.3
159.06618	2.5
160.07619	6.8
162.05498	29.2
163.07423	1.0
175.08662	100.0
176.07034	2.3
176.09023	1.6
181.03394	0.9
182.64217	0.9
185.07085	0.9
186.05542	5.3
197.01175	3.9
203.08136	12.4
204.06549	38.2
215.02179	1.2
221.04500	1.4
221.09210	21.9
238.65932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46338	0.2
53.52925	0.2
55.05510	0.4
56.96556	0.2
67.05486	0.3
69.07040	0.3
71.60422	0.3
71.75225	0.2
71.79080	0.2
75.45189	0.2
79.05468	0.3
81.07040	0.8
91.05465	0.9
93.07039	0.4
95.04955	0.4
95.08589	0.5
96.23538	0.2
97.02908	0.2
103.05466	0.3
105.07011	0.8
107.08591	0.5
109.10150	0.5
115.05426	1.4
116.06220	0.6
117.07011	5.0
119.04962	0.3
119.06840	0.3
119.08582	0.7
121.06462	0.4
121.10189	0.2
123.08058	0.2
128.06212	1.2
131.04889	0.2
131.08563	0.4
133.06490	0.8
133.10146	0.3
134.07272	0.9
134.97845	0.2
135.08040	0.7
143.08571	1.0
144.05682	0.7
145.06540	1.1
147.04399	0.7
147.08031	0.4
147.11725	0.3
149.09511	0.4
160.05194	0.2
161.05928	0.5
161.09621	0.3
161.13135	0.2
162.06752	5.3
171.08038	0.7
175.07561	2.5
175.11142	0.3
177.09097	100.0
178.09453	1.7
203.10783	0.3
203.17986	0.3
211.32527	0.2
221.08020	0.4
221.11757	0.5
221.15314	0.4
221.17223	4.2
221.19080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.01854	0.7
55.05490	1.5
56.84596	0.5
56.96527	2.0
57.07058	0.8
61.43176	0.6
63.60938	0.5
67.05475	1.9
69.03417	1.1
69.07045	0.8
70.06608	2.7
70.06889	0.6
70.19613	2.6
70.19961	0.8
70.78429	0.6
73.56155	0.5
76.21227	0.6
77.03915	0.7
79.05444	0.9
81.07029	2.0
82.02915	1.7
82.06512	0.5
83.04945	0.9
91.05447	1.5
93.07050	1.0
93.62045	0.5
94.06557	3.8
95.08586	1.6
98.97584	1.3
103.05441	1.1
104.04986	0.6
104.55978	0.8
105.06994	2.2
106.06513	0.8
107.04912	2.0
107.08569	0.6
108.19975	0.5
109.06496	1.2
109.10126	1.7
111.08048	2.4
115.05437	2.0
116.07062	2.4
116.98603	0.6
117.06988	0.6
118.06549	0.8
119.07271	0.7
119.08554	1.9
120.08083	1.3
121.06483	1.9
121.10128	0.9
123.04390	0.6
123.11684	0.7
127.07026	1.7
130.06517	55.2
131.04906	1.4
131.06847	0.8
132.04446	35.3
132.08046	1.3
133.06494	1.3
133.10100	1.1
134.06018	8.4
134.99603	0.9
135.08020	1.1
137.05962	1.3
137.09576	1.1
144.64862	0.5
146.05998	2.6
147.04434	1.1
147.06361	3.4
147.08076	0.9
147.09128	1.7
148.07591	5.6
149.05914	0.8
151.07497	0.6
151.11218	0.7
153.01831	1.4
157.06339	1.4
157.07605	20.5
158.06003	73.5
159.06520	1.1
160.07579	4.2
161.05931	2.2
161.09566	1.0
162.05496	14.5
163.11086	0.7
165.09119	0.8
174.98518	0.5
175.08664	100.0
176.07074	2.1
176.08975	1.0
177.05441	0.9
179.10707	0.7
186.05479	6.3
191.08710	0.6
193.15903	1.0
198.96886	1.9
203.03484	0.6
203.06853	0.7
204.06543	18.0
216.97917	1.6
216.99811	0.6
221.04565	1.2
221.09239	19.8
221.11673	1.6
221.15421	1.4
221.18129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77002	1.1
54.66341	1.1
55.01871	6.6
55.05505	4.7
56.96566	18.8
57.03429	2.2
57.07067	2.6
59.04998	1.6
61.02924	2.4
67.05491	5.0
69.03431	8.8
69.07063	2.9
70.74604	1.5
71.01346	1.3
71.04985	2.1
71.30402	1.2
71.58362	2.3
73.02908	4.0
74.02435	2.4
75.04475	1.3
79.05484	3.0
81.03428	2.3
81.07043	6.7
82.02918	2.8
82.04216	1.3
83.01343	10.8
83.04947	3.3
83.08604	2.1
84.49014	1.3
85.02934	3.1
87.00823	3.5
87.04440	2.4
91.05476	5.4
92.01266	1.1
93.07042	3.1
94.06558	5.0
95.00748	2.3
95.01324	33.7
95.04993	6.0
95.08599	5.4
96.04470	1.4
97.02870	3.1
98.03675	2.7
98.97598	2.9
99.04436	1.8
101.02340	1.7
101.06019	16.1
103.05455	4.3
103.09962	1.4
105.07040	4.8
106.06532	3.3
107.04972	14.1
107.08567	3.4
108.64213	1.2
109.06500	2.4
109.10175	3.8
111.00810	4.3
111.08085	5.6
115.03950	1.6
115.05447	4.2
116.98620	3.4
117.01844	4.3
117.05791	2.4
119.03439	5.7
119.04910	2.9
119.08588	4.4
120.08053	1.2
121.06487	6.4
123.04416	4.9
123.11651	1.5
128.98586	2.9
129.01834	4.6
129.05479	14.2
130.06523	70.3
131.04910	7.2
132.04454	43.1
132.05290	1.4
132.08101	4.2
133.05151	2.2
133.06508	2.3
133.10136	4.1
134.06017	42.4
134.99631	1.6
135.00687	1.1
137.05942	3.7
141.05464	23.3
146.05977	3.6
146.99649	3.4
147.04379	6.5
147.08037	1.7
147.09163	1.5
147.11679	1.5
148.07544	7.1
149.04485	1.9
149.05972	2.5
151.03922	2.1
151.07425	1.6
153.09091	2.6
155.04637	1.6
155.54823	2.7
157.05008	8.1
157.06296	2.5
157.07610	36.7
158.06012	87.3
158.41061	1.4
159.06766	5.5
160.07591	17.1
160.95290	1.6
161.05971	3.9
161.09592	1.3
161.29578	1.2
162.05501	72.5
162.99147	2.7
163.07619	1.2
164.05238	1.2
164.55379	3.2
165.05415	1.9
175.03928	2.4
175.08676	100.0
175.14830	3.2
176.07071	2.8
177.05498	2.7
177.09207	3.0
179.00130	4.3
179.03333	2.0
179.10681	2.4
181.00226	1.8
181.03447	1.6
186.05473	11.7
191.09059	1.7
193.05043	2.7
193.15616	1.7
197.01212	20.3
199.04399	2.2
203.03453	2.2
203.08273	7.5
204.06558	90.3
206.16176	2.1
215.02266	5.8
221.04465	4.9
221.09334	19.4
221.11530	2.1
221.15262	5.8
221.17551	1.1
223.01195	3.2
224.34735	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1694
Annotation	Fabianine
Peak:m/z	Relative Intensity
56.96541	0.7
65.19249	0.3
66.91373	0.3
67.05495	0.6
69.03386	0.3
70.06548	0.4
71.00445	0.8
72.07809	0.3
72.08155	4.9
79.05466	0.6
81.07047	0.8
83.04961	0.3
84.04499	0.4
91.05446	1.0
93.07009	0.5
95.08579	0.8
98.97556	0.4
103.05425	0.6
105.06998	0.6
107.08551	0.9
115.05402	0.6
116.06212	0.5
116.20933	0.3
116.98569	0.5
117.05757	0.4
117.07037	2.1
118.06543	10.4
118.07333	0.4
119.04957	0.3
119.08581	0.7
120.08907	0.4
121.10146	0.5
128.06190	0.6
129.06944	0.4
130.07321	0.7
131.04942	3.0
131.08525	0.5
132.08067	2.9
132.08925	0.4
133.06439	0.3
133.08844	1.2
133.10046	0.5
134.07227	0.4
134.09583	0.6
134.10507	0.7
134.99648	0.3
142.07367	0.5
143.08563	0.3
146.09598	3.6
146.10590	0.5
160.08382	0.7
160.11090	0.4
161.05937	0.4
162.06660	1.4
162.09111	6.2
171.81767	0.4
175.07458	2.6
176.07918	0.4
176.10782	3.7
176.14336	27.6
177.09100	26.9
177.11308	1.6
177.14626	0.7
190.09384	1.4
190.12254	3.4
191.12833	0.4
202.09430	0.5
202.15904	1.1
204.14676	2.4
205.15834	1.1
220.10368	1.5
220.16934	100.0
220.58707	0.4
221.17270	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	221.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01854	8.5
55.05497	8.4
56.96561	27.2
57.03411	2.8
57.07058	3.6
58.33227	2.1
60.04517	2.1
60.20325	2.1
61.02912	3.1
62.06184	2.3
67.05499	11.5
69.03428	14.6
69.07057	5.0
71.01346	5.7
71.04972	2.7
71.59020	3.2
72.99162	2.1
73.02897	8.9
74.97595	2.8
75.04460	3.6
79.05486	8.1
81.03388	4.3
81.07062	11.6
81.43906	2.4
83.01341	18.0
83.04951	2.7
83.08620	3.8
85.02906	7.0
87.00811	7.7
87.04504	2.6
88.81295	2.1
91.05480	7.4
93.07021	6.0
94.06578	2.2
95.01328	68.9
95.04965	10.4
95.08571	7.6
97.02879	4.1
98.97562	4.8
99.04462	4.4
101.02356	5.8
101.06021	30.6
103.05473	5.6
105.07014	7.9
106.06513	5.2
107.04932	28.9
107.08565	8.2
109.06490	4.2
109.10115	7.6
111.00767	10.4
111.08070	9.3
115.03963	3.0
115.05433	6.7
116.98602	5.5
117.01851	9.3
119.03404	8.6
119.08551	8.6
121.06470	8.4
121.10146	3.1
123.04402	6.1
123.08037	2.4
127.01543	2.3
128.98578	2.8
129.01825	10.1
129.05470	38.1
130.06522	35.9
130.52783	2.6
131.04924	10.7
132.04433	17.5
132.08020	2.3
133.06410	3.6
133.10109	6.8
134.06003	44.2
134.07008	4.4
134.10873	2.4
134.99603	2.9
135.08026	3.9
137.05946	9.4
137.09572	4.4
139.01526	3.9
141.05461	52.9
143.03371	5.3
146.06006	5.2
146.99632	7.8
147.04376	8.9
147.11693	3.5
148.07550	6.8
149.04453	3.4
151.07532	3.0
151.11237	4.0
153.01822	2.7
153.09035	5.4
155.01816	2.2
155.04674	2.9
155.54854	2.7
156.97443	3.6
157.04958	16.8
157.07640	17.5
158.04781	3.7
158.06013	49.6
159.06779	5.4
160.07564	20.9
161.05965	9.8
161.09552	3.4
161.55043	2.5
162.05487	80.5
162.99133	3.5
163.07521	3.3
165.00713	2.4
165.05482	3.9
168.06372	2.2
174.98540	4.7
175.03925	2.7
175.08688	55.8
175.11018	2.5
175.14801	5.9
177.05452	8.0
179.00201	8.0
179.03354	3.3
179.10664	4.6
181.00148	4.6
186.05498	11.1
193.04843	3.4
193.15880	6.2
197.01201	28.6
203.03481	2.7
203.08267	4.1
203.14346	3.8
204.06541	100.0
205.15067	2.5
206.16118	2.6
215.02225	10.1
221.04460	8.1
221.09261	14.9
221.11729	8.3
221.15392	8.2
221.18118	6.4
223.01241	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	220.133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67246	0.3
56.05026	0.8
56.65872	0.2
57.05808	0.8
62.93185	0.2
69.50323	2.2
70.06590	3.3
72.08153	100.0
73.08488	0.7
79.05506	0.4
79.52702	0.3
90.09190	3.7
92.05842	0.4
103.05465	17.1
105.07037	2.0
128.31569	0.3
130.07372	0.4
131.04926	53.3
132.05292	0.8
132.08899	0.5
141.45248	0.3
142.07349	0.7
146.10474	0.3
158.06906	0.3
159.07700	0.3
160.08348	0.4
174.06758	0.4
175.07541	30.8
176.07883	0.9
176.14348	1.8
190.09450	1.7
202.09450	0.9
204.14693	0.8
208.46509	0.3
219.46442	0.3
220.10519	2.9
220.13310	7.9
220.17802	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	220.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15413	0.6
55.05509	3.3
55.93515	1.6
56.96559	3.0
57.02492	0.6
57.07056	1.6
59.45216	0.6
60.04524	4.5
61.02916	0.6
61.04837	0.8
67.05489	0.8
67.15443	0.6
68.05013	1.0
69.03443	3.2
69.07053	1.0
70.06573	2.8
70.95833	1.2
71.59154	0.9
72.07800	1.1
72.08154	13.7
72.93777	1.7
74.02423	1.8
75.64980	0.6
79.05498	1.3
81.03410	1.0
81.07050	4.3
83.06069	0.7
84.04503	1.5
84.63589	0.6
85.06535	0.7
86.06063	9.0
86.09686	1.4
87.04463	21.4
87.10018	1.3
90.05538	0.7
91.05456	2.0
93.07053	1.1
95.04958	1.0
95.08585	1.2
98.06049	30.9
103.05447	1.0
105.07027	1.1
107.04937	2.4
113.07163	0.8
119.04918	1.1
119.08557	1.4
120.08055	0.7
120.08913	0.8
121.06539	0.9
121.10165	0.8
122.07133	1.2
122.10464	1.0
124.07668	0.7
130.06488	3.5
131.04912	2.0
132.04395	1.2
133.10452	1.0
134.10493	0.7
136.08652	1.4
137.09578	0.9
138.09167	0.6
140.10693	21.9
144.95743	0.6
146.06015	2.4
147.04417	2.4
150.96912	0.9
156.10147	1.4
157.07564	1.0
158.05991	2.3
158.11758	100.0
159.12068	1.4
162.05467	0.9
174.05547	2.2
174.11259	1.4
174.13237	1.3
175.03860	0.9
175.08636	4.4
176.99925	2.0
177.05449	0.9
177.12767	1.0
178.97856	1.2
179.18834	0.6
184.09651	1.2
186.05508	0.8
192.06511	1.5
195.01030	1.3
196.99026	0.8
197.01164	1.5
201.35756	0.7
202.14368	9.1
203.14401	1.0
203.64934	0.6
204.06540	1.3
204.14658	7.7
205.15852	4.1
215.02110	1.0
220.09909	0.8
220.11893	1.9
220.15453	11.3
220.17790	25.2
220.98946	0.9
221.04453	1.0
228.25832	0.6
238.99954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89963	1.2
55.01859	3.6
55.05474	1.4
56.96564	12.0
57.03430	3.1
59.04982	3.3
60.04518	2.2
60.21573	1.2
61.02923	7.7
61.03176	1.3
67.05486	1.9
68.99773	6.1
69.03429	2.3
69.07075	1.8
70.98102	2.1
71.01351	75.4
71.04971	1.4
71.22083	2.8
73.02901	4.5
74.06083	3.8
75.04475	19.5
75.50210	1.2
79.05482	2.4
81.03409	2.9
81.07042	4.2
83.04983	1.9
84.08105	1.4
85.02902	4.6
89.02390	2.1
91.05494	3.4
93.07004	2.4
95.08547	2.0
97.02876	2.0
98.97582	8.2
99.00803	3.5
101.02364	6.6
103.03943	29.4
105.07009	3.5
107.04942	3.2
107.08598	2.9
111.00803	7.7
111.04414	2.0
113.02369	4.1
116.98587	5.7
117.01844	10.1
119.01866	3.9
119.03442	1.7
119.08569	5.8
121.10146	6.9
123.08051	1.7
125.02333	2.5
127.00274	6.7
127.01550	1.7
128.98572	2.1
129.01852	4.8
131.03397	54.6
133.10100	6.0
134.99658	2.7
135.11668	2.5
137.05978	1.8
141.01830	4.0
142.02628	2.5
145.01320	13.5
145.04900	4.9
145.10081	3.5
146.06003	1.7
146.99611	2.8
147.08063	1.7
149.02512	1.4
149.04521	1.5
154.94138	3.4
157.04948	9.3
157.07454	1.8
158.05984	2.4
159.02890	61.9
161.09601	2.8
161.13242	4.1
168.01756	3.4
172.95242	8.5
174.05463	1.8
175.08640	1.7
175.11079	1.7
175.14745	1.7
177.00731	2.0
187.11070	2.2
188.11929	2.0
190.96246	5.3
203.14308	35.6
219.17421	100.0
225.59030	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	219.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40173	0.9
55.01866	4.2
61.02924	21.3
71.01351	33.2
71.29317	1.5
72.54770	0.8
75.04476	52.1
78.26519	0.8
84.99273	1.3
86.66661	0.8
87.04464	19.4
89.02391	8.4
92.08907	0.9
93.06989	0.8
98.53362	0.8
98.97615	1.3
101.06041	1.1
103.03938	62.9
107.08571	0.8
110.40469	0.8
115.03954	0.8
117.07096	1.0
119.01897	0.9
119.08617	1.3
121.10126	1.4
121.58509	1.0
131.03389	14.4
133.10135	1.0
159.02885	100.0
160.03238	1.0
161.04457	1.3
164.98904	0.9
172.49268	0.9
187.02379	8.5
203.14317	7.1
204.70547	1.0
219.04999	8.0
219.17421	20.4
237.02802	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05504	1.8
57.03434	1.1
67.05497	3.1
69.07050	2.5
69.55526	2.9
69.55943	5.3
71.04985	1.2
72.08133	3.8
73.08283	1.0
79.05462	2.0
80.38818	1.0
81.07028	2.5
82.48930	1.1
83.04918	1.3
91.05472	15.6
93.07028	3.8
95.04922	1.2
95.08591	1.6
98.21413	1.4
103.05457	2.7
105.07038	6.1
107.04932	1.2
107.08578	2.3
111.16198	1.1
115.05449	10.1
116.06229	3.7
117.07024	4.1
119.08593	4.3
121.10130	5.3
128.06238	8.3
129.07001	43.0
130.07806	2.1
131.04916	12.2
131.08560	39.7
133.10132	12.3
135.11656	1.2
137.05969	3.4
141.06981	35.3
142.07384	1.1
143.04884	2.2
143.08569	2.5
144.05705	5.2
145.06471	10.3
145.10106	4.4
146.07249	4.6
147.07855	1.1
147.11646	2.6
151.03972	1.2
156.05638	1.4
157.06479	18.0
158.07274	22.4
159.04405	3.0
159.08054	26.8
159.11687	2.7
160.05180	5.3
161.06007	1.2
161.09572	4.2
161.13255	1.6
162.06747	1.2
163.07565	2.2
165.71469	1.0
168.05585	1.2
169.06482	16.1
169.07787	2.0
170.07286	8.0
171.04434	1.1
173.05981	4.3
173.09709	1.5
174.06758	78.2
175.07530	18.1
185.05873	1.6
186.06752	21.1
186.86227	1.1
187.07571	1.5
188.08318	3.4
189.09099	98.6
190.09427	2.1
191.10684	8.2
197.76416	1.0
201.09097	40.0
201.16338	2.2
202.09357	2.2
203.14299	7.6
219.10147	100.0
219.17407	29.9
220.10455	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	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09380	4.3
56.96551	10.1
57.03434	10.4
61.02931	9.0
69.60476	35.3
69.60838	5.1
71.01351	4.9
71.04993	6.4
72.08157	8.2
73.02919	15.1
79.91522	5.8
81.03407	7.9
84.08131	14.2
85.02911	15.1
88.88899	6.5
94.06572	15.0
98.97579	18.6
99.04484	5.8
109.02898	8.2
110.33012	4.5
116.98595	22.3
119.01936	26.2
121.01655	10.2
123.66643	5.0
128.51479	4.8
130.12222	6.1
133.10069	4.4
134.99684	11.9
138.66451	5.0
139.02641	7.1
143.01921	5.3
146.99597	6.2
147.03290	6.1
153.04062	5.0
155.01932	5.5
161.02980	4.7
161.95622	4.8
173.02972	16.6
177.00809	8.3
181.05226	6.3
183.05113	8.5
185.03075	6.8
187.21613	4.7
190.05779	10.5
199.06311	6.6
203.14246	35.2
218.99709	4.5
219.02800	5.4
219.10570	9.8
219.17418	100.0
231.50667	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	219.0499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	6.8
56.96539	1.2
59.05001	1.1
61.02925	26.0
70.35646	4.7
71.01351	38.6
72.39333	1.1
75.04478	61.3
76.04842	1.3
84.99259	1.9
85.02958	1.3
87.04462	22.9
89.01945	1.3
89.02398	11.8
98.97567	3.6
99.62967	1.1
101.05999	2.0
102.11193	1.1
103.03937	77.7
103.69236	1.1
116.98598	1.9
121.10099	3.2
131.03398	16.1
159.02882	100.0
161.04286	1.5
180.11949	1.1
187.02379	14.2
203.14362	9.3
219.05034	9.1
219.17424	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	217.1587
Annotation	iso-Debromo-laurinterol
Peak:m/z	Relative Intensity
53.03933	4.5
55.01855	2.3
55.05508	42.6
56.96556	1.9
57.07066	2.0
59.04987	4.0
67.05503	13.7
69.03411	5.8
69.07072	7.2
70.06597	1.8
71.59827	2.3
73.02907	3.3
74.97636	1.2
79.05491	78.8
80.05836	1.1
81.07052	18.9
83.04977	58.9
83.08616	3.8
85.06536	3.1
87.04461	6.4
89.02394	4.7
89.06033	8.5
89.08751	1.3
91.05489	14.3
93.03391	1.5
93.07045	15.4
95.04971	6.9
95.08607	13.8
98.97573	2.0
99.04441	4.3
101.06017	18.5
105.07029	28.1
107.04952	61.8
107.08590	53.1
107.09698	1.6
107.31493	1.3
109.06496	3.3
109.10161	21.7
111.04435	67.1
113.05994	11.1
115.05473	1.5
116.98647	1.6
117.06990	2.4
119.08572	18.1
121.06489	2.5
121.10136	12.3
122.07278	2.5
123.08076	4.3
125.09672	2.2
127.07546	9.5
128.06198	3.0
129.05478	27.1
129.06990	3.0
131.08563	5.3
133.06528	2.2
133.10121	38.2
135.08086	2.0
135.11682	9.4
137.05983	2.9
137.09610	27.2
142.07790	2.0
143.08621	5.9
144.09363	1.9
145.10089	3.3
146.07263	2.9
147.06468	1.9
147.08038	2.8
147.11696	6.8
155.07025	100.0
156.07439	1.8
157.10107	5.0
159.08061	2.5
159.11615	7.7
160.05234	1.6
161.09624	32.8
161.13266	4.0
171.11656	3.7
173.08095	57.5
173.13252	4.5
175.11179	4.7
175.14815	11.5
182.18477	1.4
189.16417	5.3
199.07733	1.6
199.09589	6.8
199.14815	12.0
199.18980	1.6
204.35590	1.3
204.90689	1.4
210.65634	1.2
217.08635	5.2
217.10648	46.6
217.15871	76.8
217.19533	7.9
218.16350	1.7
218.21170	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	218.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68528	4.5
55.05508	16.6
56.05844	12.0
56.96569	22.0
57.07094	5.1
70.32845	4.6
70.36131	17.8
73.02918	5.5
76.31051	4.7
79.71161	4.6
83.04988	22.1
84.05316	15.5
89.06084	5.1
98.97572	23.8
101.00916	7.5
101.06033	6.5
102.06396	5.6
111.04485	18.6
112.04787	27.1
116.98639	28.9
118.03493	11.1
119.01911	55.2
120.02041	11.9
121.01642	9.8
129.05487	8.2
130.05833	14.8
134.03012	7.5
134.99629	35.4
137.02956	33.2
139.00873	5.1
146.03548	7.3
147.96907	5.4
153.00708	13.5
155.07042	15.5
156.07350	42.2
156.97501	4.9
160.04549	9.9
161.02974	15.6
165.98065	6.0
168.01163	6.0
168.97520	8.2
172.01530	7.7
174.08498	21.1
174.97289	6.4
176.04080	12.6
177.00957	34.1
177.02396	10.5
177.98064	11.5
189.01842	5.7
190.02361	6.7
190.95360	9.7
195.98061	20.8
200.04147	6.9
204.98737	7.1
213.02454	7.8
213.04309	6.4
213.06181	8.4
217.98894	8.1
218.03494	7.0
218.11137	22.3
219.01974	100.0
219.03897	7.8
230.93304	4.9
235.99960	14.0
236.99525	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	217.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91272	1.1
55.01863	2.8
55.05507	33.9
56.96565	2.7
59.04978	2.6
67.05492	2.7
67.89400	1.0
69.03410	4.1
69.83476	5.6
69.83881	2.4
70.06586	1.2
71.04964	1.4
73.02897	2.7
81.03394	1.8
82.99834	2.0
83.04979	52.4
83.08619	2.7
85.01382	1.3
85.06520	4.6
85.07040	1.0
87.04465	6.5
89.02371	4.7
89.05650	0.9
89.06033	11.0
94.92988	2.1
98.20882	1.6
99.04444	4.1
101.00850	7.7
101.06013	23.1
103.02446	12.7
109.57335	1.1
111.04436	62.7
111.08075	2.1
113.06007	8.5
116.98698	1.2
117.37836	1.0
119.01915	93.9
120.01978	3.1
121.03488	13.3
127.02408	2.4
127.07554	11.7
129.05478	30.0
129.06938	1.2
131.01898	10.1
133.01691	1.1
134.99655	1.8
137.02942	51.5
137.05974	1.9
138.02704	1.3
145.03453	74.0
146.03610	1.5
147.01381	6.0
147.06505	2.0
149.02995	6.4
153.00731	1.1
155.07024	100.0
161.02989	1.8
163.04526	50.4
164.04691	1.6
168.05075	2.5
171.01361	4.6
173.03026	5.7
173.08093	58.2
174.98567	3.9
189.02414	27.1
191.04112	5.2
193.01965	2.1
199.00972	1.4
199.09637	6.9
205.03656	1.3
205.53914	1.2
207.03513	16.0
216.84810	9.6
216.99632	3.4
217.01936	5.8
217.05130	1.6
217.07019	3.4
217.10689	51.9
235.02945	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	217.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91272	1.1
55.01863	2.8
55.05507	33.9
56.96565	2.7
59.04978	2.6
67.05492	2.7
67.89400	1.0
69.03410	4.1
69.83476	5.6
69.83881	2.4
70.06586	1.2
71.04964	1.4
73.02897	2.7
81.03394	1.8
82.99834	2.0
83.04979	52.4
83.08619	2.7
85.01382	1.3
85.06520	4.6
85.07040	1.0
87.04465	6.5
89.02371	4.7
89.05650	0.9
89.06033	11.0
94.92988	2.1
98.20882	1.6
99.04444	4.1
101.00850	7.7
101.06013	23.1
103.02446	12.7
109.57335	1.1
111.04436	62.7
111.08075	2.1
113.06007	8.5
116.98698	1.2
117.37836	1.0
119.01915	93.9
120.01978	3.1
121.03488	13.3
127.02408	2.4
127.07554	11.7
129.05478	30.0
129.06938	1.2
131.01898	10.1
133.01691	1.1
134.99655	1.8
137.02942	51.5
137.05974	1.9
138.02704	1.3
145.03453	74.0
146.03610	1.5
147.01381	6.0
147.06505	2.0
149.02995	6.4
153.00731	1.1
155.07024	100.0
161.02989	1.8
163.04526	50.4
164.04691	1.6
168.05075	2.5
171.01361	4.6
173.03026	5.7
173.08093	58.2
174.98567	3.9
189.02414	27.1
191.04112	5.2
193.01965	2.1
199.00972	1.4
199.09637	6.9
205.03656	1.3
205.53914	1.2
207.03513	16.0
216.84810	9.6
216.99632	3.4
217.01936	5.8
217.05130	1.6
217.07019	3.4
217.10689	51.9
235.02945	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	217.0196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12897	0.7
55.05510	6.9
56.96557	3.2
61.44952	0.9
61.75241	0.7
67.05491	1.2
69.52957	5.5
74.27013	0.7
79.65779	0.8
82.99857	1.3
83.04982	9.7
84.35605	0.8
85.01416	0.8
86.12520	0.8
89.06026	1.0
92.05961	0.8
98.97585	1.3
101.00879	11.6
101.06023	2.5
103.02441	12.3
111.04447	12.0
113.06000	1.6
115.16244	0.7
116.98611	1.5
119.01919	100.0
120.02008	2.3
121.03472	11.5
127.02413	2.0
129.05486	3.5
131.01907	10.0
132.01944	1.1
133.03418	1.2
134.99625	1.2
137.02953	46.0
137.56107	0.9
138.03059	1.1
142.03493	1.0
142.80534	0.8
145.03461	70.1
146.03548	1.8
147.01393	6.4
149.03003	5.9
155.07027	16.7
156.97464	3.2
158.21349	0.8
163.04523	48.9
164.04544	1.1
168.05080	1.8
171.01347	3.9
171.11465	1.0
173.02982	2.9
173.08093	8.3
174.98560	6.4
186.06038	1.0
189.00703	1.7
189.02441	30.4
191.03989	4.6
193.00142	2.1
193.01924	2.8
198.98586	1.7
199.00816	1.1
199.09486	0.8
207.03506	17.5
212.04022	1.3
216.84886	3.4
216.99582	5.0
217.01950	5.5
217.10669	7.3
235.02965	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	216.9958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59436	1.1
53.61517	1.6
55.05512	14.8
56.75370	1.3
56.96565	62.3
58.30065	1.6
71.10384	3.0
71.10728	1.5
73.02913	1.8
73.79496	1.3
74.97630	1.3
80.35402	1.2
83.04979	22.2
83.08614	2.1
85.06521	1.4
87.04464	2.1
89.02385	2.1
89.06010	6.0
96.16848	1.5
98.97577	22.2
99.04447	1.7
101.00868	5.3
101.06021	9.1
103.02448	2.8
111.03696	2.2
111.04442	34.0
113.06003	4.0
116.98609	16.8
118.37828	1.3
119.01915	27.6
120.02004	4.0
121.01660	4.8
121.03488	2.9
127.07544	6.1
129.05469	12.2
131.01880	4.2
132.01967	1.8
134.99670	13.5
137.02933	10.5
137.05911	1.5
138.03038	2.6
138.96400	2.6
143.01888	1.7
145.03473	9.8
145.05168	3.0
145.95242	2.0
149.02925	1.8
153.00652	1.9
153.97530	1.4
155.07030	52.7
156.97456	55.6
157.97424	1.5
161.02904	2.1
163.04480	5.7
163.96288	5.5
165.00699	4.8
166.51053	1.3
170.99133	1.3
171.01314	3.0
172.95178	2.0
173.08093	31.6
174.98540	100.0
175.98602	2.8
177.00729	2.6
177.28825	1.5
177.43600	1.3
179.00009	2.4
179.98985	1.7
180.97435	3.1
181.00107	1.4
183.01735	5.7
189.00171	5.4
189.02429	3.9
189.04129	2.8
190.14987	1.5
192.98656	1.9
193.00243	21.3
194.00587	1.7
198.98526	25.8
199.09673	4.0
200.93086	2.2
211.01256	7.6
212.01714	2.8
212.93158	3.3
216.96457	10.1
216.99591	73.4
217.03616	2.5
217.10701	27.9
217.99745	2.2
230.94273	9.3
234.99747	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	216.0866
Annotation	Succinylproline
Peak:m/z	Relative Intensity
52.16479	1.0
53.03944	1.7
54.06815	1.1
55.01868	7.3
55.05495	4.7
56.05028	2.6
56.96284	2.0
56.96558	27.2
57.03424	3.4
58.06588	4.7
60.04501	1.3
60.95853	2.1
61.02914	3.4
65.03935	9.6
67.05496	5.3
68.05019	2.9
69.03414	3.2
69.57986	7.7
70.06595	5.3
70.98090	1.8
71.01317	1.3
71.04990	2.2
71.95245	2.2
72.08152	11.4
73.02908	4.0
73.07856	1.2
73.08478	6.1
74.06071	2.8
77.34169	1.1
79.05492	1.5
80.01354	2.1
80.04999	2.3
81.03402	1.6
81.07050	1.5
81.87748	1.0
82.02924	3.3
82.06567	6.6
83.04972	7.8
84.04524	2.5
84.08129	2.9
84.96016	3.1
85.02904	6.7
85.06512	1.1
86.06053	3.0
86.09674	2.1
87.04449	1.3
88.99118	2.3
91.05472	1.1
92.05009	14.6
93.03410	7.6
94.02924	18.4
94.04190	1.5
95.04985	7.4
95.92740	1.1
96.04487	7.4
96.90269	1.1
97.02881	4.6
97.06556	1.1
98.02407	1.2
98.06052	5.6
98.97557	10.3
99.04436	1.5
100.05591	1.1
106.25121	1.0
107.00188	1.4
107.04887	1.1
108.04447	1.2
109.06493	3.6
110.05358	1.9
110.06046	17.0
111.04436	13.6
112.03962	10.3
112.07613	1.8
113.04758	1.9
113.05993	1.3
114.05496	2.0
115.03894	1.6
116.00211	1.2
116.07095	3.3
116.98611	8.4
118.03606	1.0
119.01895	6.1
120.02016	2.8
120.04459	34.2
121.01655	3.0
121.02841	6.2
122.02320	1.4
122.05994	1.2
123.04351	1.0
124.03932	7.0
124.07575	4.3
124.95462	2.9
125.02336	3.6
125.05988	2.0
126.05511	32.8
126.09124	1.4
127.03932	2.3
128.07045	3.2
128.98578	2.5
129.05466	1.8
130.02855	1.0
130.32980	0.9
131.00136	1.0
134.01215	1.8
134.06003	2.5
134.99638	4.0
135.03320	1.1
135.04411	2.8
137.02937	2.6
137.05927	1.4
138.05489	25.4
139.02716	1.6
139.03868	4.7
139.06290	1.2
140.07048	1.9
142.05019	1.9
142.08510	1.1
142.96529	9.3
143.00136	1.3
144.06503	3.3
145.03470	1.7
148.02777	1.9
148.03920	28.9
149.02335	2.4
150.01756	1.6
152.07063	18.0
153.00679	1.3
153.05460	4.2
154.04950	1.1
155.06998	6.0
156.06519	4.7
157.04976	2.2
160.97577	11.0
161.01329	1.1
162.05542	1.5
163.04431	1.1
165.00700	1.7
165.04205	2.0
166.04997	29.1
170.08087	3.1
170.11688	1.6
173.08116	3.0
174.99141	3.6
175.04436	1.2
177.00616	1.3
180.06551	22.3
184.06024	5.3
185.02905	1.1
186.99269	1.3
188.09264	3.6
193.00241	9.4
198.07600	27.5
198.11261	1.9
211.01126	1.7
216.08669	100.0
216.12192	4.5
216.14133	7.0
217.08917	1.7
217.10805	2.0
217.12863	1.4
219.01712	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	215.1391
Annotation	H-Pro-Val-OH
Peak:m/z	Relative Intensity
53.03933	0.4
53.58384	0.4
55.01857	0.5
56.05019	0.6
56.96561	1.8
57.03411	1.2
58.06597	11.1
59.07374	0.5
60.08144	1.6
61.02904	0.7
64.72519	0.4
68.05019	0.4
69.03411	0.5
69.54636	0.3
69.63519	2.8
70.06250	0.7
70.06593	7.3
70.48587	0.4
70.98088	0.4
71.01305	0.4
71.04969	1.2
72.08151	49.5
73.02914	0.8
77.00880	0.4
81.03384	1.1
82.06558	0.5
84.04470	0.4
84.08128	7.1
85.02882	1.3
85.76639	0.3
86.03668	1.0
86.06075	1.9
86.09711	0.5
87.04472	0.6
88.07616	1.2
95.04969	0.4
96.04509	0.4
98.06064	2.0
98.09650	1.1
98.97587	0.9
100.07591	0.7
101.00854	0.8
107.04944	1.5
110.06005	0.6
112.07585	2.2
112.68820	0.4
114.05498	1.4
116.07067	2.5
116.10696	1.2
116.24607	0.4
116.98615	0.8
118.08638	0.6
119.01920	2.5
120.01993	0.4
120.04463	0.8
125.07078	0.6
126.09129	0.6
128.07077	2.2
128.10666	0.7
128.98564	0.5
130.08727	0.4
131.01894	0.5
147.99994	0.4
151.09486	0.5
155.02742	0.4
156.06541	1.3
158.95296	0.5
167.96417	0.4
169.13353	40.2
170.13672	0.4
173.02866	0.4
177.00691	0.5
185.02963	0.4
187.00911	0.5
188.05980	0.6
190.96251	0.4
198.07573	0.5
198.14980	0.5
208.99687	0.4
215.13898	100.0
216.08693	1.6
216.12279	0.6
216.14192	1.9
216.15979	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1848
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03934	3.9
55.01853	5.9
55.05262	3.6
55.05512	47.1
56.96569	11.6
57.03427	4.0
57.07073	13.7
59.04977	5.0
61.02870	1.7
62.54929	1.6
65.03947	2.7
67.05498	25.9
69.03416	4.8
69.07066	96.2
69.71394	12.4
71.04995	18.0
71.08626	2.3
73.02915	1.8
73.06555	3.6
77.60005	2.0
79.05488	17.0
81.07056	69.6
83.04975	8.5
83.08615	23.8
85.02951	1.9
85.06065	3.0
85.06543	38.9
88.07625	2.3
91.05474	10.9
91.21918	1.9
93.07039	44.2
95.04964	4.5
95.08605	100.0
97.06538	12.1
97.10175	19.6
98.21484	2.5
98.97580	6.5
99.08092	29.0
103.05476	2.5
104.74282	1.8
105.07013	9.7
107.04964	11.9
107.08591	57.0
109.06531	3.8
109.10149	34.2
111.04447	1.8
111.08051	5.3
111.08763	1.8
111.11712	9.5
113.09624	12.7
115.05405	2.0
116.98611	6.2
119.08540	4.1
121.10143	77.1
123.11717	12.7
125.05988	3.3
125.09631	10.2
125.13280	2.0
128.06207	2.3
128.98549	2.2
129.02771	1.8
129.06946	2.0
131.08444	2.3
133.10165	2.9
134.99600	5.2
135.08031	3.8
135.11696	43.4
137.13257	38.1
139.03894	6.8
139.07590	2.0
139.11188	13.6
142.07738	3.2
147.11656	1.9
148.97371	2.2
149.09624	2.6
149.13229	6.5
150.06184	1.9
151.14830	6.3
153.05513	3.2
153.12764	8.9
157.06505	2.7
157.10146	6.1
158.99709	3.0
159.11667	2.2
163.07642	3.2
167.07034	16.5
167.08481	3.1
168.06387	2.0
171.11613	2.7
175.51717	1.8
177.00711	4.9
177.04897	5.0
177.16386	77.0
178.79358	2.2
185.05934	2.4
185.09601	2.3
195.08226	2.2
195.17430	20.6
209.09187	2.3
213.05484	7.7
213.09171	7.2
213.12845	4.5
213.16321	5.5
213.18494	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	213.1121
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
51.27337	0.3
53.00301	0.3
53.03942	0.9
55.01862	0.9
55.05506	0.8
56.96571	1.6
57.03426	0.6
57.07072	0.4
63.00039	0.8
65.03928	0.8
66.04713	0.2
67.05499	1.0
68.99783	0.4
69.03417	0.6
69.07064	2.4
69.54855	2.1
71.05009	0.4
78.04720	2.3
79.05488	9.2
81.03426	0.6
81.07044	1.4
83.04981	0.7
83.08627	0.6
85.02885	0.5
88.07613	0.3
91.05477	7.6
93.03362	0.5
93.07040	1.6
94.04198	0.4
95.04966	4.4
95.08595	1.0
96.05755	0.3
97.02834	0.3
97.06528	0.3
97.10162	0.3
98.97579	1.3
103.05463	9.3
105.03406	0.4
105.04481	0.3
105.07022	6.4
106.04156	2.1
107.04950	60.8
107.08600	3.2
108.05268	0.5
109.02868	0.3
109.06503	1.2
109.10116	0.7
111.04440	0.9
111.08093	0.7
111.11717	0.8
115.05446	4.2
116.98636	1.6
117.07008	1.9
119.04935	2.6
119.08573	1.5
120.05725	2.1
121.06554	1.3
121.10143	1.4
122.03622	0.4
123.04426	5.6
123.08041	0.5
124.05209	4.1
125.06003	2.0
127.07523	0.3
129.07002	0.4
131.04924	2.3
131.08575	0.6
133.06477	0.7
134.03648	0.6
134.99669	1.3
135.04420	1.0
135.08046	15.8
137.05919	1.3
139.03906	1.1
139.07523	0.7
145.07617	1.0
146.99670	0.4
147.04391	1.3
147.08064	1.3
148.05211	0.4
149.05975	1.0
149.09630	1.9
151.03906	1.6
151.07533	0.4
152.04691	2.7
152.05890	0.4
153.01823	0.9
153.05441	1.7
153.06802	0.3
154.06241	2.4
163.03918	0.7
163.07539	25.8
164.08046	0.3
165.05446	0.9
165.09138	0.7
167.07031	100.0
168.04189	0.3
168.07390	1.4
176.44238	0.3
177.00687	0.6
177.09096	2.7
180.07816	2.9
181.08577	0.6
185.09563	0.5
192.62801	0.3
195.08131	0.9
195.10155	14.4
195.13788	4.9
213.05527	0.5
213.09126	1.2
213.11218	4.8
213.14609	0.4
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	C-veratroylglycol
Peak:m/z	Relative Intensity
51.02382	1.1
53.03932	2.9
55.01868	1.9
55.05514	2.0
56.96558	15.1
57.07051	1.0
61.02914	9.2
61.77447	0.8
65.03931	9.0
67.05509	4.6
68.96349	1.0
68.99787	1.0
69.07054	2.5
69.69384	6.1
70.06588	1.6
70.94236	1.9
72.08140	2.2
72.93803	1.4
79.05489	19.5
81.04575	1.0
81.07050	2.6
83.04980	1.7
83.08599	1.2
85.02908	1.1
88.07635	1.3
88.95274	1.9
89.03918	2.1
91.05473	8.3
93.03416	2.8
93.07037	1.5
94.04179	0.9
94.05193	0.9
95.04952	8.0
95.08610	1.9
98.20748	2.1
98.97604	2.3
103.05499	1.0
104.63026	1.0
105.03399	3.6
105.04516	1.7
106.96351	1.5
107.04950	31.1
107.08575	1.6
108.02098	3.8
109.02852	1.4
109.06494	2.0
110.03649	26.0
111.04441	19.1
114.06701	1.1
116.00266	1.2
116.98625	3.8
117.03392	2.0
117.54836	0.9
119.04185	1.0
119.04933	4.7
121.06491	11.4
122.03640	6.1
123.04427	2.1
124.05160	1.1
125.05982	60.5
125.09611	1.1
130.96289	3.5
133.02843	14.4
134.03632	1.6
134.40298	1.0
134.99666	4.0
135.03381	1.8
135.04407	26.8
135.05406	1.9
135.08057	1.0
136.01619	1.0
137.05995	4.4
137.09569	1.1
139.03975	1.0
140.04643	2.2
141.05473	7.2
146.99648	2.6
148.97346	13.8
149.05966	23.0
150.00726	2.4
150.03102	10.5
151.03899	100.0
151.05020	10.3
152.04311	1.8
153.00703	1.6
153.01826	4.1
153.05429	16.1
153.06569	1.3
153.09106	1.0
155.99670	1.6
162.03148	2.4
163.03909	8.3
165.05473	35.9
165.06880	2.0
165.97612	1.0
166.05849	1.2
166.98393	2.0
167.03404	1.6
167.07031	17.5
171.99030	1.4
174.00749	3.9
177.05452	19.6
188.92438	1.2
189.01842	2.5
189.97609	2.8
190.00214	1.8
192.01843	1.0
195.06546	14.0
207.98689	2.1
208.01279	1.5
213.05534	2.2
213.07529	6.2
213.09390	1.7
213.13269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
51.02370	0.7
53.03926	2.1
55.01859	1.8
55.05501	2.0
56.96555	9.9
57.03421	1.3
59.06106	0.9
59.78257	0.7
60.04509	0.7
61.02922	9.0
65.03931	8.6
67.05505	3.9
69.07056	2.2
69.91758	3.2
72.08157	1.0
79.05054	1.5
79.05487	20.6
80.05009	1.1
81.07053	1.6
83.06104	1.0
83.08620	1.0
84.04485	0.9
85.02885	1.2
86.09687	1.2
88.07632	1.4
89.03895	0.9
91.05479	6.9
91.20853	0.7
93.03378	3.6
93.07041	1.5
94.04214	1.2
95.04974	6.9
95.08581	1.4
97.06547	0.9
97.10139	0.8
98.21508	0.8
98.97577	2.1
105.03395	1.7
107.04948	28.0
108.02081	2.9
109.02893	1.1
109.06502	1.5
110.03653	24.5
111.04441	18.2
111.08102	0.8
116.98598	2.1
117.03365	1.3
119.04927	2.8
121.06486	10.4
122.03672	6.0
123.04459	1.8
125.05982	59.4
129.06975	0.7
130.96277	1.3
131.08586	0.9
131.99733	1.2
133.02834	12.6
134.99660	2.5
135.04401	28.3
135.11745	0.9
135.75179	0.8
136.04831	1.0
137.05965	5.1
140.04707	1.4
141.05495	6.2
143.07024	1.7
146.99629	1.6
148.97379	4.5
149.04768	1.2
149.05966	23.2
149.09422	0.8
150.00761	1.4
150.03114	11.2
151.03897	100.0
151.04999	9.8
152.04314	2.3
153.00652	1.0
153.01881	1.5
153.05447	14.8
155.99684	0.9
162.03143	2.0
163.03886	7.7
165.05458	39.8
167.07025	16.8
167.08397	1.1
167.86760	0.7
174.00757	2.0
177.00818	0.9
177.05461	20.4
188.92459	2.1
189.01842	1.7
189.97606	1.6
192.01831	0.9
195.06497	12.2
198.71814	0.9
207.02730	0.9
207.98795	0.9
213.05626	1.5
213.07419	4.9
213.09377	1.0
228.62817	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0916
Annotation	CJ 14877
Peak:m/z	Relative Intensity
51.02367	1.3
53.03931	4.2
55.01865	12.8
55.05503	1.2
56.96561	11.9
57.03423	2.3
58.02948	3.4
59.04989	3.0
60.04504	1.1
61.02908	5.4
65.03600	2.2
65.03935	37.1
67.05496	6.9
68.04995	2.1
69.03425	3.5
69.78063	6.7
70.06574	2.6
71.01318	1.3
72.93764	1.6
73.02924	1.7
75.04458	4.3
79.05052	1.8
79.05474	15.0
80.01369	2.7
80.04996	3.3
81.03403	2.0
81.07037	3.8
82.02913	4.6
83.01322	6.7
83.04965	1.5
85.02881	4.8
87.04460	23.0
91.05484	8.8
92.04999	50.1
93.03387	12.2
93.05762	2.3
93.07037	5.4
94.02929	7.5
94.04190	3.0
94.06538	3.7
95.04951	14.7
96.04469	5.0
96.05737	1.8
97.02888	2.5
97.05267	12.6
97.06513	4.5
98.06039	5.1
98.20834	2.5
98.97591	7.3
100.03978	3.0
104.04960	4.6
105.03390	17.1
105.04475	3.0
106.02938	1.4
106.06551	12.5
107.04939	6.6
108.04457	2.9
108.05714	5.5
109.02880	1.6
109.05259	2.9
109.06512	11.5
109.07615	1.8
110.06034	13.3
111.04430	5.2
112.03957	7.5
114.05514	3.9
115.03925	1.4
116.98595	8.1
118.06556	4.5
119.03686	6.2
119.04941	1.3
120.04455	100.0
121.02840	4.2
121.06482	1.6
122.06023	4.7
123.04420	2.6
123.06797	1.9
123.08031	3.7
124.03917	3.5
124.07576	12.5
125.05984	10.5
125.06790	1.6
126.01849	4.1
126.05505	9.5
127.03908	1.3
127.90691	1.3
128.07112	1.7
128.98582	2.0
130.02873	41.4
132.04424	1.2
134.05998	44.3
134.99632	7.0
135.04401	14.6
135.06718	1.3
135.53874	1.2
136.03908	3.3
136.07541	6.0
137.04794	2.5
137.05957	8.6
138.03108	3.8
138.05478	13.8
138.06538	1.8
139.03857	2.5
139.99953	1.2
140.07089	1.4
141.04176	5.0
145.02797	1.7
145.81004	1.2
146.99643	2.8
147.03102	1.5
148.03917	41.6
148.97412	3.0
150.05490	4.4
151.03810	1.8
151.06248	5.1
152.07056	40.0
152.08273	2.3
153.01793	2.0
153.05447	24.8
156.06526	12.1
162.05493	66.3
163.03909	12.1
163.06044	1.5
164.03308	1.3
165.04213	3.1
166.04971	4.1
166.08629	15.6
167.07005	5.4
168.06563	2.5
170.99617	1.8
173.54102	1.4
177.00679	3.8
179.05707	2.8
180.06523	40.8
182.08121	3.5
184.09685	4.8
188.54855	5.4
189.00714	2.5
194.08093	28.6
195.06552	1.7
211.94217	1.6
212.07460	1.7
212.09146	36.2
212.16373	4.6
214.03781	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96661	1.1
53.03943	2.1
55.01860	3.3
55.05502	11.5
56.96556	6.5
57.03435	6.9
57.07072	1.7
59.04994	3.8
60.12584	0.9
65.03926	1.9
67.05503	14.2
69.03419	2.9
69.07059	12.1
69.86153	2.2
69.86571	4.0
71.04987	19.7
71.08620	1.4
77.66443	1.0
79.05490	11.3
80.05101	1.0
81.03423	5.1
81.07047	16.8
83.04946	5.0
83.08605	6.9
85.02864	2.0
85.06539	6.4
91.04629	1.0
91.05471	17.0
93.07040	16.6
94.04215	1.2
95.04964	13.3
95.08600	25.5
96.05282	1.1
97.02887	1.7
97.06512	8.2
97.10178	1.9
98.97562	2.0
99.04454	5.7
99.08106	5.3
103.05472	4.9
105.07023	20.0
105.07674	1.7
107.04951	3.6
107.08591	15.6
109.02837	1.7
109.06505	5.2
109.10152	19.3
111.04424	1.3
111.08083	4.1
115.07539	3.9
116.98614	1.3
118.04147	2.5
119.04953	5.7
119.08564	12.3
120.05733	1.1
120.07560	1.2
121.02848	1.5
121.06490	3.1
121.10155	7.9
123.04420	53.5
123.08028	8.1
123.11698	17.5
124.04742	1.6
125.09570	4.8
127.07549	2.3
131.08530	1.9
133.06474	5.7
133.10097	9.4
134.99655	1.6
135.04407	1.9
135.08066	2.8
135.11684	27.8
136.05206	1.4
137.05980	3.7
137.09621	6.5
137.13301	1.8
139.11165	2.8
141.09100	1.9
141.12778	1.7
146.99582	1.7
147.04384	4.9
147.11687	4.2
149.05981	4.0
149.13286	2.7
150.06721	4.0
151.03848	4.7
151.07539	28.9
151.11243	1.3
151.14854	1.9
152.07930	1.0
153.12766	5.2
155.08458	1.1
155.10703	2.5
161.01204	1.2
161.07152	1.8
163.97647	2.4
165.09102	4.5
167.07024	15.3
167.10657	1.6
169.10132	1.4
175.01482	1.6
175.11247	1.4
175.14828	15.5
179.07024	100.0
180.07509	3.7
181.08658	4.2
181.10156	1.2
183.08087	1.3
189.01016	1.8
193.08585	10.5
193.10117	1.6
193.12170	1.3
193.15894	5.5
205.98784	2.7
211.02261	1.0
211.07588	3.6
211.09668	15.0
211.14989	1.4
211.16907	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	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.00209	0.5
53.03939	1.0
55.05510	13.1
57.03421	0.7
57.07074	4.2
59.04999	2.2
65.03931	1.2
67.05501	29.6
69.03424	9.9
69.07065	17.6
69.70648	1.8
69.71078	1.7
71.04996	4.0
71.08625	1.1
77.03916	0.6
79.05482	5.7
81.07050	27.5
83.04976	13.8
83.08611	9.1
85.06537	4.8
91.05474	4.7
93.07042	12.6
95.04964	2.9
95.08601	39.1
96.08932	0.7
97.06528	1.6
97.10149	2.7
97.96000	0.5
99.08089	3.3
101.22323	0.5
105.07030	8.7
107.08591	26.4
108.05739	0.7
109.06503	12.9
109.10148	100.0
110.10471	1.2
111.08056	4.0
113.06042	0.6
113.09657	1.0
117.07032	0.9
119.08573	26.0
121.10140	11.5
122.10569	0.6
123.04439	1.6
123.08059	17.2
123.11693	9.4
125.09612	2.4
127.11182	1.1
133.09109	1.0
133.10124	21.4
135.11681	71.6
136.12007	0.9
137.09610	18.1
139.11186	2.4
145.10220	0.7
147.11642	1.6
149.13237	7.1
151.07521	0.8
151.11192	10.7
151.14816	13.6
153.12744	3.3
160.12502	0.6
163.14821	0.6
165.12756	0.7
165.16374	2.0
166.49947	0.6
167.07079	0.7
175.13313	0.9
175.14818	17.9
179.07047	4.0
193.08618	0.7
193.15872	17.4
211.16962	1.4
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	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03940	1.6
55.01861	1.7
55.05261	1.0
55.05507	13.2
56.96541	2.2
57.03421	3.4
57.07074	4.2
59.05001	5.6
65.03918	0.8
67.05501	25.7
69.03423	3.2
69.06715	1.3
69.07066	18.9
69.57505	3.3
69.57924	2.3
71.04637	1.3
71.04996	14.9
71.08603	0.9
73.06566	0.7
76.53876	0.9
79.05491	9.3
81.03398	3.6
81.07048	31.6
83.04967	3.5
83.08616	10.6
85.02899	1.0
85.06534	5.5
86.15562	0.8
91.05462	5.9
93.06465	1.3
93.07038	21.2
95.04967	3.8
95.08602	100.0
96.08942	1.2
97.02908	0.9
97.06519	9.0
97.10140	4.0
98.97572	1.5
99.04437	3.8
99.08067	3.9
101.06009	2.2
105.07028	9.6
107.08588	20.7
109.06522	2.6
109.10149	35.3
111.08063	3.5
113.09615	1.6
115.07568	7.8
119.08572	17.2
119.65283	0.7
121.10135	12.4
123.04412	2.2
123.08048	5.8
123.11699	18.7
125.09601	6.4
127.07529	1.6
133.10123	15.9
135.08128	0.9
135.11687	33.3
137.09615	9.7
137.13225	2.2
139.11186	4.8
141.09058	1.5
141.12723	1.8
147.11678	3.3
149.13280	7.1
151.07555	1.0
151.11142	1.9
151.14784	2.9
153.12749	5.0
155.10680	2.1
155.75681	0.8
163.14793	8.8
163.97720	1.3
165.09073	1.4
165.12738	1.0
165.16393	2.6
167.07054	5.2
175.01544	1.3
175.14822	22.5
179.07016	2.3
181.08521	1.5
181.15833	2.4
181.98796	0.9
193.12273	1.4
193.15868	22.5
194.16266	1.0
205.98795	1.1
211.07608	1.8
211.11296	1.2
211.16916	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.169
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.13527	1.3
53.03938	2.9
55.01860	4.5
55.05299	1.5
55.05510	17.2
56.96560	3.9
57.03423	3.2
57.07064	3.7
59.04996	1.7
63.51586	1.3
65.03928	2.3
67.05500	24.3
69.03421	3.8
69.07062	13.3
69.78636	8.9
71.04992	14.7
74.05528	1.2
79.05487	22.0
81.03407	6.2
81.07055	48.3
83.04971	10.6
83.08620	8.6
85.06517	7.0
91.05473	18.4
91.83804	1.6
93.07040	53.9
93.07627	3.2
95.04961	14.4
95.08602	54.2
95.52508	1.2
97.06506	3.4
99.08067	9.5
103.05463	4.0
105.07013	19.6
107.08588	63.9
108.08946	1.7
109.02878	3.0
109.06501	5.5
109.10150	41.4
111.04482	2.2
111.08087	5.9
117.07029	1.4
118.04156	2.9
119.04935	5.7
119.07761	2.6
119.08576	24.2
121.06499	5.5
121.10102	11.2
123.03558	2.2
123.04420	30.6
123.06332	1.6
123.08054	6.0
123.11717	14.8
124.04716	1.5
125.09595	4.8
133.02788	1.5
133.06468	4.7
133.10106	19.1
135.11682	79.9
136.12039	2.2
137.05978	4.3
137.09579	5.7
137.13239	4.3
139.11096	1.4
147.04416	3.2
147.11667	6.3
149.05954	3.4
149.13237	6.1
150.06741	4.5
151.03925	2.5
151.07547	17.7
151.11121	2.5
153.12730	6.5
155.04939	1.2
161.05980	1.8
161.07150	1.7
163.14812	100.0
163.97670	1.6
165.05498	1.4
165.09151	3.7
165.16418	1.6
167.07040	23.9
167.14333	2.2
175.11183	1.9
175.14821	22.8
179.07030	56.7
180.07491	2.4
181.08563	4.1
181.15868	5.6
183.01317	3.0
183.15697	1.4
188.00478	1.5
193.08615	6.5
193.12260	3.2
193.15918	8.3
197.01039	4.6
205.98738	3.6
211.05823	1.8
211.07774	3.0
211.09641	12.0
211.13234	2.5
211.15030	2.9
211.16888	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	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03947	5.6
55.01868	5.7
55.05267	3.1
55.05510	43.1
57.03426	8.5
59.05023	2.1
60.94861	1.9
67.05508	37.4
69.03430	10.6
69.07058	10.7
71.04994	5.7
71.59928	4.0
72.78874	2.1
76.47153	2.1
79.05484	33.6
81.03419	100.0
81.07053	41.4
83.04984	47.2
83.08620	40.2
85.02887	4.5
85.06539	3.3
91.05486	34.4
93.07043	18.2
95.04967	39.2
95.08624	19.2
97.02891	4.5
97.06529	7.4
97.10159	9.9
105.07034	24.6
107.04955	8.4
107.08578	9.9
109.06509	10.3
109.10159	9.3
111.08057	12.0
117.06985	3.0
119.08575	23.2
121.06499	2.2
121.10148	8.5
123.08068	3.8
123.11709	2.9
129.06995	11.1
131.08585	16.8
133.06517	2.9
133.10112	16.2
133.80418	2.1
135.11714	3.4
137.09686	2.3
142.07782	2.8
147.08028	3.1
147.11681	15.2
149.09615	10.3
155.08638	2.5
157.10095	15.4
163.97763	2.8
165.12740	4.3
173.79524	2.6
175.11191	20.6
193.12209	36.7
205.55916	2.7
205.98816	3.6
211.13199	16.1
211.14920	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	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02391	1.0
53.03943	4.8
53.80320	0.9
55.01868	6.5
55.05508	41.1
56.96555	2.4
57.03427	9.5
57.07071	1.7
59.04993	1.9
65.03928	1.9
67.05502	32.2
69.03426	9.3
69.07063	12.5
71.01340	0.8
71.04980	5.4
71.59856	1.5
72.61929	0.8
76.31110	0.8
79.05489	33.0
81.03414	100.0
81.07054	38.3
82.03738	1.1
83.04978	47.5
83.08614	34.6
83.09109	1.7
85.02878	1.4
85.06538	3.6
87.04452	1.6
91.05479	35.9
93.07044	21.9
95.04356	1.9
95.04965	34.8
95.08596	15.5
97.02882	2.8
97.06528	7.2
97.10165	7.8
97.70572	0.8
97.99135	0.8
99.04457	0.9
99.08060	2.2
103.05442	0.9
105.07022	24.5
105.19779	0.8
107.04957	7.9
107.08581	10.7
109.06518	7.9
109.10147	5.7
111.04443	2.9
111.08073	11.5
111.08779	1.3
115.05444	1.8
117.07002	1.8
119.04898	1.5
119.08579	20.8
121.06479	1.7
121.10139	9.8
123.04428	2.0
123.08067	4.4
123.11703	2.3
125.05968	0.9
125.09617	3.4
129.06989	11.9
130.73563	0.8
131.08559	12.2
133.06468	3.5
133.10126	13.0
135.11708	2.1
137.05930	1.0
137.09624	4.0
142.07730	3.8
147.08043	4.7
147.11684	15.5
149.09622	8.7
151.07545	1.7
151.11177	1.5
155.08522	1.5
157.10126	14.5
157.26051	1.0
163.11111	1.2
163.97583	0.9
165.12744	4.3
167.07059	2.4
169.10132	1.6
175.11191	18.8
175.14857	1.0
193.12227	35.0
194.05824	0.8
201.35872	0.8
205.98930	1.1
211.09608	1.2
211.13225	14.9
211.14960	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1328
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.03949	0.7
55.01878	1.4
55.05512	4.8
57.03431	1.2
57.07076	4.4
67.05501	11.6
69.03422	0.9
69.07066	20.2
71.04161	0.8
71.04995	6.2
79.05493	8.8
81.03378	0.7
81.07053	19.8
83.04972	6.2
83.08615	1.0
85.06541	8.9
91.05476	23.3
93.07043	21.4
95.04968	10.8
95.08597	4.6
97.06532	1.1
99.04392	0.6
99.08084	1.4
105.07030	29.3
107.04935	1.2
107.08588	9.2
109.06515	22.2
109.10148	8.4
109.89024	0.5
111.08076	0.9
113.05984	2.7
117.07005	0.9
119.08582	7.4
121.10139	2.5
123.04385	0.8
123.08074	2.1
123.11731	3.2
125.05976	1.1
125.09586	0.7
127.07533	2.9
129.06981	0.7
131.08562	8.1
133.10126	100.0
134.10497	1.2
135.08072	1.0
135.11745	0.8
137.05977	9.0
137.09631	1.2
137.13220	0.7
141.05447	0.7
147.11687	22.2
149.09610	2.4
151.07590	4.6
151.11176	61.6
152.11539	0.8
155.07022	17.8
157.10135	1.2
165.12773	4.7
167.07031	1.8
169.08659	1.4
175.11165	8.9
193.12236	21.3
193.15948	0.9
203.91878	0.7
211.13298	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
50.82529	0.9
52.02718	1.1
53.03939	4.2
55.01859	5.7
55.05511	44.7
56.96563	2.8
57.03436	11.6
57.07070	2.9
59.04985	1.4
59.28179	1.2
59.78384	1.0
62.27451	1.2
65.03930	2.7
66.38760	1.2
67.05504	37.6
67.05871	1.8
69.03429	13.9
69.07059	16.4
70.30150	0.9
71.05005	5.8
71.60333	1.3
72.28181	1.0
73.02966	1.1
77.03960	1.6
79.05491	38.1
81.03415	100.0
81.07053	43.4
83.04980	54.5
83.05360	1.3
83.08611	32.2
85.06530	3.1
91.05479	36.4
93.07038	22.8
95.04964	39.7
95.08603	20.9
97.02896	3.8
97.06530	4.9
97.10173	8.7
99.08084	3.2
103.05479	1.2
105.06372	0.8
105.07024	24.1
107.04959	7.8
107.08601	14.2
109.06516	9.4
109.10154	20.6
111.04407	2.7
111.08064	13.0
113.06009	1.3
115.05426	2.3
117.07018	1.4
119.04945	1.3
119.08575	27.8
121.06543	2.0
121.10134	10.5
123.04435	3.7
123.08065	6.5
123.11681	3.1
125.09606	3.2
127.07536	1.5
129.07004	12.0
131.08565	15.2
133.06500	5.2
133.10124	16.5
133.74547	1.2
135.11679	8.5
137.09612	3.8
139.11151	2.0
142.07779	3.0
145.10066	2.0
147.08052	4.4
147.11685	15.5
149.09637	8.8
149.13260	1.6
151.07536	1.9
151.11220	2.5
151.14813	1.8
155.08583	1.4
157.10124	19.4
165.12802	3.1
167.07022	6.0
167.10861	1.5
175.11185	19.5
175.14813	3.3
179.07079	2.6
181.08603	2.2
193.12231	41.0
193.15894	3.3
198.48590	1.2
211.07556	2.3
211.09639	1.5
211.13271	15.6
211.14984	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.03930	1.1
55.01867	1.6
55.05509	6.7
56.96555	1.5
57.03435	26.7
57.07076	4.3
59.05005	0.8
62.12223	0.6
65.03931	1.1
66.75220	0.5
67.05502	12.9
68.34927	0.6
69.03422	1.7
69.07066	25.6
69.33532	2.1
69.33954	4.3
71.04990	6.5
77.03882	0.6
79.05495	12.4
81.03422	1.5
81.07054	21.9
83.04984	6.6
83.08594	1.8
83.59481	0.6
85.02903	1.1
85.06543	9.0
89.01942	0.6
91.05476	26.3
93.07040	24.9
95.04961	13.5
95.08592	6.9
96.05272	0.7
97.06517	2.8
99.04430	1.3
99.08045	0.9
103.05434	0.9
105.07027	29.2
107.04958	0.9
107.08595	12.7
109.06519	26.8
109.10158	9.6
111.08082	1.6
113.05997	3.3
116.98633	0.7
119.04987	0.7
119.08582	8.6
121.06512	1.3
121.10161	3.4
123.04439	3.0
123.08062	3.7
123.11716	5.2
125.05989	1.3
127.07562	3.0
129.06996	1.4
131.08574	8.3
133.10123	100.0
134.10483	1.0
135.08028	1.3
135.11725	0.7
137.05974	10.3
137.09633	1.5
139.07549	0.7
140.04684	0.7
141.05495	0.7
143.07018	0.8
147.04388	0.7
147.08070	0.8
147.11671	22.7
149.09630	2.1
149.13205	0.8
149.46080	0.6
151.07567	5.5
151.11174	63.9
152.11560	0.8
153.01811	1.3
155.07024	17.8
157.10133	1.6
163.97795	0.8
165.05481	0.7
165.12770	4.7
167.07042	4.6
169.08585	1.2
175.11174	8.9
175.14810	1.4
179.07059	2.2
181.08583	1.5
193.08566	0.9
193.10423	1.4
193.12233	23.8
196.05278	0.8
205.98773	1.0
211.07532	1.9
211.09642	3.3
211.13264	15.2
211.16907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
50.17120	1.4
50.56306	1.3
53.03928	6.5
55.01870	23.1
55.05508	18.7
56.96563	9.1
57.03415	5.7
57.07060	3.4
64.87645	1.5
65.03938	7.4
65.06876	1.4
67.05502	45.0
69.03063	2.3
69.03423	29.9
69.07072	9.5
71.01366	7.7
71.04987	7.5
71.08591	1.6
71.60334	1.3
79.05488	16.3
81.02966	2.4
81.03412	24.9
81.07058	28.3
83.01345	8.6
83.04984	13.8
83.08611	7.9
85.02898	2.5
85.06521	5.1
91.05481	25.5
93.03387	6.1
93.07039	20.3
94.31293	1.4
95.04964	65.7
95.08602	24.8
96.05260	2.4
97.02866	3.8
97.06493	2.7
97.10152	2.4
98.97559	6.1
99.04424	4.0
99.08072	2.7
101.02348	1.8
103.05456	2.9
103.21367	1.5
105.03389	4.5
105.04488	2.5
105.07037	20.0
107.04925	4.5
107.08599	11.2
109.02860	5.7
109.06523	10.8
109.10165	11.5
111.04416	5.9
111.08064	4.0
113.02356	5.8
113.05949	1.8
115.05442	1.8
116.00230	1.8
116.98590	6.0
117.01852	4.2
117.07011	2.9
119.08577	20.3
121.02829	1.8
121.06496	10.1
121.10129	5.0
123.04424	66.3
123.08056	12.5
123.11681	6.2
125.02375	17.8
125.09616	3.6
127.03864	3.7
128.06210	2.3
129.07008	11.1
131.08499	3.8
133.02838	5.8
133.06468	4.2
133.10085	7.6
134.99643	5.2
135.08041	2.8
135.11681	6.6
137.05939	4.3
137.09583	6.8
139.03889	11.2
143.03365	6.6
146.99669	1.7
147.04358	2.3
147.08061	10.0
147.11656	5.1
149.05972	3.1
151.03900	99.7
151.07481	4.3
151.11115	3.1
152.04443	1.4
153.24208	1.5
155.03368	5.2
155.08531	3.7
157.10069	3.2
158.99522	1.7
163.97705	3.2
165.05461	2.0
165.09177	9.4
165.12558	1.4
167.07059	13.4
169.04961	48.4
169.10069	2.7
175.07539	4.0
175.11177	3.9
175.14818	4.0
177.00635	3.7
179.07018	4.0
181.08585	5.2
188.04695	1.9
193.08609	40.5
193.12239	7.6
193.15820	4.0
205.98785	3.3
211.07703	6.2
211.09633	100.0
211.13101	4.1
211.14964	3.5
211.16905	3.2
212.09865	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	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03942	1.5
55.01853	2.6
55.05510	4.7
55.74026	0.5
56.96551	2.0
57.03436	4.9
57.07062	2.1
59.04987	2.1
65.03928	1.3
66.38625	0.7
67.05178	0.6
67.05505	9.8
68.99787	1.4
69.03423	2.2
69.06776	0.6
69.07069	7.1
70.75828	1.9
71.04989	12.5
71.08598	0.7
79.05492	9.5
80.77906	0.6
81.03425	5.0
81.07056	12.6
83.04988	4.2
83.08614	5.2
85.02914	0.6
85.06540	3.2
91.05479	12.2
93.03423	0.8
93.07045	10.8
95.04958	10.3
95.08604	15.4
97.06538	4.8
97.10144	1.6
98.97550	0.9
99.04443	2.5
99.08084	2.7
101.05964	0.8
103.05473	3.9
105.03414	1.0
105.07030	13.5
107.04951	2.4
107.08594	10.2
108.05718	1.5
109.02869	1.7
109.06528	3.1
109.10151	10.5
110.03652	1.7
111.04420	1.2
111.08073	1.8
115.07573	3.5
116.00160	0.7
118.04153	2.7
119.04947	5.7
119.08581	8.6
121.02866	1.5
121.06503	2.5
121.10143	4.9
122.07270	1.1
123.04427	46.5
123.08056	7.6
123.11703	12.2
124.05232	0.8
125.09618	3.1
127.07546	0.9
129.06999	0.7
131.08562	1.2
133.06500	6.3
133.10126	6.5
135.04385	1.1
135.08076	1.1
135.11688	16.8
136.05194	1.3
137.05972	3.0
137.09615	4.4
137.13208	0.6
139.11192	0.9
141.09077	0.9
141.12810	0.9
147.04407	5.6
147.11658	3.1
149.06000	4.3
149.09567	0.9
149.13243	2.9
150.06769	2.6
150.46719	0.7
151.03918	5.0
151.07539	27.9
151.11180	1.1
151.15038	0.6
152.04720	0.8
153.12743	3.5
155.10696	1.6
157.09999	0.8
161.05904	0.7
161.07117	1.2
163.97708	1.4
164.04626	0.8
165.06892	0.7
165.09175	3.9
165.12732	0.8
167.07040	12.6
167.10719	1.0
167.51489	0.7
175.11148	1.1
175.14824	10.0
179.07030	100.0
180.07521	2.1
181.08572	2.3
181.10059	0.6
181.98781	0.9
183.06573	0.8
193.08582	8.1
193.12231	2.2
193.15932	5.2
205.98813	1.2
211.07739	1.1
211.09618	11.3
211.11458	0.9
211.13144	1.1
211.15083	0.7
211.16916	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	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01862	2.4
55.05501	2.3
56.96540	1.6
57.03422	1.3
57.07058	0.5
59.60944	0.4
63.89960	0.4
65.03921	1.1
66.56336	0.3
67.05503	5.7
68.99770	0.9
69.03394	1.1
69.07075	2.0
69.07369	0.5
71.01348	0.5
71.04989	2.4
71.59547	0.7
78.04679	0.7
79.05055	0.7
79.05486	7.8
81.03424	2.1
81.07056	4.6
83.01331	0.5
83.04986	2.0
83.08600	1.2
85.02903	1.0
85.06522	1.7
91.05472	11.3
93.03360	0.7
93.07037	6.8
95.04963	8.4
95.08037	0.6
95.08595	7.2
97.02843	0.5
97.06491	0.8
98.97574	0.8
99.04443	0.9
99.08061	1.1
103.05437	4.5
105.03398	1.0
105.04460	0.6
105.07021	11.7
107.04953	2.9
107.08588	5.1
108.05716	0.8
108.08158	0.4
109.02838	1.4
109.06541	2.4
109.10135	5.9
110.03664	2.1
111.04398	1.4
111.08054	0.8
115.05396	0.7
116.98550	0.5
118.04160	3.0
119.04930	6.2
119.08585	2.6
121.02830	1.4
121.06506	3.4
121.10123	1.9
122.07279	0.6
123.04417	48.1
123.08047	4.5
123.11675	1.6
124.04741	0.5
124.05183	0.4
125.09585	1.4
127.03856	0.5
129.06961	0.6
133.06474	6.5
133.10104	2.8
135.04387	1.1
135.08055	1.3
135.11705	6.3
136.05176	1.6
137.05992	3.0
137.09607	1.5
140.04631	0.6
141.09152	0.7
146.03633	0.5
147.04388	4.9
147.11638	1.4
148.05138	0.6
149.05965	5.2
149.09573	0.6
150.06755	4.2
151.03929	4.4
151.07533	30.5
151.11133	0.7
151.36897	0.4
152.04716	0.5
152.07935	0.4
153.05423	0.5
153.12775	0.5
155.10619	0.4
161.05931	1.4
161.07137	1.5
163.14810	4.8
163.97687	1.3
164.04684	0.5
165.05484	0.4
165.09073	3.8
166.06239	0.7
167.07016	14.0
168.07692	0.9
168.09254	0.4
169.10095	0.7
170.05763	0.6
175.11284	0.5
175.14809	2.5
177.00688	0.5
178.06213	0.6
179.07016	100.0
180.07384	2.1
181.08536	2.6
183.08046	0.5
193.08582	9.0
193.15950	1.2
205.98703	0.9
211.07745	0.9
211.09644	13.7
211.12939	0.7
211.15047	0.6
211.16867	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03928	1.2
55.01862	2.4
55.05501	2.3
56.96540	1.6
57.03422	1.3
57.07058	0.5
59.60944	0.4
63.89960	0.4
65.03921	1.1
66.56336	0.3
67.05503	5.7
68.99770	0.9
69.03394	1.1
69.07075	2.0
69.07369	0.5
71.01348	0.5
71.04989	2.4
71.59547	0.7
78.04679	0.7
79.05055	0.7
79.05486	7.8
81.03424	2.1
81.07056	4.6
83.01331	0.5
83.04986	2.0
83.08600	1.2
85.02903	1.0
85.06522	1.7
91.05472	11.3
93.03360	0.7
93.07037	6.8
95.04963	8.4
95.08037	0.6
95.08595	7.2
97.02843	0.5
97.06491	0.8
98.97574	0.8
99.04443	0.9
99.08061	1.1
103.05437	4.5
105.03398	1.0
105.04460	0.6
105.07021	11.7
107.04953	2.9
107.08588	5.1
108.05716	0.8
108.08158	0.4
109.02838	1.4
109.06541	2.4
109.10135	5.9
110.03664	2.1
111.04398	1.4
111.08054	0.8
115.05396	0.7
116.98550	0.5
118.04160	3.0
119.04930	6.2
119.08585	2.6
121.02830	1.4
121.06506	3.4
121.10123	1.9
122.07279	0.6
123.04417	48.1
123.08047	4.5
123.11675	1.6
124.04741	0.5
124.05183	0.4
125.09585	1.4
127.03856	0.5
129.06961	0.6
133.06474	6.5
133.10104	2.8
135.04387	1.1
135.08055	1.3
135.11705	6.3
136.05176	1.6
137.05992	3.0
137.09607	1.5
140.04631	0.6
141.09152	0.7
146.03633	0.5
147.04388	4.9
147.11638	1.4
148.05138	0.6
149.05965	5.2
149.09573	0.6
150.06755	4.2
151.03929	4.4
151.07533	30.5
151.11133	0.7
151.36897	0.4
152.04716	0.5
152.07935	0.4
153.05423	0.5
153.12775	0.5
155.10619	0.4
161.05931	1.4
161.07137	1.5
163.14810	4.8
163.97687	1.3
164.04684	0.5
165.05484	0.4
165.09073	3.8
166.06239	0.7
167.07016	14.0
168.07692	0.9
168.09254	0.4
169.10095	0.7
170.05763	0.6
175.11284	0.5
175.14809	2.5
177.00688	0.5
178.06213	0.6
179.07016	100.0
180.07384	2.1
181.08536	2.6
183.08046	0.5
193.08582	9.0
193.15950	1.2
205.98703	0.9
211.07745	0.9
211.09644	13.7
211.12939	0.7
211.15047	0.6
211.16867	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.01609	0.3
50.72888	0.3
53.00280	0.4
53.03958	1.0
55.01874	2.5
55.05090	0.3
55.05504	2.0
56.96566	1.4
57.03428	1.3
58.06615	0.3
59.05015	0.6
65.03941	1.5
67.05500	5.7
68.99801	1.2
69.03423	7.6
69.07056	1.6
70.06582	0.9
71.01353	0.6
71.04987	1.2
71.59784	0.4
73.02911	0.7
77.03978	0.5
78.04721	0.8
79.05488	6.2
79.05955	0.4
81.03429	1.6
81.07055	4.2
82.07423	0.4
83.01323	0.5
83.04977	2.0
83.08621	0.5
85.02897	1.9
85.06532	1.0
89.46868	0.3
91.05475	10.3
93.03415	0.5
93.07044	4.8
94.04205	0.4
94.06574	0.9
94.07413	0.4
95.01331	0.9
95.04962	9.8
95.08589	3.9
96.05278	0.4
97.02896	1.4
97.06533	1.5
98.97585	0.6
99.08090	1.2
103.05457	4.7
105.03364	0.6
105.04504	0.5
105.07027	12.8
107.04948	2.5
107.08591	3.2
108.05744	1.4
108.08919	0.5
109.02875	2.2
109.06499	2.8
109.10140	3.2
110.03659	2.3
111.04430	1.6
111.08074	1.3
113.02370	0.4
113.05996	0.3
115.05482	1.1
116.98602	0.7
118.04158	2.9
119.04941	6.8
119.05968	0.6
119.07757	0.3
119.08569	7.1
120.05746	0.8
121.02862	1.4
121.06496	4.0
121.10151	2.7
122.03614	0.4
122.07291	0.8
123.04422	50.4
123.08048	5.7
123.11728	0.8
124.04720	0.4
124.05223	0.7
125.05988	0.9
125.09618	13.3
125.10543	0.7
126.89194	0.4
129.07001	0.4
131.04927	0.5
132.05582	0.3
133.06476	7.1
133.07433	0.6
133.10112	2.3
134.07101	0.4
134.99734	0.4
135.04411	1.5
135.08058	1.5
135.10802	0.5
135.11659	1.8
136.05203	1.4
137.05956	3.8
137.09598	1.5
139.03891	0.6
139.07501	0.7
141.09135	0.4
146.03621	1.0
147.03236	0.4
147.04404	5.5
147.08052	1.0
147.11681	0.5
148.05147	0.5
149.05991	3.8
149.13203	0.4
150.06763	3.3
150.09953	0.4
151.03949	4.0
151.07535	31.2
151.11171	0.9
152.04645	0.8
152.06996	0.5
152.08076	0.5
153.05490	0.5
153.11757	0.5
155.04845	0.4
155.06992	0.3
155.10652	0.4
161.05954	1.4
161.07076	1.7
163.07442	0.3
163.97716	0.4
164.04668	0.6
165.05524	0.6
165.09106	5.7
165.11075	0.6
166.06256	0.9
167.07028	19.1
168.05800	0.4
168.07578	0.5
168.17502	0.4
169.05002	0.6
175.14790	1.5
179.07019	100.0
180.07454	2.5
180.53084	0.3
181.08577	2.0
186.48462	0.3
193.08600	10.0
193.12251	0.7
193.15816	1.0
205.98698	0.6
211.07603	1.7
211.09616	14.1
211.14680	0.4
211.16820	1.0
212.11830	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01196	0.3
56.05037	0.8
56.96562	1.2
59.85703	0.3
65.03933	0.8
67.05496	0.4
70.06590	3.4
70.21959	1.0
70.22375	0.6
72.08151	100.0
72.93786	0.7
73.08488	0.7
73.20731	0.3
80.85187	0.3
81.03435	0.4
90.09191	11.8
91.05477	0.4
95.04937	1.5
95.06113	0.3
98.97629	0.3
110.06041	0.3
111.04439	1.3
116.98611	0.5
121.02862	42.4
122.03192	0.5
122.06023	0.8
123.04422	0.7
134.99654	0.3
145.96712	0.3
150.05510	0.5
163.97725	0.5
165.05464	44.5
166.05827	0.5
167.07082	0.5
168.06554	0.8
180.05063	0.3
190.66847	0.3
204.98972	0.4
205.98746	0.7
210.07617	1.0
210.11224	7.8
210.15469	0.7
211.02312	0.5
211.42839	0.4
217.91359	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.01877	2.6
55.05492	1.5
56.36264	0.4
56.96562	0.8
57.03423	1.0
57.07059	0.6
65.03931	1.4
65.86071	0.4
67.05502	4.4
68.99784	0.9
69.03409	1.4
69.07053	1.0
70.92793	1.1
71.04977	1.0
79.05065	0.5
79.05487	5.9
79.39212	0.4
81.03410	1.7
81.07049	3.7
83.04969	1.4
83.08619	1.0
85.02898	0.5
85.06522	0.7
91.04961	0.8
91.05476	9.9
93.03370	0.8
93.07038	3.7
94.04168	0.9
95.04963	9.5
95.08604	3.6
96.05284	0.4
97.02879	0.5
97.06519	0.6
99.04468	0.5
99.08076	1.0
103.05482	4.2
105.03371	1.0
105.04540	0.6
105.07023	10.7
107.04939	2.4
107.08573	1.6
108.05752	0.6
109.02861	1.3
109.06522	2.6
109.10158	2.3
110.03647	2.0
111.04443	1.5
115.05447	0.9
118.04151	3.1
119.04929	6.9
119.08552	1.0
120.05726	0.6
121.02856	1.5
121.06511	3.4
121.10159	0.5
123.04425	51.3
123.08041	5.1
125.09628	0.9
132.05722	0.5
133.06470	6.2
133.10085	0.5
134.07274	0.6
135.04419	0.9
135.08028	1.2
135.11679	1.5
136.05232	0.8
137.05972	3.2
137.96678	0.5
139.07564	0.4
141.06981	0.6
146.03575	0.4
147.04413	4.7
149.05991	4.6
150.06760	3.8
151.03925	3.9
151.07536	31.3
152.04704	0.6
152.07997	0.6
161.05957	1.2
161.07101	1.7
163.14767	0.8
163.97679	0.5
165.05409	0.6
165.09148	3.4
166.06201	0.8
167.07037	12.1
169.04866	0.5
178.06340	0.5
179.07025	100.0
180.07471	2.7
181.08601	2.5
183.06467	0.5
193.08600	7.7
193.12256	0.9
211.07721	1.2
211.09628	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	210.076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.7
53.03943	5.0
55.01875	2.8
65.03933	1.9
67.05496	11.6
69.03442	1.4
69.07057	0.7
70.65875	2.1
75.74122	0.6
77.03928	1.1
79.05490	30.2
80.05009	1.3
81.03411	4.7
93.05773	1.2
94.06566	27.0
95.04965	100.0
96.04486	4.4
96.05305	0.8
97.06491	1.1
102.06856	0.6
104.04996	9.1
105.03388	23.2
105.04516	1.4
107.04949	23.5
108.04474	2.6
109.02883	1.4
112.03962	1.1
122.06027	47.0
123.04427	52.0
124.03967	6.1
132.04459	2.6
133.02835	5.8
133.05173	0.7
150.05499	40.5
151.03879	8.3
168.06551	19.1
169.05002	3.6
169.06316	0.6
185.93524	0.6
189.45636	0.6
210.07599	47.7
211.07935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.0759
Annotation	2-Oxo-N-acetyldopamine
Peak:m/z	Relative Intensity
51.02369	0.7
51.79766	0.6
53.03951	3.2
53.87177	0.6
55.01872	3.1
55.70741	0.7
65.03938	1.2
67.05502	11.4
69.03443	0.9
70.65641	1.3
70.66000	1.6
76.44190	0.7
77.03930	1.2
79.05487	30.6
80.05001	1.6
81.03397	5.1
82.02937	0.7
90.06001	0.6
93.05760	1.4
94.06559	28.8
95.04958	100.0
96.04480	4.5
96.05291	0.8
104.04971	9.0
105.03386	25.2
105.04505	1.9
107.04945	26.9
108.04469	2.6
109.02836	1.0
109.61122	0.7
112.03928	1.2
116.83843	0.7
121.05201	1.0
122.06019	59.6
123.04416	66.7
124.03959	6.8
132.04440	2.5
132.18980	0.6
133.02859	7.2
140.07030	0.7
150.03711	0.9
150.05493	58.6
151.03879	10.1
168.06546	21.8
169.05005	4.0
210.07594	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	1.7
55.05501	2.4
57.07063	1.1
62.21621	0.8
67.05514	5.0
69.03426	11.2
69.07073	5.8
69.27196	2.6
69.27621	6.0
71.04958	1.9
79.05467	3.1
81.03418	11.4
81.07053	8.1
83.04980	5.4
83.08599	0.9
87.07961	0.9
91.05482	3.8
93.07029	4.5
95.04456	0.8
95.04971	8.1
95.08607	13.3
97.06516	1.3
99.08080	1.2
105.07017	6.3
107.04964	1.0
107.08593	10.6
108.09192	0.8
109.06513	12.9
109.10133	3.4
110.07259	0.9
117.06961	1.1
119.04926	0.7
119.08575	7.3
121.06464	1.5
121.10140	14.0
123.08062	13.6
123.11697	8.1
125.05949	1.0
125.09568	1.1
131.08560	1.0
133.10110	2.2
135.08043	2.2
137.09621	4.1
137.13225	3.5
145.10109	1.2
147.11731	3.9
147.17899	0.8
149.05998	1.4
149.09612	12.5
149.13240	7.7
151.11169	7.5
153.09157	1.0
163.14940	0.8
165.12747	100.0
166.13078	1.4
173.13193	1.4
181.08617	0.9
191.14307	3.3
194.09383	1.2
209.08017	0.8
209.15356	38.2
229.46913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94891	0.9
53.03936	1.4
55.01853	3.0
55.05509	7.6
57.07058	2.5
59.04998	2.3
65.03937	1.0
66.86902	1.0
67.05502	8.2
69.03429	11.2
69.07069	13.0
69.86040	0.9
71.04974	6.8
76.69378	0.9
79.05493	8.8
79.69990	1.0
81.07056	18.0
83.04976	15.2
83.08620	5.3
83.74132	1.1
85.06562	1.4
91.05476	6.4
92.10064	0.9
93.03463	1.2
93.07052	12.6
95.04962	6.1
95.08610	26.9
97.06503	6.9
99.08085	3.6
103.05452	2.2
105.07030	8.4
106.04164	5.6
107.04924	3.0
107.08590	36.2
108.43737	0.9
109.06511	9.4
109.10147	15.7
111.04411	1.1
111.08061	3.2
113.09613	1.3
114.62136	1.1
119.08564	4.6
121.06499	9.6
121.10146	31.7
121.83521	1.1
123.08080	9.0
123.11694	4.6
125.05981	2.2
125.09639	12.1
131.08542	6.7
133.06497	1.5
133.10126	13.4
135.08051	14.1
135.11688	7.4
137.09607	2.5
139.07527	1.8
139.11189	4.3
143.08549	1.1
145.10138	3.1
147.11662	7.5
149.05995	5.6
149.09642	12.7
149.13260	17.8
151.11182	100.0
152.11467	1.3
153.09079	3.2
158.10893	3.3
163.14803	9.1
165.12758	6.7
167.10651	1.2
167.14351	1.0
173.13283	15.6
177.05469	3.4
191.14301	40.0
209.08028	1.9
209.15353	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.94891	0.9
53.03936	1.4
55.01853	3.0
55.05509	7.6
57.07058	2.5
59.04998	2.3
65.03937	1.0
66.86902	1.0
67.05502	8.2
69.03429	11.2
69.07069	13.0
69.86040	0.9
71.04974	6.8
76.69378	0.9
79.05493	8.8
79.69990	1.0
81.07056	18.0
83.04976	15.2
83.08620	5.3
83.74132	1.1
85.06562	1.4
91.05476	6.4
92.10064	0.9
93.03463	1.2
93.07052	12.6
95.04962	6.1
95.08610	26.9
97.06503	6.9
99.08085	3.6
103.05452	2.2
105.07030	8.4
106.04164	5.6
107.04924	3.0
107.08590	36.2
108.43737	0.9
109.06511	9.4
109.10147	15.7
111.04411	1.1
111.08061	3.2
113.09613	1.3
114.62136	1.1
119.08564	4.6
121.06499	9.6
121.10146	31.7
121.83521	1.1
123.08080	9.0
123.11694	4.6
125.05981	2.2
125.09639	12.1
131.08542	6.7
133.06497	1.5
133.10126	13.4
135.08051	14.1
135.11688	7.4
137.09607	2.5
139.07527	1.8
139.11189	4.3
143.08549	1.1
145.10138	3.1
147.11662	7.5
149.05995	5.6
149.09642	12.7
149.13260	17.8
151.11182	100.0
152.11467	1.3
153.09079	3.2
158.10893	3.3
163.14803	9.1
165.12758	6.7
167.10651	1.2
167.14351	1.0
173.13283	15.6
177.05469	3.4
191.14301	40.0
209.08028	1.9
209.15353	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03959	3.9
53.18113	2.5
53.92225	2.7
55.01859	6.6
55.05507	15.8
57.03428	8.8
57.07066	8.4
59.05003	21.7
63.97675	2.6
67.05498	28.1
67.25848	3.6
67.90408	2.5
69.03427	9.3
69.07064	24.6
70.57258	2.8
70.93288	7.1
71.04978	11.6
71.08628	3.3
79.05486	25.1
81.03438	2.8
81.07048	72.2
83.04960	27.9
83.08601	9.9
85.06539	20.1
91.05462	17.3
93.07030	47.9
95.04969	11.0
95.08604	48.8
97.06533	23.6
99.08076	16.9
101.06049	4.0
105.07018	24.8
105.39257	3.2
107.04952	5.1
107.08583	100.0
109.06510	17.0
109.10130	43.0
111.08077	12.5
117.07047	5.0
119.08600	13.6
121.06502	12.4
121.10128	51.7
123.08042	26.8
123.11728	17.9
125.05941	4.7
125.09609	10.7
131.08565	27.6
133.10117	36.1
135.08034	24.2
135.11682	11.7
137.09637	11.4
139.07567	4.9
139.11162	4.1
145.10138	7.9
147.11674	13.0
149.09604	66.7
149.13246	49.2
151.11169	93.1
151.12343	5.6
153.09111	13.3
158.10863	8.2
163.11140	5.2
163.14812	18.4
173.13249	33.1
191.14317	50.9
209.15350	50.0
214.13458	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05504	8.8
55.05726	1.5
57.03425	5.4
57.07050	4.8
59.04986	4.6
65.03925	1.9
67.05500	12.0
68.99767	2.0
69.03409	5.8
69.07069	16.5
70.15968	7.7
71.04974	6.6
79.05478	10.9
81.03405	3.3
81.07053	34.1
83.04975	21.6
83.08604	6.7
85.02857	1.6
85.06541	8.1
91.05486	11.5
93.07037	32.8
95.04940	6.3
95.08598	26.6
97.06532	11.9
97.10154	1.5
99.04429	2.4
99.08085	23.3
102.89017	1.4
105.07034	15.5
106.69467	1.4
107.04928	4.3
107.08582	59.1
109.06506	14.8
109.10159	22.9
111.04457	2.8
111.08058	10.5
117.06984	1.7
119.08567	6.5
120.58636	1.5
121.06498	8.3
121.10129	35.0
121.11012	1.9
123.08042	14.7
123.11700	8.6
125.06019	7.5
125.09619	16.0
127.07536	1.4
131.08551	14.3
132.16751	1.5
133.10126	26.2
135.08037	18.2
135.11702	6.2
137.09616	10.6
137.95619	1.6
139.07486	7.8
139.11163	3.9
145.10109	4.0
147.11700	8.6
149.09607	100.0
149.13231	31.4
151.11174	54.5
153.09099	14.7
154.09827	2.0
158.10913	3.7
163.11211	3.3
163.14815	13.3
173.13264	21.5
191.14285	34.7
192.88817	1.7
209.15349	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.43948	1.2
53.03935	3.3
55.01852	5.3
55.05506	33.7
56.96542	2.4
57.03418	5.6
57.07072	12.2
59.04983	5.0
65.03919	3.7
67.05505	20.7
68.99789	2.1
69.03078	1.4
69.03427	24.4
69.06723	2.5
69.07065	31.7
70.69218	2.8
70.69579	2.4
71.04986	12.5
71.08612	2.0
77.03893	1.8
79.05057	2.0
79.05487	31.3
81.03388	2.4
81.07055	48.9
83.04978	25.7
83.08610	17.3
85.02878	1.4
85.06550	10.9
91.05473	22.7
93.03392	3.9
93.07040	52.7
94.52277	1.2
95.04960	21.6
95.08601	31.8
97.06520	11.8
97.10159	17.8
99.04440	3.4
99.08088	13.7
103.05435	4.1
105.03367	1.6
105.07025	20.9
106.04154	3.8
107.04945	14.7
107.08587	94.8
109.06519	17.3
109.10154	23.5
111.04425	5.3
111.08071	15.1
113.06014	8.5
117.03346	1.7
117.06993	4.4
119.08576	10.5
121.06499	19.5
121.10138	55.1
122.05996	2.2
123.03561	1.8
123.04419	27.5
123.08047	9.7
123.11716	8.4
125.05988	15.3
125.09622	100.0
125.13255	1.7
127.07536	3.2
131.04919	3.4
131.08575	28.1
133.06439	1.6
133.10138	16.7
134.03635	1.5
135.04407	3.1
135.08052	16.9
135.11676	15.0
137.05968	2.4
137.09610	6.0
137.13246	1.9
139.07552	14.2
139.11180	4.9
143.08638	1.5
145.02852	2.6
145.10114	15.0
147.07996	2.5
147.11693	8.9
149.06009	6.6
149.09612	84.6
149.13264	18.8
150.05495	3.3
151.03882	22.3
151.07549	2.0
151.11183	40.8
153.05392	2.7
153.09100	25.8
154.09875	2.5
155.10594	1.3
158.10907	4.2
163.03902	2.4
163.07541	2.8
163.11227	7.4
163.14812	36.6
163.57503	1.1
165.09087	3.3
165.12758	4.3
167.07059	2.0
167.10670	5.7
167.14308	3.5
168.06551	11.4
172.02499	1.2
173.13258	14.3
177.05478	6.6
181.15858	3.2
191.10706	10.5
191.14302	52.6
209.04443	3.1
209.08093	3.9
209.11977	13.1
209.15355	92.1
210.07622	2.2
210.15709	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.40469	0.8
53.03928	2.7
55.01856	3.6
55.05504	7.2
57.03418	2.4
57.07051	3.2
59.04975	1.1
61.02899	0.9
65.03912	2.5
67.05499	13.1
68.10193	0.7
69.03423	100.0
69.07064	10.2
69.86539	4.2
71.04990	9.2
72.08132	2.5
79.05482	23.5
81.03416	4.3
81.07051	31.7
83.04977	9.2
83.08595	3.4
85.02901	2.1
85.06532	5.1
90.09190	4.0
91.05473	14.9
93.07038	25.3
94.06539	1.2
95.04961	18.8
95.08601	12.1
97.02827	0.9
97.06530	6.8
97.10134	1.3
98.21431	0.9
99.04460	3.7
103.05440	2.6
104.04971	1.2
105.03384	2.2
105.07015	15.1
106.04146	1.0
107.04952	8.7
107.08587	39.4
108.08883	0.9
109.06508	36.3
109.10165	5.4
111.04395	1.5
111.08065	2.8
117.07048	3.7
119.04908	0.9
119.08565	8.8
121.02763	0.9
121.06503	12.9
121.10136	30.8
122.06033	4.9
123.04419	4.2
123.08042	5.0
123.11704	12.1
125.05969	3.0
125.09586	4.5
127.07533	3.2
129.06995	2.2
130.07768	1.2
131.04906	1.4
131.07579	1.3
131.08560	26.5
133.10117	13.7
135.04424	1.9
135.08060	9.7
135.11679	8.9
137.05959	1.4
137.09634	1.0
138.06766	1.6
139.07466	2.1
145.02885	0.9
145.10126	13.8
147.08034	1.7
147.11676	4.6
149.05954	4.3
149.09616	22.6
149.13246	9.0
150.05501	3.2
151.07442	0.8
151.11176	4.2
153.05420	3.0
153.09079	7.9
158.10881	1.3
161.13231	2.9
163.03838	0.8
163.07433	1.3
163.11183	8.0
163.14807	9.7
165.05411	1.1
165.09058	2.1
165.12758	1.5
167.07019	1.6
167.10652	2.5
167.14322	1.9
168.06613	1.3
172.76961	0.7
173.09598	1.5
173.13231	10.2
177.05569	4.4
179.14172	1.1
191.10672	9.5
191.14290	21.6
192.14565	0.9
194.02071	1.7
199.77202	0.9
202.37817	0.8
209.04446	2.4
209.08051	3.1
209.11884	11.5
209.15346	70.5
210.07593	4.4
210.15759	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03937	1.0
55.01867	2.9
55.05502	1.4
57.03418	0.8
57.07074	5.3
59.04988	1.2
65.03928	1.5
67.05505	3.8
69.03443	1.3
69.07053	2.3
69.62810	4.5
71.04983	1.7
71.73956	0.6
78.04721	1.1
79.05473	5.2
81.07052	7.0
83.04989	1.4
83.08618	1.5
85.02893	0.9
85.06530	1.1
85.87635	0.6
91.05473	8.3
91.26309	0.7
93.03400	2.5
93.07041	6.4
95.04972	6.0
95.08604	6.2
97.06534	1.9
103.05463	2.7
105.07032	4.0
106.04169	5.1
107.04946	1.9
107.08591	7.0
109.06512	100.0
109.10136	6.8
109.10809	0.7
111.04399	0.8
111.08056	1.5
119.04958	0.6
119.08553	1.6
121.06489	7.5
121.10136	5.0
123.04415	1.5
123.08067	10.5
123.11670	0.7
125.05992	1.9
125.09631	1.1
129.07011	0.7
131.04922	1.2
131.08548	4.3
133.06458	0.9
133.10123	2.6
134.03600	0.9
135.04428	0.8
135.08043	17.9
135.11671	0.7
135.97090	0.8
137.05888	0.9
139.07584	1.1
139.11143	0.9
145.02831	0.9
145.10146	0.8
147.11700	1.3
148.05193	1.1
149.06001	8.0
149.09612	4.6
149.13286	1.9
150.10385	2.0
151.07491	1.1
151.11185	3.7
153.05461	0.7
153.09071	5.3
158.10889	0.8
163.07584	1.1
163.11060	0.8
163.14813	1.6
173.13306	4.0
176.11833	0.8
177.05510	4.8
179.07059	1.3
181.08627	1.6
191.07048	1.1
191.14301	19.4
194.05600	0.7
209.04562	1.3
209.08055	4.1
209.09834	1.0
209.11674	0.8
209.15359	14.6
209.18559	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	4.6
55.01866	10.0
55.05511	13.7
56.96549	1.7
57.03416	4.9
57.07077	9.1
59.04993	3.1
65.03929	5.5
67.05503	16.2
69.03130	1.7
69.03427	21.4
69.07068	16.6
70.62293	1.6
71.04987	7.0
71.59612	2.2
71.60001	2.4
75.04475	4.3
78.04698	4.0
79.05488	17.9
81.03415	3.8
81.07059	25.3
81.88217	1.3
83.04981	21.3
83.08621	7.3
85.02889	4.7
85.06534	10.1
89.03912	2.8
91.05482	28.4
93.03399	6.6
93.07047	27.6
95.04971	17.2
95.08614	17.0
97.02880	2.6
97.06537	12.0
97.10108	1.7
98.97567	2.7
99.08076	5.8
103.05452	7.8
103.83691	1.3
105.03382	2.2
105.07030	15.4
106.04176	22.4
107.04987	9.1
107.08595	49.4
109.06510	20.9
109.10147	16.2
111.04411	4.0
111.08080	12.6
117.06977	2.6
118.98297	1.4
119.04954	2.0
119.08596	9.3
120.05753	2.1
121.06512	32.3
121.10138	28.6
121.62421	1.4
123.04419	4.0
123.08051	11.8
123.11681	6.8
125.06003	10.6
125.09626	56.8
131.04942	2.8
131.08516	10.5
131.09370	1.4
133.10132	12.2
134.03604	5.7
135.04399	2.4
135.08058	21.7
135.11658	11.2
137.05957	4.9
137.09599	5.1
137.13252	2.6
139.07518	6.3
145.02773	2.2
145.10133	7.8
147.04352	2.8
147.11687	7.0
149.05992	35.6
149.09628	31.0
149.13254	16.4
151.07571	1.7
151.11168	20.1
152.64816	1.4
153.05431	3.5
153.09103	22.3
158.10873	2.4
163.03918	2.4
163.07489	2.2
163.11166	6.2
163.14764	10.7
165.12784	9.4
166.06294	1.8
167.10806	2.4
167.14316	2.8
173.13263	19.1
175.91980	1.4
177.05478	19.5
179.06982	1.8
181.08643	7.1
191.07033	2.1
191.10638	2.3
191.14310	74.3
191.16063	3.7
209.04495	6.1
209.08000	9.0
209.15361	100.0
210.15517	1.6
221.41824	1.7
221.82053	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03931	4.1
55.01859	5.3
55.05508	11.3
57.03420	5.2
57.07063	3.8
57.59215	1.1
59.27597	1.1
65.03941	2.5
67.05497	10.3
69.03429	5.6
69.07066	22.4
69.16025	1.1
71.04992	22.9
71.08615	1.3
71.51286	2.7
77.03890	1.5
79.05491	51.1
79.24444	1.5
80.21561	1.2
81.03417	1.5
81.07057	16.9
83.01347	1.2
83.04980	10.5
83.08592	1.7
90.76829	1.4
91.05483	28.8
91.06068	1.4
93.07040	51.4
95.04965	13.6
95.08600	6.8
97.02870	1.4
97.06521	10.1
99.04430	2.5
103.05450	3.6
105.03407	1.7
105.04535	1.4
105.06381	2.4
105.07038	28.6
106.04144	1.7
107.04955	20.5
107.08591	75.3
109.06512	7.1
109.10152	3.8
111.04436	4.0
111.08085	4.4
116.06268	1.7
117.07027	8.3
119.08566	8.8
121.06505	45.1
121.10142	39.5
123.04411	2.8
123.08059	6.2
123.11674	1.8
125.05997	10.4
125.09631	4.8
129.07040	3.1
130.07773	2.8
131.04839	1.7
131.08565	100.0
133.10118	2.0
135.04401	4.2
135.08064	6.2
135.11647	6.9
137.05972	2.1
139.07597	7.6
139.11128	1.2
141.05460	3.0
143.08537	1.4
145.10114	41.2
147.08018	3.9
147.11688	4.0
149.06006	8.1
149.09612	78.7
149.13297	2.2
150.09958	1.7
151.07579	2.2
151.11189	1.9
153.05466	12.0
153.09106	2.9
155.07043	1.5
163.03957	1.5
163.11185	29.9
163.14786	9.1
165.09077	2.7
167.07022	7.2
167.10674	4.5
173.09662	4.0
173.13316	2.0
177.05466	4.4
186.02644	1.1
191.07068	1.5
191.10669	28.0
191.12349	2.3
191.14291	4.8
199.80775	1.2
209.08344	1.9
209.11728	47.5
209.15318	14.0
210.11990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.01591	0.8
51.02367	1.1
53.03935	3.4
55.01612	1.1
55.01865	11.9
55.05259	1.1
55.05505	15.0
56.96541	1.9
57.03432	5.2
57.07076	5.8
57.07317	1.1
59.04983	2.3
62.00510	0.8
65.03930	3.6
67.05502	28.1
69.03426	10.5
69.07063	22.0
69.30950	1.2
69.31299	8.5
71.04986	17.4
72.08114	1.1
75.04463	0.8
77.03909	1.3
78.04688	1.7
79.05487	51.1
81.03413	4.1
81.07050	40.6
83.04974	20.2
83.08602	7.4
85.02882	2.0
85.06531	7.3
87.04480	0.9
89.03900	2.2
91.04896	0.7
91.05475	38.5
93.03393	3.7
93.07037	55.6
95.04352	1.2
95.04961	20.9
95.08601	33.8
97.02912	1.1
97.06520	13.4
97.10167	6.4
99.04431	2.8
99.08092	7.3
101.06019	1.2
103.05464	10.9
105.03379	0.9
105.07021	32.0
106.04173	9.0
107.04204	1.2
107.04946	30.4
107.08586	85.9
108.05687	0.9
108.08915	1.0
109.02886	1.5
109.06512	15.5
109.10142	16.7
111.04459	5.6
111.08079	9.2
113.05986	1.8
115.05423	1.7
116.06226	1.4
117.03368	1.6
117.06997	8.6
119.04929	2.6
119.06085	0.9
119.07776	1.5
119.08572	18.3
121.06496	53.4
121.10134	43.8
121.10861	0.7
122.05941	1.0
123.04424	4.6
123.08047	10.0
123.11711	7.4
125.05983	14.1
125.09618	10.7
127.07552	3.9
129.07007	6.6
130.07761	2.3
131.04938	5.1
131.08560	69.0
132.08879	1.2
133.06413	1.6
133.10126	12.3
134.03632	3.3
135.04411	2.7
135.08054	16.4
135.11668	16.0
137.05946	3.6
137.09581	4.4
139.07532	5.0
139.11180	2.5
141.05455	1.9
143.08586	2.1
145.02805	2.1
145.06438	2.1
145.10114	38.9
146.10484	0.9
147.04373	2.2
147.08054	6.7
147.11679	10.6
148.05196	1.9
149.04756	1.2
149.05977	33.3
149.09607	100.0
149.13249	16.1
150.09975	1.8
151.07494	0.9
151.11159	10.7
153.05455	6.3
153.09071	6.9
155.08530	1.6
158.10922	2.7
159.04395	2.3
161.13263	1.1
163.03929	2.3
163.07570	5.9
163.11163	30.7
163.14807	16.7
165.09097	14.4
165.12749	5.3
166.06258	1.4
167.06970	3.6
167.10664	10.1
167.14328	2.9
173.09666	9.0
173.13257	20.3
173.14664	1.5
177.05473	19.7
178.06152	1.6
179.10800	0.8
180.07889	1.0
181.08670	4.3
181.09995	0.8
181.12187	1.1
187.67043	0.7
191.07005	2.8
191.10660	47.7
191.14299	38.8
191.16060	1.7
209.04445	2.9
209.08179	10.7
209.11729	54.2
209.15324	50.2
209.17352	1.8
209.18663	1.6
210.12000	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.81326	1.0
51.02371	1.4
53.03926	1.6
55.01864	4.7
55.05498	5.3
57.03429	1.5
57.07072	1.3
65.03943	2.1
67.05170	1.5
67.05504	16.9
69.03419	2.0
69.07067	10.7
69.93391	7.1
71.04991	15.2
79.05487	42.2
81.03405	1.8
81.07056	9.4
83.04971	10.6
85.06531	4.2
87.56169	1.1
91.05476	27.0
92.77647	1.0
93.07035	34.9
95.04957	13.9
95.08594	2.3
97.06522	8.0
99.04458	1.4
103.05482	2.4
105.07025	21.6
107.04951	31.6
107.08591	43.7
109.06517	5.6
111.04440	6.2
113.06030	2.2
115.05465	1.9
115.75975	1.2
117.06990	7.7
119.08572	13.6
121.06511	28.6
121.10133	22.2
123.04420	3.9
123.08058	3.7
125.05984	12.5
125.09647	1.2
129.06990	6.3
130.07765	3.2
131.08562	77.6
132.08830	1.8
135.04411	2.4
135.08025	3.9
135.11671	7.6
137.05914	2.0
137.09610	1.8
139.07559	2.7
141.05467	2.2
143.08575	1.2
145.06439	3.4
145.10110	41.3
147.08043	8.2
147.11661	2.3
149.06049	5.4
149.09612	100.0
150.09955	2.2
151.07452	1.1
153.05489	6.8
153.09071	1.2
155.08554	2.1
163.07541	7.0
163.11171	38.0
165.09132	14.7
167.07034	3.8
167.10687	10.8
173.09613	9.1
191.10657	50.4
192.11026	1.9
209.11716	55.6
209.15257	2.0
210.12206	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1171
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03926	2.1
55.01854	5.4
55.05502	6.1
57.03425	2.5
65.03933	1.6
67.05497	14.6
68.91742	1.2
69.03407	3.2
69.07056	10.3
69.49643	1.1
70.65499	1.0
70.65823	3.4
71.04994	16.9
79.05491	41.6
81.07054	9.7
83.04974	12.8
85.06533	4.2
85.21854	1.1
91.05476	27.3
93.06461	2.5
93.07037	35.7
95.04957	14.6
95.08599	3.5
97.06538	7.4
99.04447	1.3
103.05465	2.8
105.07025	23.5
106.04163	2.1
107.04951	28.5
107.08591	41.3
108.08877	1.2
109.02847	1.4
109.06503	6.3
109.10155	1.7
111.04426	5.7
111.08089	1.4
113.06006	1.4
115.05448	1.8
117.07008	9.3
119.04980	1.7
119.08578	11.6
121.06500	24.4
121.09315	1.8
121.10142	29.9
123.04415	4.7
123.08079	2.8
125.05989	13.0
125.09622	3.1
129.07007	7.1
130.07733	3.0
131.08565	77.9
132.08926	1.8
133.06459	1.8
135.04445	1.6
135.08031	3.7
135.11702	6.6
137.05974	2.0
137.09538	1.6
139.07530	1.9
141.05486	2.8
145.06483	4.6
145.10118	39.9
147.08037	9.1
147.11687	2.9
149.06015	7.4
149.09613	100.0
150.10011	2.9
151.11195	1.8
153.05469	6.3
153.09065	1.4
155.07014	1.1
155.08495	1.4
163.07581	5.9
163.11179	33.0
164.30951	1.2
165.09097	16.4
167.07054	3.7
167.10651	12.2
173.09619	9.3
177.05417	1.5
181.08562	1.5
191.10677	51.0
191.14330	2.5
192.11000	1.7
209.11726	65.1
209.15353	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	209.117
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.83941	0.8
53.03935	3.2
55.01873	7.8
55.05511	7.2
56.96547	1.6
57.03423	3.4
57.07061	2.0
58.06591	0.8
61.02935	1.1
65.03912	2.0
67.05495	10.7
69.03072	1.5
69.03428	22.3
69.06712	1.4
69.07065	21.6
71.04990	19.6
71.51151	1.5
72.08155	10.5
77.03883	0.9
78.04611	1.0
79.05490	57.2
81.03395	3.7
81.07053	17.2
83.04970	11.8
83.08595	2.1
85.02898	1.0
85.06528	1.2
89.03864	1.1
90.09182	12.4
91.05475	27.7
91.98929	0.9
92.05783	1.1
93.07040	50.1
94.06557	6.0
95.04965	31.1
95.08586	4.0
97.02923	1.5
97.06525	13.7
98.97566	2.2
99.04430	2.0
103.05447	4.3
104.05003	4.8
105.03384	4.7
105.04532	1.1
105.07030	34.7
106.04172	2.8
107.04955	29.2
107.08588	58.0
109.06506	14.5
109.10142	2.2
111.04424	3.6
111.08079	2.8
115.03808	0.9
115.05424	2.5
116.98592	2.0
117.03354	1.1
117.07012	8.6
119.04897	1.0
119.08562	9.4
119.09365	1.2
121.02853	2.2
121.06506	41.1
121.10140	35.7
121.11018	1.9
122.06037	10.9
122.10484	1.1
123.04427	16.1
123.08067	6.0
123.11688	2.7
124.03879	1.1
125.05994	12.2
125.09631	3.2
128.06201	1.4
129.07005	3.3
130.07762	3.8
131.04898	2.6
131.08562	100.0
132.08885	2.1
133.02802	1.9
133.06483	4.2
133.10097	2.9
135.04420	9.7
135.08034	7.6
135.11684	8.1
136.05121	4.5
137.05956	3.2
137.09660	1.1
139.07578	6.0
139.11154	1.6
141.05460	3.5
143.08560	1.4
145.06467	1.2
145.10127	42.1
147.08035	4.5
147.11676	6.2
148.05225	2.3
148.08777	1.8
149.05957	11.0
149.09612	77.6
149.13281	1.9
150.05499	11.0
150.06618	1.5
150.09990	1.0
151.03886	2.5
151.07549	4.8
151.11182	2.8
153.05470	15.0
153.09053	2.5
155.08388	1.2
158.99763	1.0
163.03896	3.5
163.07503	3.6
163.11172	33.6
163.14806	2.6
164.11520	1.5
165.05472	2.2
165.09099	3.9
166.06248	4.3
167.07005	9.8
167.10684	4.5
167.14291	1.7
168.06509	4.6
169.04936	1.2
171.06552	1.0
173.09592	3.9
173.13216	2.5
177.00769	1.5
177.05551	5.1
178.04932	1.0
178.06274	8.8
179.03392	2.6
180.07756	2.7
181.08586	2.3
191.07094	1.6
191.10663	40.2
191.14339	5.5
194.05759	8.4
209.04445	2.4
209.08331	7.4
209.11716	67.3
209.15298	21.9
210.07594	10.3
210.11736	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03922	1.2
54.01248	0.8
55.01852	1.6
55.05504	4.0
57.03415	2.7
58.06600	10.6
59.04985	3.3
59.06274	0.8
59.06918	3.8
65.03950	0.9
65.68456	0.9
67.05202	0.8
67.05502	8.1
69.03429	6.7
69.07063	7.6
70.71615	1.5
70.71972	1.6
71.04964	1.7
77.03904	0.9
79.05492	13.7
81.07053	10.0
83.04968	5.9
83.08594	2.2
85.06539	1.1
91.05475	18.3
93.06465	1.6
93.07039	26.5
95.04971	10.9
95.08597	9.5
97.06506	3.4
97.10062	0.8
103.05473	4.4
104.05783	3.5
105.07025	37.5
106.07352	1.2
107.04939	2.1
107.08582	16.7
109.06510	8.3
109.10162	5.4
111.08084	5.6
117.06999	5.9
119.04916	3.6
119.08575	30.0
121.06490	3.8
121.10172	5.8
123.08071	9.9
123.11660	1.1
128.06213	2.1
129.06993	4.6
131.04935	6.1
131.08589	5.0
132.05260	17.5
133.06473	6.8
133.10120	7.2
134.92355	0.8
135.08046	2.2
135.11665	1.8
137.05981	4.1
137.09598	3.8
139.07492	1.9
141.06979	1.4
142.07758	1.8
143.08549	6.3
145.10121	4.4
146.07260	1.4
147.08057	7.6
147.11684	14.3
149.09607	4.4
151.07520	3.6
156.09355	7.2
159.08044	1.0
159.11725	4.7
160.08859	0.9
161.05998	16.1
161.08725	0.7
161.09642	7.1
161.13258	20.1
163.11201	2.7
165.09151	1.2
165.12701	1.1
171.11694	6.4
171.39557	0.9
174.10425	1.1
176.07857	5.0
177.12793	4.2
179.07002	1.3
179.14258	5.0
189.09135	5.1
189.12724	16.1
193.67784	0.8
203.12622	0.8
207.06517	2.9
207.13795	100.0
208.14169	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	207.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39060	1.3
53.03940	1.4
55.05503	5.7
57.07054	2.2
59.05008	1.8
67.05489	6.6
69.03416	6.9
69.07066	4.0
69.33916	15.3
79.05500	7.6
81.03407	1.7
81.07061	12.1
83.04960	5.0
85.02894	6.9
85.06504	3.6
91.05478	22.7
93.07016	8.2
95.04964	4.5
95.08595	10.4
102.69319	1.6
103.05457	3.8
105.07023	40.9
107.04960	6.8
107.08595	15.5
109.06514	16.9
109.10116	2.1
111.08064	2.0
111.63933	1.5
114.86395	1.5
115.05457	2.0
116.06215	2.4
116.21820	1.4
117.07019	4.9
118.04127	3.8
118.04933	1.4
119.04918	6.4
119.08575	42.4
121.06521	7.7
121.10151	18.8
123.08083	18.0
123.11718	7.6
128.06210	5.6
129.07005	10.6
130.00760	1.4
130.07779	4.1
131.04913	5.1
131.08551	13.2
132.05763	2.0
133.06474	6.3
133.10123	11.0
135.08020	1.8
137.09554	3.9
137.13248	1.9
139.07561	1.4
141.06998	3.3
142.07773	1.8
142.97382	1.6
143.08537	6.0
145.06512	4.0
145.10121	13.3
146.03584	2.1
146.07280	6.4
146.10933	3.6
147.08057	11.8
147.11678	40.4
148.05173	5.5
149.09610	11.2
151.07520	9.6
156.09296	13.4
157.06485	1.9
158.07124	1.7
159.08073	6.6
160.08792	3.3
161.05975	100.0
161.09618	23.7
161.13231	20.3
162.06331	1.8
163.11139	8.3
165.09074	3.3
165.12723	3.3
171.11679	7.7
174.06696	2.0
174.10399	9.5
189.09111	19.6
189.10616	1.8
189.10956	2.6
189.12737	37.6
199.66238	1.4
207.06564	2.3
207.10225	5.1
207.13802	51.4
208.14055	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
53.03938	1.9
55.01875	2.7
55.05489	5.0
56.96546	2.4
57.07054	1.6
58.06577	1.2
59.75068	1.1
60.21783	1.3
63.04597	1.1
65.03934	1.9
67.05505	6.5
67.06767	1.1
69.03415	5.9
69.07050	4.6
71.04987	3.4
71.51517	1.7
71.51845	1.4
79.05495	6.4
81.03396	5.0
81.07040	10.1
83.04963	4.7
83.08568	1.3
85.02895	4.3
85.06522	2.7
91.05474	24.9
93.07032	12.1
95.04958	7.7
95.08606	11.8
98.97601	1.3
103.05460	3.4
105.07018	29.1
107.04919	6.9
107.08598	13.8
109.06510	11.0
109.10143	2.7
110.06789	1.4
111.04423	1.9
115.05457	3.7
117.07001	4.7
118.04155	3.3
119.04929	11.3
119.08570	23.7
121.02840	1.6
121.06483	9.4
121.10137	13.6
123.04425	1.7
123.08057	19.7
123.11669	4.4
125.09656	1.3
128.06192	3.9
129.06944	7.4
130.07776	3.4
131.04913	9.8
131.08553	12.2
132.05270	2.1
133.06468	5.2
133.10127	9.3
135.08022	3.5
135.11717	2.0
136.05153	2.2
137.05959	1.6
137.09587	5.6
143.08553	5.1
145.06471	4.1
145.10126	7.8
146.03607	3.9
146.07277	7.6
146.10844	2.6
147.04393	7.5
147.08043	12.3
147.11674	26.3
148.02509	1.8
148.05161	5.0
149.02350	2.1
149.09612	16.8
151.07535	14.9
156.09326	8.6
159.08069	3.0
159.11635	1.5
160.08788	2.8
161.05971	100.0
161.09605	24.6
161.13222	15.5
162.06325	1.9
163.07503	1.6
163.11197	5.3
164.04675	5.6
165.09068	2.0
165.12732	5.6
171.11676	5.0
174.03119	1.8
174.06700	3.7
174.10364	5.6
175.03874	4.5
179.03409	2.3
179.06993	5.4
179.14349	1.8
189.09109	25.9
189.12718	29.3
192.04192	2.5
207.06522	16.6
207.10175	3.8
207.13794	52.8
212.50914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.29796	2.0
55.05499	7.1
57.07050	3.8
59.04990	3.7
64.85825	2.1
67.05499	33.5
69.03410	6.5
69.07050	5.2
70.65599	8.0
71.04998	3.1
79.05498	7.8
80.44364	2.2
80.84033	2.4
81.07050	10.8
83.04966	6.6
85.02909	29.0
85.06539	11.6
91.05477	17.5
93.07047	16.6
95.04943	4.2
95.08601	100.0
98.97558	2.9
105.07032	31.5
107.08594	23.9
109.06491	8.8
109.10136	8.0
114.22511	2.5
117.06995	3.0
119.04925	2.5
119.08583	40.9
121.06498	8.0
121.10122	21.8
123.08062	63.9
123.11710	20.5
125.05993	3.5
128.06248	3.4
129.07028	5.2
131.08554	6.9
133.10091	7.3
135.11659	2.4
137.09621	7.8
143.08588	2.4
145.06488	2.9
145.10121	5.8
146.07213	5.0
146.10899	3.0
147.08023	8.9
147.11678	28.4
149.09610	40.6
151.07520	6.8
151.14801	3.7
156.09364	7.0
161.05978	42.2
161.09621	16.4
161.13271	23.6
163.11227	6.5
165.12775	8.7
171.11678	5.8
174.10400	7.7
179.14272	3.7
189.09117	8.8
189.12733	32.5
207.13794	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02385	1.1
53.03944	6.3
55.01856	2.0
55.05507	8.8
56.06202	0.5
56.67125	0.5
57.81987	0.5
59.04982	0.6
60.03176	0.5
65.03926	1.8
67.05499	25.9
69.06718	0.7
69.07063	7.1
71.05003	2.7
73.06555	1.1
73.57283	0.5
75.20753	0.5
77.03918	1.1
79.05489	49.0
81.03421	2.2
81.07049	22.0
83.04980	2.6
83.08636	2.6
85.06541	1.8
86.02509	0.6
87.04480	0.6
91.05476	54.1
92.05810	0.7
93.07037	100.0
94.07372	1.3
95.04351	1.1
95.04964	21.2
95.08608	10.7
95.09218	0.7
97.00716	0.5
97.06506	2.2
97.10136	1.2
98.20766	1.2
99.08114	0.5
103.05447	0.8
105.04504	2.6
105.07022	31.1
106.07417	0.6
107.04987	1.3
107.08585	11.1
109.06522	5.6
109.10149	1.0
111.08059	1.2
115.05466	1.4
115.96413	2.1
116.97212	1.3
117.07030	5.7
119.04925	0.7
119.08570	17.1
121.06495	2.1
121.10119	3.0
123.08044	5.8
127.07549	2.0
128.06209	1.5
129.06998	11.5
131.08575	1.5
133.10127	7.0
133.97466	1.8
135.08034	0.8
137.09593	0.8
143.08533	5.6
145.10107	8.5
147.04404	0.9
147.08040	3.1
147.11679	51.5
148.11983	0.6
149.09624	1.2
151.07574	0.7
151.11127	0.7
161.01245	0.5
161.09633	3.9
161.13232	8.5
163.11145	1.2
164.70399	0.6
171.10240	1.1
171.11678	21.8
175.04048	0.7
179.14223	0.6
180.68823	0.7
189.12724	11.6
207.06525	1.1
207.11888	0.6
207.13777	18.9
207.17036	0.9
208.14122	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03936	5.9
55.01871	1.1
55.05513	6.7
65.03928	1.1
67.05502	28.0
69.07063	6.1
71.05007	1.6
71.12321	1.9
72.75164	0.9
73.06556	1.7
79.05489	50.8
80.05819	1.5
81.03402	1.4
81.07056	21.1
83.04971	2.5
83.08619	3.8
83.27848	0.9
85.06554	2.7
91.04890	1.1
91.05479	53.4
93.07041	100.0
94.07383	1.3
95.04971	18.4
95.08614	8.1
97.06532	1.9
99.04491	0.9
105.04516	3.4
105.07024	28.3
107.08595	10.0
109.06512	5.0
117.07005	3.5
119.08572	15.7
121.06527	1.6
121.10164	2.7
123.08065	3.8
127.07581	1.6
128.06198	1.3
129.07007	10.0
133.10156	5.7
143.08553	4.8
145.10103	8.1
147.08070	2.5
147.11684	54.0
148.12012	1.0
161.09630	4.1
161.13214	7.2
168.03169	1.1
171.11682	22.1
189.12735	11.3
207.06534	1.2
207.13808	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	207.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
53.03940	0.5
55.01862	0.6
55.05510	1.4
56.96553	1.0
57.03425	0.5
57.07069	0.4
59.04994	0.5
61.61076	0.2
65.03934	0.5
67.05499	2.1
68.99797	0.2
69.03426	1.3
69.07063	1.2
71.04446	0.4
71.04985	0.8
71.16522	0.2
79.05488	2.7
81.03407	0.8
81.07055	1.9
83.04974	0.8
83.08633	0.3
85.02893	0.7
85.06527	0.2
89.03912	0.3
90.94727	0.2
91.05477	11.8
93.07040	2.5
95.04961	1.9
95.08604	3.3
97.02867	0.3
97.06500	0.3
98.97583	0.4
99.04461	0.3
103.05463	2.6
105.03380	0.4
105.07027	9.2
107.04942	2.6
107.08582	2.8
109.06517	1.8
109.10145	1.5
111.04432	0.2
111.08064	0.4
115.05492	1.1
115.16607	0.2
116.06228	1.5
116.98567	0.4
117.06987	1.9
118.04153	3.7
118.07824	0.4
119.01992	0.2
119.04935	4.8
119.08577	5.4
121.02888	0.3
121.06497	4.3
121.08435	0.3
121.10130	3.0
123.04423	0.8
123.08072	3.7
123.11694	0.7
125.05969	0.2
128.06215	2.9
129.07001	7.5
130.07765	0.9
131.04924	7.3
131.05916	0.4
131.08559	3.1
131.09399	0.4
132.05666	0.7
133.02843	0.9
133.06503	2.2
133.10136	2.4
134.99655	0.3
135.08046	0.9
135.11681	0.4
136.05183	0.6
137.06001	1.1
137.09584	1.5
137.13220	0.4
139.07553	0.3
143.08524	0.7
144.05690	0.8
145.06483	3.1
145.10095	1.2
145.49783	0.2
146.03629	2.9
146.07260	6.4
146.10898	0.3
147.04408	2.7
147.08044	3.0
147.11694	3.0
148.05186	6.0
149.02361	1.6
149.06009	1.0
149.09631	4.8
151.04022	0.2
151.07542	2.6
155.06044	0.6
156.09325	0.8
157.06487	2.0
158.07263	0.6
159.04431	0.8
159.08032	1.3
159.11708	0.6
160.05237	0.2
160.08815	0.8
161.05969	100.0
161.09598	23.1
161.13216	2.3
162.03212	0.3
162.06345	1.3
163.03911	0.5
163.07559	1.7
163.11180	1.4
164.04660	2.0
164.08344	0.2
165.05469	0.3
165.09096	0.7
165.12756	1.1
171.08112	0.5
171.11667	0.8
173.05923	0.3
174.03130	0.4
174.06754	4.0
174.10371	0.6
175.03889	0.7
175.07458	0.4
177.00610	0.3
177.09108	0.3
177.12636	0.3
179.03387	0.6
179.07027	2.4
179.10509	0.3
179.14211	0.4
189.01865	0.3
189.09099	21.4
189.12703	3.7
189.16342	0.3
192.04185	1.0
207.02904	0.7
207.04570	0.3
207.06506	5.0
207.10176	3.6
207.13791	8.2
207.17398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02369	0.3
53.03940	0.5
55.01862	0.6
55.05510	1.4
56.96553	1.0
57.03425	0.5
57.07069	0.4
59.04994	0.5
61.61076	0.2
65.03934	0.5
67.05499	2.1
68.99797	0.2
69.03426	1.3
69.07063	1.2
71.04446	0.4
71.04985	0.8
71.16522	0.2
79.05488	2.7
81.03407	0.8
81.07055	1.9
83.04974	0.8
83.08633	0.3
85.02893	0.7
85.06527	0.2
89.03912	0.3
90.94727	0.2
91.05477	11.8
93.07040	2.5
95.04961	1.9
95.08604	3.3
97.02867	0.3
97.06500	0.3
98.97583	0.4
99.04461	0.3
103.05463	2.6
105.03380	0.4
105.07027	9.2
107.04942	2.6
107.08582	2.8
109.06517	1.8
109.10145	1.5
111.04432	0.2
111.08064	0.4
115.05492	1.1
115.16607	0.2
116.06228	1.5
116.98567	0.4
117.06987	1.9
118.04153	3.7
118.07824	0.4
119.01992	0.2
119.04935	4.8
119.08577	5.4
121.02888	0.3
121.06497	4.3
121.08435	0.3
121.10130	3.0
123.04423	0.8
123.08072	3.7
123.11694	0.7
125.05969	0.2
128.06215	2.9
129.07001	7.5
130.07765	0.9
131.04924	7.3
131.05916	0.4
131.08559	3.1
131.09399	0.4
132.05666	0.7
133.02843	0.9
133.06503	2.2
133.10136	2.4
134.99655	0.3
135.08046	0.9
135.11681	0.4
136.05183	0.6
137.06001	1.1
137.09584	1.5
137.13220	0.4
139.07553	0.3
143.08524	0.7
144.05690	0.8
145.06483	3.1
145.10095	1.2
145.49783	0.2
146.03629	2.9
146.07260	6.4
146.10898	0.3
147.04408	2.7
147.08044	3.0
147.11694	3.0
148.05186	6.0
149.02361	1.6
149.06009	1.0
149.09631	4.8
151.04022	0.2
151.07542	2.6
155.06044	0.6
156.09325	0.8
157.06487	2.0
158.07263	0.6
159.04431	0.8
159.08032	1.3
159.11708	0.6
160.05237	0.2
160.08815	0.8
161.05969	100.0
161.09598	23.1
161.13216	2.3
162.03212	0.3
162.06345	1.3
163.03911	0.5
163.07559	1.7
163.11180	1.4
164.04660	2.0
164.08344	0.2
165.05469	0.3
165.09096	0.7
165.12756	1.1
171.08112	0.5
171.11667	0.8
173.05923	0.3
174.03130	0.4
174.06754	4.0
174.10371	0.6
175.03889	0.7
175.07458	0.4
177.00610	0.3
177.09108	0.3
177.12636	0.3
179.03387	0.6
179.07027	2.4
179.10509	0.3
179.14211	0.4
189.01865	0.3
189.09099	21.4
189.12703	3.7
189.16342	0.3
192.04185	1.0
207.02904	0.7
207.04570	0.3
207.06506	5.0
207.10176	3.6
207.13791	8.2
207.17398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0651
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
50.01590	0.5
51.02378	0.9
53.00296	0.6
53.03940	1.5
55.01862	1.5
55.05519	2.8
55.32061	0.5
56.96564	1.1
57.03437	0.6
57.07077	0.8
58.85050	0.5
63.02356	1.1
64.03149	1.0
64.80402	0.5
65.03930	9.2
67.05501	3.9
68.04819	0.5
68.05827	0.6
68.57373	0.5
68.86441	0.6
69.03414	2.7
69.07056	1.2
69.82629	3.3
71.04988	1.3
76.03143	0.7
77.03909	2.6
78.04701	0.5
79.05489	4.3
79.53259	0.5
80.06271	1.4
80.35809	0.5
81.03402	1.1
81.07043	4.4
83.04980	1.8
85.02900	1.0
85.06549	1.1
89.03906	5.9
90.04684	1.0
90.87087	0.5
91.05474	100.0
92.05798	1.1
93.07036	3.1
95.04951	3.0
95.08595	4.1
96.55862	0.5
97.02872	0.7
97.06534	0.9
98.21397	0.7
98.97591	1.6
101.03895	0.6
103.05460	2.0
104.02596	0.9
105.03381	1.9
105.07016	6.7
107.04964	3.8
107.08578	3.3
108.05724	2.0
109.06515	5.7
109.10164	1.9
111.08128	0.5
115.05495	0.6
116.98632	0.8
117.03398	0.7
117.07011	1.4
118.04147	3.1
119.04934	95.9
119.08562	6.9
120.05277	1.6
120.08163	0.6
121.02857	2.2
121.06509	2.1
121.10152	2.9
122.03642	1.6
123.04446	1.5
123.08041	4.3
123.11665	0.6
125.09653	0.7
129.03394	1.8
129.04494	1.0
129.06953	0.6
131.04945	1.7
131.08569	1.1
132.02065	8.1
133.02837	1.5
133.06491	1.4
133.10094	1.9
134.03590	0.8
134.06052	0.6
135.04436	4.8
135.08044	1.7
135.11626	0.7
136.05197	3.1
137.05959	0.9
137.09616	1.8
143.08594	1.0
145.02850	2.0
145.10162	0.7
146.03619	1.9
147.04401	81.0
147.07997	2.7
147.11681	2.9
148.04660	1.1
148.08678	0.7
148.61351	0.5
149.02321	8.0
149.05960	0.9
149.09544	2.8
150.03099	1.6
151.07558	3.1
151.09488	1.7
157.03943	6.3
158.99692	0.6
159.11615	0.8
160.01541	0.8
161.05954	4.1
161.09656	1.8
161.13235	2.9
162.03087	1.3
162.05414	2.8
163.03889	1.7
163.11172	1.7
164.04663	5.2
165.09152	0.7
165.12735	1.0
171.11670	1.5
174.03137	1.3
175.03896	83.2
176.04312	2.6
177.00589	0.7
177.12733	1.1
179.03302	0.5
179.07024	7.8
179.08925	3.8
179.14247	0.5
189.05493	0.8
189.09071	1.4
189.12779	3.4
192.04161	4.7
207.06520	30.1
207.08366	2.5
207.10211	1.3
207.13828	9.0
207.17497	0.6
208.06207	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0498
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
52.61352	3.5
53.03922	5.6
55.01870	47.0
55.05500	6.5
56.82741	4.0
56.96565	26.7
57.03181	6.4
57.03432	71.9
57.07064	6.7
59.04996	8.7
60.66084	3.2
61.02932	24.7
64.36687	3.8
67.05486	14.7
68.99769	5.6
69.03430	19.6
69.07069	6.3
70.94321	10.2
71.01353	37.9
71.04989	24.7
73.02908	41.1
74.75999	3.1
77.00888	3.7
79.05467	10.5
81.03418	8.1
81.07041	12.1
83.01325	24.1
85.02898	42.3
86.03645	4.3
87.00804	6.2
87.04471	42.7
87.31583	4.0
89.02373	12.1
91.05481	23.6
93.07019	11.1
95.01299	5.4
95.04966	13.2
95.08597	26.1
98.97560	8.7
99.00827	25.8
100.02464	4.8
101.02370	99.8
103.03938	13.1
103.05448	3.9
105.03386	7.4
105.07012	15.6
107.04953	24.7
107.08551	10.1
109.02868	8.3
109.06500	8.5
109.10100	6.7
111.00795	24.4
111.01914	4.1
113.02362	6.7
115.02465	4.2
115.03155	6.4
115.03925	100.0
116.98602	6.4
117.07047	3.9
118.03547	4.6
119.01876	9.9
119.03360	4.8
119.04846	7.5
119.08553	23.1
121.01614	4.9
121.06485	7.7
121.10136	10.0
121.88514	3.7
123.04410	6.6
123.08084	21.3
123.11688	7.2
128.98625	5.8
129.01826	56.6
131.01880	6.1
131.03392	19.0
133.04939	8.0
133.06544	4.4
133.10136	6.1
134.03596	4.8
135.04381	3.9
137.09607	12.6
143.03403	32.4
143.08745	4.7
146.99669	6.7
147.02869	28.0
147.04388	8.9
147.08092	10.0
147.11674	15.7
149.09584	17.2
151.07509	7.7
156.09312	4.3
157.00142	6.6
157.01315	74.5
159.02956	3.5
161.03012	5.4
161.04472	15.5
161.05984	6.5
161.13251	7.8
163.07535	6.4
164.17165	3.8
165.00655	4.3
165.08986	5.0
165.12732	5.1
171.11748	6.7
173.02966	4.4
174.98479	8.0
175.02379	21.6
175.03830	7.3
179.03448	15.4
179.07010	4.8
179.10631	3.8
183.97658	5.8
189.03926	19.9
189.05498	7.6
189.09235	4.9
189.12712	17.0
203.03923	6.2
207.02924	10.8
207.06453	6.8
207.10182	7.3
207.13762	30.6
207.17456	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	206.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22318	0.3
53.29755	0.3
53.44314	0.3
54.81398	0.3
56.05038	2.3
58.06598	70.2
59.06916	0.4
71.17558	0.6
71.17895	0.4
76.07645	3.4
77.03930	0.4
93.07055	0.3
95.04945	0.8
103.05464	35.1
104.05815	0.6
105.07021	0.3
109.37904	0.3
121.10154	0.4
131.04921	100.0
132.05222	1.7
175.07544	22.1
189.12654	0.4
204.40176	0.3
206.11670	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	207.0288
Annotation	Flaviolin
Peak:m/z	Relative Intensity
51.02377	1.5
53.03941	4.4
55.01869	2.4
55.05485	1.7
56.05014	1.2
56.96573	6.7
57.03416	2.2
57.07075	1.5
61.02909	2.2
63.02383	0.8
65.03938	5.6
67.01865	1.3
67.05507	5.8
68.99791	7.6
69.03422	3.8
69.07050	2.3
70.02923	0.9
70.13610	3.0
70.14028	1.4
71.04976	2.1
71.47692	0.8
73.02912	2.3
75.04510	1.0
77.03918	5.7
79.05492	9.7
80.91175	0.8
80.94946	1.4
81.03423	5.1
81.07053	4.7
83.01332	2.4
83.04971	2.2
85.02904	4.3
87.04454	1.6
89.03913	2.2
89.78522	0.8
89.82281	0.8
91.05457	6.7
93.03411	4.5
93.07034	3.0
94.06586	0.9
95.01328	3.2
95.04969	15.7
95.08598	8.2
97.06495	0.8
98.97571	1.3
99.00815	2.8
101.02383	5.3
103.03992	1.0
105.03384	23.1
105.04485	1.7
105.07020	5.2
107.01289	0.9
107.04952	39.3
107.08584	3.7
109.02885	5.8
109.06506	3.7
109.10152	2.0
111.00791	2.4
111.04449	2.1
115.03959	1.2
116.98625	1.5
117.03408	1.1
119.03485	0.8
119.04915	3.1
119.08586	6.8
121.06475	1.5
121.10155	3.5
121.97556	1.7
123.04427	19.7
123.08076	5.5
123.11701	1.5
124.07560	0.9
127.03940	1.9
128.06293	0.8
129.01851	1.0
129.07037	1.0
131.03377	0.9
131.08546	1.3
133.02850	32.9
133.06474	2.1
133.10124	2.3
134.03638	5.3
134.99661	1.3
135.04416	9.3
135.08072	1.3
135.11685	0.9
137.02316	5.4
137.05995	1.7
137.09593	3.1
143.03366	3.4
143.08536	1.0
145.02808	1.2
145.10313	1.4
146.03590	0.9
146.99641	1.1
147.02893	3.5
147.04407	5.0
147.08090	5.3
147.11650	4.6
148.08731	1.9
149.05901	1.1
149.09583	4.4
151.03911	19.9
151.07510	2.0
152.02264	1.0
153.01810	3.3
160.95973	1.6
161.02333	31.7
161.05989	2.8
161.09608	1.9
161.13245	3.2
162.03133	8.0
163.03909	7.0
165.01823	6.2
165.09027	2.0
165.12784	1.6
165.96519	1.5
171.11713	1.6
175.03905	2.6
177.00728	1.2
179.03395	100.0
180.03755	1.0
183.02934	2.6
183.97606	2.6
189.01831	11.4
189.05481	1.4
189.09135	1.3
189.12727	4.5
207.02890	80.0
207.06520	6.4
207.10194	2.0
207.13742	7.8
207.17435	2.5
211.03142	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0448
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
54.07002	0.2
55.93525	0.2
56.96564	0.7
58.06598	0.2
59.26344	0.1
67.05504	0.2
68.99816	0.2
69.76958	0.6
69.77358	0.4
79.05479	0.5
81.03407	0.2
81.07048	0.3
90.05605	0.2
91.05485	0.3
94.06612	0.3
95.04969	0.5
98.09698	1.7
104.05000	0.4
105.02740	0.3
105.03353	1.1
105.07031	0.4
106.06564	0.3
107.04929	1.5
115.05463	0.2
117.03712	0.3
117.05760	0.3
117.80070	0.2
118.06570	0.3
118.98611	0.2
119.04904	0.2
120.07619	0.3
121.07668	0.2
121.10081	0.2
122.05991	0.2
122.07060	0.3
123.04424	0.4
130.06500	0.2
132.04442	4.6
132.05403	0.3
132.08138	0.9
132.08867	0.2
133.02850	0.8
133.08385	0.6
134.05974	0.3
134.81198	0.2
143.06865	0.2
144.08247	0.2
144.10190	2.8
146.05997	0.3
146.99631	0.2
147.04396	0.2
148.08691	0.2
149.02284	0.2
150.02629	0.4
150.05486	3.2
151.03816	0.3
159.09225	0.4
160.03908	0.5
160.07559	1.2
160.09508	2.9
161.02396	0.3
161.05968	0.2
164.06970	0.3
178.04979	100.0
179.03413	0.7
179.05336	1.2
182.99446	0.4
191.14305	0.6
201.00696	0.4
206.04468	38.7
206.08020	1.3
207.02863	1.1
207.04784	0.5
219.01637	0.2
224.02234	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0811
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
51.07431	0.2
54.15989	0.2
56.05079	0.2
56.96560	0.4
57.07080	0.3
60.13568	0.3
67.05515	0.3
68.99784	0.8
69.03412	0.4
70.02962	0.6
79.05476	0.7
87.00837	1.8
91.05480	3.5
93.07048	3.1
94.07356	0.4
95.04964	0.8
98.20740	1.2
98.97532	0.3
103.05468	15.1
104.05786	0.3
105.07041	1.0
107.04963	0.4
107.08562	0.3
115.05407	0.5
116.98611	0.3
117.06992	0.3
118.06540	16.5
119.04939	0.5
119.08576	0.7
120.08102	100.0
121.06467	0.7
121.08473	1.4
122.07007	0.5
123.08076	0.3
128.04971	1.9
130.06552	0.6
132.04439	0.3
132.08118	0.4
145.06461	0.4
146.06001	13.0
147.04431	0.7
149.02336	0.4
149.09592	0.8
151.03909	0.3
151.07669	0.3
154.04955	0.3
160.07568	1.0
160.12059	0.4
161.06015	1.8
161.09546	0.4
161.13228	0.6
163.11136	0.3
164.07014	0.4
164.11552	0.3
170.05966	0.3
179.03442	0.3
188.07047	9.4
189.09192	0.3
189.12810	0.3
191.14348	0.5
206.08110	6.2
206.12546	0.6
206.19118	0.3
207.06580	0.8
207.13806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
52.16898	0.8
53.03341	0.9
53.03931	2.8
55.01866	7.6
55.05502	4.6
56.96550	3.1
57.03431	1.5
57.07061	3.4
59.04995	1.1
63.55035	0.8
65.03927	2.4
67.05484	5.2
69.03075	1.4
69.03425	18.9
69.07059	4.2
70.95801	1.4
70.96148	1.2
71.04977	2.4
77.03899	0.7
79.05476	7.1
81.03409	2.8
81.07047	7.1
83.04974	5.4
83.08561	0.9
85.02871	3.1
85.06529	1.4
91.05466	22.2
92.36168	0.8
93.03372	0.8
93.07036	30.3
93.07621	1.6
95.04964	9.1
95.08601	4.4
97.02875	3.4
97.06532	1.0
97.10132	1.0
98.97565	2.3
99.04436	1.1
103.05473	4.3
105.07017	16.5
107.04942	2.5
107.08587	17.3
109.02890	1.9
109.06490	4.5
109.10143	1.0
111.04453	1.1
115.05439	15.8
116.06220	1.4
116.98590	2.5
117.07007	27.0
119.01881	1.6
119.04959	1.1
119.07785	1.3
119.08571	16.7
121.02875	1.9
121.06493	68.5
121.09291	1.4
121.10111	11.7
123.08038	4.5
123.11684	1.6
126.78406	0.7
127.03945	1.2
128.06221	1.6
129.06982	6.3
130.04105	1.3
130.07759	4.2
131.04887	3.2
131.08565	12.9
133.06471	3.2
133.10132	5.9
135.04408	1.2
135.08040	19.1
135.11679	7.5
136.08743	1.1
141.06996	1.6
143.08566	2.5
143.16223	3.6
144.05676	1.6
144.09338	8.0
145.06470	32.3
145.07625	1.7
145.10104	19.8
146.05968	1.3
146.07195	1.7
147.04376	1.4
147.08031	14.7
147.11668	2.2
148.08841	0.9
149.02324	14.5
149.05969	17.7
149.09605	9.3
149.13213	3.9
151.07480	0.9
151.40387	0.8
154.07800	1.1
155.05997	3.4
157.06503	2.4
157.10205	2.0
158.07253	1.7
159.04449	1.3
159.08063	6.4
159.11682	30.3
161.02969	2.5
161.05956	2.7
161.08263	1.4
161.09583	11.6
161.13219	1.5
161.36049	0.8
162.10410	6.1
163.03860	1.9
163.07541	5.6
163.11163	34.8
163.12529	1.7
169.10080	1.9
169.12251	1.0
172.08842	13.1
173.05952	15.3
175.07478	2.5
175.11168	2.2
175.35431	0.8
176.08261	1.1
177.00626	1.3
177.05467	3.6
177.09174	4.0
177.12732	30.2
181.53831	0.9
187.07497	2.5
187.11169	20.7
190.06219	1.9
190.09882	4.4
190.11679	1.3
194.07033	2.5
205.04877	3.2
205.08574	7.7
205.12221	100.0
205.15816	2.2
206.12502	1.8
222.36714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
53.03938	2.5
55.01867	2.1
55.05510	1.9
57.07071	0.7
64.52290	0.8
67.05500	1.7
69.03430	9.4
69.07076	1.4
70.90850	1.7
71.04987	0.8
79.05486	1.9
81.03425	0.7
81.07051	1.2
83.04974	3.2
85.02907	0.7
91.05481	15.8
93.07040	28.5
95.04985	4.2
95.08616	0.9
97.06515	0.9
103.05443	0.9
105.04553	0.8
105.07043	7.2
107.04941	1.1
107.08611	4.6
109.06514	1.2
117.07006	4.0
119.08566	5.7
121.06503	100.0
121.10113	3.9
122.06833	0.7
123.08093	1.0
129.06989	2.9
130.07774	3.0
131.08574	5.3
133.10135	2.7
135.08057	7.3
135.11700	3.8
143.08647	1.1
144.09338	2.9
145.06471	1.4
145.10138	8.5
147.08018	3.3
149.05959	5.2
149.09644	3.0
149.13235	0.9
151.07541	1.3
158.07249	0.8
159.08066	1.2
159.11688	13.5
161.09650	3.6
162.10422	1.2
163.11179	12.0
165.11945	0.7
167.03532	0.6
169.10098	0.7
172.08813	4.6
175.11205	0.7
177.12749	10.3
187.11182	9.6
190.09898	1.4
205.12233	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69548	0.4
53.03940	2.0
55.01866	1.2
55.05505	2.4
57.07066	0.4
64.66853	0.4
65.03951	0.4
67.05504	1.1
68.99802	0.4
69.03426	6.7
69.07052	0.9
69.47870	0.3
70.90900	1.2
77.03930	1.0
77.95687	0.4
78.04714	0.4
79.05477	1.7
81.03398	1.1
81.07058	1.0
83.04984	2.4
85.02902	0.6
91.04897	0.4
91.05478	14.9
93.07040	29.8
95.04961	5.5
95.08615	1.0
97.02899	0.4
103.05477	1.1
103.60836	0.4
105.04489	0.5
105.07028	5.1
107.04964	0.6
107.08595	3.8
109.06509	1.2
115.05446	0.8
117.07002	4.0
119.04943	0.5
119.08569	5.5
120.60641	0.4
121.06498	100.0
121.10145	2.4
122.06865	0.7
123.08066	1.7
128.06232	0.5
129.07005	2.3
130.07780	1.1
131.08543	3.1
133.10123	1.3
135.08052	5.7
135.11691	2.9
137.05939	0.5
137.09523	0.5
140.42719	0.4
143.08574	1.1
144.09361	2.7
145.06467	0.7
145.10117	7.5
147.08043	2.6
149.02330	0.7
149.05975	3.7
149.09627	1.9
149.13136	0.6
151.07544	1.3
157.06439	0.6
157.10092	0.6
158.07257	0.6
159.08072	0.8
159.11693	10.1
161.09634	2.6
162.10414	0.9
163.07489	0.8
163.11165	7.8
169.10188	0.7
172.08783	2.7
175.11201	0.9
177.12740	5.7
178.08698	0.6
187.11166	4.8
190.09821	0.7
205.12231	36.2
206.12558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
50.79762	0.6
70.65369	0.8
70.65743	0.9
71.76096	0.4
74.02444	1.3
74.35273	0.4
76.95061	0.4
84.22225	0.4
85.00554	0.4
91.05470	1.7
115.05438	2.8
117.05771	1.5
117.07023	3.3
118.06535	42.9
121.06559	0.5
123.06017	0.5
128.64934	0.4
130.06516	3.1
132.08072	10.6
142.06511	5.2
143.07301	5.6
144.04433	0.9
144.08083	21.5
146.06001	100.0
147.06343	1.9
149.02348	1.6
155.04945	0.5
159.09175	10.2
160.07564	1.6
163.88713	0.5
170.06007	8.6
184.92989	0.5
188.07056	94.9
189.07407	1.2
205.09836	0.6
205.12276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1223
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.02386	0.3
52.06757	0.3
53.03947	3.0
53.86177	0.2
55.01870	0.5
57.07083	0.4
59.04982	0.3
59.87154	0.3
61.02944	0.4
63.52779	0.3
67.05508	0.5
69.03425	0.5
69.07053	0.3
71.29376	0.4
71.29716	0.3
77.03925	0.8
79.05474	0.8
80.59904	0.4
81.03411	0.5
81.07059	0.8
83.04950	0.8
85.02905	0.4
85.06556	0.9
91.04635	0.4
91.05476	16.3
93.07040	57.0
94.07356	0.5
95.04964	6.5
103.05477	2.4
105.04535	1.0
105.07001	2.0
107.08602	1.1
111.79730	0.3
112.06463	0.3
115.05428	0.4
117.07012	1.1
119.08555	1.3
121.06501	100.0
121.10129	0.9
122.06842	0.8
123.04413	0.3
129.07030	0.5
131.08546	1.0
133.10098	0.3
135.08038	0.6
135.11717	0.6
144.09335	0.8
145.06558	0.5
145.10107	1.0
147.08014	0.4
149.02324	1.3
149.09637	0.4
159.11693	3.4
162.10304	0.4
163.11151	1.2
172.08725	0.5
175.11153	0.3
176.73471	0.3
177.12767	1.3
187.11191	0.9
205.04837	0.3
205.12233	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	204.0865
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
53.03933	5.0
54.57505	3.9
55.01874	23.9
55.05516	7.8
55.06652	3.0
56.05035	4.3
56.95111	3.3
56.96568	32.5
57.03436	51.5
58.03752	4.8
58.99868	5.1
59.04984	7.0
60.04523	47.5
61.02926	56.6
65.75188	3.1
68.05023	47.8
69.03427	45.4
69.88146	17.3
70.06579	9.4
71.01330	5.9
71.04990	13.3
72.04499	4.7
72.08141	21.4
73.02909	42.6
77.00883	3.3
81.03429	19.5
82.06571	6.4
82.66927	3.5
83.04991	3.5
84.04504	68.9
84.08106	3.8
84.96062	4.1
85.02903	72.5
86.03199	4.0
87.00825	4.5
88.03994	3.0
89.02408	3.8
90.06000	2.9
91.05465	3.8
93.07054	3.8
94.02690	3.9
96.04488	65.4
97.02271	7.1
97.02888	100.0
98.03197	3.2
98.06052	22.8
98.21495	3.9
98.97591	5.9
99.04449	11.7
101.00889	5.3
101.02363	3.5
101.72450	3.1
102.02402	6.4
102.05556	5.8
103.03254	3.8
103.03936	7.8
106.01006	3.8
107.04960	5.6
108.02396	4.7
108.04481	3.6
109.02827	15.8
110.06024	19.9
111.02931	10.5
113.00911	4.5
113.02396	7.2
114.05520	77.4
116.07065	6.8
116.98608	12.0
117.05517	4.3
118.03616	3.6
119.01897	54.7
120.02024	11.5
120.03505	5.5
121.01642	9.8
121.06502	6.0
122.06038	4.5
123.02938	7.2
126.02549	4.0
126.05514	70.4
127.03941	19.6
128.02287	8.8
128.98759	3.7
129.02896	5.2
131.01926	33.2
132.03444	7.8
133.03429	10.3
134.99657	13.3
135.03036	6.0
137.02934	13.8
138.03450	7.4
138.05507	29.4
140.02275	3.5
140.07053	21.6
141.01292	5.2
141.03969	3.8
141.10197	7.6
143.01863	18.0
144.03455	6.7
144.06549	16.7
145.01541	4.2
145.03435	12.0
145.04980	5.4
146.99617	7.7
147.03963	5.3
149.02393	9.9
150.01797	5.9
151.04489	3.7
153.03925	8.1
155.01900	13.0
156.06552	9.3
157.03514	8.3
158.08118	50.0
158.12946	7.1
160.97620	4.2
161.02943	46.1
162.03032	8.8
163.00764	3.6
163.02728	4.8
163.04630	4.4
165.00664	3.3
168.06534	21.2
169.03481	6.0
173.02936	46.2
174.03133	6.3
174.04477	4.9
175.02744	5.0
175.04456	5.3
177.02467	5.0
177.12891	3.8
183.04985	5.8
185.02963	14.9
186.07600	13.0
187.00945	4.0
187.02666	3.3
187.04500	5.2
187.10928	3.7
191.04044	7.1
192.05598	4.9
203.03995	18.2
204.08672	58.7
204.13832	29.9
205.12248	7.5
208.99821	3.7
221.05077	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	204.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.8
54.81195	0.5
55.01875	0.9
55.05495	1.3
56.05021	1.7
56.96563	16.4
57.03422	1.9
57.07061	0.7
58.06605	0.9
59.75885	0.7
60.04523	26.8
61.02908	2.4
67.04235	0.9
68.05029	7.4
69.03426	2.9
69.58817	0.5
69.73650	2.3
69.74074	1.8
70.06569	1.5
71.04990	1.6
72.04501	1.8
72.08153	3.6
73.02916	1.4
74.06065	0.9
74.97589	1.0
78.95294	0.9
79.05476	1.1
80.05009	0.6
81.03409	2.6
82.06581	0.9
83.01333	0.9
83.04975	0.7
84.04503	9.6
85.02894	4.8
86.06075	1.0
86.09691	2.3
87.10047	1.8
88.04005	3.0
88.99158	0.6
91.05476	1.3
93.07085	0.7
95.04970	1.3
95.08572	0.7
96.04485	11.1
97.02891	14.3
98.06056	3.0
98.21411	0.9
98.97592	1.2
99.04435	2.0
100.04002	1.0
103.03963	0.9
103.05444	1.7
105.07041	1.7
106.06545	10.1
107.04921	3.2
108.04398	0.8
109.02868	1.9
110.06017	3.3
114.05518	11.8
114.09186	1.9
115.05454	6.9
116.07060	1.1
116.98605	1.3
117.05804	3.5
118.06519	0.6
119.00168	1.0
119.04911	0.8
119.97911	0.8
121.01624	0.8
121.02792	0.8
121.06514	1.5
122.06003	0.8
122.07080	0.7
126.04661	1.1
126.05512	12.1
127.03895	2.3
128.98534	1.1
130.06532	10.5
131.04912	5.8
131.06844	9.1
132.04391	1.3
132.08096	5.5
133.01866	0.8
133.02852	2.4
133.05304	1.0
133.06477	1.0
134.06010	70.4
134.99660	1.4
135.04433	0.7
135.06323	1.5
136.11215	1.2
138.05490	3.4
140.07062	2.2
142.06505	1.4
144.04459	0.7
144.05515	0.9
144.06535	2.7
145.05025	0.7
145.06325	0.6
146.05995	0.8
146.99664	2.7
147.04376	1.4
148.07565	1.2
149.02359	3.8
149.06099	0.7
153.02147	0.7
156.06601	1.1
157.07616	1.3
158.06007	17.5
158.07976	24.2
158.11748	1.9
159.04465	1.0
159.06786	12.5
160.03975	1.5
160.06227	1.3
160.07573	24.3
160.09598	5.0
161.01219	1.1
162.05495	100.0
162.99126	3.0
163.05840	2.2
165.00800	0.7
166.98691	0.8
168.06541	2.9
176.06961	2.9
179.02180	0.7
181.00168	2.8
181.03452	1.8
181.97902	1.5
186.05501	12.7
186.07527	3.5
189.11455	1.0
199.01207	0.7
199.04504	0.9
204.06552	39.4
204.08575	25.2
204.11961	1.2
204.13850	7.7
205.08701	0.6
205.12248	0.7
223.01221	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	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03928	1.1
55.01856	0.7
55.05509	9.9
56.96558	1.4
57.07056	2.7
60.04509	0.9
65.03931	1.8
67.05499	20.7
69.07063	14.7
71.60246	0.7
76.65810	0.6
79.05488	10.0
79.51913	0.6
81.07049	29.6
83.08620	4.2
84.04478	1.9
91.05473	17.6
93.07038	21.3
95.04964	2.2
95.08600	66.0
96.04469	0.8
97.02850	1.5
97.10149	2.0
103.05438	0.9
105.07024	52.1
107.08592	35.7
109.06512	1.3
109.10149	42.1
114.05501	1.4
115.05443	1.7
117.06995	2.7
118.03490	0.6
119.01917	1.4
119.08572	62.9
120.08887	1.1
121.06473	0.7
121.10139	22.9
123.11684	8.6
126.05491	2.1
128.06210	0.7
129.06955	0.8
131.08527	3.7
132.09299	0.5
133.06511	0.8
133.10120	47.1
134.10477	0.9
135.11691	7.7
138.05502	1.1
142.07777	1.6
143.04900	0.9
143.08521	1.0
145.06464	1.0
145.10109	4.8
147.11674	63.5
148.12172	0.8
157.10101	1.7
159.11700	3.2
160.05188	1.7
160.12408	1.9
161.02922	1.4
161.09630	1.2
161.13249	22.9
168.46291	0.6
174.14020	1.1
175.03960	0.5
175.07538	3.2
175.11223	1.0
175.14812	13.5
175.16264	1.0
179.97800	0.6
185.09653	1.7
188.04665	1.2
188.08235	1.0
189.03102	1.3
189.11481	0.7
203.06972	3.5
203.10710	3.5
203.14168	3.2
203.17940	100.0
204.13824	2.2
204.18219	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	203.1794
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
55.05492	5.1
57.07066	1.9
67.05502	21.6
69.07065	8.3
70.15317	5.7
77.03927	1.5
77.76113	1.2
79.05481	9.1
81.07057	31.4
83.08601	2.7
84.04501	4.4
85.02926	1.6
91.05480	9.5
93.07043	25.0
95.08604	65.7
96.04480	2.2
96.63489	1.2
97.02880	3.8
105.07028	41.8
107.08588	39.7
109.10157	41.0
114.05516	3.1
118.03531	1.5
119.08573	37.5
121.10140	18.1
123.11709	8.5
126.05509	4.8
131.08510	1.7
133.10130	29.3
135.11646	1.9
143.08607	1.3
145.10115	2.5
147.11687	45.7
157.10190	3.1
161.09645	1.6
161.13231	18.3
175.11093	2.3
175.14815	10.8
185.13193	1.3
203.10677	6.5
203.14333	4.2
203.17946	100.0
204.08675	2.5
204.13831	6.0
204.18237	1.5
222.17618	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27556	1.4
55.01622	2.3
55.01871	29.1
55.05499	6.4
55.51866	1.4
55.93524	2.2
56.05041	3.8
56.05830	1.8
56.96566	40.1
57.03437	100.0
58.06595	2.0
59.05002	69.7
60.04515	6.6
61.02927	11.0
67.05507	3.8
68.05019	3.5
68.27395	1.6
68.99784	3.2
69.03426	10.6
69.07051	6.8
70.06591	4.6
70.63401	5.3
71.01353	2.6
71.04992	10.5
71.33748	1.5
72.08160	10.1
73.02921	7.9
73.06558	3.8
74.02434	2.1
74.06062	2.3
74.06891	1.6
74.97608	2.7
75.04488	15.2
77.00872	3.6
81.03432	2.5
81.07046	1.8
83.01333	4.7
83.04979	1.8
83.06096	4.6
84.04481	6.7
84.08146	23.5
84.96033	4.0
85.02908	14.8
85.08002	1.7
85.08469	11.1
86.06037	3.1
86.09705	42.4
87.00822	1.8
87.04465	16.2
88.99145	2.4
89.02396	7.4
91.05486	5.0
93.04540	2.1
93.07014	2.2
95.01315	7.5
95.01900	2.9
95.06097	2.2
96.04477	2.7
97.02911	7.8
98.97588	12.2
99.04452	3.8
101.00801	2.0
101.02371	2.6
101.06001	2.4
103.03970	1.7
104.01289	2.3
105.07002	2.3
107.00199	1.7
107.04936	2.1
109.02867	1.7
109.06401	3.3
110.05991	1.9
110.07175	14.0
111.00172	3.0
111.00866	2.7
111.53669	3.5
112.07600	4.1
113.02389	8.3
114.05542	3.4
115.02428	2.1
115.03932	8.1
116.98619	13.8
117.01773	2.1
118.00954	2.4
118.03517	2.3
119.01910	25.1
119.03473	3.2
119.04903	2.2
119.08561	3.7
120.01952	1.9
120.96513	3.0
121.01644	7.5
121.10134	2.6
125.02542	3.4
126.05500	1.7
127.01548	10.5
127.03928	3.5
128.06267	1.9
128.98605	3.5
129.01892	4.4
129.05482	2.4
129.06981	2.3
129.10255	1.9
130.01927	1.9
130.06503	11.1
130.08650	10.2
131.01884	4.7
131.08932	5.0
132.10187	2.9
133.01558	3.6
133.03467	4.4
133.10155	2.2
134.06114	1.7
134.99643	14.6
135.01225	1.9
135.03108	3.8
136.06183	42.5
137.02959	11.6
139.02612	5.2
139.13121	2.2
141.01845	3.7
142.07719	2.1
143.01863	3.5
143.03404	5.5
143.08150	3.6
145.03441	4.2
146.99640	5.8
147.03223	1.8
147.04326	8.5
147.08038	2.0
148.02869	2.6
149.01111	1.9
149.02806	4.2
149.03836	3.0
150.00742	2.5
152.53938	2.2
153.00723	3.6
156.01755	2.5
156.13853	3.3
156.97487	5.3
157.03561	4.5
157.07622	13.2
157.10059	1.7
157.14223	22.2
158.99693	2.9
160.53580	4.5
160.97586	1.8
161.01038	3.0
161.01817	1.9
161.02985	16.4
161.04257	2.0
161.09653	2.7
162.05479	2.4
162.99165	2.6
165.00725	2.6
171.02890	61.5
173.01048	2.0
173.02942	4.4
173.04391	1.7
174.98508	12.1
175.00769	8.1
175.07559	1.9
175.11118	2.3
177.00705	5.2
178.98561	2.4
179.02277	2.1
179.04031	2.1
179.97731	2.2
179.99135	10.3
180.08185	12.3
180.58350	2.0
185.02876	3.3
185.09583	2.8
185.13615	6.6
186.04153	2.0
188.97078	3.8
189.02477	2.7
190.98598	6.3
191.04077	3.4
191.05688	3.6
193.00273	3.0
193.01898	4.1
198.00136	11.8
203.03854	3.0
203.05492	19.8
203.07092	3.4
203.08183	5.8
203.10661	10.4
203.14743	30.9
203.17891	3.2
204.05536	2.1
204.08586	2.7
206.98038	5.1
217.01964	2.7
221.05086	4.9
224.10405	9.7
224.12180	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1438
Annotation	L-2-amino-8-oxodecanoate
Peak:m/z	Relative Intensity
53.03942	1.0
55.01879	4.2
55.02099	0.8
55.05257	1.0
55.05510	14.5
55.93516	1.0
56.05029	4.1
56.96563	17.8
57.03432	12.8
57.70108	0.6
58.06588	2.5
59.04996	6.7
59.06126	1.0
60.04527	1.1
60.47449	0.7
61.02928	1.8
62.06077	1.2
65.03944	0.6
67.05495	2.0
68.05022	3.9
68.99806	0.7
69.03427	2.5
69.07058	0.8
70.06599	4.5
70.75320	1.2
71.01347	1.1
71.04982	2.1
71.06106	0.7
71.92995	0.8
72.04498	1.0
72.08150	2.9
72.93773	1.8
73.02906	1.5
73.06551	15.7
75.04482	2.0
79.05500	1.0
81.03393	1.2
81.07036	1.6
82.06573	2.1
83.04965	1.8
83.08611	0.7
84.04038	0.8
84.04507	13.7
84.08139	100.0
85.02904	5.1
85.08489	0.7
86.06062	1.8
86.09695	3.8
87.04460	3.1
88.07649	0.8
90.94835	1.0
93.07037	1.0
94.06580	0.7
95.04942	1.7
95.06071	1.1
95.08614	1.0
95.53311	0.6
96.04478	3.4
96.08130	0.9
97.02884	3.0
98.06058	1.7
98.97589	3.3
99.04443	1.1
100.07620	0.9
101.00862	1.2
101.02927	0.7
102.05528	1.6
102.09190	2.7
104.38811	0.7
110.06027	1.6
110.07186	1.0
110.09682	6.3
110.97566	0.7
111.00208	0.7
111.04453	3.1
112.03921	0.9
112.07572	2.1
113.02381	1.5
114.05529	6.8
115.03915	1.2
116.07070	1.0
116.98643	3.9
117.01890	0.6
118.00992	1.2
119.01915	4.9
120.00758	0.9
120.02010	2.7
120.08123	0.8
121.01638	1.0
121.02839	1.4
123.04465	0.7
124.03893	0.9
124.07513	0.8
125.96143	1.1
125.98464	0.7
127.01541	2.3
127.03913	1.0
128.07063	1.8
129.01869	0.9
130.04999	4.0
130.06546	1.1
130.08630	31.0
131.01895	1.2
133.01617	0.9
133.03435	1.2
134.01224	1.6
134.99673	4.1
136.06189	3.4
137.02948	3.2
138.05484	2.3
138.09131	4.5
138.12781	9.6
139.02672	1.0
139.03889	1.5
140.10774	0.8
142.03564	0.6
142.03938	0.9
142.04993	7.6
142.08618	0.8
146.99666	1.9
152.02271	1.3
156.06519	0.9
156.10243	6.4
156.13835	73.9
156.97440	1.0
157.07631	1.7
157.14160	0.8
160.02811	1.3
160.04578	1.2
160.97609	1.5
161.01196	1.4
161.02925	2.3
165.00615	1.3
166.04860	0.8
166.12262	3.6
167.03401	1.3
167.97264	0.9
171.02890	6.8
174.05481	1.0
174.98560	1.3
175.00812	1.1
177.00696	2.1
178.00243	0.8
178.03853	2.4
178.98549	1.8
179.04004	1.5
179.05486	0.8
179.09219	0.8
179.99074	0.9
181.00105	1.1
184.09721	3.8
184.13327	23.0
185.09314	0.8
190.98619	2.3
191.05807	0.9
193.01790	0.9
196.99512	1.2
197.01250	1.4
198.00076	1.1
202.05400	1.2
202.07117	3.4
202.10544	5.2
202.14372	91.0
202.18082	3.0
203.05371	2.9
203.08167	0.8
203.10448	0.8
206.98221	0.8
219.93282	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.1
55.01878	1.1
55.05506	0.7
56.05033	1.2
56.96561	13.8
57.03439	1.6
58.06598	1.2
58.96164	0.6
58.99866	1.7
60.95846	0.8
61.02928	1.4
65.03960	0.7
66.42388	0.6
67.05496	5.4
68.01396	1.1
68.04993	0.7
69.03414	1.2
70.06574	1.4
70.65433	2.2
70.98120	1.2
70.99854	0.8
71.04978	0.8
72.08161	2.3
73.02908	1.1
74.02471	1.2
77.00898	2.1
79.05493	7.9
80.05018	2.6
81.03422	2.5
82.01421	0.9
82.06578	1.3
83.04988	1.1
84.04503	3.7
84.08154	1.3
84.96037	1.6
85.02909	1.8
86.06068	1.0
86.09733	0.6
89.00883	0.7
91.02442	1.3
91.05495	1.2
93.05785	0.9
93.07053	0.9
94.02934	2.8
94.06561	12.3
95.01958	1.2
95.04966	12.3
96.04502	1.3
97.02884	1.4
98.06080	1.2
98.97581	11.0
100.02526	2.9
100.03974	13.4
104.04990	9.6
105.00346	0.7
105.03397	2.8
107.04957	3.0
108.04477	1.6
108.08102	1.1
109.02862	1.1
109.03529	0.8
109.06526	1.9
110.01301	0.7
110.97585	0.8
111.05563	0.6
112.03957	1.3
112.07572	0.9
116.98616	11.6
118.03466	3.1
119.01894	6.7
120.02076	2.1
120.04456	1.0
121.01633	1.0
122.06023	40.9
123.04397	3.8
124.03939	1.0
126.05511	8.2
126.98775	1.4
128.02283	0.7
128.98640	2.3
131.01944	1.5
132.04433	16.3
133.03485	2.3
134.99646	11.2
136.04588	1.0
136.07564	9.2
137.02963	2.7
137.05980	3.4
138.05490	1.3
140.00246	0.9
140.07062	1.8
141.04219	0.9
142.08778	0.8
143.01895	0.7
144.99799	8.7
146.99660	1.6
149.02957	0.7
149.04707	1.8
150.05495	100.0
151.03915	2.1
151.05801	0.7
152.07054	0.7
153.00696	2.0
154.08658	4.3
154.12263	4.8
158.01262	2.2
158.99767	0.8
159.01335	1.0
161.01225	1.2
162.04330	0.8
163.00882	2.1
164.07047	12.2
165.05482	2.5
168.01416	7.8
168.06511	5.2
172.09695	1.1
176.02313	2.2
176.04224	0.6
177.00700	2.6
177.02441	9.1
182.04523	2.1
182.08109	23.2
183.08423	0.9
183.11278	1.4
186.02507	1.6
189.00671	0.8
195.01872	1.0
195.03477	2.7
200.04045	4.8
200.09152	54.5
200.12820	2.6
200.18982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1636
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
53.03925	1.7
55.05500	5.0
56.96552	2.0
57.07059	3.9
67.05499	9.9
69.07052	6.1
69.73621	4.3
69.74030	2.1
71.08614	2.5
79.05496	8.0
79.05871	1.6
81.07055	25.8
83.08616	1.8
89.01411	1.0
91.05472	12.7
93.07041	24.2
95.04955	1.7
95.08598	22.2
98.97538	1.6
105.07024	32.3
107.08591	26.0
109.10146	8.7
115.05478	2.6
116.06182	1.3
116.98583	1.3
117.07022	17.0
118.96769	3.0
119.08575	22.0
121.10138	13.2
128.06151	1.2
129.06964	5.7
130.07756	6.7
131.08563	42.0
132.09024	1.0
133.10139	11.3
133.87245	1.2
141.06978	1.4
143.08582	6.1
144.09344	7.2
145.10117	100.0
146.10965	6.3
147.11700	2.1
157.10205	5.4
158.10896	3.3
159.11687	68.4
160.12144	2.7
169.28737	1.1
171.11705	2.0
172.12483	2.1
173.05971	1.8
173.09721	1.4
173.13261	25.6
177.98009	2.4
186.06831	2.0
186.14037	1.6
196.58221	1.1
201.05473	2.3
201.09102	7.4
201.16371	93.3
202.16682	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	198.9851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07047	0.2
56.96558	0.4
70.78890	0.5
76.16159	0.2
82.75610	0.2
98.97584	1.1
101.00851	0.4
103.78296	0.2
116.98608	1.1
119.01914	3.6
120.95351	0.4
121.96195	0.2
134.02977	0.8
134.99648	1.0
137.02942	1.4
138.96352	2.9
145.98550	0.2
156.97466	53.0
157.97536	1.4
158.97923	0.3
166.99113	0.3
172.95259	0.5
174.98523	100.0
175.98578	3.0
176.05832	0.2
176.98936	0.6
179.99020	1.0
180.97519	0.5
181.85527	0.2
184.98853	0.3
190.96252	0.3
198.00133	1.2
198.18506	1.5
198.98520	9.0
199.00154	0.6
199.18858	0.6
214.96642	0.2
216.96243	1.2
216.99567	29.0
217.99721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.3
56.05027	10.2
56.96567	15.7
57.04537	4.9
57.93557	1.7
69.07069	2.0
70.57706	5.5
71.04978	2.5
71.95253	2.4
74.09697	6.1
75.94586	2.2
77.00911	2.5
83.08611	3.9
97.99162	2.4
98.96155	1.8
98.97577	59.9
99.04442	2.7
99.05556	6.8
100.02473	6.4
101.00889	5.7
111.04427	3.2
116.00211	2.2
116.01905	8.9
116.97271	23.8
116.98606	69.0
118.03514	26.0
119.01910	39.0
121.01637	4.1
130.03487	5.4
131.99541	6.3
132.05037	2.6
133.04639	2.7
134.02985	100.0
134.98622	3.5
134.99654	67.3
136.04532	32.5
137.02965	25.0
138.03061	2.1
139.02646	3.9
140.98795	2.1
142.03523	6.8
149.06511	1.8
150.06059	2.1
150.84729	1.8
152.04039	26.2
152.05870	3.0
152.96922	8.1
153.00694	16.5
153.04227	1.9
157.02789	2.2
157.03342	3.0
157.04575	23.2
158.01198	3.6
158.02995	8.0
160.04529	6.7
172.04558	4.7
174.98593	2.8
175.04060	7.8
175.05658	29.0
175.98532	19.0
176.02391	4.6
176.04051	33.5
176.05833	7.4
177.00949	7.2
178.05614	3.4
181.04572	3.3
187.05753	1.9
191.08818	2.1
193.06642	13.2
194.05113	13.8
194.06786	4.3
199.04051	3.3
199.05649	14.1
199.18846	32.6
200.04112	3.3
217.05029	7.0
217.06906	14.2
217.08704	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	198.0762
Annotation	3,4-Dihydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.00293	0.7
53.03926	0.8
55.01861	3.9
55.05508	5.8
56.96560	72.8
57.03435	4.9
57.07062	3.2
58.06575	2.3
58.99837	1.5
60.08148	0.8
60.95840	3.5
61.02923	6.9
65.03931	4.7
66.30392	0.7
67.05486	1.9
68.99768	0.8
69.03423	3.7
69.07069	4.6
69.35699	3.3
69.36134	3.5
70.06579	1.4
70.98116	6.5
71.00882	0.7
71.01309	0.9
71.04982	1.8
71.08624	0.9
71.95264	8.9
72.08143	1.2
72.96043	5.3
73.02918	4.9
74.02464	0.9
74.06062	1.0
74.97594	2.4
76.07601	0.8
77.00861	1.9
79.05494	4.8
79.05872	0.9
81.03403	2.1
81.07024	1.1
82.06560	1.3
83.00765	2.1
83.04976	1.0
83.08612	5.1
84.08118	2.0
84.96008	3.8
85.02910	4.5
86.03630	0.7
86.06036	1.6
86.09736	0.8
87.04446	0.9
88.99138	3.1
91.05459	3.3
92.01293	1.9
92.04994	3.9
92.05869	0.7
93.03393	6.7
93.07002	1.1
94.06604	0.8
95.01948	0.8
95.04955	3.0
95.06059	1.1
95.08581	1.5
96.01585	0.8
97.02863	3.4
97.06499	1.7
97.10153	3.2
97.96796	1.2
98.01274	1.0
98.03095	0.8
98.06007	0.8
98.97571	17.5
99.04432	1.3
100.01095	0.9
100.02460	3.6
100.07595	1.5
101.00830	2.5
102.00990	0.8
102.02244	1.5
102.97050	0.7
103.02400	1.5
104.01248	1.8
106.01001	1.1
106.06550	4.2
107.00180	1.3
107.01800	1.9
107.04948	23.8
109.02857	3.1
110.01215	1.5
110.05998	2.6
110.97546	2.7
111.04437	15.6
111.08008	0.7
112.03929	1.8
112.07574	0.6
113.01781	2.7
113.02469	0.8
114.03962	0.6
116.00146	0.7
116.97263	0.9
116.98605	16.5
117.01887	1.3
118.03499	3.2
119.00083	0.8
119.01888	13.2
119.04918	1.5
120.00753	0.7
120.01978	7.9
120.03254	1.2
120.04460	6.2
121.01614	2.9
121.02807	1.1
122.02290	4.1
123.00798	0.8
123.01977	0.7
123.04401	2.2
124.03923	1.2
124.07572	1.7
124.95462	9.1
125.05972	1.5
126.02527	1.1
126.05509	0.9
127.03893	1.1
128.02290	1.3
128.98602	4.3
131.00162	1.8
131.01866	2.7
132.01993	0.9
132.05031	0.8
133.01617	2.2
133.03436	2.4
134.02205	1.2
134.06004	8.5
134.99657	10.5
135.04396	32.0
136.07555	1.0
137.02936	3.5
137.05936	1.5
138.03049	2.4
138.05478	2.9
139.02789	1.7
139.03899	32.6
140.02309	1.2
141.01257	1.9
142.96515	30.1
144.03650	1.5
146.99629	5.2
147.01360	1.9
147.03130	1.4
148.02074	0.8
148.03908	8.9
149.01178	1.3
150.05466	0.9
150.96883	0.7
151.02751	1.2
152.07051	78.5
153.00714	1.6
153.01823	3.7
153.05470	1.0
153.07455	1.3
154.02159	12.5
154.03389	0.7
157.02577	2.1
157.04448	0.9
158.99654	1.7
160.97568	54.1
161.01170	1.7
161.02859	1.0
162.05507	2.2
162.98988	0.8
163.03865	5.7
165.00728	4.7
166.04938	1.4
170.02899	1.5
170.99504	0.8
174.99088	6.5
175.00821	1.8
175.02612	1.1
175.04385	1.5
177.00694	3.0
178.98625	14.1
179.02171	0.7
180.06546	8.1
181.04922	14.7
182.08150	1.5
183.99142	1.5
186.99190	1.5
189.00726	2.2
193.00204	24.4
193.01909	2.6
195.01767	1.0
198.02640	1.5
198.04778	11.0
198.07568	9.4
198.11240	2.0
198.18513	100.0
201.00774	0.9
205.00142	1.0
209.03111	0.8
210.97571	0.9
211.01213	4.7
216.01668	0.9
217.00150	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	197.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.01841	0.5
55.05507	1.5
55.93513	0.7
56.96563	0.8
57.03430	0.8
57.07060	1.3
58.17556	0.6
59.04992	1.6
63.93795	0.6
65.03935	0.8
67.05483	2.2
69.03426	1.3
69.07082	0.5
69.57848	4.8
70.95859	6.1
71.04990	0.6
71.06116	0.6
72.93791	4.7
73.02915	0.8
79.05473	3.6
81.07053	3.6
83.04944	0.6
83.84922	0.6
84.64096	0.5
85.06514	0.6
88.96893	2.5
90.94812	1.0
91.05470	12.4
93.07038	7.9
95.04958	2.9
95.08598	2.7
97.06537	1.2
98.21471	1.3
105.03431	0.7
105.07025	16.9
107.08588	100.0
109.06487	3.7
109.10139	5.4
110.71131	0.6
111.98472	5.7
113.08226	3.8
115.50893	0.6
119.04942	1.4
119.06054	1.1
119.08574	4.0
121.06483	2.5
121.10119	1.4
123.04379	0.9
123.08103	1.0
123.11696	1.1
125.05928	0.8
129.99516	3.4
131.08563	2.5
132.95827	6.1
133.10120	54.0
135.08025	1.0
135.11694	14.1
137.05974	3.8
137.08202	1.8
137.09604	3.3
138.06667	1.0
141.05484	0.7
146.07208	1.5
150.96887	20.8
151.03877	2.1
151.07535	0.9
151.11160	3.9
155.09250	2.3
155.97411	6.2
161.09601	17.9
167.10632	1.3
168.97969	1.7
173.98500	12.8
179.09328	1.1
179.10667	23.0
191.99602	0.6
197.11723	44.3
198.18530	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03928	1.2
55.01861	4.1
55.05498	2.6
56.96570	5.6
57.03434	7.6
57.07061	1.7
57.26110	1.0
59.05002	1.6
61.02917	2.1
65.03928	1.7
67.05503	5.0
68.99775	2.7
69.03402	4.4
69.07059	2.9
70.95866	16.8
71.01331	1.1
71.04987	1.7
71.36663	1.8
71.37012	1.8
72.93784	8.9
73.02901	4.1
79.05488	10.0
79.71085	1.0
81.03384	2.5
81.07051	10.9
84.04459	1.1
84.96046	1.6
85.02888	4.5
87.04459	1.3
88.96903	5.9
90.94809	3.1
91.05466	17.3
93.07044	18.5
95.04969	6.7
95.08607	7.0
96.05602	1.6
97.02877	4.5
97.06493	2.3
98.97580	1.6
99.04414	1.1
105.03378	2.1
105.07024	30.3
107.04961	1.8
107.08590	100.0
109.06538	5.7
109.10133	4.8
111.04474	1.4
111.98468	12.3
113.05962	1.1
113.08241	8.8
114.64125	1.2
114.94834	1.0
116.98651	1.2
117.06987	1.8
119.04923	2.9
119.08569	15.8
121.02869	7.1
121.06470	2.2
121.10137	15.4
123.04401	3.2
123.08067	2.5
123.11692	4.6
125.05977	2.6
125.09612	1.7
128.06200	1.3
129.99519	10.3
131.08554	3.3
131.97450	1.5
132.95836	13.2
133.06477	1.3
133.10124	56.2
135.08012	1.6
135.11665	4.7
137.05949	4.9
137.08211	2.6
137.09608	5.1
138.06700	2.3
139.07521	4.2
141.06976	2.2
143.08548	2.7
146.07254	1.3
146.99602	1.1
148.02876	1.5
149.09598	9.4
150.96881	54.0
151.03908	10.1
151.04987	1.5
151.07545	4.3
151.11191	20.2
153.01045	1.3
155.09253	4.5
155.97415	15.8
161.09610	16.0
165.05499	1.2
167.10666	26.5
168.97932	2.8
169.06410	2.6
169.08611	1.4
173.98485	36.8
177.66222	1.0
179.00180	2.1
179.09247	2.3
179.10654	44.2
179.14119	1.3
197.01215	4.8
197.04375	1.8
197.05992	3.8
197.07951	2.6
197.11728	47.1
198.18570	3.8
209.01253	1.4
215.02408	1.6
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	Kobifuranone A
Peak:m/z	Relative Intensity
53.03927	1.5
54.75574	0.7
55.01857	1.5
55.05510	4.0
56.96545	1.7
57.07064	1.6
59.04994	3.1
65.03928	1.2
67.05501	4.9
69.03411	2.0
69.07056	2.8
70.90958	1.9
70.95863	7.5
71.04969	0.7
71.06113	0.6
72.93782	3.5
73.02904	1.6
75.71421	0.6
79.05487	7.0
81.07046	7.7
82.06675	0.6
83.04946	1.7
83.08595	0.7
85.06564	0.7
88.82919	0.6
88.96883	2.0
91.05473	23.4
93.07037	26.7
95.04967	10.6
95.06035	0.8
95.08603	4.7
97.02900	0.8
97.06483	1.4
105.03355	0.8
105.07018	38.7
107.04918	0.9
107.08585	76.9
109.06508	7.9
109.10153	7.6
111.08054	0.8
111.98461	5.7
113.06023	1.3
113.08231	5.3
113.96317	1.1
115.05448	0.8
117.07014	1.8
118.07779	1.2
119.04948	3.7
119.08582	8.0
121.06495	6.4
121.10164	1.6
123.04429	3.7
123.08071	1.3
123.11682	3.5
125.05955	3.0
127.03916	0.8
128.06207	0.8
129.99487	5.3
131.08589	3.1
132.95818	8.9
133.06528	1.2
133.10118	72.0
135.08058	1.5
135.11678	56.0
137.05981	5.1
137.08194	1.1
137.09593	5.8
138.06738	1.0
141.05417	1.1
143.08574	1.6
146.07245	2.9
147.04407	0.7
150.96877	20.8
151.03888	5.2
151.07559	1.2
151.11195	6.1
155.09288	2.7
155.97392	5.8
161.09604	36.0
168.97914	1.1
173.98483	14.3
179.10655	100.0
180.11046	1.3
192.27802	0.8
197.00317	0.7
197.11716	68.3
198.18544	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.10150	0.6
55.01842	1.0
55.05512	3.5
56.60772	0.7
57.07059	2.0
59.04976	3.0
62.41903	0.7
65.03918	1.2
66.61330	0.7
67.05500	5.5
69.03439	1.0
69.07046	2.1
70.95808	2.0
71.04979	1.8
72.93776	1.6
79.05486	6.0
81.06641	0.7
81.07053	8.7
83.04979	0.8
83.08604	0.8
85.06524	1.2
88.96876	0.8
91.04891	1.0
91.05470	19.1
93.07031	22.7
95.04966	7.9
95.08585	5.0
95.24050	0.6
105.07021	30.2
107.04935	1.3
107.08583	65.9
109.06516	7.8
109.10146	8.1
111.98462	2.6
113.05988	1.5
113.08207	2.0
115.05454	0.9
117.06984	1.1
118.07780	0.8
119.04919	2.9
119.06045	1.1
119.08576	9.6
121.06499	5.9
121.10136	1.8
123.04395	5.1
123.08064	0.8
123.11715	3.7
129.99483	1.8
131.08525	2.1
132.95795	2.4
133.10117	65.4
135.08067	1.4
135.11678	54.5
136.12015	1.0
137.05945	4.0
137.09602	4.7
141.05424	1.5
143.08556	1.7
146.07222	1.6
150.96869	8.1
151.03911	0.9
151.07513	0.9
151.11172	6.4
155.03311	1.0
155.09312	1.5
155.97398	2.2
157.79575	0.7
161.09604	33.0
173.98431	5.1
179.07233	1.9
179.10655	100.0
180.11064	1.6
196.66290	0.6
197.08000	2.3
197.11720	67.9
198.12036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
50.16388	0.3
50.18755	0.4
53.03935	0.5
55.01867	2.5
55.05500	1.1
55.68832	0.3
55.93519	0.4
56.05019	1.0
56.96288	0.4
56.96563	5.3
57.07070	0.6
59.06115	0.6
60.04507	0.6
65.03928	2.7
67.05498	3.1
68.05003	0.6
68.99786	0.3
69.03418	0.7
69.04565	0.4
69.07052	0.9
69.30497	2.8
69.30917	0.9
70.06567	0.4
70.95862	9.1
71.01321	0.5
71.04967	0.8
71.06115	0.9
71.08616	0.3
72.93783	5.8
73.02916	18.8
79.05479	1.2
81.03432	0.5
81.04548	0.8
81.07059	1.5
81.98135	0.4
83.04994	0.5
83.06108	1.0
83.08603	0.6
85.02906	1.4
87.00032	0.3
88.96888	2.9
90.94834	2.1
91.03951	0.9
91.05474	3.7
91.95598	0.3
93.03398	0.6
93.05777	0.4
93.07030	1.5
95.01334	0.4
95.04987	2.7
95.06087	1.9
95.08595	0.7
96.05627	1.1
97.02907	0.7
97.06503	0.8
97.07620	0.5
98.97566	1.1
99.04436	0.4
99.05566	0.7
101.07169	0.3
105.03386	0.4
105.07005	1.8
106.97954	0.6
107.04951	0.8
107.08593	3.3
108.02108	2.2
108.95860	0.5
109.02853	1.0
109.06509	1.4
109.10162	0.9
110.03654	2.3
110.07166	0.5
110.97585	0.4
111.04439	2.5
111.05571	0.7
111.08084	0.5
111.98473	5.9
113.08252	7.9
113.96402	1.2
114.06647	0.4
114.94788	0.4
116.98634	1.1
117.02056	0.5
119.01904	0.5
119.04920	2.2
119.08569	0.9
121.04018	0.5
121.05234	0.4
121.06467	0.6
122.05569	0.7
122.07143	0.4
123.04432	1.1
123.05540	0.4
123.08046	1.1
125.05992	14.5
125.06948	0.8
127.03928	0.7
129.99512	7.5
130.00459	0.5
130.01805	0.5
131.97433	0.9
132.95831	8.4
133.02826	0.3
133.06485	0.9
133.10139	3.0
134.07076	0.4
134.99657	1.5
135.11691	2.4
136.01558	0.5
136.07578	1.9
137.06018	1.8
137.08008	5.8
137.09544	0.5
138.06668	1.4
139.07507	0.4
140.08177	0.5
141.05476	5.1
146.99684	0.4
147.04393	0.5
148.02806	1.5
149.05962	3.0
150.96890	30.6
151.03903	100.0
151.04997	7.3
151.07445	4.0
151.11156	0.8
151.97118	0.4
152.04234	1.4
152.08176	0.7
153.00822	0.4
154.06284	0.5
154.90736	0.5
155.09299	4.1
155.97412	8.5
155.99576	0.8
161.09662	1.9
164.07045	0.4
165.07411	1.4
165.88899	0.3
168.97902	2.4
169.08629	0.8
172.95248	0.9
173.98491	19.8
174.00667	1.8
174.03664	1.1
179.03477	0.6
179.07031	16.5
179.09285	2.1
179.10576	3.6
180.07529	0.6
183.04190	1.4
183.98315	0.4
190.96359	0.8
191.99635	0.5
192.01759	1.3
192.04718	0.4
197.00150	1.1
197.04442	0.5
197.06178	0.7
197.08095	4.7
197.10231	2.9
197.11826	2.2
197.13560	0.7
197.17445	0.6
198.18549	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0809
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
53.03931	0.8
55.01866	2.6
58.75736	0.3
61.43015	0.3
65.03932	1.8
67.05492	2.0
69.65868	2.4
70.88939	0.3
70.95849	1.0
73.02914	20.0
77.04336	0.3
91.05463	2.2
93.03408	0.6
95.04982	1.7
107.08570	0.3
107.86638	0.3
108.02105	2.8
109.02838	0.6
110.03653	2.4
111.04441	1.9
111.98465	0.5
113.08246	0.9
113.27364	0.3
119.04954	1.9
125.05986	13.5
132.95831	1.1
136.01511	0.4
137.05986	0.8
141.05478	4.3
149.05959	2.7
150.96906	2.7
151.03905	100.0
151.05000	8.0
151.07426	3.4
152.04240	1.5
155.09348	0.4
155.97455	1.0
173.98491	2.0
179.07031	18.4
197.08083	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	197.0445
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
51.02402	0.6
52.42791	0.5
53.45742	0.4
55.01889	0.9
55.05508	0.8
56.96564	15.7
56.96840	0.9
57.03425	2.3
57.07082	0.7
58.06601	1.1
58.99869	0.7
59.05023	0.5
59.09755	0.5
61.02922	3.0
67.05504	1.0
69.03432	1.4
69.23243	0.4
69.43230	4.0
69.99629	0.5
70.95876	2.2
70.98159	1.1
70.99888	0.5
71.05000	1.0
71.95271	1.3
72.08131	0.5
72.93784	2.3
73.02933	1.7
76.76647	0.5
77.00891	0.8
79.01840	4.2
79.05491	0.7
81.03415	0.7
81.07058	1.0
84.96036	0.7
85.02893	2.3
88.96921	0.6
88.99152	0.8
90.94836	0.5
91.00488	0.4
91.05489	1.3
92.01292	0.5
95.01331	0.5
95.04986	0.9
95.08627	0.8
97.02371	0.6
97.02884	2.3
97.30532	0.5
98.01331	0.7
98.97602	3.0
99.04477	1.0
101.00871	2.8
105.07040	0.6
107.01350	0.6
107.04938	1.4
107.08604	1.7
109.02901	0.7
110.97578	0.4
111.04447	0.8
111.98465	2.2
112.01033	0.6
113.02421	0.7
113.08265	1.4
116.98624	3.6
117.01884	1.1
118.01039	0.9
118.03577	0.9
119.01919	19.6
119.04952	0.5
120.02055	0.8
121.01567	2.0
121.03392	0.9
121.06490	0.6
122.02346	0.5
123.04411	1.2
125.02364	3.6
127.03919	0.7
128.02301	0.5
128.98622	1.6
129.99524	1.4
130.01906	0.5
131.00168	0.5
131.01883	2.8
132.00697	0.5
132.95859	3.5
133.03505	0.9
133.10130	1.6
134.05966	0.6
134.99649	2.8
135.11696	1.1
136.93074	1.0
137.02953	6.1
137.05956	2.6
137.08105	0.7
138.03238	0.5
139.03850	0.6
141.01265	1.1
142.03487	0.5
142.96516	2.6
143.00204	0.7
143.03409	9.0
144.99858	1.8
146.99673	1.5
147.04378	0.7
149.02901	1.0
150.01846	0.6
150.96906	8.8
151.03922	1.7
152.07060	1.7
153.01831	100.0
153.02853	4.3
154.02113	0.6
154.90782	2.2
154.94145	0.5
155.01045	0.8
155.09354	0.8
155.97353	2.8
158.99623	0.6
159.52676	0.5
160.97583	4.5
161.01302	0.6
161.02959	0.9
161.09625	1.1
162.99118	0.5
165.00706	1.1
168.99860	0.8
172.00443	1.3
172.95216	4.5
172.97662	0.5
173.02740	0.6
173.98514	5.8
174.00758	0.8
174.99149	0.6
177.00699	1.4
178.98582	1.1
179.06967	0.6
179.09238	0.8
179.10672	2.0
181.00919	0.7
183.03075	0.5
187.00873	0.7
190.96313	3.0
190.98648	0.8
193.00160	2.1
196.91835	2.7
197.04454	85.3
197.11713	1.4
198.04767	1.3
199.10814	0.5
205.00125	0.8
205.01947	0.6
208.99750	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
55.05505	2.9
55.93518	1.1
56.05032	0.8
56.96564	100.0
57.03433	13.4
57.07076	1.3
58.06591	4.1
59.05004	0.7
59.06932	2.0
61.02924	34.9
62.03263	0.8
65.03934	1.5
67.05502	2.7
68.99784	1.5
69.03429	3.8
69.07077	0.9
69.59757	4.6
70.06593	2.4
70.95862	9.0
70.96219	0.7
70.98122	6.1
71.01359	2.4
71.04994	2.3
71.95255	2.8
72.93797	5.7
72.96043	0.6
73.02918	9.8
73.03301	0.9
74.97603	6.7
75.01054	0.7
76.07642	0.9
77.00886	2.0
79.05488	2.7
81.03421	3.6
81.07063	2.6
82.00014	2.5
83.00788	2.1
83.04983	1.3
84.01565	1.7
84.04511	0.7
84.08154	0.9
84.96036	3.6
85.02905	12.5
86.03707	1.2
86.97600	1.3
87.00843	1.8
87.04461	1.3
88.96915	3.6
88.99163	6.4
89.00793	2.6
90.94858	2.2
91.00515	13.6
91.02387	1.2
91.05480	3.6
92.01312	2.3
92.98666	1.8
93.07054	1.8
95.01336	2.5
95.01886	0.9
95.04965	3.0
95.08620	2.1
97.00526	1.4
97.02914	2.4
97.99165	0.7
98.01291	7.4
98.21519	0.7
98.97581	8.9
99.04474	2.0
100.01040	10.5
100.02438	1.0
100.05263	1.5
100.99136	3.3
101.00866	3.6
101.01801	0.6
101.02403	1.1
102.97111	0.6
103.00535	2.6
103.02457	1.6
103.03929	0.7
104.01311	2.2
105.02065	1.4
105.03418	1.9
105.07047	3.5
106.01047	3.1
107.00199	2.9
107.01819	3.5
107.04953	4.3
107.08599	5.1
108.95887	1.3
109.00505	1.3
109.02927	2.4
109.06535	2.1
109.10200	1.5
109.52152	0.8
110.01286	2.5
110.03677	1.1
110.97594	2.4
111.00271	2.6
111.04478	1.6
111.50580	0.7
111.53677	0.9
111.98479	7.9
112.01018	31.9
112.07594	0.6
113.01701	0.8
113.02392	7.5
113.96458	0.8
115.00779	0.9
115.01562	1.6
115.02337	0.7
115.60674	0.6
115.97860	0.8
116.98619	9.6
116.99322	0.8
117.01910	2.0
118.01016	6.7
118.03573	2.0
118.48120	0.6
119.00197	5.3
119.01897	27.5
119.03564	1.0
119.04964	1.3
119.08587	1.4
120.00737	2.8
121.01541	65.3
121.06483	0.7
121.51714	3.1
122.03125	2.9
123.00244	1.8
123.04411	6.0
123.08105	1.0
123.11698	0.6
123.51807	3.0
124.01045	2.3
124.01918	0.7
124.95493	0.6
125.00011	1.6
125.06060	2.4
126.00827	0.8
126.02589	0.8
127.01525	4.9
127.03978	2.1
127.51685	1.0
128.02290	6.1
128.52490	1.1
128.98598	6.1
129.02043	3.0
129.02913	0.5
129.03986	0.9
129.99515	8.1
130.02888	0.8
130.52548	0.6
130.96523	0.7
131.00092	0.9
131.01895	3.7
131.97423	0.8
132.00766	4.2
132.01746	0.9
132.52324	4.1
132.95819	9.6
132.96620	0.7
133.01625	1.6
133.02570	1.4
133.03502	2.1
133.10121	4.9
134.00533	1.1
134.05998	0.7
134.99657	9.5
135.03131	1.0
135.04456	1.6
135.11670	4.4
136.93195	1.2
137.00137	0.7
137.01186	1.3
137.02974	9.5
137.05978	4.9
137.09633	0.7
138.02579	0.7
138.06703	0.9
139.01546	1.4
139.03943	1.2
140.02263	1.0
141.01263	9.7
141.02235	0.8
141.05484	1.1
141.51451	0.6
142.02971	2.1
142.96500	3.1
143.00195	0.8
143.03464	1.1
144.98064	7.6
144.99855	2.2
145.01564	1.1
145.03503	2.3
146.00531	2.6
146.02362	0.7
146.99652	10.7
147.01363	1.4
147.04315	0.7
148.00092	0.7
148.02013	1.0
148.03024	0.9
148.97571	3.3
149.01221	2.4
149.02971	1.3
149.06036	0.8
149.97255	1.4
150.01794	29.2
150.52014	1.4
150.96880	35.9
150.99251	1.9
151.02753	0.8
151.03883	15.8
151.07594	1.8
151.11177	1.1
152.07080	4.0
153.00734	1.4
153.01122	1.1
153.01945	6.0
153.05490	1.1
154.00288	0.9
154.06322	1.2
154.90756	1.5
154.94212	1.9
155.01073	2.3
155.09329	0.8
155.97404	9.4
157.02519	0.8
157.03653	0.9
158.99635	2.9
159.02325	5.0
159.05061	0.6
159.52696	0.8
160.00307	1.2
160.97577	8.4
160.98689	0.6
161.01193	4.0
161.03027	1.2
161.07175	2.1
161.09679	2.2
161.52661	2.1
162.01833	2.4
162.99144	19.2
163.00523	0.8
163.99602	0.7
165.00685	6.1
166.05864	2.3
166.98711	1.6
167.01048	1.0
168.98022	2.6
169.00201	1.8
169.08597	1.2
170.01404	0.6
170.02991	1.0
172.95241	7.1
172.99292	1.1
173.01266	1.5
173.03012	1.1
173.98474	19.7
174.06107	0.7
174.99100	4.3
176.01489	3.4
177.00670	3.5
177.02254	0.6
178.98691	2.5
179.02225	0.9
179.03616	1.0
179.07030	2.6
179.08339	1.3
179.10632	6.3
180.02934	0.7
180.06616	1.1
181.00192	15.0
183.01741	0.8
186.04700	0.8
186.99211	1.4
187.00891	1.5
188.97171	2.1
189.00739	1.8
190.96300	7.8
190.98717	2.7
191.00374	1.0
191.02240	1.3
193.00211	7.9
196.91895	1.4
197.04460	7.7
197.05939	1.0
197.08006	0.6
197.11620	4.0
197.17130	0.8
198.18631	2.4
199.01231	2.7
199.04543	0.7
201.00813	1.6
202.98773	0.8
203.02304	1.2
204.02173	0.8
205.00166	11.9
206.98183	2.1
207.01866	2.4
208.99812	1.8
211.01277	2.0
215.02208	0.8
219.01764	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.8
55.05505	2.9
55.93518	1.1
56.05032	0.8
56.96564	100.0
57.03433	13.4
57.07076	1.3
58.06591	4.1
59.05004	0.7
59.06932	2.0
61.02924	34.9
62.03263	0.8
65.03934	1.5
67.05502	2.7
68.99784	1.5
69.03429	3.8
69.07077	0.9
69.59757	4.6
70.06593	2.4
70.95862	9.0
70.96219	0.7
70.98122	6.1
71.01359	2.4
71.04994	2.3
71.95255	2.8
72.93797	5.7
72.96043	0.6
73.02918	9.8
73.03301	0.9
74.97603	6.7
75.01054	0.7
76.07642	0.9
77.00886	2.0
79.05488	2.7
81.03421	3.6
81.07063	2.6
82.00014	2.5
83.00788	2.1
83.04983	1.3
84.01565	1.7
84.04511	0.7
84.08154	0.9
84.96036	3.6
85.02905	12.5
86.03707	1.2
86.97600	1.3
87.00843	1.8
87.04461	1.3
88.96915	3.6
88.99163	6.4
89.00793	2.6
90.94858	2.2
91.00515	13.6
91.02387	1.2
91.05480	3.6
92.01312	2.3
92.98666	1.8
93.07054	1.8
95.01336	2.5
95.01886	0.9
95.04965	3.0
95.08620	2.1
97.00526	1.4
97.02914	2.4
97.99165	0.7
98.01291	7.4
98.21519	0.7
98.97581	8.9
99.04474	2.0
100.01040	10.5
100.02438	1.0
100.05263	1.5
100.99136	3.3
101.00866	3.6
101.01801	0.6
101.02403	1.1
102.97111	0.6
103.00535	2.6
103.02457	1.6
103.03929	0.7
104.01311	2.2
105.02065	1.4
105.03418	1.9
105.07047	3.5
106.01047	3.1
107.00199	2.9
107.01819	3.5
107.04953	4.3
107.08599	5.1
108.95887	1.3
109.00505	1.3
109.02927	2.4
109.06535	2.1
109.10200	1.5
109.52152	0.8
110.01286	2.5
110.03677	1.1
110.97594	2.4
111.00271	2.6
111.04478	1.6
111.50580	0.7
111.53677	0.9
111.98479	7.9
112.01018	31.9
112.07594	0.6
113.01701	0.8
113.02392	7.5
113.96458	0.8
115.00779	0.9
115.01562	1.6
115.02337	0.7
115.60674	0.6
115.97860	0.8
116.98619	9.6
116.99322	0.8
117.01910	2.0
118.01016	6.7
118.03573	2.0
118.48120	0.6
119.00197	5.3
119.01897	27.5
119.03564	1.0
119.04964	1.3
119.08587	1.4
120.00737	2.8
121.01541	65.3
121.06483	0.7
121.51714	3.1
122.03125	2.9
123.00244	1.8
123.04411	6.0
123.08105	1.0
123.11698	0.6
123.51807	3.0
124.01045	2.3
124.01918	0.7
124.95493	0.6
125.00011	1.6
125.06060	2.4
126.00827	0.8
126.02589	0.8
127.01525	4.9
127.03978	2.1
127.51685	1.0
128.02290	6.1
128.52490	1.1
128.98598	6.1
129.02043	3.0
129.02913	0.5
129.03986	0.9
129.99515	8.1
130.02888	0.8
130.52548	0.6
130.96523	0.7
131.00092	0.9
131.01895	3.7
131.97423	0.8
132.00766	4.2
132.01746	0.9
132.52324	4.1
132.95819	9.6
132.96620	0.7
133.01625	1.6
133.02570	1.4
133.03502	2.1
133.10121	4.9
134.00533	1.1
134.05998	0.7
134.99657	9.5
135.03131	1.0
135.04456	1.6
135.11670	4.4
136.93195	1.2
137.00137	0.7
137.01186	1.3
137.02974	9.5
137.05978	4.9
137.09633	0.7
138.02579	0.7
138.06703	0.9
139.01546	1.4
139.03943	1.2
140.02263	1.0
141.01263	9.7
141.02235	0.8
141.05484	1.1
141.51451	0.6
142.02971	2.1
142.96500	3.1
143.00195	0.8
143.03464	1.1
144.98064	7.6
144.99855	2.2
145.01564	1.1
145.03503	2.3
146.00531	2.6
146.02362	0.7
146.99652	10.7
147.01363	1.4
147.04315	0.7
148.00092	0.7
148.02013	1.0
148.03024	0.9
148.97571	3.3
149.01221	2.4
149.02971	1.3
149.06036	0.8
149.97255	1.4
150.01794	29.2
150.52014	1.4
150.96880	35.9
150.99251	1.9
151.02753	0.8
151.03883	15.8
151.07594	1.8
151.11177	1.1
152.07080	4.0
153.00734	1.4
153.01122	1.1
153.01945	6.0
153.05490	1.1
154.00288	0.9
154.06322	1.2
154.90756	1.5
154.94212	1.9
155.01073	2.3
155.09329	0.8
155.97404	9.4
157.02519	0.8
157.03653	0.9
158.99635	2.9
159.02325	5.0
159.05061	0.6
159.52696	0.8
160.00307	1.2
160.97577	8.4
160.98689	0.6
161.01193	4.0
161.03027	1.2
161.07175	2.1
161.09679	2.2
161.52661	2.1
162.01833	2.4
162.99144	19.2
163.00523	0.8
163.99602	0.7
165.00685	6.1
166.05864	2.3
166.98711	1.6
167.01048	1.0
168.98022	2.6
169.00201	1.8
169.08597	1.2
170.01404	0.6
170.02991	1.0
172.95241	7.1
172.99292	1.1
173.01266	1.5
173.03012	1.1
173.98474	19.7
174.06107	0.7
174.99100	4.3
176.01489	3.4
177.00670	3.5
177.02254	0.6
178.98691	2.5
179.02225	0.9
179.03616	1.0
179.07030	2.6
179.08339	1.3
179.10632	6.3
180.02934	0.7
180.06616	1.1
181.00192	15.0
183.01741	0.8
186.04700	0.8
186.99211	1.4
187.00891	1.5
188.97171	2.1
189.00739	1.8
190.96300	7.8
190.98717	2.7
191.00374	1.0
191.02240	1.3
193.00211	7.9
196.91895	1.4
197.04460	7.7
197.05939	1.0
197.08006	0.6
197.11620	4.0
197.17130	0.8
198.18631	2.4
199.01231	2.7
199.04543	0.7
201.00813	1.6
202.98773	0.8
203.02304	1.2
204.02173	0.8
205.00166	11.9
206.98183	2.1
207.01866	2.4
208.99812	1.8
211.01277	2.0
215.02208	0.8
219.01764	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	196.0967
Annotation	N-Salicyloyl-2-aminopropan-1-ol
Peak:m/z	Relative Intensity
55.05508	0.8
56.05033	2.9
56.96561	1.4
58.06596	100.0
65.03934	0.9
67.05505	0.9
68.05032	0.5
69.07072	0.4
70.06586	0.5
70.95858	2.5
72.93803	1.5
73.02934	0.6
76.07639	31.8
79.05518	0.4
81.07061	1.5
83.08630	0.4
88.96899	0.5
90.94843	0.5
91.05495	1.0
93.03440	0.5
95.05015	0.5
97.02897	0.3
97.26739	0.4
97.80540	0.4
98.97599	1.4
107.04935	0.4
107.08585	0.8
109.06544	0.7
110.07140	0.6
111.98457	1.8
113.08242	0.6
116.98634	1.3
121.02862	24.4
121.58466	0.3
122.09656	0.6
122.23846	0.4
125.06053	0.5
128.02342	0.4
129.99532	1.7
131.96170	0.6
132.95854	2.4
134.99657	1.0
137.02896	0.4
137.05980	0.7
138.06645	0.6
146.99652	0.4
147.04465	0.5
149.97214	1.9
150.05539	1.3
150.96880	7.6
151.03883	2.6
154.97774	0.4
155.09248	0.4
155.97348	1.9
161.02899	0.4
165.05467	9.2
167.21172	0.4
168.97871	0.5
172.98880	0.8
173.98486	4.7
177.00751	0.8
178.01202	0.4
178.04846	2.0
179.03365	0.9
179.07028	0.4
192.04727	0.4
196.03264	1.1
196.06042	0.8
196.09656	0.5
196.13394	0.6
196.16957	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	196.0968
Annotation	N-Salicyloyl-2-aminopropan-1-ol
Peak:m/z	Relative Intensity
56.05032	2.8
56.96568	1.1
58.06598	100.0
65.03949	2.0
69.96177	0.4
70.04671	2.5
70.95859	0.9
72.93769	0.6
76.07641	22.5
91.60621	0.4
95.18947	0.4
98.21528	0.5
98.50745	0.5
107.45398	0.5
111.04459	2.5
111.98498	0.7
113.08253	0.5
121.02862	80.6
122.03186	1.5
129.99481	0.8
131.96124	0.7
132.95834	1.0
136.07619	0.9
149.97247	0.8
150.05507	0.4
150.96877	3.1
162.65231	0.4
165.05470	40.4
166.05814	0.9
172.95303	1.1
172.98737	0.4
173.98456	1.8
196.09624	2.7
196.16917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
50.56040	1.1
53.03945	2.7
53.85545	1.1
55.01855	4.1
55.05301	1.1
55.05510	12.7
56.96567	8.6
57.03427	5.2
57.07063	1.5
61.06744	1.2
65.03928	4.0
67.05503	48.9
69.06773	1.2
69.07072	14.1
71.01349	2.1
71.05003	8.9
71.59425	1.9
73.02930	2.1
74.20277	1.2
79.05491	39.9
81.03416	9.0
81.07054	100.0
82.07375	2.0
83.04981	15.3
83.08617	11.0
85.06519	5.0
87.04465	1.4
89.06028	2.1
91.04958	2.2
91.05478	23.1
93.07041	60.7
95.04985	8.2
95.08602	41.5
97.06524	15.5
97.10143	2.0
99.08083	2.3
105.07024	10.8
107.04948	5.1
107.08592	26.0
109.06490	9.0
109.10130	4.5
111.04444	1.5
111.08128	6.5
111.08750	1.5
116.76570	1.1
117.03386	2.1
117.07005	10.1
119.08578	4.5
121.06530	6.0
121.10147	7.9
123.08053	3.7
131.08571	10.5
131.96159	1.9
133.10120	14.7
135.04384	2.4
135.08083	6.8
135.11694	30.1
138.06596	4.5
139.03893	1.5
145.02803	3.7
147.11694	2.1
148.97368	1.6
149.01216	1.8
149.02368	1.7
149.05943	2.7
149.09599	4.0
149.13258	20.6
149.97150	5.9
151.11205	2.3
159.11693	18.2
163.03876	2.6
165.06966	1.6
167.03433	3.5
167.14215	1.3
171.98871	1.6
177.05438	5.1
177.09149	2.0
177.12744	15.8
183.83755	1.3
195.02879	11.4
195.06485	3.5
195.08458	3.1
195.10147	3.5
195.11862	2.4
195.13782	15.5
195.15540	1.7
196.09654	1.3
196.16917	1.9
213.07988	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03936	8.1
55.01858	11.5
55.05494	22.6
56.96551	44.9
57.03436	40.5
57.07060	12.1
63.12866	6.1
65.03911	9.7
65.98676	6.3
67.05503	43.7
68.96301	10.0
69.03432	8.8
69.07059	50.3
69.96158	7.0
71.04975	10.6
71.60303	11.3
72.93776	6.0
79.05482	53.7
79.55466	5.7
81.07059	54.6
83.04962	19.0
83.08604	10.4
85.06560	31.4
89.03904	13.3
89.06020	24.9
91.05463	25.0
92.38529	6.6
93.03401	6.4
93.07034	85.3
95.04983	30.4
95.08604	67.4
97.06500	17.1
103.05373	6.4
105.07017	28.0
107.04956	33.1
107.08592	55.3
109.06500	23.8
109.10134	15.7
109.98949	8.2
111.04414	10.0
111.08075	24.7
117.03365	25.8
119.08553	13.7
121.06522	11.3
121.10151	34.5
123.08054	100.0
125.05971	10.8
131.08546	8.8
133.06517	8.5
133.10103	21.7
135.04419	18.2
135.08073	30.1
135.11684	98.5
135.23888	6.1
137.09668	15.0
138.06607	17.4
145.02805	50.6
148.97336	12.8
149.05952	19.8
149.09593	22.4
149.13240	21.9
149.97171	31.1
152.05946	13.7
154.19437	5.4
159.11653	18.2
161.06497	15.9
163.03853	38.4
165.07050	17.9
167.03317	6.0
171.98936	15.3
172.98828	12.0
177.05492	61.9
177.09122	9.2
177.12724	68.5
180.09323	14.0
195.02879	65.8
195.06544	11.3
195.08672	25.9
195.10210	17.1
195.11732	26.2
195.13773	59.9
195.15506	13.7
196.16937	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	195.0863
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
53.03940	7.4
55.01867	10.8
56.96568	34.4
57.03436	30.6
59.16061	2.3
60.04526	15.7
60.56910	2.3
61.02928	19.3
61.04849	5.9
69.03442	14.8
70.06591	4.4
70.20432	10.5
71.04984	11.0
73.02923	24.3
74.02958	2.6
77.00897	3.1
79.05479	4.4
81.03414	100.0
82.06579	2.6
84.08156	3.7
85.02903	22.0
88.02657	2.7
89.06004	3.8
91.05445	2.7
94.93040	3.6
95.04941	2.5
97.02888	9.8
98.21426	3.0
98.97578	4.2
99.04449	7.7
100.02470	11.9
101.00883	6.9
102.02382	2.6
103.02448	2.9
105.00343	2.4
107.08565	3.0
109.02872	56.3
109.03580	3.7
111.02916	9.5
111.04462	3.3
113.00856	2.7
113.05936	2.9
115.01499	2.8
115.02422	6.0
116.98618	3.9
118.03545	13.5
119.01909	43.3
123.02955	2.7
124.03909	3.1
126.03485	3.1
127.03918	8.5
131.01897	26.7
133.03487	9.4
134.99669	3.2
135.08148	3.1
136.94005	38.7
137.02956	11.5
138.06712	2.9
140.77084	2.4
142.03526	2.4
143.01910	7.1
144.99834	6.3
145.03477	10.2
146.99644	7.5
147.01398	4.1
147.05013	4.0
149.01172	6.4
149.02846	5.4
149.05908	4.2
149.97189	3.9
150.01842	3.6
150.05475	3.7
153.05505	3.6
155.01891	8.9
157.03471	10.3
159.05092	2.5
161.02939	15.6
163.00771	3.3
163.04504	3.0
165.00751	3.9
168.99901	3.0
171.01395	7.6
172.02872	5.8
172.95277	5.6
172.99341	7.3
173.02951	26.8
175.04639	3.2
177.00851	2.6
177.02466	4.8
177.10309	3.1
185.03011	13.2
187.00859	4.1
188.97072	3.6
189.02489	9.5
190.05640	3.2
190.96185	4.3
190.98729	4.7
191.00381	7.3
191.04044	5.6
195.03009	4.5
195.11316	8.2
196.00937	6.9
201.02466	4.1
203.04048	9.2
214.02063	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
50.96962	0.3
53.03944	1.1
55.01875	0.9
55.05511	1.0
56.96556	2.0
57.07050	0.4
63.02389	0.7
65.03934	1.3
66.09305	0.3
67.05486	1.2
69.03417	0.7
69.07056	1.1
71.04964	0.5
71.12971	0.7
78.04704	1.4
79.05494	3.1
81.03391	0.7
81.07042	2.4
83.04982	0.6
83.08598	0.5
85.02906	0.6
89.03911	29.0
89.06026	0.8
91.05482	4.9
93.03400	0.7
93.07060	3.4
95.04942	1.9
95.08580	0.8
97.02901	0.4
97.06531	0.4
98.97587	1.8
103.05475	1.4
105.03393	0.5
105.07006	1.2
106.04188	1.9
107.04946	3.9
107.08600	3.0
109.06503	0.8
111.04415	2.5
111.08091	0.6
116.98614	1.3
117.03374	53.0
119.04907	0.7
119.08556	0.5
121.02896	0.4
121.06502	2.1
121.10139	1.4
123.04469	0.6
124.05186	1.4
125.06001	1.4
131.04971	0.6
131.08519	1.1
133.02826	1.0
134.03636	9.1
134.99654	0.7
135.04414	10.7
135.08058	1.3
135.11694	1.2
137.05969	0.4
137.09497	0.4
137.87811	0.3
138.06604	1.1
139.03923	0.9
139.07536	0.7
145.02835	93.1
146.03166	0.6
148.97379	0.8
149.05971	25.0
149.09610	1.4
149.13269	0.5
153.05446	2.5
158.06033	0.4
159.11760	0.5
162.03079	2.8
163.03897	12.3
163.07603	0.5
167.03445	1.1
167.07085	0.7
171.98947	0.7
177.05458	100.0
178.05772	0.9
186.05504	1.6
195.02921	2.1
195.06572	2.4
195.08324	0.8
195.10237	1.2
195.13896	0.9
207.92261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
53.03925	1.8
55.01871	1.6
55.05257	1.9
55.05506	27.0
57.03432	1.9
57.07061	9.1
59.04985	1.8
65.03925	1.1
67.05164	2.0
67.05499	30.9
69.03430	15.1
69.06722	1.3
69.07068	21.2
70.00997	2.0
70.01402	4.5
71.04986	6.3
79.05483	10.2
81.03399	1.5
81.07056	39.5
83.04977	29.2
83.08611	14.8
85.06531	8.5
87.08089	1.6
87.84029	1.4
91.05473	15.0
93.06461	1.9
93.07034	26.4
95.04952	5.7
95.08600	68.7
96.08913	1.4
96.93051	1.3
97.06503	5.5
97.10152	4.5
99.08079	2.3
105.07020	30.5
107.08588	57.5
109.06508	21.5
109.10150	90.2
110.10472	2.0
111.08076	8.2
117.06976	1.7
118.04178	1.5
119.08572	72.0
120.08961	1.3
121.10140	42.9
121.11018	2.2
123.07179	2.8
123.08058	47.8
123.11694	12.5
125.09615	3.0
129.44164	1.1
131.08563	3.4
133.06535	5.8
133.10127	57.4
135.11681	100.0
136.12013	2.7
137.06006	1.8
137.08517	1.6
137.09604	34.6
138.10362	4.9
145.10104	1.6
147.11678	7.2
149.02335	1.5
149.13257	27.3
151.11171	11.2
151.14824	12.6
161.05949	4.4
165.16422	2.8
175.14815	47.2
176.15239	1.3
193.04938	4.2
193.08626	2.9
193.15863	82.9
194.16208	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03937	1.1
55.05506	10.5
57.07069	3.8
59.04984	1.6
65.03931	1.5
67.05493	10.3
69.03395	1.0
69.07063	24.4
69.36497	6.5
69.36909	1.4
71.04984	14.7
79.05482	7.6
81.03403	1.8
81.07053	22.8
83.04978	2.1
83.08593	3.6
85.06534	14.3
87.00196	0.6
91.05466	7.1
93.07034	25.9
95.04961	35.1
95.08598	19.6
97.06516	3.5
97.10168	8.2
98.21594	0.9
99.08083	3.6
104.06255	0.9
105.07012	12.0
107.08588	35.5
108.08864	1.0
109.06508	100.0
109.10146	15.1
109.91084	0.9
110.06846	1.6
111.08092	5.5
111.11710	1.8
119.08569	26.3
121.10133	9.0
123.08066	7.6
123.11697	19.9
125.09604	1.2
133.02844	2.9
133.06477	2.5
133.10118	22.0
134.10501	0.9
135.11679	34.5
137.05962	3.2
137.09601	15.1
146.97473	1.0
146.99626	0.9
147.11679	4.3
149.02344	1.4
149.13251	9.3
150.03113	1.5
150.10326	1.0
151.11182	4.9
151.14864	1.5
161.05991	2.2
175.14806	38.6
178.02577	6.6
193.04938	12.8
193.08614	1.5
193.12231	4.4
193.15868	59.6
194.15488	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03925	3.3
55.01880	4.6
55.05509	27.7
56.96557	1.4
57.03413	1.0
57.07058	3.2
59.05004	1.4
65.03913	2.2
66.04682	1.3
67.05502	50.6
68.05823	1.0
69.03408	2.8
69.07060	5.5
71.05002	1.9
71.06173	1.9
79.05492	14.1
81.03403	2.6
81.07052	27.5
83.04980	11.3
83.08614	1.9
83.38285	0.8
85.06064	1.5
85.06541	24.3
85.69719	0.8
91.05480	10.2
93.07043	13.4
94.04199	1.5
95.04961	7.3
95.08604	42.1
99.08089	55.5
102.62426	0.9
103.05473	14.6
104.05693	0.9
105.07025	83.9
106.07348	2.1
107.04916	1.4
107.08593	15.3
109.06522	8.6
109.10151	100.0
110.10469	1.8
111.08048	4.8
115.05453	15.7
118.04164	10.6
119.04922	1.3
119.08575	16.9
121.10160	7.1
123.08071	5.0
123.11673	3.4
131.04929	5.6
131.08485	1.3
132.05313	3.6
133.06488	67.1
133.10120	24.3
134.06859	2.5
135.08125	1.2
135.11679	15.4
137.06000	2.1
137.09604	85.3
138.09932	2.3
139.11192	1.6
143.04958	1.5
143.06023	4.2
146.03629	5.4
147.04401	2.2
147.08028	1.6
147.11653	4.2
149.06012	2.5
149.13240	1.1
150.10318	2.0
151.03932	1.0
151.11162	7.0
151.14796	4.2
160.08748	1.2
161.05978	60.7
162.06337	3.0
175.11192	3.8
175.14819	10.8
178.02591	2.2
178.06273	8.2
193.04941	9.1
193.08603	15.1
193.12318	7.0
193.15872	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03941	0.6
54.31334	0.3
55.01862	1.0
55.05507	8.6
56.96565	0.7
57.03436	0.8
57.07071	1.4
57.19716	0.3
58.98462	0.3
60.04947	0.2
63.76426	0.3
65.03921	0.7
66.04717	0.3
67.01859	3.1
67.05499	11.9
68.99793	1.8
69.03427	0.9
69.07056	3.0
71.04990	0.9
71.59196	0.4
71.59563	0.3
77.03905	0.4
79.05488	4.9
81.03400	1.5
81.07053	7.6
83.04973	3.1
83.08633	0.5
85.02905	2.3
85.06539	4.8
91.05474	17.0
93.07044	5.8
95.04951	3.5
95.08597	8.6
97.06525	0.5
98.97580	0.4
99.04406	0.3
99.08085	15.0
103.05442	1.5
105.03428	0.5
105.07023	28.2
106.07345	0.6
107.04960	0.9
107.06037	0.3
107.08588	5.5
109.02897	0.6
109.06507	3.8
109.07661	0.4
109.10148	16.4
111.08086	1.9
115.05441	1.3
117.07011	0.9
118.04166	1.1
119.04896	0.9
119.08575	9.1
120.08923	0.4
121.06471	0.6
121.10149	2.4
122.03675	0.4
123.04429	0.7
123.08078	1.6
123.11729	1.5
125.05968	2.2
127.03931	0.8
129.06999	0.7
131.08557	4.2
132.05655	0.3
133.02852	1.3
133.06494	6.4
133.10121	65.6
134.10460	1.6
135.08029	0.9
135.11673	4.0
137.05975	2.4
137.09604	14.3
139.11078	0.4
142.07732	0.4
143.06030	0.5
145.10120	0.7
146.97375	0.4
147.04390	2.6
147.08020	0.7
147.11674	10.9
149.05814	0.4
149.09628	0.8
149.13278	0.9
150.03116	0.6
150.10391	0.5
151.03883	1.3
151.07541	0.8
151.11185	3.9
151.14809	1.1
153.01830	2.9
157.10118	1.0
161.05977	5.1
163.03853	0.3
165.05457	0.7
165.09125	0.7
165.12743	0.7
169.04938	1.9
175.03955	0.4
175.07565	0.9
175.11191	3.9
175.14781	3.1
178.02632	2.2
178.06187	0.7
193.04953	100.0
193.12215	8.5
193.15872	14.2
194.05296	4.0
194.08025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.10442	2.3
53.03938	7.3
55.01871	5.6
55.05497	14.7
56.96559	11.3
57.03144	3.5
57.03430	68.4
57.07066	8.1
58.77158	2.4
62.78302	3.0
65.03957	3.8
67.05499	29.0
67.28592	2.2
67.87881	2.4
69.03423	5.5
69.07069	8.4
70.84883	7.0
71.05008	2.7
79.05489	25.8
81.03412	31.3
81.07047	22.2
83.04962	13.3
83.08615	3.7
85.06540	6.4
85.22139	2.4
91.05475	61.4
91.25081	2.0
93.07036	52.8
95.04962	29.2
95.08582	23.7
97.06517	7.8
99.08063	5.0
103.05472	11.9
105.07021	100.0
107.04932	6.4
107.08590	15.8
108.26816	2.6
109.02874	2.6
109.06503	15.2
109.10152	22.1
111.08076	4.0
115.05448	11.4
117.07018	8.0
118.04160	4.1
119.04935	10.2
119.08570	90.5
120.05220	12.1
121.06491	49.0
121.10154	4.3
122.03689	3.3
123.04447	6.3
123.08090	4.9
123.11654	2.9
129.07027	7.0
131.08589	9.8
133.02872	16.9
133.06488	44.4
133.10118	54.4
135.08051	10.0
135.11700	6.8
137.05981	15.6
137.09608	41.5
137.13264	3.3
142.07724	5.3
143.05991	3.5
145.06470	4.4
145.10068	4.4
146.07260	6.4
146.97453	11.0
146.99695	6.1
147.04414	3.1
147.08012	14.4
147.11667	47.7
149.02365	6.0
149.09634	5.1
149.13266	3.9
150.03133	10.1
151.07571	4.5
157.10127	8.3
160.08868	8.2
161.05956	37.2
165.12776	4.7
169.99017	6.1
175.03932	4.2
175.11156	48.6
175.14796	4.4
178.02600	34.0
193.04933	64.8
193.08582	22.3
193.10310	3.9
193.12251	46.6
193.14149	9.8
193.15915	7.7
194.05309	2.5
194.15414	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	193.1223
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03930	4.5
55.01865	1.5
55.05511	7.2
57.03436	14.2
57.07071	1.6
58.44193	1.0
59.04998	1.4
65.03930	2.0
67.05506	9.5
69.03426	6.5
69.07058	3.1
70.37138	2.2
70.37527	2.1
71.04989	6.2
79.05492	10.4
81.07054	46.6
83.04975	18.0
83.08582	1.3
85.02895	3.4
85.06533	2.7
91.05482	13.1
93.07024	7.1
94.04128	1.1
95.04967	8.3
95.08598	8.3
97.06487	1.5
103.05466	1.7
105.06379	1.6
105.07027	23.7
107.08590	17.0
109.06514	89.7
109.10146	8.1
110.07307	4.2
111.08069	3.3
115.05422	1.7
117.06974	1.9
119.04918	1.4
119.08576	58.3
120.08887	1.3
121.06487	7.6
121.10123	2.6
122.07306	1.8
123.08080	15.3
123.11730	5.2
131.08536	2.6
133.06552	4.9
133.10132	23.9
135.08051	24.4
137.05969	14.6
137.08641	1.5
137.09613	15.3
142.07727	5.0
145.06490	8.1
145.10147	1.7
146.07259	4.7
147.08055	5.9
147.11676	28.3
149.09621	2.0
151.07599	1.7
151.11172	35.8
157.10091	6.0
159.08005	2.1
160.08833	29.0
161.05374	7.9
165.12805	5.9
166.71477	1.1
175.11177	100.0
193.04955	3.2
193.12236	100.0
194.12463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03943	0.3
55.01878	0.5
55.05502	2.3
55.75080	0.2
56.95498	0.2
57.03436	0.3
57.07071	0.5
65.03924	0.3
67.01859	3.2
67.05499	2.3
68.99791	1.2
69.03420	0.3
69.07053	1.2
69.96240	0.8
71.04986	0.4
77.03931	0.3
79.05486	3.0
81.03412	1.0
81.07034	2.1
83.04967	1.0
83.08598	0.2
85.02899	1.6
85.06542	0.7
90.47964	0.2
91.05471	10.1
93.07041	2.4
95.04973	1.6
95.08591	1.8
98.71018	0.2
99.08084	2.8
103.05462	1.6
105.03413	0.2
105.07019	18.9
107.04949	0.5
107.08564	1.6
109.02871	0.5
109.06500	1.3
109.10143	3.3
111.08077	0.2
115.05431	1.5
117.07001	0.5
118.04138	0.6
119.04918	0.8
119.08569	4.3
121.10146	0.7
123.04449	0.5
123.08048	0.5
123.11674	0.3
124.05124	0.3
125.05958	1.7
127.03888	0.9
129.07034	0.3
131.04942	0.4
131.08556	3.0
133.02829	0.4
133.06485	6.3
133.10115	38.3
134.44034	0.2
135.11671	1.0
137.05988	1.4
137.09599	2.3
143.06026	0.5
146.03604	0.5
147.04395	2.0
147.08061	0.2
147.11670	7.3
149.05881	0.3
149.09654	0.4
149.13220	0.3
150.02988	0.2
150.18040	0.2
151.03871	1.1
151.07494	0.8
151.11177	1.7
153.01811	2.7
157.10071	0.2
161.05963	5.2
161.55609	0.2
162.06537	0.2
165.05499	0.5
165.09090	0.3
165.12785	0.3
169.03687	0.2
169.04939	1.3
175.03894	0.5
175.07491	0.4
175.11166	2.6
175.14793	0.5
178.02623	1.0
178.06204	0.8
187.48593	0.2
193.04944	100.0
193.08479	2.4
193.12210	5.5
193.15845	3.5
193.17427	0.4
194.05275	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	192.0766
Annotation	Carbendazim
Peak:m/z	Relative Intensity
53.84407	0.2
59.30192	0.2
61.14198	0.2
61.29441	0.2
61.97024	0.2
65.03919	0.2
69.47276	0.2
69.58062	1.2
69.58472	0.3
86.58059	0.2
89.50164	0.2
92.05000	0.4
98.20792	0.2
105.04503	0.2
105.07059	0.2
114.83730	0.2
122.06007	0.7
132.05571	2.7
133.02875	0.2
133.06349	0.5
135.05495	0.5
150.05487	0.4
150.96863	0.2
160.05055	100.0
161.05383	1.0
185.66580	0.2
192.07680	18.8
193.04985	0.4
193.07976	0.4
193.12411	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14962	0.1
51.02399	0.3
51.72076	0.1
53.03936	0.3
53.46617	0.1
55.05511	0.5
56.96547	0.2
58.94341	0.1
64.83797	0.1
65.95412	0.1
67.05503	0.3
69.03426	0.2
69.07076	0.2
70.07360	0.2
71.59880	0.2
77.03925	0.4
79.05493	0.6
81.07044	0.3
83.04948	0.2
83.08604	0.2
91.05480	0.7
93.07050	0.3
94.07407	0.3
95.04964	0.7
95.08603	0.3
98.97587	0.4
102.04684	0.3
103.05460	31.7
104.05770	0.6
105.04523	0.2
105.07024	1.4
106.07372	0.3
107.04924	0.3
107.08595	0.4
108.08922	0.4
109.06503	0.2
110.07123	0.2
115.05450	0.4
116.98608	0.3
118.39824	0.2
119.05030	0.2
119.08563	0.3
120.08898	0.2
121.06464	0.3
121.10123	0.2
122.10468	0.4
130.06491	0.2
131.04918	100.0
132.05234	2.3
132.08908	0.4
133.02869	0.2
133.06473	1.2
133.10117	0.4
134.10481	0.4
134.99701	0.2
146.05952	0.2
146.10429	0.4
147.11803	0.2
148.12030	0.4
149.02339	0.2
150.03191	0.2
150.96907	0.3
158.99625	0.3
160.05040	0.4
161.06010	1.0
174.09175	0.6
174.13564	0.4
175.07544	1.7
175.14583	0.2
177.00729	0.2
178.02635	0.4
192.06461	0.3
192.10126	1.1
192.12260	0.2
192.14755	1.4
192.17493	0.6
193.04971	1.6
193.08591	0.7
193.12215	0.2
197.42412	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.5
55.01859	1.8
55.05502	5.3
56.96549	2.5
57.03416	1.3
57.07055	2.1
59.04971	1.1
65.03928	0.9
67.05507	10.8
69.03428	7.1
69.07066	11.0
70.89853	1.7
71.04987	13.9
79.05491	11.0
80.97913	1.0
81.07053	12.3
83.04976	2.8
83.08603	2.5
85.06544	8.5
91.05471	20.0
93.06458	1.7
93.07034	21.8
95.04969	8.7
95.08604	15.3
97.06522	14.0
103.05457	10.6
105.03400	1.1
105.07028	28.5
107.04926	4.3
107.08588	38.1
109.06504	11.9
109.10145	9.4
111.08086	5.8
115.05453	2.6
117.07008	4.5
118.04150	2.4
119.04950	1.3
119.08572	13.2
121.06488	4.0
121.10134	39.7
123.08047	5.4
128.06197	1.0
129.06979	2.7
130.04173	1.6
130.07700	2.0
131.04938	6.2
131.08560	23.6
133.02916	1.9
133.06471	1.8
133.10123	29.1
135.04387	1.5
135.08041	24.7
135.11670	6.0
143.08519	5.3
144.09305	1.3
145.06470	2.4
145.10114	12.6
145.11162	1.5
146.03603	1.0
147.08020	1.2
147.11668	18.1
148.05208	4.9
149.01151	1.1
149.09612	6.9
149.12112	0.7
149.13248	19.8
158.10883	8.6
159.47191	0.9
161.09608	2.3
163.03912	1.4
163.07501	7.7
163.11147	2.0
163.14816	1.7
173.05916	1.2
173.09648	1.1
173.13249	30.1
176.04642	2.1
176.12018	1.3
178.48311	0.9
187.31488	1.0
191.03352	3.9
191.06972	10.0
191.10680	4.7
191.14293	100.0
191.17905	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03938	1.5
55.01862	2.4
55.05512	11.1
56.48754	1.4
57.03436	2.1
57.07044	1.8
64.31631	1.4
67.05489	9.4
69.03424	13.8
69.07066	14.4
69.71511	1.4
69.72212	6.4
71.04980	4.4
75.63605	1.5
79.05489	17.2
80.75172	1.5
81.07055	30.6
83.04987	13.1
83.08603	4.0
85.06534	4.3
91.05484	23.6
93.07047	38.8
95.04964	8.2
95.08604	34.4
97.06532	12.2
100.84452	1.5
103.05465	3.2
105.07031	35.9
107.04960	21.9
107.08593	84.3
109.06525	24.6
109.10152	7.7
111.08071	6.9
115.05449	1.8
116.06221	1.7
117.07014	5.1
119.08578	20.3
121.06506	50.0
121.07367	2.6
121.10141	63.5
123.08053	23.3
123.11668	1.7
129.07018	3.3
131.08574	42.5
133.10130	40.1
135.08055	31.7
135.11673	10.6
137.09573	1.6
143.08566	5.3
144.09344	2.2
145.10088	15.2
147.11688	22.0
149.09618	36.8
149.13245	19.8
158.10893	9.2
163.11191	7.0
163.14842	18.4
173.13263	56.0
191.14304	100.0
192.14679	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03946	1.6
55.01848	2.1
55.05505	6.3
56.96557	1.7
57.03418	1.2
57.07062	2.5
59.04977	1.2
63.17530	0.7
65.03932	1.4
67.05501	26.8
69.03441	5.1
69.06780	0.7
69.07073	9.7
69.52869	1.9
69.53282	4.3
71.04991	22.4
79.05054	1.2
79.05489	16.3
81.07057	16.0
83.04961	3.2
83.08605	3.9
85.06536	9.5
91.05472	21.8
93.07037	18.4
95.04964	14.0
95.08602	17.5
97.06528	7.1
102.04702	1.1
102.65712	0.9
103.05466	10.0
105.03358	1.2
105.07026	34.1
106.04228	0.8
107.04949	4.8
107.08589	52.5
109.06513	31.5
109.10149	94.1
110.06833	1.0
110.10439	1.3
111.08038	2.2
115.05441	2.9
116.06229	2.1
117.07004	9.3
118.04122	2.3
119.04958	1.9
119.05989	1.1
119.07799	0.8
119.08582	13.7
121.06496	8.0
121.10136	43.9
123.08057	16.8
123.11629	1.2
129.07014	4.2
130.04118	0.9
130.07790	1.8
131.04900	6.0
131.08563	48.3
132.08907	1.0
133.02832	1.6
133.06474	3.0
133.07483	1.0
133.10124	32.8
135.04414	1.5
135.08046	83.3
135.11662	7.2
136.08650	0.8
137.09608	1.3
143.08549	6.1
144.09314	2.9
145.06458	2.6
145.10117	14.9
147.08043	2.4
147.11668	14.7
148.04161	0.9
148.05174	5.1
148.08789	2.9
149.02284	1.1
149.05962	1.4
149.09612	14.1
149.13243	11.6
150.10370	3.2
155.04922	1.6
157.10042	0.8
158.10930	10.2
161.09607	3.5
162.10384	1.2
163.03883	2.1
163.07526	6.8
163.11140	3.4
163.14813	3.9
171.11639	2.0
173.06023	5.5
173.09622	1.2
173.13255	48.3
176.04695	3.0
176.11951	2.9
191.03275	3.6
191.07025	9.4
191.10730	6.2
191.14297	100.0
191.17853	2.1
192.14717	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.7
54.74171	1.4
55.01868	1.9
55.05499	9.5
57.03404	2.4
57.07047	3.3
65.03925	2.1
66.70654	1.3
67.05487	7.3
69.03417	12.1
69.07061	15.0
71.04964	4.3
71.44087	2.2
79.05482	15.5
81.07053	26.0
83.04973	11.7
83.08596	5.2
85.06527	5.2
91.05469	22.5
93.07039	34.6
95.04942	7.3
95.08599	30.8
97.06525	12.7
103.05453	4.7
105.07020	35.5
107.04941	17.7
107.08585	71.5
109.06494	19.6
109.10122	7.6
111.08070	7.8
117.07005	6.6
117.17952	1.4
118.04140	2.0
119.07788	1.6
119.08570	16.9
121.06492	51.6
121.10130	58.6
123.08053	22.1
129.06985	3.9
131.04950	1.5
131.08557	37.5
133.09126	1.3
133.10120	31.0
135.07098	2.6
135.08046	33.6
135.11661	9.7
137.09560	1.7
143.08559	5.7
144.09315	3.9
145.10106	18.9
147.11682	23.8
148.08784	2.2
149.09604	25.4
149.13248	20.1
158.10930	9.8
161.76538	1.2
163.11131	7.4
163.14807	21.0
171.11650	1.3
173.11732	2.7
173.13248	53.4
174.50800	1.5
191.14293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03947	1.5
53.47578	0.5
55.01865	0.7
55.05503	5.3
57.03430	1.4
57.07074	2.6
57.93586	0.7
65.03938	0.8
67.05501	6.9
69.03426	16.0
69.03804	0.8
69.07061	8.5
69.44474	4.8
71.04967	0.7
78.91126	0.6
79.05492	13.0
79.05956	0.8
81.07051	11.5
83.04980	6.1
83.08604	1.9
85.06525	2.1
91.05476	11.6
93.07043	11.5
95.04979	2.7
95.08596	8.2
97.06538	1.4
103.05470	1.8
104.15344	0.6
105.07030	17.2
106.83527	0.5
107.04951	5.4
107.08588	32.3
109.06522	3.3
109.10141	12.3
111.08060	0.9
115.05446	1.4
117.07024	1.6
118.07782	1.1
119.08567	8.7
121.06517	4.8
121.10133	22.4
122.07265	2.2
123.08083	2.6
129.07053	1.3
131.04901	1.6
131.08553	13.7
133.02847	0.6
133.10121	100.0
134.10480	0.8
135.01720	0.6
135.08032	8.6
135.11679	5.8
137.08545	0.6
137.09598	11.8
143.08528	3.8
144.09279	1.3
145.10100	7.8
147.08029	0.8
147.11684	7.4
148.05145	1.3
149.09599	4.5
149.13261	15.3
158.10896	7.5
161.09604	1.8
163.03816	0.6
163.07523	1.1
163.11186	1.0
163.14822	4.7
173.09453	0.6
173.13255	23.8
176.11882	0.9
191.03307	0.6
191.06989	1.5
191.10646	2.1
191.14296	43.3
191.17947	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.7
55.01854	2.9
55.05510	8.9
56.96555	3.4
57.07054	2.8
59.47558	1.1
65.03941	1.8
67.05501	8.8
69.03430	9.9
69.07061	13.4
71.04989	9.3
71.59969	1.8
71.60397	1.4
72.45715	1.1
75.21413	1.3
77.03915	1.3
79.05483	16.3
81.03392	1.4
81.07059	15.4
83.04966	5.1
83.08603	2.8
85.06539	6.3
91.05473	25.1
91.96999	1.2
93.07037	27.2
95.04964	9.1
95.08599	23.0
97.06533	13.5
97.10170	1.5
102.04693	2.1
103.05457	13.3
105.03420	2.1
105.07024	30.3
107.04964	4.5
107.08588	45.8
109.06507	10.0
109.10141	13.3
111.08068	3.3
115.05439	7.1
117.06999	11.9
118.04144	3.1
119.06031	1.4
119.08575	18.1
121.06493	6.0
121.10132	36.3
122.07169	1.2
123.08048	4.3
125.02349	1.2
129.07007	3.3
130.04201	1.4
131.04916	8.8
131.08539	24.2
132.05696	5.1
133.02869	1.9
133.06494	1.4
133.10123	26.8
135.04372	1.7
135.08054	21.6
135.11655	10.3
143.08588	5.8
145.06497	3.7
145.10098	14.0
147.08005	2.5
147.11674	20.6
148.05151	7.4
148.08772	1.9
149.05975	2.8
149.09589	8.4
149.13261	16.4
150.10214	1.4
158.10901	8.5
163.07538	12.6
163.11163	4.5
163.14792	6.0
173.05965	3.0
173.09601	4.8
173.13260	29.5
176.04582	3.0
176.11949	2.0
191.03355	3.7
191.07016	47.2
191.08760	2.3
191.10672	9.3
191.14299	100.0
191.17911	7.4
192.14658	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	191.0701
Annotation	7-Ethoxycoumarin
Peak:m/z	Relative Intensity
50.95620	0.4
53.03940	0.7
55.01865	0.7
55.05511	1.0
56.96566	4.0
57.03448	0.6
65.03946	1.1
67.05508	0.9
69.03417	1.3
69.07068	1.3
69.28325	1.2
69.28744	3.1
71.04957	0.5
79.05486	3.0
79.44909	0.4
80.82385	0.4
81.03431	0.7
81.07059	1.4
83.04964	0.4
83.08633	0.7
85.02903	1.2
85.06534	0.6
89.03924	0.9
90.94809	0.7
91.05476	14.1
93.03365	0.5
93.07011	2.4
94.06591	0.6
95.04969	1.5
95.08611	1.6
97.02865	0.7
98.97565	1.2
103.05470	4.9
105.07023	3.8
107.04948	2.7
107.08601	4.3
109.02893	0.7
109.06519	1.2
109.07675	1.1
109.10175	1.3
115.05471	1.4
116.98602	1.3
117.06981	3.2
118.04179	1.7
119.04940	31.5
119.08585	2.2
120.08099	0.6
121.02876	0.6
121.06495	1.7
121.07661	0.5
121.10127	2.7
123.04471	0.5
123.08080	0.5
127.03908	0.5
128.98586	0.8
129.07007	0.8
130.04118	0.5
131.04930	4.9
131.08565	6.2
133.02850	0.8
133.06424	1.1
133.10133	4.6
134.99626	1.0
135.04391	1.9
135.08076	3.5
135.11708	0.9
137.05905	0.4
138.68288	0.4
143.08508	0.6
145.06505	2.7
145.10112	2.7
146.99678	1.1
147.04401	100.0
147.11674	1.2
148.05220	2.2
148.08742	0.5
149.01213	0.7
149.05972	1.8
149.09607	1.8
149.13309	1.2
149.96075	0.6
150.96902	2.2
155.04953	0.6
158.10924	0.8
161.01224	0.6
161.05910	0.4
163.03908	4.0
163.07538	5.1
163.11176	1.3
163.14786	0.6
167.97212	1.0
173.05978	3.1
173.09547	0.9
173.13268	3.3
176.04684	1.5
177.00699	0.5
184.00349	0.5
191.03523	2.1
191.07018	88.9
191.14284	7.7
192.07465	1.2
205.82732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1065
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
51.82379	0.7
53.03948	1.5
55.01879	3.8
55.05505	1.6
56.96569	0.9
57.03429	1.5
65.03947	1.1
67.05503	9.0
69.03407	1.4
69.82271	4.1
70.93433	0.8
71.04993	1.7
79.05489	22.4
81.03408	1.6
81.07066	3.7
83.04985	3.3
91.05475	31.2
93.07035	10.6
95.04974	6.1
95.08608	2.1
95.84733	0.7
96.05737	1.2
97.06535	1.3
103.05469	4.3
105.07026	18.7
107.04950	11.3
107.08592	11.5
108.05740	1.0
109.06509	3.0
114.02365	0.8
115.05447	4.4
116.06248	4.2
117.07004	17.3
119.04966	0.8
119.08576	15.0
121.06499	9.8
121.10133	5.4
123.08057	1.2
128.06197	1.5
129.06999	11.1
130.07770	6.9
131.04932	4.8
131.08560	100.0
132.08873	1.3
133.06471	1.8
133.10121	2.2
135.04445	4.2
135.08005	3.9
135.11713	1.8
142.30130	0.9
143.08554	2.7
144.05737	1.0
145.06482	7.2
145.10117	48.9
146.10440	1.3
147.08051	12.5
147.11604	1.0
148.05148	1.2
149.06015	3.4
149.09604	21.5
149.10722	1.4
154.07761	0.9
155.08549	5.3
158.07237	1.7
160.05067	0.8
163.06277	1.4
163.07541	18.1
163.11166	8.4
173.09619	29.7
173.13249	0.9
191.07027	3.1
191.10658	67.3
191.14308	3.0
192.11003	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0499
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
51.11123	0.2
56.96560	1.0
58.06591	0.6
68.25024	0.2
69.07059	0.4
70.65347	0.5
72.08187	0.2
85.02856	0.2
87.60211	0.2
89.03902	1.2
97.02892	0.2
98.09708	0.2
98.97610	0.4
107.04941	0.2
110.99249	0.2
112.03962	0.5
116.04980	3.8
116.98623	0.3
121.01453	0.2
126.12787	0.3
128.98553	0.3
134.06009	0.3
135.04385	0.2
144.04446	0.6
144.13815	1.4
162.05493	100.0
162.99088	0.2
163.05888	2.0
185.01186	0.4
190.04979	31.5
191.05336	0.8
203.02338	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
56.96553	1.0
57.07073	24.5
58.07402	0.6
59.99110	4.9
66.61625	0.5
69.03413	0.7
70.48581	0.5
71.60294	0.6
78.00150	38.6
79.05494	0.7
81.07054	1.0
84.08124	0.7
86.09703	9.5
88.02228	0.7
89.55000	0.5
91.05466	1.8
92.01675	1.0
92.26358	0.5
93.07015	1.1
94.07392	0.5
103.05435	1.3
103.21015	0.6
105.07020	1.3
107.04975	0.6
107.08585	1.7
116.05305	0.8
117.07042	0.7
119.08495	0.7
121.06450	0.6
121.10129	1.2
129.06955	0.5
130.06537	2.3
131.04848	0.6
131.08568	0.8
133.02798	0.6
133.10147	1.2
134.06346	45.3
135.07996	0.5
135.11725	0.7
144.08060	1.1
147.06671	0.9
148.07874	3.0
149.02290	1.3
163.07611	1.4
172.07622	0.7
173.08188	0.6
174.23395	0.6
190.06154	1.6
190.12595	100.0
191.06952	1.6
191.08534	1.2
191.10710	1.0
191.12846	1.6
191.14313	1.7
196.97430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0337
Annotation	Ayapin
Peak:m/z	Relative Intensity
51.02365	0.6
53.00301	0.9
53.03940	2.5
55.01871	1.2
56.05046	0.6
56.96556	1.6
57.07063	0.7
60.95854	1.0
65.03931	4.5
67.05492	1.0
68.99789	4.7
69.03413	1.0
69.07056	0.8
69.23709	0.5
71.01341	0.7
71.04967	0.6
71.58875	1.0
72.93768	0.8
77.03903	0.6
79.05490	14.4
81.03413	0.9
81.07052	1.2
83.06112	0.8
85.02901	0.7
85.04037	0.6
89.03903	8.2
90.94815	0.8
91.05479	13.3
92.05789	0.8
93.03406	1.0
93.07025	1.7
94.06579	1.3
95.01325	0.6
95.04967	6.7
95.08605	0.9
97.06547	0.6
103.05444	1.5
104.04961	0.6
105.03377	0.6
105.04546	1.3
105.07002	1.5
106.06502	0.8
107.04947	73.6
107.08592	2.1
108.05280	1.8
109.06506	0.7
109.07664	1.5
109.10133	1.1
111.04443	1.6
111.09224	0.7
115.05509	1.0
117.03374	5.7
117.07017	1.9
118.06559	0.8
119.04940	4.8
119.08533	0.8
120.04472	0.5
121.02858	10.6
121.03761	0.8
121.06513	0.9
121.10150	1.8
123.04461	1.0
125.02354	0.5
131.04924	1.4
131.08531	1.8
131.97458	0.7
132.04489	0.8
132.95782	0.7
133.06421	0.7
133.10110	0.9
135.04410	42.2
135.07964	2.7
135.11644	0.7
136.04749	0.8
136.08727	0.5
137.02345	2.0
145.02870	5.1
145.06470	2.8
145.07523	1.1
145.08505	0.9
145.10162	1.3
146.06003	6.0
146.09596	0.7
147.04408	3.1
147.08070	0.8
148.08672	1.3
149.01154	1.0
149.02336	16.3
149.05997	0.8
149.09601	1.0
150.05540	0.9
150.96863	2.8
163.03894	100.0
163.07558	1.5
163.11127	1.0
164.04285	2.4
167.02086	1.0
167.03400	7.2
167.97160	1.3
173.02330	2.1
173.13228	1.8
174.05476	0.8
191.03380	58.7
191.06824	3.2
191.10626	2.2
191.12897	1.0
191.14334	5.3
192.03691	1.6
207.02876	0.7
209.04263	0.6
213.00783	0.6
213.74034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03929	1.6
55.05516	8.2
55.43371	0.7
56.96552	3.1
57.07071	2.1
58.59881	1.0
58.80921	0.7
63.60822	0.8
65.23094	0.9
67.05499	9.5
69.03425	1.0
69.07065	8.9
69.28866	8.3
71.04998	1.0
79.05495	7.4
81.07056	24.6
82.60301	0.9
83.08622	4.7
84.04501	2.6
85.04830	2.3
86.00622	1.7
87.83039	0.8
91.05479	22.0
93.07038	11.0
95.04971	1.4
95.08604	38.0
103.05446	2.4
105.07027	61.2
106.07355	1.2
107.04952	3.4
107.08595	20.1
109.06518	1.5
109.10150	13.4
115.05422	4.8
117.07011	5.7
119.04955	2.0
119.08579	100.0
120.08898	1.1
121.06476	2.5
121.10141	9.7
123.11687	1.1
128.06233	7.2
129.06998	12.9
131.04929	4.5
131.08577	11.9
133.02866	1.9
133.06480	2.6
133.10129	73.4
134.10451	1.2
141.06969	1.1
142.98643	1.1
143.04900	1.5
143.08534	3.4
144.08087	1.2
144.09270	0.9
145.06490	2.4
145.10117	10.5
146.06258	0.8
146.07257	3.9
146.10941	4.2
147.04395	2.1
147.08020	3.2
147.11682	48.5
148.05096	1.7
149.09586	1.4
156.09308	4.5
157.06479	4.7
158.07248	1.0
159.04422	1.0
159.07986	1.6
159.11694	3.5
160.05165	2.0
160.08862	1.3
160.12463	2.0
161.05972	18.2
161.09616	18.9
161.13255	16.1
171.08076	1.5
171.11685	5.0
174.06760	9.7
174.10298	1.2
174.14012	2.3
189.05511	5.3
189.07352	1.4
189.09096	31.5
189.12749	10.9
189.16374	79.1
190.06235	1.4
190.09232	0.9
190.16693	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05497	1.8
65.03934	0.5
67.05490	1.4
69.03426	7.4
69.07059	1.5
69.21032	0.5
70.72257	1.0
70.72658	1.0
77.29604	0.4
79.05486	2.3
81.07037	1.5
83.04970	0.9
83.67402	0.4
91.05477	8.2
93.07056	2.6
95.04968	1.2
103.05465	1.0
105.07024	16.3
107.04913	0.6
107.08552	2.5
109.06501	1.3
115.05431	1.4
116.06223	0.8
117.07015	4.6
119.04903	1.1
119.08582	24.4
121.06498	2.2
121.10123	1.5
128.06215	4.8
129.06999	5.8
130.07828	3.8
131.04903	2.3
131.08553	6.9
132.05618	0.6
133.06523	3.1
133.10126	9.0
135.08043	2.3
141.06987	9.8
142.07768	1.5
143.08554	6.4
144.09286	2.4
145.06485	2.6
145.09027	1.0
145.10123	15.2
146.07242	2.5
146.10934	1.2
147.08051	9.9
147.09201	0.9
147.11688	13.4
148.05234	0.9
149.09526	0.6
155.08521	2.9
156.09341	47.9
157.06490	1.0
157.09671	1.2
159.08038	10.0
159.09239	0.8
159.11688	11.7
160.05241	0.7
160.08852	3.4
161.05986	6.4
161.09622	9.4
161.13243	8.6
162.10107	0.5
171.11684	59.4
172.12025	1.9
173.09544	0.6
174.06786	1.4
174.10402	15.8
175.10745	0.7
189.09149	10.4
189.12737	100.0
190.13080	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
53.96871	1.8
55.05505	5.3
57.07067	1.9
67.05493	4.2
69.03419	7.8
69.60803	1.8
69.65847	14.0
79.05490	6.1
81.07043	5.1
83.04953	3.2
85.02939	2.1
91.05476	22.1
93.07015	3.5
95.04958	2.9
95.08595	4.3
103.05463	4.1
105.07032	33.1
107.04919	6.0
107.08550	3.4
115.05441	4.7
117.06998	7.6
119.04942	4.0
119.08576	36.5
119.98466	1.7
121.06487	7.4
121.10136	2.8
128.06215	15.7
129.07005	24.7
130.07748	5.5
131.04889	6.5
131.08559	16.4
132.05704	2.2
133.06471	7.5
133.10114	18.4
141.06963	10.1
143.08575	10.4
144.09337	2.6
145.06493	7.4
145.10115	17.0
146.07220	13.9
146.10843	2.7
146.78688	1.9
147.04422	2.3
147.08047	15.8
147.11668	25.6
148.02126	2.8
148.05176	6.6
156.09340	52.0
157.06477	7.0
157.09776	2.0
159.08037	17.8
159.11714	12.3
160.08798	7.6
161.04771	3.2
161.05981	35.9
161.09613	46.6
161.13229	10.6
171.08020	2.5
171.11684	63.8
172.12088	3.3
174.06747	8.1
174.10399	19.1
189.05423	4.3
189.09113	50.2
189.12733	100.0
189.16339	7.7
190.08594	3.2
190.13153	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	189.0394
Annotation	(E)-3-(Methoxycarbonyl)pent-2-enedioate
Peak:m/z	Relative Intensity
55.01871	57.2
56.96563	21.6
57.03436	64.5
59.04991	6.5
61.02928	5.6
61.38633	1.5
65.31841	1.4
67.80360	1.7
68.99784	5.0
69.03413	2.8
70.58729	3.5
70.59097	3.7
71.01353	32.3
71.04984	4.7
73.02549	2.6
73.02921	26.1
74.97595	1.8
75.04481	3.6
82.14697	1.4
83.01335	11.7
84.04488	2.2
84.08137	2.4
84.99265	1.7
85.02888	6.6
87.00809	2.5
87.04465	45.7
88.04727	1.5
89.02406	7.3
91.05455	2.0
94.04198	2.9
95.01321	10.3
95.04961	6.5
101.02377	100.0
103.02439	2.5
103.03938	6.8
107.04954	23.4
108.05260	2.4
111.00807	13.1
113.02357	8.6
115.03923	77.9
119.01875	4.6
119.04962	1.7
119.08601	1.6
119.26531	1.6
121.02353	1.7
127.00292	2.7
127.03908	2.6
128.98576	3.8
129.01855	17.8
130.02859	3.9
131.03410	2.9
137.02863	1.8
138.53558	1.6
139.00249	6.1
143.03452	7.4
144.98080	2.3
146.99644	2.9
147.01430	1.7
157.01323	75.0
162.99130	4.3
164.59752	1.9
165.00700	2.2
171.02914	3.7
175.02425	9.6
178.98689	2.8
188.97113	2.4
189.02461	2.0
189.03996	4.6
206.98152	6.6
207.03514	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	189.091
Annotation	cis-2,3-Dihydro-2,3-dihydroxybiphenyl
Peak:m/z	Relative Intensity
51.09819	0.6
55.01859	1.3
55.05504	2.5
56.57288	0.6
56.96548	1.4
57.98787	0.6
58.93955	0.7
62.94131	0.6
67.05499	3.3
67.92113	0.6
69.03424	2.4
69.07058	2.4
69.39756	0.7
70.73068	1.8
70.73419	0.8
79.05476	3.9
81.07054	7.4
83.89621	0.7
84.04496	2.1
85.02866	1.4
85.04830	3.0
91.05480	20.1
92.68085	0.8
93.07024	4.6
95.04961	2.2
95.08607	10.4
103.05447	2.4
105.03401	0.7
105.07027	20.1
107.04932	3.2
107.08604	5.9
109.10159	3.9
115.05452	3.5
116.06213	2.4
117.07019	2.8
118.04141	1.4
118.07840	0.8
119.04950	4.1
119.07780	1.1
119.08573	13.0
121.06474	6.2
121.10128	2.2
128.06221	16.2
129.06999	39.3
130.07742	2.4
131.04927	10.2
131.08562	10.6
132.05734	1.0
133.06491	5.0
133.10123	14.5
141.06969	1.6
143.08568	4.6
144.05678	1.9
144.09377	0.7
145.06468	6.6
145.10126	2.7
146.03635	1.3
146.07257	13.6
147.04399	1.3
147.08076	4.6
147.11682	8.6
148.05215	6.4
148.08627	0.8
149.09573	1.1
155.06010	1.6
156.05640	1.0
156.09334	6.7
157.05223	1.0
157.06479	16.8
158.07263	5.4
159.04381	2.9
159.08052	3.9
159.11665	0.9
160.05165	2.4
160.08807	1.6
161.05984	45.5
161.09612	46.2
161.13239	4.7
162.10017	1.1
171.08054	2.3
171.11710	6.3
174.06758	40.4
174.10339	3.6
175.01598	0.8
189.05460	2.5
189.09102	100.0
189.12650	16.2
189.16365	17.1
190.09476	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	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02330	0.6
51.43534	0.4
52.59549	0.4
53.03897	0.5
55.01831	0.7
55.05445	2.9
56.39712	0.4
56.96504	0.5
65.03896	0.5
66.09856	0.4
67.05499	2.3
69.03360	6.8
69.03767	1.0
69.06992	1.8
71.49487	0.7
79.05477	3.3
81.03366	0.6
81.06993	2.2
83.04948	0.9
83.08551	0.7
91.05472	12.2
93.07042	3.5
95.04960	2.1
95.08538	0.8
103.05412	1.9
105.03291	0.5
105.07024	20.1
107.04902	1.9
107.08593	4.5
109.06448	1.2
109.07588	0.5
115.05425	3.1
116.06199	1.0
117.06339	0.5
117.07015	5.2
119.04972	2.4
119.08573	30.4
120.08855	0.7
121.06516	3.7
121.10095	1.9
128.06203	7.9
129.06998	11.9
130.07788	3.9
131.04939	3.5
131.08559	11.2
132.05638	0.8
133.06480	4.5
133.09125	0.5
133.10115	11.0
135.08029	2.7
141.06979	7.4
142.07738	0.9
143.08553	8.9
144.05722	1.0
144.09364	2.1
145.06464	4.0
145.10109	12.1
145.11247	0.6
146.07248	3.8
146.10820	1.7
147.04399	0.7
147.08034	14.1
147.11681	17.7
148.05176	2.5
148.08652	0.6
149.09572	1.3
153.06969	0.6
155.08539	2.8
156.09338	53.2
157.06491	2.4
157.09709	1.2
158.07176	0.6
159.08043	12.6
159.11688	12.9
160.05165	1.5
160.08835	4.2
161.04602	0.8
161.05975	17.7
161.09610	21.4
161.13239	11.6
162.09982	1.0
171.11681	57.1
172.12041	1.5
173.09579	0.9
174.06779	4.1
174.10394	21.3
187.11223	0.5
189.05606	1.2
189.09111	24.7
189.12727	100.0
190.09529	1.1
190.13042	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0705
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
55.39484	0.3
70.76212	1.0
71.40036	0.3
71.68996	0.3
73.56386	0.3
84.04491	1.0
90.16640	0.4
91.05473	5.5
92.68347	0.3
100.16859	0.3
115.04678	0.5
115.05444	7.1
116.04972	0.4
116.06206	0.7
117.05785	1.6
117.07014	5.0
118.06537	79.1
119.06860	1.4
132.08083	0.7
142.06514	6.6
143.07306	12.9
144.04401	1.1
144.08083	25.1
145.06459	1.1
146.06001	100.0
147.06320	1.9
155.06042	1.1
160.07582	1.2
170.06010	8.3
188.07053	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	188.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94621	0.4
54.37228	0.4
67.20164	0.4
68.96148	0.4
70.77347	1.2
84.04510	1.5
85.02898	0.4
91.05471	4.7
103.05461	0.5
103.29486	0.3
115.05448	6.6
117.05733	1.3
117.07016	4.5
118.06538	69.6
119.06873	1.5
128.06107	0.4
132.08060	0.6
142.06522	7.1
143.07306	11.8
144.04405	0.6
144.08080	23.4
145.06511	1.2
146.06001	100.0
147.06364	2.1
155.06081	0.9
160.07663	0.7
170.06006	9.3
188.07060	18.4
189.07475	0.4
207.00758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05499	1.0
56.05035	2.7
57.03421	1.0
57.07055	0.3
59.05001	2.9
60.04522	1.4
61.02924	8.8
67.04231	0.3
67.05511	0.4
68.05025	0.4
69.03415	1.1
70.02953	3.0
70.52182	1.2
71.01348	0.4
71.05004	1.6
72.04504	0.4
72.08155	0.4
75.04485	0.9
77.47095	0.3
79.17374	0.3
82.06586	3.5
83.04979	4.8
84.04501	100.0
85.02901	19.8
85.04836	1.0
86.06057	0.9
87.04467	6.8
91.05534	0.3
96.04430	0.4
98.06055	0.6
100.07613	2.2
100.89586	0.3
110.06029	2.9
111.04437	1.7
112.03945	0.7
118.06567	0.4
126.05509	4.7
126.06377	0.4
126.38053	0.3
126.83427	0.3
128.07074	5.6
129.05470	1.1
129.06958	0.3
146.06009	0.6
146.08150	0.9
146.10495	0.4
160.08453	0.3
161.09608	0.4
170.08060	0.5
171.06569	0.5
188.07669	0.5
188.09210	8.0
188.10686	0.5
188.20139	1.4
189.09100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.3
58.34828	0.3
69.73523	2.1
82.99838	0.5
90.98809	0.4
98.20711	0.3
100.02482	0.5
101.00875	13.1
102.00949	0.5
105.73951	0.3
118.03540	0.6
119.01919	100.0
120.01997	4.7
121.02355	0.4
124.02465	1.2
132.69745	0.3
134.26476	0.3
136.04535	0.3
137.02953	45.0
138.03072	2.0
142.03497	22.6
143.03690	1.8
158.06688	0.6
160.04556	9.7
161.02960	7.4
161.04718	2.4
165.05127	0.6
178.05585	0.3
179.03993	14.3
179.05510	0.9
180.04031	0.5
190.61621	0.3
202.05588	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0807
Annotation	3-Methoxy-4-hydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
51.77253	0.4
53.03949	0.4
55.05506	0.6
56.53798	0.4
56.96542	0.7
65.03928	1.7
67.05496	1.4
68.99772	2.1
69.03413	0.8
69.07072	0.5
70.06587	0.8
71.04992	0.7
71.39153	0.5
71.39481	0.6
75.04462	1.6
79.01846	2.6
79.05473	0.7
81.07023	0.6
82.04188	2.5
83.04973	1.5
83.08636	0.4
85.02884	0.6
89.03917	0.5
93.03395	0.7
93.07034	0.4
95.01321	8.4
95.04962	2.7
97.02911	0.4
97.06539	1.3
98.97588	0.8
99.04441	0.9
105.24165	0.4
107.01298	4.3
107.04874	0.4
107.08548	0.5
108.02102	0.5
109.02867	1.3
109.06547	0.4
110.03655	30.8
111.04449	7.8
112.85405	0.4
117.03336	1.0
120.97894	0.8
121.10122	0.5
123.04429	4.1
125.02380	3.4
125.05983	82.1
126.03120	5.9
126.06355	1.4
127.03925	5.8
127.08652	0.4
129.06976	0.7
134.99661	0.6
135.00682	0.5
135.04347	0.5
138.03104	1.3
138.98944	1.0
139.01875	0.9
139.03894	21.5
140.04611	0.8
141.05475	1.0
142.05795	1.0
145.02858	1.7
153.01869	8.9
153.05452	100.0
154.06244	41.6
155.03387	3.0
155.06873	1.8
156.04144	1.6
157.08644	0.5
163.01749	0.5
167.07111	0.7
168.07965	1.0
169.04926	0.6
170.05647	7.2
171.02835	2.0
181.02808	1.3
185.04565	0.9
185.08083	22.4
185.10783	1.4
185.13150	0.5
186.08502	0.7
188.63297	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
55.05505	1.1
56.96554	0.9
57.03413	0.5
57.99300	0.5
59.06103	1.0
61.02908	0.9
67.05487	2.1
69.03429	1.3
70.02915	0.6
71.01338	0.7
71.04976	0.9
71.59894	1.2
79.05475	0.8
79.56390	0.6
81.03400	1.4
81.07043	2.0
82.06573	0.6
83.04971	0.6
83.08597	1.5
84.04502	7.7
84.08924	0.5
85.02895	3.1
88.02195	3.8
91.05476	5.4
93.06995	0.7
95.04968	0.7
95.08534	0.8
97.02903	0.8
99.04409	0.8
103.05482	0.7
105.07029	5.7
115.05411	2.0
116.06216	1.2
117.07003	5.5
119.08566	11.7
128.06181	2.5
128.07048	0.9
129.06137	1.0
129.07002	12.4
130.07751	1.7
131.04916	1.0
131.08557	12.3
141.06987	1.6
142.07779	0.7
143.08537	2.3
144.05724	3.3
144.09329	20.5
145.06490	1.0
145.10120	4.5
146.05946	0.9
147.08003	1.4
154.07722	0.8
157.06462	1.8
157.10091	1.5
159.06952	0.9
159.08092	5.5
159.11679	31.6
169.10103	1.8
171.08037	0.6
172.05159	1.1
172.08810	11.3
173.00818	2.4
177.00655	0.8
187.03874	1.2
187.07629	7.6
187.11163	100.0
188.09189	1.4
188.11530	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	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
53.03937	0.8
55.01862	1.0
56.05025	0.4
56.96566	1.1
58.06619	0.2
59.06106	0.8
60.42954	0.2
63.91845	0.2
65.03931	0.9
67.04936	0.3
67.05507	7.2
68.05025	0.2
69.07047	0.4
70.06582	0.3
71.58826	0.3
79.05473	1.2
81.02354	0.2
81.03418	0.4
81.07054	0.5
83.06098	0.5
85.02919	0.4
91.05482	0.4
93.07030	0.4
95.04971	19.3
95.08588	0.5
97.06509	0.4
97.07681	0.3
97.97563	0.2
98.97588	0.4
98.98446	0.7
99.04438	0.3
99.05579	0.3
105.03393	1.4
105.04495	0.4
105.07008	0.4
107.04975	0.4
109.02932	0.5
109.06471	0.3
109.07640	0.6
111.04465	0.7
112.08684	0.2
116.98627	0.5
119.01896	0.7
119.08572	0.4
122.03689	0.4
122.49863	0.2
123.04427	100.0
123.08049	0.9
124.04749	2.1
124.08704	0.6
125.07093	0.4
125.45581	0.3
133.02847	0.4
134.99648	0.5
137.05971	0.7
137.09602	0.4
138.52809	0.3
140.04688	1.1
140.08194	0.4
142.03456	0.3
151.03903	23.1
152.04230	0.7
155.06995	0.8
155.08212	0.2
155.86943	0.2
160.04536	0.5
164.37381	0.2
165.01877	0.2
166.09756	0.4
169.04999	0.9
183.02829	0.3
183.06517	0.9
183.07990	0.4
183.10158	0.4
183.11594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.065
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02382	0.3
51.69526	0.2
52.81897	0.2
53.03932	1.0
55.01851	0.8
55.05509	0.4
56.05033	0.5
56.96562	1.5
57.03422	0.5
57.07062	0.3
58.42292	0.2
59.06116	1.9
65.03938	1.2
67.05503	7.8
68.05016	0.3
68.50819	0.3
68.99794	0.3
69.03423	0.5
69.07065	0.6
70.06571	0.7
71.04980	0.4
71.59136	0.6
72.38342	0.2
77.03951	0.3
79.05481	1.7
81.03393	0.8
81.07043	1.4
82.06547	0.4
83.04980	0.4
83.06108	0.8
84.08080	0.3
85.02881	0.4
86.08463	0.4
88.27290	0.3
91.05470	1.0
93.07050	2.0
95.01313	0.3
95.04962	22.8
95.08601	1.0
96.05289	0.5
97.02871	0.3
97.06506	0.3
97.07636	0.9
98.06065	0.4
98.97533	0.5
98.98466	1.7
99.04468	0.5
99.05611	0.6
105.03382	1.9
105.04504	0.6
105.07020	0.9
107.04951	1.0
107.08560	0.3
109.02879	1.2
109.06483	0.7
109.07645	0.7
109.10168	0.7
111.04428	1.0
112.08751	0.4
116.98628	0.9
119.01919	0.9
119.08522	0.6
121.10093	0.4
123.04420	100.0
123.08053	0.8
124.04747	1.4
124.08706	1.1
125.07104	1.7
127.03937	0.4
133.02832	0.5
134.99628	0.8
136.04605	0.3
136.08696	0.4
136.99208	0.3
137.05943	0.8
137.07018	0.2
137.09608	0.8
140.04724	1.3
140.08150	0.4
141.05452	0.3
142.03519	0.4
147.08104	0.3
148.08707	0.4
151.03893	20.9
152.04234	0.7
153.01939	0.3
155.03409	0.5
155.04756	0.5
155.07033	0.8
155.08516	0.4
160.04549	1.2
165.01738	0.5
165.05559	0.3
165.06950	0.3
165.09155	0.8
166.09778	0.5
169.04987	0.9
178.05533	0.3
183.02887	0.8
183.04433	0.3
183.06525	0.7
183.07933	0.4
183.10146	0.5
183.12480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1538
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
50.26739	0.8
55.01849	1.1
55.05513	6.1
56.96576	1.1
57.03430	1.9
57.07070	4.4
58.02958	34.1
62.72923	0.8
67.05499	24.5
69.07066	63.8
70.06568	2.9
71.11873	2.0
72.08138	1.0
74.06088	1.2
74.82202	1.0
79.05493	6.8
81.07053	19.3
83.04955	1.5
83.08616	8.4
84.08138	10.1
85.06497	1.0
86.06055	1.5
91.05484	5.2
93.07030	9.8
95.04945	2.2
95.08604	8.9
97.06512	3.9
98.06053	1.8
98.09684	2.3
98.97596	4.5
99.97906	1.8
100.07616	6.0
103.28327	0.9
105.07027	15.5
107.08588	17.0
109.06541	2.4
109.10150	44.0
110.10491	1.9
112.07587	3.1
114.09158	11.8
116.98611	4.8
117.98986	1.5
119.08572	1.5
121.10076	1.9
123.11700	6.6
126.09142	13.7
126.12812	1.8
133.10127	29.0
134.99651	2.6
135.11687	20.5
136.00008	1.6
138.12778	23.7
140.10648	1.1
140.14372	1.4
147.11678	5.0
151.11179	10.6
153.12738	13.5
154.15909	2.3
164.14342	1.8
165.12738	2.5
182.15396	100.0
183.15746	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	182.0811
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03938	0.4
53.63990	0.3
54.03465	0.3
54.57462	0.3
55.01856	0.4
55.05495	0.3
56.05037	0.4
56.96551	0.9
57.72671	0.3
58.06568	0.3
59.06122	0.4
65.03919	0.8
67.05489	0.9
68.05003	0.6
70.06585	0.4
70.38058	1.3
72.04496	0.4
74.02425	1.2
79.05489	1.0
79.64503	0.3
80.05019	0.3
81.03412	0.5
81.07031	0.8
82.06570	0.6
83.04987	0.3
83.06091	0.7
84.04535	0.6
91.05473	29.7
91.58144	0.3
92.04984	0.7
93.05769	0.7
93.07042	0.6
94.04176	0.3
94.06557	1.9
95.04963	6.1
95.06092	0.9
96.04482	0.6
97.02886	0.3
97.07633	0.5
103.05498	0.6
104.04974	0.6
105.03397	0.5
107.04955	3.0
108.04540	0.4
108.05286	1.0
108.08096	1.0
109.06546	2.2
109.07628	0.8
110.06020	1.6
111.04456	0.7
113.05916	0.7
116.98720	0.4
118.06528	2.3
119.04932	33.9
120.05328	0.4
121.02873	0.4
121.05214	1.4
122.06017	6.3
122.06947	0.6
123.00776	0.4
123.04424	12.8
123.05503	0.7
124.07574	0.4
124.08743	0.3
125.07087	0.7
132.04460	0.6
133.02849	0.5
134.99670	0.6
135.04378	0.3
135.56972	0.3
136.07565	100.0
137.02357	0.7
137.06108	1.6
137.06987	0.7
137.07956	2.0
137.60530	0.3
139.03891	0.6
140.08157	1.0
141.06592	0.5
145.30724	0.3
147.04401	5.3
150.05495	6.5
150.06630	0.5
150.08946	0.3
153.05438	0.7
154.08624	0.9
164.04250	1.0
164.07056	3.1
164.08215	0.5
164.63139	0.3
165.01859	0.6
165.05463	7.4
165.08746	0.3
181.04964	1.0
182.04390	0.5
182.05714	1.2
182.08070	7.2
182.11520	0.5
182.12961	0.5
194.93555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02375	0.8
53.03938	5.0
53.54747	0.9
54.03468	1.6
55.01863	2.0
55.05492	4.2
55.41172	0.8
56.96546	3.9
58.02943	3.2
58.06573	1.2
59.06097	1.1
63.29516	1.0
64.90235	0.9
64.91429	0.9
65.03924	5.1
67.05171	1.6
67.05502	21.4
69.07064	5.6
69.86209	3.6
69.86630	2.1
70.02940	1.5
70.06562	1.1
79.05062	1.7
79.05492	31.2
79.74282	0.9
80.05001	3.1
81.03420	1.8
81.06580	2.1
81.07055	42.3
82.06561	2.3
82.07352	1.0
82.67036	1.0
83.06104	1.4
83.08593	3.0
84.08139	1.1
86.02438	5.1
91.05477	6.0
92.05016	1.5
93.05771	8.7
93.07021	1.7
94.06560	2.3
95.04969	26.1
95.08591	1.5
96.04471	1.5
96.08127	2.0
97.05259	2.0
97.06529	8.6
97.07637	1.3
98.06040	3.0
98.07175	1.5
98.09676	3.5
98.97569	4.2
99.97904	1.9
100.03957	1.2
105.03339	1.1
106.06531	1.2
107.07322	3.6
108.04456	1.3
108.08115	62.6
109.06519	8.5
109.07617	1.5
109.08391	1.0
110.06039	5.8
111.04457	1.0
116.98617	7.1
117.98943	2.1
118.06520	3.3
119.01892	1.2
119.04960	1.5
120.04478	1.5
121.05224	3.3
122.06058	6.4
123.04429	17.4
123.05391	1.3
124.05190	1.1
124.08648	1.0
125.05991	32.6
125.06931	2.1
126.05514	34.0
126.09154	22.0
134.06001	1.4
134.99673	7.4
135.99954	2.7
136.07571	100.0
137.05934	2.3
137.07928	1.8
138.05473	2.6
139.03889	1.1
139.09729	1.3
140.04707	6.7
140.07135	1.8
140.08165	7.0
141.05490	2.1
141.06541	1.1
145.03409	1.5
147.04382	2.9
152.03511	0.9
152.07008	1.5
153.00703	1.1
153.05434	1.9
153.07838	2.5
154.01085	1.2
154.08623	33.3
155.07011	3.2
164.04214	3.8
164.07057	83.8
165.07452	1.9
171.55495	1.4
180.56082	4.9
182.00903	1.3
182.08113	83.7
183.06606	1.1
183.08372	2.0
192.99474	1.0
197.74323	1.0
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
50.41644	0.2
53.03944	0.6
53.43770	0.2
55.01865	0.5
56.96567	3.9
57.03431	0.7
58.99865	0.4
61.02921	0.5
65.03948	0.5
67.05495	1.4
69.03439	0.7
69.36068	1.6
69.36494	0.8
70.98112	0.4
73.02916	0.6
74.06111	0.2
74.97642	0.3
78.95275	0.3
79.05486	1.6
80.05019	0.4
81.03423	0.8
81.07048	0.6
84.08167	0.4
84.96007	0.3
85.02905	0.8
87.04480	0.3
88.04012	0.5
88.99185	0.3
91.02444	0.3
91.05476	20.5
92.01273	0.2
93.07032	1.1
94.06555	1.6
95.04964	10.3
97.02893	0.7
98.01283	0.5
98.03204	0.2
98.97581	2.1
100.02496	1.0
103.05468	0.8
104.04990	1.9
105.03394	1.0
107.01771	0.4
107.04924	1.1
108.04469	0.5
108.08117	3.9
109.06500	1.2
111.53648	0.4
115.06161	0.2
116.98634	1.2
118.03528	0.7
118.06529	1.1
119.01891	1.0
119.04937	22.1
120.04436	0.3
120.05239	0.4
121.05246	0.4
121.06481	0.9
122.06023	7.3
123.04423	30.6
124.04745	0.5
124.07542	0.3
126.09099	0.3
126.98842	0.3
128.02359	0.3
128.98581	0.4
131.01915	0.7
132.04442	3.0
134.99648	0.8
136.07570	100.0
137.06010	1.8
137.07909	1.8
142.03487	0.3
144.99821	1.7
146.99635	0.5
147.03250	0.5
147.04399	9.4
149.02971	0.3
149.04698	0.4
150.05499	5.9
154.08585	0.3
158.99608	0.5
160.04599	0.4
163.00835	0.3
164.05684	1.3
164.07062	4.7
165.05470	16.1
168.01479	0.4
170.05247	0.6
177.00696	1.1
177.02405	1.3
177.04344	0.4
177.06456	0.2
179.81090	0.2
182.02771	0.5
182.08121	21.7
183.08595	0.3
193.00117	0.3
195.01686	0.3
195.03416	0.3
200.03963	0.3
201.00635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-azaniumyl-3-(4-hydroxyphenyl)propanoate
Peak:m/z	Relative Intensity
51.02359	1.1
52.54120	0.8
53.03938	4.7
55.01854	1.6
55.05485	2.4
56.05012	2.6
56.80688	0.8
56.96537	3.7
58.02946	0.9
58.06592	1.4
59.06105	1.7
62.67118	0.9
65.03941	4.4
67.05499	10.7
68.01358	1.2
68.05006	2.5
68.99759	3.0
69.03391	1.1
69.07031	1.3
70.06561	2.7
70.76917	2.8
72.04485	1.0
72.08150	1.1
77.03913	1.3
79.05074	1.1
79.05485	10.0
80.05012	7.3
81.03400	4.7
81.04504	2.3
81.07020	1.3
82.06551	1.3
83.04977	1.3
83.06069	2.6
83.08620	0.8
84.04493	1.7
84.08139	1.4
85.02889	1.1
91.04971	1.3
91.05476	17.9
92.04971	2.5
93.03386	1.5
93.05752	1.9
93.07038	9.6
94.02904	3.8
94.06022	1.5
94.06561	21.9
95.01324	2.1
95.04964	29.0
95.06053	5.1
95.08598	1.0
96.04458	2.3
96.06888	0.9
96.08109	2.4
97.02851	1.9
97.07616	3.1
98.06025	2.3
98.07158	1.5
98.97559	2.8
98.98478	1.1
99.04427	1.6
100.03963	10.3
104.04301	1.6
104.04985	22.2
105.03384	9.4
105.04472	2.1
107.04951	11.6
107.06029	1.5
108.04494	1.7
108.05253	3.9
108.08089	2.6
109.02834	2.4
109.06520	5.9
109.07607	3.8
110.06035	4.7
110.07149	1.0
111.04408	2.6
111.05545	1.5
111.09188	1.4
112.03928	1.6
112.07566	1.4
112.55727	1.4
113.05903	5.6
116.98583	2.9
117.98874	1.0
118.03506	1.4
118.06470	1.4
119.01842	1.3
119.04922	9.5
120.04453	2.1
121.02834	1.3
121.05213	2.1
122.06023	54.9
122.07004	2.9
122.10506	0.9
123.00737	3.5
123.04389	13.8
123.05492	3.2
123.08040	1.1
123.09064	1.0
124.03898	1.1
124.07596	2.0
124.08614	1.7
125.07047	2.8
126.05502	9.2
127.05662	1.7
132.03441	1.4
132.04436	28.7
133.02803	2.1
134.99617	3.9
135.06767	2.0
135.56955	11.7
135.99957	2.6
136.04779	1.9
136.07578	40.4
136.08601	1.8
137.02298	2.4
137.05930	10.9
137.07060	2.5
138.05434	2.5
139.03885	1.6
139.08618	1.0
139.09752	1.1
140.04601	1.6
140.07060	1.8
140.08125	3.2
141.01773	1.0
141.06506	1.6
146.03166	1.1
147.04338	2.9
148.03909	1.0
149.00955	0.8
149.04752	5.5
149.05681	1.0
149.09399	0.9
150.05493	100.0
151.05791	2.7
153.05406	2.7
154.04970	0.9
154.08569	4.0
155.06946	1.1
160.04543	1.2
161.65854	0.9
164.04196	3.3
164.07027	16.2
164.08211	1.6
165.01790	3.7
165.05418	5.2
165.08891	1.2
166.98532	1.3
167.03366	2.9
177.00740	1.8
181.04961	6.7
182.00870	2.3
182.04417	2.8
182.05902	4.0
182.08070	31.8
182.11438	1.0
182.12801	2.3
182.19000	1.2
183.02893	2.1
183.08415	1.1
200.71048	0.9
201.00658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1221
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.00265	1.2
53.03939	2.5
55.01856	3.4
55.05496	6.2
56.96559	13.0
57.03434	2.2
57.07073	18.9
58.07421	1.3
59.04993	3.4
65.03928	2.6
67.05495	6.9
68.45229	1.2
69.03422	3.9
69.07053	5.1
71.95262	2.8
78.39915	1.2
79.05489	17.8
81.03410	8.5
81.07052	11.0
83.04980	46.0
83.08611	2.4
91.05483	13.6
93.03419	2.4
93.07034	21.2
95.04964	22.5
95.06055	1.9
95.08569	3.0
97.06525	26.4
98.20700	2.9
98.97579	64.0
100.81981	1.2
103.05473	6.0
105.04520	1.6
105.07018	8.3
106.04140	1.5
107.04935	4.6
107.08593	17.4
109.06505	5.1
109.10135	2.1
111.08092	1.3
116.98615	84.7
117.06995	3.6
119.08579	6.3
121.02852	1.8
121.06500	13.5
121.10131	24.0
122.07214	1.8
123.04470	1.5
123.05497	1.5
123.08049	2.2
125.05986	59.2
126.06390	1.8
127.07564	2.2
130.07756	2.6
134.99651	74.5
135.04433	2.7
135.08061	6.5
135.11664	11.2
136.08714	1.7
137.05981	1.5
139.07516	1.3
140.00220	2.6
140.08189	2.5
145.10109	25.0
149.05954	6.8
151.11224	1.9
153.00696	13.4
153.05415	2.0
158.01236	6.5
163.03896	3.5
163.07596	2.6
163.11172	100.0
164.11583	3.9
166.06255	1.6
181.01317	2.0
181.04900	3.7
181.06305	1.4
181.08694	6.1
181.10852	1.9
181.12227	35.7
181.15761	2.1
202.25673	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	m-Hydroxyphenylpyruvic acid
Peak:m/z	Relative Intensity
51.02372	0.6
53.03947	0.6
55.01845	0.6
55.05497	0.7
56.00271	0.4
56.05013	0.6
56.96291	0.9
56.96562	16.2
59.06104	1.2
63.02375	0.9
65.03927	1.7
67.05515	3.1
67.05806	0.6
68.05010	2.1
68.99790	0.6
69.07050	0.7
69.88200	2.9
70.06583	0.8
71.95248	1.3
74.00246	0.8
74.97595	0.9
78.04699	1.7
79.05492	7.1
79.84794	0.5
80.05015	0.7
81.04530	1.2
81.07026	0.9
83.00797	6.6
83.04958	0.9
83.06088	1.4
85.02917	0.7
89.03912	18.5
91.05479	18.0
92.01294	3.5
92.05807	1.1
93.03420	0.7
93.07020	1.7
94.51588	0.9
95.04955	4.0
95.06069	1.2
95.08599	0.5
96.06999	0.5
97.06536	0.9
97.07648	1.3
98.06026	0.7
98.97578	19.0
99.05573	0.8
103.05460	0.9
104.02033	1.4
105.07025	1.0
107.02599	0.9
107.04950	8.5
107.08569	1.4
109.07652	1.1
110.97548	0.8
111.04497	2.6
111.08015	0.9
113.02560	19.5
113.52708	1.1
114.06605	0.6
115.05418	0.9
116.98619	23.3
117.03371	18.6
119.04988	0.7
121.06508	1.1
121.10108	1.0
122.03078	28.4
122.07148	1.6
122.53251	2.4
123.05552	0.7
123.09176	0.5
124.08639	0.7
124.53363	3.4
124.95496	0.6
125.06003	0.9
125.07101	0.7
128.98596	1.7
130.02805	1.0
131.03581	4.2
133.06494	1.1
133.53865	2.9
134.01295	0.5
134.99655	20.9
135.02130	2.6
135.04410	42.4
135.08064	1.3
135.52258	0.4
136.04749	0.9
136.08739	1.2
137.06000	2.8
139.03914	2.5
139.07524	0.5
139.09801	0.6
140.00169	1.1
140.08191	1.6
142.96521	1.1
144.02570	2.3
145.02843	25.9
146.99643	1.3
148.97643	0.5
153.00700	6.0
153.05466	1.0
153.09091	0.9
158.01225	1.3
160.97557	1.8
163.03899	100.0
163.11220	0.9
164.04230	2.7
164.08167	1.1
167.02800	0.8
169.00200	0.7
177.02245	1.3
178.98660	3.8
181.05009	3.8
181.06435	0.6
181.08562	1.4
181.10800	3.3
181.12178	1.0
182.08157	0.5
195.03325	1.1
196.99669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0494
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03947	1.0
55.01863	0.5
55.05508	0.9
56.05025	0.7
56.96563	8.1
57.07080	0.4
58.02974	0.3
59.06120	1.1
60.04525	0.4
61.02938	0.3
63.02361	0.4
65.03941	1.6
66.40489	0.3
67.02992	0.5
67.05497	2.2
68.05025	1.3
69.03423	0.6
69.07043	0.5
69.48488	1.9
70.06598	0.5
71.01354	0.3
71.05005	0.6
71.95258	1.0
72.04497	0.4
74.06098	0.6
79.05488	5.4
80.05012	0.5
81.03421	0.7
81.04539	0.9
81.07058	0.8
81.75240	0.3
82.04194	0.4
82.06587	0.7
83.00772	0.9
83.04976	0.8
83.06113	2.2
83.08625	0.6
84.04498	0.6
84.06865	0.4
85.02907	0.6
85.07656	0.5
89.03915	17.6
90.04237	0.3
91.05479	5.5
92.01321	0.4
93.03426	0.7
93.04527	0.4
93.07012	1.5
95.04974	3.3
95.06068	1.4
95.08614	0.7
96.06877	0.6
96.08076	0.3
97.02900	0.9
97.06545	0.7
97.07635	1.5
98.07165	0.8
98.97578	20.0
99.05548	0.8
99.09167	0.4
103.05477	0.7
105.04480	0.4
105.07030	0.7
107.04948	7.4
107.06062	0.4
107.08602	0.9
109.06514	0.6
109.07627	1.0
110.03633	0.3
110.07188	0.5
110.97536	0.3
111.04450	2.4
111.05582	0.3
111.08047	0.6
113.02551	2.2
113.07108	0.3
114.06613	0.3
116.98615	28.2
117.03371	19.3
117.06984	0.3
118.03686	0.4
119.04916	1.0
121.02862	0.4
121.06477	1.3
121.10139	1.0
122.03068	5.2
122.06050	0.3
122.07153	1.6
122.53214	0.3
123.04429	0.6
123.05544	0.8
123.07987	0.6
123.09178	0.4
124.08704	0.8
125.05968	1.2
125.07095	0.6
128.02327	0.4
133.06491	0.4
133.53868	0.8
134.04608	1.0
134.99652	37.8
135.04408	41.5
135.07950	1.5
135.11644	0.6
135.99944	0.3
136.04749	1.2
136.07664	0.4
136.08694	1.0
137.05977	2.0
137.06998	0.5
138.06680	0.7
139.03900	2.3
139.07483	0.4
139.09772	0.5
140.00194	0.9
140.08150	1.5
142.96576	0.3
144.02510	0.4
145.02840	24.2
145.10027	0.4
146.99562	0.5
148.05147	0.5
149.05957	0.8
153.00700	10.5
153.01903	0.6
153.05493	1.0
153.09106	0.5
154.09702	0.5
158.01233	3.2
162.40938	0.3
163.03896	100.0
163.11197	0.8
164.04268	2.6
164.08153	0.8
166.98557	0.3
176.02203	0.4
177.00743	0.7
178.98528	0.5
181.01337	0.5
181.04962	3.2
181.06413	0.4
181.07155	0.5
181.08441	1.4
181.10831	3.0
181.12251	1.1
182.04948	2.9
186.05553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1019
Annotation	(2S,3S)-3-Methylphenylalanine
Peak:m/z	Relative Intensity
56.05028	0.4
56.96556	1.7
59.06102	0.3
65.03950	0.4
67.05478	0.2
68.05016	0.4
69.03400	0.3
70.00513	0.4
70.00922	0.7
79.05480	1.5
80.04999	0.2
82.95188	0.2
83.06088	0.4
85.07645	0.2
88.03976	0.8
89.03935	0.2
91.05478	1.1
91.19436	0.2
93.07040	1.3
95.04949	0.5
95.06108	0.4
97.07647	0.3
98.97573	2.4
103.05463	3.1
105.07030	3.2
107.04947	2.5
107.06059	0.2
109.07635	0.3
111.04472	0.3
116.98618	2.8
117.03344	0.2
117.06963	0.3
118.06544	0.6
119.07319	11.0
122.07205	0.2
125.07054	0.2
131.04924	2.2
134.09647	100.0
134.99664	2.8
135.04411	0.6
135.09215	0.2
135.10011	2.7
137.05960	0.3
137.08214	0.2
138.06676	0.2
148.03882	0.3
149.05951	0.4
152.07103	0.2
153.00725	0.5
162.05438	0.2
162.09174	0.2
163.03848	1.0
180.06589	0.6
180.10165	5.9
181.01241	0.2
181.10770	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49585	0.2
55.05533	0.2
56.05035	0.4
56.96566	1.0
59.06124	0.2
65.03943	0.4
67.05504	0.2
68.05022	0.4
69.03429	0.4
71.01340	0.2
71.16243	0.2
71.16559	0.2
72.04541	0.3
79.05489	1.6
79.38809	0.2
80.05022	0.3
81.04519	0.3
81.72549	0.2
83.05009	0.2
83.06091	0.5
83.47964	0.2
84.08142	0.2
85.02910	0.2
88.03998	1.0
89.03931	0.3
91.05444	0.9
93.07048	1.0
94.06548	0.2
95.04975	0.4
95.06107	0.4
95.08589	0.2
96.04490	0.2
97.02879	0.3
97.07632	0.2
98.07211	0.2
98.97578	1.7
99.15628	0.2
100.08807	0.2
103.05473	3.3
105.07032	3.2
106.06537	0.4
107.04945	3.3
107.08588	0.4
108.04472	0.2
109.07625	0.4
110.07187	0.2
111.04430	0.3
111.05596	0.3
111.08002	0.2
112.55737	0.2
116.98610	2.6
117.03354	0.3
117.07020	0.5
118.03525	0.2
118.06566	0.6
119.07318	11.2
120.04456	0.4
120.05449	0.2
120.07701	0.3
121.06532	0.2
122.07131	0.3
124.08665	0.2
126.55508	0.3
131.04938	2.0
132.08104	0.2
133.08873	0.3
134.09644	100.0
134.99655	3.6
135.04414	1.3
135.06755	1.0
135.07936	0.3
135.09993	2.5
136.07521	0.2
138.06638	0.2
145.02808	0.3
148.03888	0.5
149.05966	0.4
152.07053	0.5
153.00658	0.7
153.06664	0.2
158.01265	0.2
162.05440	0.2
162.09164	0.3
163.03880	1.8
164.08145	0.2
165.09099	0.2
180.06491	0.6
180.10165	6.2
180.12517	0.3
181.01294	0.3
181.04953	0.3
181.08559	0.3
181.10738	0.7
181.12251	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.3
53.03947	1.2
55.01868	0.6
55.05500	0.6
56.05032	2.0
56.65580	0.3
56.96567	5.5
57.03438	0.5
58.06598	51.6
59.06113	0.3
59.06929	0.5
65.03944	1.5
67.05498	0.8
68.05027	1.2
68.05826	0.3
68.99794	0.9
69.03422	1.1
69.07061	0.4
69.69082	0.3
70.06584	0.4
70.57897	0.8
71.95271	0.4
72.04515	1.3
77.03934	0.8
79.05503	2.0
79.32910	0.4
80.05001	1.1
81.03414	0.8
81.04501	0.4
81.07054	0.9
82.06593	0.5
83.00771	0.7
83.06124	0.7
84.04527	0.5
85.02910	1.3
89.03917	0.7
91.05479	6.6
92.01286	0.5
92.04955	0.4
92.05795	0.4
93.03406	0.8
93.07049	3.2
94.06575	0.4
95.04971	4.2
95.06083	0.9
95.08621	0.6
96.04523	0.3
96.05292	0.6
96.08129	0.4
96.71617	0.3
97.02872	0.7
97.06543	0.8
97.07661	0.9
98.07191	1.0
98.97580	10.9
103.05466	7.7
105.03389	28.5
105.07027	0.6
106.03720	0.8
106.06590	0.6
106.07340	0.3
107.04955	2.6
107.08611	0.5
108.04468	0.6
109.05863	0.3
109.07573	0.6
110.06074	1.5
110.07134	0.4
111.04438	1.7
113.02544	1.9
116.00175	0.3
116.98619	16.1
117.03363	0.4
118.06564	0.6
119.04951	1.3
119.07357	0.4
120.08101	100.0
121.06514	6.0
121.08440	2.2
121.10104	0.7
122.03048	2.6
122.07116	0.7
123.04422	2.1
123.07950	0.4
124.03966	0.6
124.04812	0.4
124.07583	0.6
125.05979	1.2
131.04898	0.8
133.53868	0.4
134.03635	0.5
134.06010	3.2
134.06961	0.5
134.09660	0.6
134.99652	24.9
135.04410	6.7
135.08099	0.7
135.11632	0.4
136.04013	0.4
136.07565	0.5
137.00121	0.4
137.02321	0.8
137.05954	1.5
137.08215	0.5
138.05487	3.4
138.06616	1.1
138.08687	0.3
139.03914	1.5
139.08635	0.3
139.09779	0.8
140.08189	0.5
144.02493	0.4
145.02797	0.4
146.99663	0.6
148.03745	0.3
148.04781	0.4
149.05974	23.5
150.06361	0.7
150.09169	0.7
151.03923	2.4
152.04330	0.7
152.07072	1.2
153.00696	6.7
153.05470	3.5
158.01227	1.9
162.05472	2.3
162.09052	0.5
163.02541	0.4
163.03905	7.2
163.07544	0.9
163.09824	0.5
163.11111	0.5
167.03102	0.4
177.00711	0.5
178.98636	0.5
179.03409	0.7
180.03789	7.1
180.06482	5.8
180.10085	5.8
180.12534	0.7
181.01364	0.7
181.04976	4.4
181.08578	1.1
181.10735	0.8
181.12216	0.7
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
53.03931	3.2
55.01853	6.2
55.05259	2.1
55.05506	29.7
56.96548	4.4
57.03431	15.2
57.07061	6.3
59.05002	3.0
61.64776	1.5
65.03921	3.4
67.05501	62.8
68.05806	1.6
69.03410	5.8
69.07062	39.6
70.84838	2.9
70.85177	1.7
71.04986	12.2
73.81554	1.6
79.05056	2.3
79.05487	30.5
81.03407	5.3
81.07053	63.4
83.04978	10.5
83.08608	4.8
85.06530	2.8
85.10155	2.1
91.05482	22.2
92.91824	1.3
93.07030	30.3
95.04970	21.0
95.08602	100.0
97.02911	1.4
97.06527	3.6
97.72472	1.5
97.99226	1.4
98.29833	1.3
98.81511	1.2
105.02090	1.5
105.07027	29.4
107.08578	26.2
109.06512	21.1
109.10146	45.2
111.08101	7.6
117.06997	1.9
119.04945	1.9
119.08576	27.6
121.10148	9.7
123.04443	2.2
123.08060	34.7
123.11713	3.6
131.08595	1.8
133.10121	13.7
135.08066	1.8
135.11693	8.7
137.09615	22.3
137.67276	1.5
144.16524	1.5
147.04399	3.9
151.11182	3.1
151.14807	10.8
161.05952	2.2
161.13234	18.7
179.03345	7.9
179.06824	1.5
179.14299	58.4
180.14648	1.9
180.45934	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.143
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.00286	1.6
53.03944	3.1
55.01854	2.1
55.05507	18.6
56.96548	3.3
57.03423	5.0
57.07064	5.1
63.91718	1.2
65.03929	3.2
67.05502	93.7
67.29762	1.3
68.97843	1.3
69.03420	4.9
69.07060	12.4
71.04989	6.9
71.39743	2.1
79.05061	1.6
79.05492	20.1
81.03395	4.9
81.07053	63.7
81.16742	1.5
83.04955	4.2
83.08598	3.7
85.06512	2.4
91.05472	14.6
93.07039	28.8
94.35971	1.4
95.04965	20.7
95.08601	100.0
96.08913	1.6
97.06491	3.0
102.21070	1.3
105.07023	17.0
107.04945	2.9
107.08593	12.1
108.05814	1.3
109.06503	14.1
109.10154	51.8
111.08065	1.9
117.07001	1.9
119.04940	2.3
119.08582	17.8
121.10126	5.5
123.08063	19.3
133.10103	9.1
135.11667	5.1
137.09604	19.9
147.04370	3.5
151.14806	11.2
161.13255	10.1
179.03381	4.1
179.10699	3.6
179.12698	3.0
179.14297	55.4
180.14600	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02387	1.3
53.03942	2.5
55.01868	7.0
55.05511	16.8
56.05029	2.2
56.96552	4.5
57.03432	6.2
57.07062	6.8
59.04984	3.9
65.03930	2.7
67.05503	32.2
68.05021	2.8
68.99810	1.6
69.03423	5.6
69.07066	18.8
70.06588	1.4
71.04982	3.7
71.08624	4.6
71.59287	1.7
76.85187	0.9
77.03932	2.9
79.05492	11.5
81.03410	2.9
81.04517	2.1
81.07061	25.5
83.04980	36.0
83.06078	1.2
83.08624	6.4
85.06541	5.8
91.04961	1.9
91.05480	25.3
93.04524	1.1
93.07047	17.6
95.04966	24.6
95.06072	6.8
95.08606	86.0
96.05591	1.5
97.04006	1.6
97.06458	1.8
97.10170	2.3
98.97569	1.4
99.08085	1.2
103.05484	2.2
105.03400	6.4
105.07027	29.0
106.96282	0.9
107.04961	2.4
107.07867	1.7
107.08587	28.7
108.05727	1.2
109.02872	2.2
109.06516	21.3
109.10158	38.4
111.08080	2.4
114.51247	1.0
115.05447	2.8
117.07018	3.5
119.04940	17.3
119.08575	26.4
120.05549	2.3
121.06473	5.0
121.10143	20.9
122.07178	2.0
123.04428	56.1
123.08064	38.3
123.11698	5.7
124.04763	2.5
124.08739	1.1
126.02541	1.4
130.52579	1.5
131.08557	2.2
133.02850	23.3
133.06509	7.4
133.10127	24.1
134.03143	2.2
134.07108	3.2
135.04431	1.9
135.08038	1.4
135.11697	13.7
136.05182	1.7
136.08737	1.2
136.13672	0.9
137.05991	7.4
137.08231	8.3
137.09619	18.9
137.13229	6.5
137.53378	2.1
138.06636	2.3
139.39075	1.0
143.08488	1.5
144.58243	1.0
146.03615	1.2
146.99632	1.6
147.04417	22.1
150.03127	3.5
150.10329	1.2
151.03918	9.0
151.07555	4.2
151.11171	4.2
151.14809	27.6
151.94112	1.2
152.08205	3.0
161.05986	10.0
161.08319	1.6
161.09602	6.2
161.13257	18.5
162.06531	1.4
162.10287	1.1
179.03394	100.0
179.07057	10.6
179.09232	4.0
179.10657	24.6
179.14299	74.0
180.03818	3.1
180.07828	1.2
180.14586	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	4-(1,1-Dimethyl-2-propenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
53.00315	0.5
53.03938	1.2
55.01867	5.5
55.05511	2.7
56.05013	0.5
56.96568	4.3
57.03432	1.4
57.07072	0.8
59.04998	1.5
65.03945	1.7
67.05162	1.0
67.05503	13.2
68.05020	1.2
69.03425	8.1
69.04543	0.5
69.07065	100.0
70.07394	1.5
71.05000	1.3
71.59795	0.8
79.05488	10.3
81.03423	1.6
81.07054	23.1
83.04968	2.9
83.06094	0.6
85.02895	0.7
89.03850	0.7
91.05477	23.6
92.07153	0.6
93.07044	9.6
95.04967	12.3
95.06080	2.2
95.08613	5.1
97.06526	7.7
97.07568	0.7
98.97572	0.6
99.04465	0.6
103.05462	1.4
105.03376	1.1
105.07027	21.6
106.07375	1.0
107.04955	1.0
107.08591	12.3
108.05733	0.6
109.02898	1.7
109.06503	6.8
109.07641	0.8
109.10151	6.0
110.01328	1.1
110.07177	1.4
111.04453	1.3
115.05481	1.1
117.02078	0.8
117.07011	1.0
119.01790	0.6
119.04939	18.6
119.08577	6.4
120.05604	1.1
121.06517	2.7
121.10175	2.2
121.52144	0.7
123.04429	11.4
123.08049	3.4
123.11710	4.7
124.05206	1.6
126.02553	0.8
128.06171	2.5
128.98576	0.7
130.52600	1.2
131.08589	1.9
131.10123	0.6
133.02841	2.2
133.06508	3.5
133.10123	18.6
134.07130	0.5
134.10497	0.6
134.99599	0.7
135.04390	1.1
135.08054	5.0
135.11713	0.9
136.02118	0.8
136.05229	1.3
136.08733	0.7
137.05969	6.8
137.08217	5.5
137.09558	3.9
137.53300	0.8
138.06679	1.5
143.08556	5.5
145.06538	0.6
146.03603	1.4
146.07297	1.5
147.04410	23.4
151.03926	2.5
151.07550	4.3
151.11192	3.9
152.08217	1.2
161.05962	4.5
161.08273	1.0
161.09595	9.6
161.13277	2.1
162.06587	1.0
164.04843	0.6
179.03409	11.6
179.07097	10.5
179.09273	1.2
179.10620	10.5
179.14284	3.7
198.10168	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
51.02382	0.6
51.92916	0.5
53.00315	0.5
53.03951	1.2
55.01872	2.5
55.05509	0.6
56.05021	1.0
56.78381	0.3
56.96567	2.2
57.03432	0.6
57.07087	0.6
64.62612	0.4
65.03945	3.3
67.02953	0.5
67.05508	3.6
68.05030	1.7
68.99792	0.7
69.03429	0.7
69.04548	0.8
69.07076	0.5
69.74575	0.3
70.06580	0.7
71.54671	0.5
71.55006	0.4
72.04523	0.5
72.93785	1.0
76.02223	1.6
77.03943	1.1
79.05485	4.6
80.05013	0.8
81.03412	1.0
81.04539	0.8
81.07054	1.7
82.06573	0.6
83.01340	0.5
83.04991	0.6
83.06098	1.4
84.04500	0.5
85.02892	0.4
89.03877	0.4
89.26768	0.3
91.05479	50.4
92.05843	0.8
93.07041	1.1
94.04136	0.6
95.04968	8.0
95.06084	4.7
95.08595	2.1
96.05640	0.6
96.93204	0.3
97.06504	0.5
97.07648	0.9
105.03385	3.9
105.04497	0.8
105.07033	4.3
106.06556	1.2
107.04948	5.3
107.06062	0.7
107.08607	1.0
108.05720	1.2
109.02892	0.6
109.06538	1.7
109.07692	0.4
109.10146	0.6
110.07168	1.0
111.05569	0.8
118.04161	1.0
119.04942	95.7
119.08595	1.5
120.04477	1.2
120.05366	2.7
121.06472	0.8
122.07165	0.8
123.04435	11.6
123.05475	0.8
123.08080	1.9
133.02841	5.6
133.04977	0.3
133.06500	2.7
133.07492	0.8
133.10149	2.2
134.06010	2.8
134.07114	1.7
134.99713	0.5
135.04445	1.4
135.05426	0.3
135.11673	0.3
135.92618	0.3
136.05206	2.1
136.07574	0.5
137.02339	0.5
137.05978	13.9
137.08240	5.8
137.09590	1.0
138.06590	1.0
139.07426	0.7
141.05464	0.3
146.03592	1.1
147.04407	100.0
148.04756	2.5
150.06654	0.5
151.03909	5.6
151.05069	0.4
151.07553	5.1
151.11201	1.0
152.08171	1.4
161.02364	3.6
161.05963	3.3
161.07021	0.6
161.08218	1.0
161.09647	1.5
161.13251	0.9
161.30952	0.4
162.06650	0.8
162.10258	0.5
163.07489	0.5
164.04720	3.7
165.05469	0.8
174.00803	0.7
178.97975	0.7
179.03415	15.0
179.07037	28.0
179.09317	2.4
179.10693	2.4
179.14294	1.2
180.03856	0.6
180.06528	0.6
180.07553	0.6
180.08925	0.7
196.99004	1.2
197.01183	0.9
197.04837	0.4
199.27921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01861	0.7
55.05509	0.4
56.05022	0.3
56.96551	1.3
57.02127	0.2
57.03426	0.4
58.06596	1.0
65.03934	0.5
67.01864	1.3
67.05502	1.1
68.05022	0.5
68.99782	3.1
69.00123	0.1
69.03410	0.5
69.04540	0.3
69.07071	0.2
70.06590	0.2
70.09924	0.9
71.01334	0.5
74.97569	0.2
76.02194	0.2
77.03928	0.4
79.05480	0.7
80.05009	0.2
81.03414	1.2
81.04535	0.6
81.07041	1.0
82.06562	0.3
83.04972	0.5
83.06089	0.8
83.08609	0.2
85.02894	0.2
91.01843	0.4
91.05469	2.8
91.84516	0.2
93.04515	0.5
93.07018	0.7
95.01291	0.2
95.04974	2.0
95.06087	1.6
95.08624	0.9
97.06495	0.3
97.07629	0.4
98.97561	0.3
103.05453	0.2
105.03387	1.5
105.07022	1.8
107.04939	0.3
107.06028	0.2
107.08572	0.4
108.05600	0.2
109.02863	0.6
109.06499	0.8
109.07617	0.3
109.10143	0.5
110.07193	0.5
111.00787	0.2
111.04446	2.3
111.05576	0.2
115.05456	0.2
115.97834	0.2
116.98638	0.3
117.02060	0.3
119.01793	0.4
119.04942	2.0
119.08552	1.1
120.05595	0.5
121.06480	0.4
122.07147	0.4
123.04429	2.8
123.05347	0.3
123.08044	0.8
124.08742	0.2
126.02605	0.3
127.03920	0.7
133.02840	2.5
133.06476	0.7
133.10132	1.4
134.06068	0.3
134.07095	0.4
135.04510	0.2
135.08011	0.2
135.11653	0.3
136.05135	0.3
136.08679	0.2
137.02306	1.4
137.05951	0.6
137.08209	2.9
137.09581	0.5
137.53389	0.3
138.05605	0.2
138.06604	0.4
139.07368	0.3
147.04388	2.7
149.05986	0.4
151.03918	1.8
151.07524	0.8
151.11153	0.3
152.08173	0.6
155.03384	2.0
161.02324	1.1
161.06033	1.2
161.08261	0.4
161.09619	0.8
161.13235	0.6
162.05440	0.2
162.06660	0.4
162.10298	0.3
163.07466	0.2
174.00740	0.6
179.03383	100.0
179.09271	1.5
179.10692	1.4
179.12865	0.4
179.14212	0.9
180.03767	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	177.091
Annotation	cis-1,2-Dihydroxy-1,2-dihydro-8-methylnaphthalene
Peak:m/z	Relative Intensity
53.03935	0.3
55.05497	0.5
63.02394	0.3
65.66705	0.2
67.05487	0.5
69.07043	0.9
69.77771	1.2
78.04684	0.4
79.05500	1.1
81.07045	0.9
83.08631	0.4
89.03918	1.3
91.05476	4.9
93.07040	2.4
95.04949	0.6
95.06070	0.3
95.08605	1.5
98.98439	0.6
103.05457	1.1
105.07024	1.4
106.04166	0.5
106.07812	0.8
107.04952	0.3
107.08586	2.1
109.10146	0.3
115.05444	4.2
116.05524	0.2
116.06245	4.2
117.03382	2.1
117.07013	13.2
117.54514	0.2
118.07384	0.4
119.04918	1.4
119.08615	0.6
121.02884	0.2
121.06485	3.0
121.10143	2.9
131.04959	0.3
131.08545	0.6
133.06488	4.0
134.03583	0.4
134.07277	4.7
135.04408	0.5
135.08044	1.9
135.11673	0.9
136.08752	0.3
144.05676	2.3
145.02853	2.9
145.06494	2.0
147.04407	0.6
147.08003	0.5
149.02309	0.6
149.05957	1.6
149.09618	1.4
149.13321	0.3
159.08092	0.5
159.11736	0.4
161.05972	1.3
162.06754	14.9
163.07063	0.6
175.07556	0.5
177.05893	2.0
177.09097	100.0
177.16335	1.4
178.09459	3.4
178.10876	0.2
190.16032	0.2
192.43071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0338
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02159	0.2
51.02380	0.5
53.03944	0.7
55.01860	1.6
55.05510	1.4
56.05027	0.7
56.96566	1.1
57.03434	0.4
57.07069	0.3
58.99598	0.4
59.04992	0.3
62.10412	0.2
64.11700	0.2
64.19807	0.2
65.03933	0.8
67.02990	0.3
67.05497	3.5
67.74897	0.3
68.05008	1.0
68.99786	0.7
69.03424	1.0
69.04561	0.3
69.07046	0.4
69.46820	2.2
70.06602	0.3
71.04990	0.4
74.80612	0.3
76.02232	1.0
77.03898	1.4
79.05491	2.3
80.05018	0.2
81.03412	1.4
81.04527	0.6
81.07052	3.3
82.05313	0.3
83.04974	3.8
83.06083	0.9
85.02892	0.5
89.03915	2.2
91.05477	5.7
93.03359	0.3
93.04541	0.3
93.07043	1.8
95.04964	7.5
95.06064	1.6
95.08590	1.5
96.04498	0.2
97.06535	0.4
97.07661	0.4
98.97575	0.3
103.05466	0.5
105.03384	3.7
105.04503	0.3
105.07021	5.1
107.04955	0.9
107.06139	0.2
107.08571	1.4
108.05634	0.4
109.02859	0.7
109.06509	10.8
109.10144	1.7
110.07176	0.5
111.04428	0.4
115.05447	0.4
116.98604	0.5
117.02090	0.3
117.03386	1.2
117.06990	0.4
119.04933	4.8
119.08581	2.6
120.05563	0.6
121.06485	2.5
121.10130	0.7
122.07195	0.8
123.04418	44.2
123.08004	1.2
123.11712	0.6
124.04800	0.6
124.08771	0.3
124.92967	0.2
126.02544	0.4
131.08591	0.4
133.02841	28.5
133.06482	1.3
133.10123	4.6
134.03143	0.7
134.07135	0.7
135.04408	4.2
135.08052	1.6
136.05220	0.4
136.08754	0.7
137.05974	1.8
137.08282	1.7
137.09601	4.7
138.06613	0.5
139.07335	0.2
143.08557	0.8
145.06528	0.2
146.03552	0.4
146.07277	0.9
147.03429	0.2
147.04395	5.0
151.03886	11.4
151.07561	0.8
151.11156	2.5
152.08212	0.9
155.99655	0.3
161.02342	0.5
161.05991	1.9
161.08273	0.5
161.09576	4.0
161.13235	0.5
162.06578	0.6
162.10339	0.3
163.07465	0.3
174.00813	0.5
179.03380	100.0
179.09264	1.3
179.10628	12.6
179.13048	0.6
179.14272	0.8
180.03708	1.9
180.06628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.13454	0.3
53.03952	0.6
58.68151	0.3
63.02364	1.6
65.02702	0.3
67.05501	0.5
69.03428	0.8
70.14038	0.8
70.14449	1.1
78.04710	2.8
79.05509	0.8
81.07060	0.3
89.03914	45.1
90.04240	0.6
91.05478	3.8
93.07051	1.7
95.04961	1.3
103.05463	1.6
105.03388	0.5
105.07045	0.6
106.04175	3.3
107.04971	0.6
107.08628	1.7
117.03375	81.3
118.03675	2.3
119.04964	0.9
119.08578	0.4
120.06857	0.3
121.06513	1.7
121.10117	0.9
124.05205	1.4
129.52568	0.4
131.04956	0.3
131.08588	0.8
133.10078	0.7
134.03624	8.4
135.04420	5.6
135.08044	1.1
135.11687	0.7
136.04758	0.3
136.08739	0.4
145.02838	100.0
146.03192	3.2
147.04404	0.6
149.02345	0.8
149.05978	25.0
149.13333	0.4
150.06384	0.4
158.06004	0.4
159.11688	1.3
162.03116	1.0
163.03891	1.5
165.22002	0.4
177.05467	21.9
177.09087	1.4
177.11360	0.7
177.12746	4.8
178.05867	0.5
186.05524	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
56.39957	0.4
57.94020	0.4
61.75756	0.4
63.02380	1.5
67.05503	0.8
67.32058	0.4
69.07060	0.7
70.24879	1.6
74.41476	0.4
78.04709	3.3
79.05490	1.8
80.78954	0.4
81.07057	0.8
89.03912	44.9
90.04241	0.7
91.05483	3.4
93.07027	1.9
95.04961	1.4
95.08601	0.9
98.98471	1.3
100.48363	0.4
103.05434	2.2
105.03380	0.7
105.04517	0.4
105.07017	0.5
106.04147	3.2
107.08576	1.9
109.10160	0.8
117.03373	77.1
118.03668	2.2
119.06914	0.4
121.02812	0.5
121.06499	0.9
121.10156	1.6
124.05199	1.5
131.04947	0.5
131.08647	0.9
134.03639	9.0
135.04422	7.1
145.02838	100.0
146.03171	2.5
147.04396	0.6
149.05977	26.5
150.06345	0.7
158.05988	0.9
159.11694	0.5
162.03134	1.3
163.03917	2.2
177.05461	26.2
177.09030	1.3
177.12727	1.6
177.14693	1.1
177.16280	0.8
178.05820	0.4
186.05508	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	176.1434
Annotation	Nigrifactin
Peak:m/z	Relative Intensity
53.03938	0.3
55.05495	0.6
56.96562	0.8
57.03439	0.4
69.03421	0.4
69.07056	0.9
70.79823	1.0
78.04725	0.6
79.05491	1.6
81.07037	1.3
83.08640	0.3
89.03918	4.2
91.05479	2.8
92.05797	0.5
92.07825	0.3
93.07032	1.8
95.04955	0.8
95.08599	1.5
95.11916	0.3
98.97591	0.4
98.98468	1.9
103.05444	1.0
105.07035	0.9
106.04175	0.9
106.06550	0.4
107.04929	0.8
107.08602	3.0
116.98635	0.7
117.03381	6.3
117.07021	1.0
118.06542	25.7
119.04922	0.3
119.07343	0.7
120.08172	0.6
120.08897	0.9
121.06516	2.9
121.10153	2.6
129.07010	0.4
130.06529	0.9
131.04936	0.8
131.08572	1.0
132.08089	8.4
133.08876	3.0
133.09853	0.6
134.03612	0.9
134.07196	0.3
134.09613	1.2
134.10509	0.6
134.99640	0.9
135.04372	0.8
135.08046	0.8
135.11723	1.0
136.07480	0.3
145.02856	7.1
146.07294	0.7
146.09642	8.2
147.04477	0.6
147.08005	0.4
147.10394	1.1
148.07631	0.4
149.02321	1.0
149.05960	3.7
149.09648	0.5
149.13252	0.5
159.08069	0.4
159.11607	0.5
160.11197	0.8
161.11958	0.5
162.03160	0.7
162.06795	0.7
176.06987	0.9
176.14343	100.0
177.05481	4.5
177.09105	7.0
177.12738	1.5
177.14674	3.7
177.16335	1.4
186.05490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03946	1.4
55.05514	8.5
56.94283	0.7
56.96565	2.2
57.03447	1.0
57.07076	1.1
60.04549	0.7
67.01910	0.7
67.05501	5.4
69.07063	16.0
69.51569	6.0
70.06590	2.1
77.03893	0.7
79.05495	9.3
81.07053	39.0
83.08613	2.8
87.66823	0.7
91.05480	27.6
92.05784	1.2
93.04496	0.6
93.07040	12.0
94.07397	1.2
95.04960	1.4
95.08603	24.3
97.02889	2.0
98.21468	1.5
98.97532	0.7
98.98457	13.5
103.05470	1.8
103.50634	0.7
104.06241	1.9
105.07027	56.3
106.07343	1.8
107.04908	0.9
107.08589	14.4
108.06731	0.8
109.10161	1.1
111.04469	0.8
115.05459	14.7
116.06248	1.3
116.98589	1.7
117.07022	9.7
119.08576	100.0
120.08937	2.6
121.10139	1.6
128.06233	2.0
129.07007	3.5
130.06558	1.4
131.04921	2.6
131.08575	11.2
132.05733	7.3
132.09315	1.8
132.95872	1.3
133.10126	98.2
134.07095	1.0
134.10464	2.5
135.07925	1.2
139.92224	0.7
142.07811	1.5
143.04910	2.7
144.05669	2.1
145.06485	4.1
145.10095	5.1
146.10909	3.5
147.04405	3.3
147.08049	6.6
147.11679	17.9
148.08658	1.0
149.08173	0.7
150.39886	0.7
150.96857	1.1
151.93767	0.7
157.06482	1.4
157.10118	1.9
160.05191	20.7
160.08849	1.2
160.12480	2.0
161.05812	1.2
173.13286	1.5
175.07541	49.3
175.11073	6.5
175.14813	79.0
176.07846	2.2
176.15323	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	176.0107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59449	0.8
55.75445	0.8
69.72998	5.9
82.38832	0.8
84.54512	0.8
96.85950	0.8
132.02107	100.0
133.02501	1.7
150.03185	1.1
169.31578	1.0
176.01079	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	1.7
56.96562	4.7
57.93567	0.8
58.99866	0.7
59.06110	1.6
60.04516	0.9
70.57650	1.0
70.57982	1.0
71.95273	0.9
72.04505	0.7
74.97571	0.5
75.05600	0.8
77.00875	0.5
77.38308	0.4
77.57101	0.5
81.04532	0.8
83.06094	0.5
87.05552	0.8
96.05573	0.5
98.00924	0.7
98.97585	12.4
98.98431	1.4
100.02466	1.6
100.03992	0.5
101.00877	1.8
103.00591	0.6
103.02419	1.0
104.02507	2.2
105.02183	0.5
116.01939	9.0
116.97309	5.3
116.98618	25.1
118.03523	8.8
119.01920	24.8
119.02871	0.7
119.03709	0.7
120.02002	5.7
120.03265	0.6
120.08064	0.7
121.01662	5.6
121.03452	1.1
122.03576	2.3
130.03508	0.9
130.06474	0.8
131.01907	2.8
131.99562	1.0
132.01923	0.5
132.05061	0.6
133.03423	2.0
134.02969	100.0
134.99655	45.0
135.02292	0.7
135.03296	3.4
136.02635	0.8
136.04535	4.3
136.07431	0.7
137.01968	1.0
137.02975	16.5
137.03993	1.3
137.04677	1.0
138.03062	4.8
139.02670	4.4
140.01950	0.5
142.03470	1.2
143.03506	0.6
146.03583	1.8
147.03268	0.6
148.04556	0.8
148.96179	0.8
149.02921	0.7
149.05957	0.5
151.04529	0.9
152.02127	1.5
152.03993	27.4
152.05956	1.0
152.96941	2.1
153.00717	12.3
153.04237	1.3
154.01123	0.8
154.03462	1.7
157.04582	3.4
158.01277	2.3
158.02962	7.4
158.04234	0.6
158.04774	0.7
160.04541	1.4
164.04659	1.5
170.03235	1.0
170.97974	0.7
171.01360	6.0
171.04936	1.1
171.06169	1.4
172.04564	1.4
175.98518	2.1
176.02313	2.3
176.04149	23.7
176.05890	3.0
176.09264	0.9
176.11722	0.6
176.14301	1.1
177.00896	1.4
177.04271	3.5
189.02353	3.8
194.03278	0.7
194.05095	8.1
194.06918	1.2
195.05186	0.7
199.05702	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.00285	1.3
55.01868	1.3
55.05491	2.4
56.96554	2.8
57.03433	100.0
58.03756	1.2
61.06391	1.0
62.34237	1.0
67.05505	1.6
69.03408	1.4
69.07043	1.3
69.56958	6.9
70.06591	1.9
72.12764	1.0
79.05452	1.0
81.07011	2.0
85.02905	1.6
91.05475	13.4
92.90493	1.9
93.07060	1.4
95.04966	1.0
97.02863	2.0
98.98459	37.8
105.03331	1.2
105.07032	10.9
107.08587	1.1
115.03961	1.1
115.05414	1.4
116.98638	1.1
116.99450	1.4
117.06993	4.3
119.04899	1.6
119.08569	55.7
120.08926	1.3
129.06946	2.9
131.08522	3.1
133.06490	2.2
133.10109	9.2
142.07759	4.2
146.07231	1.9
147.04381	3.5
147.08073	5.4
147.11665	4.9
151.93883	6.5
157.04286	2.4
157.10080	6.1
160.08861	1.4
169.95097	1.2
174.95576	1.8
175.03879	1.6
175.07544	3.9
175.11163	49.1
175.14722	7.0
176.07062	2.1
176.14423	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03941	1.1
54.70320	0.7
55.05507	9.2
56.05034	0.9
56.96558	2.3
57.03442	0.8
57.07079	1.7
58.52062	0.8
60.01753	0.8
65.03932	1.4
67.01868	0.7
67.05506	6.2
69.03433	1.4
69.07068	15.6
70.06593	4.8
71.59623	1.0
72.39556	0.8
79.05486	8.9
81.06577	1.4
81.07056	26.6
83.08620	2.8
86.96981	0.8
87.04472	1.0
91.04893	1.9
91.05478	38.2
92.90054	1.2
93.07050	11.8
95.04961	1.7
95.08603	17.3
97.02888	1.8
98.98462	19.1
103.05441	2.1
104.06221	2.1
105.07028	55.6
106.07345	1.5
107.04961	2.3
107.08589	13.2
109.06561	0.9
109.10160	0.8
111.04452	0.8
112.07576	1.4
115.05440	6.8
116.07095	0.9
116.97213	0.9
116.99483	1.2
117.07005	7.4
119.04941	2.6
119.08577	100.0
120.08946	3.1
121.10151	3.6
122.31223	0.7
128.06210	1.3
129.06985	4.8
130.06540	0.9
131.04926	2.3
131.08568	14.0
132.05727	3.9
132.09364	0.8
133.06490	2.0
133.10127	70.8
134.07079	1.0
134.10461	1.8
135.07953	0.8
142.07771	1.3
143.04950	0.8
144.05783	0.8
145.06502	2.0
145.10124	5.2
146.07245	1.3
146.10919	5.2
147.04451	3.5
147.06816	1.0
147.08029	7.0
147.11691	21.2
148.09711	0.8
151.93831	2.3
157.04298	1.2
157.06421	0.9
157.10188	1.9
160.05185	7.1
160.08835	1.7
160.12477	3.2
169.99146	0.7
170.61089	0.8
173.13280	2.0
175.03914	2.0
175.07529	24.2
175.09865	1.5
175.11212	12.6
175.14818	91.0
176.06895	1.2
176.15167	3.1
177.52278	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
50.09015	0.3
55.05498	0.4
67.05496	0.5
67.54331	0.4
69.03411	1.5
69.07059	0.5
71.34595	0.4
75.84996	0.4
79.05473	1.1
81.07037	0.6
83.04956	0.6
91.05467	3.6
95.04982	0.4
97.02900	0.4
98.98445	1.6
103.05412	0.5
105.07025	7.3
107.08587	3.9
115.05479	1.0
117.07005	1.5
119.04906	0.9
119.08575	25.0
119.87517	0.4
121.05764	0.4
121.06510	2.7
129.06982	1.3
130.06511	0.6
131.04936	0.9
131.08572	1.2
132.04456	0.8
132.05682	0.7
132.95818	0.7
133.06555	1.8
133.10132	3.8
135.08049	5.6
141.06990	1.0
142.07774	5.5
143.08438	0.4
145.06476	13.5
145.10120	1.0
146.07259	3.0
147.04393	0.6
147.08044	4.9
147.11679	16.9
150.96886	0.6
157.03877	0.4
157.10124	6.9
159.08026	2.7
160.08830	43.3
161.09164	1.0
164.35339	0.4
171.14647	0.4
173.09671	0.7
175.07608	2.6
175.11176	100.0
176.11583	2.9
182.55304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09015	0.3
55.05498	0.4
67.05496	0.5
67.54331	0.4
69.03411	1.5
69.07059	0.5
71.34595	0.4
75.84996	0.4
79.05473	1.1
81.07037	0.6
83.04956	0.6
91.05467	3.6
95.04982	0.4
97.02900	0.4
98.98445	1.6
103.05412	0.5
105.07025	7.3
107.08587	3.9
115.05479	1.0
117.07005	1.5
119.04906	0.9
119.08575	25.0
119.87517	0.4
121.05764	0.4
121.06510	2.7
129.06982	1.3
130.06511	0.6
131.04936	0.9
131.08572	1.2
132.04456	0.8
132.05682	0.7
132.95818	0.7
133.06555	1.8
133.10132	3.8
135.08049	5.6
141.06990	1.0
142.07774	5.5
143.08438	0.4
145.06476	13.5
145.10120	1.0
146.07259	3.0
147.04393	0.6
147.08044	4.9
147.11679	16.9
150.96886	0.6
157.03877	0.4
157.10124	6.9
159.08026	2.7
160.08830	43.3
161.09164	1.0
164.35339	0.4
171.14647	0.4
173.09671	0.7
175.07608	2.6
175.11176	100.0
176.11583	2.9
182.55304	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1117
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03929	1.7
55.01858	2.4
55.05265	1.4
55.05503	14.2
55.27602	1.4
56.96291	2.2
56.96559	29.5
57.03434	93.0
57.07083	6.9
62.85680	1.4
65.03971	1.4
67.05511	6.7
69.03399	3.0
69.07060	13.0
69.37647	13.6
70.06577	4.7
71.95246	2.2
79.05476	6.7
81.07050	9.1
81.08347	1.3
83.04977	2.3
83.08598	2.3
85.02883	1.8
91.05476	29.1
92.90039	2.4
93.07029	5.8
95.03420	1.6
95.04957	4.7
95.08598	4.4
97.02865	1.8
98.98460	36.2
103.02350	2.0
103.05448	2.0
104.03062	1.8
105.00207	1.5
105.07026	21.4
107.04922	2.9
107.08582	4.6
109.02276	1.3
112.02815	7.3
112.36800	1.4
113.03587	2.5
115.05436	6.0
116.99476	2.4
117.03848	6.3
117.06991	8.8
119.03616	3.9
119.04958	1.9
119.08572	100.0
120.08884	2.7
121.03374	2.0
121.06474	2.5
122.03086	1.4
126.04379	6.3
128.06203	2.6
129.06978	8.5
130.04651	2.4
130.06439	2.2
131.08572	6.4
132.05644	1.9
133.06464	2.6
133.10115	27.1
134.04865	3.1
134.07181	1.5
135.04936	1.5
142.07767	4.7
143.05428	21.2
143.55608	1.3
145.06458	2.4
145.10110	3.0
146.07249	4.5
147.04398	3.4
147.08025	14.0
147.11707	11.3
151.93808	2.7
152.05949	11.0
154.56206	3.7
155.03702	1.5
157.10114	6.3
160.05186	5.8
160.08887	3.5
161.01199	7.8
161.06458	4.4
163.56770	2.0
169.94905	1.6
171.03220	2.0
175.02748	5.3
175.04019	2.4
175.07518	20.8
175.09866	2.7
175.11166	51.2
175.14803	26.8
176.07077	1.7
179.02284	3.6
185.04834	2.0
189.04353	8.4
193.03738	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	175.0753
Annotation	5-Methoxy-1-naphthalenol
Peak:m/z	Relative Intensity
51.02372	0.4
53.03933	0.5
53.70128	0.3
55.05501	0.5
59.82016	0.3
59.93840	0.3
67.05482	0.5
69.03415	0.3
69.07061	1.2
69.94009	1.3
70.06590	0.9
77.03926	0.6
79.05492	0.4
81.00742	0.3
81.07047	1.2
83.04963	0.3
91.05471	3.7
93.07034	0.5
95.04961	0.9
95.08610	0.8
97.02914	0.4
98.98456	4.8
103.05463	39.9
104.05788	1.1
105.07027	4.2
107.08589	0.8
109.10242	0.3
115.05476	2.2
117.06998	1.3
119.04963	0.6
119.08568	6.9
120.33462	0.3
128.06189	0.5
129.06993	1.4
131.04921	100.0
131.08586	1.1
132.05170	2.7
132.96960	0.3
133.10127	5.9
134.07159	0.4
141.28261	0.4
142.07768	0.6
143.04933	0.5
144.05629	0.4
145.06454	0.6
145.10088	0.5
147.04468	1.7
147.08002	1.5
147.11646	1.6
148.08659	0.4
157.10085	0.6
160.05193	2.8
160.08846	0.4
175.07538	73.3
175.11165	1.7
175.14807	4.5
176.07907	2.9
184.66566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05499	2.1
56.05037	3.5
56.05838	1.3
56.96565	1.7
57.03437	15.8
58.06563	0.7
59.04995	1.0
59.06114	0.7
59.60106	0.6
60.04524	46.0
63.51585	0.5
67.05477	0.7
68.05031	4.7
69.03070	1.1
69.03428	17.6
69.07070	2.0
70.03517	2.5
70.06585	0.7
70.95858	2.2
72.04504	1.9
72.93777	2.8
74.06069	0.6
79.05483	1.2
80.69287	0.7
81.07050	2.1
83.04991	1.4
84.04504	33.8
84.05315	1.8
85.02905	13.5
86.06062	3.3
86.09711	1.7
87.04462	1.5
88.03978	1.3
88.96908	0.8
90.94835	2.4
91.03938	0.7
91.05479	5.3
93.07030	0.8
95.08620	0.9
96.04490	13.8
97.02888	100.0
98.03220	2.6
98.06074	0.9
98.97567	1.6
98.98469	5.8
100.03979	1.9
101.06021	1.2
102.05546	8.6
102.06263	1.3
103.13706	0.6
105.07026	4.8
108.95901	0.9
111.98482	1.4
112.04752	1.6
114.05527	40.5
115.03939	8.7
115.05382	1.4
116.98608	1.1
117.07024	1.9
118.06530	1.6
119.04961	1.0
119.08585	7.6
123.88689	0.6
125.02313	0.6
126.05532	0.8
128.07095	1.3
128.07988	0.7
129.06982	2.3
129.99513	1.2
130.05716	1.3
131.04913	1.5
131.08548	2.1
132.05688	1.3
132.06569	5.4
132.08063	2.6
132.08934	1.5
132.95860	2.9
133.06493	0.9
133.10147	4.9
134.99611	0.7
138.05479	0.9
144.83290	0.7
146.05981	5.1
146.08116	1.7
146.10492	0.7
147.04404	1.5
147.08043	1.3
147.11685	1.6
149.98471	1.6
150.60199	0.6
150.96895	10.4
155.97426	1.1
156.06476	1.6
156.07518	1.0
158.09570	0.7
159.08017	1.3
160.05180	3.1
160.08824	0.7
168.97955	1.1
173.98495	2.2
174.07622	68.5
174.12810	5.5
175.07613	5.7
175.09729	0.8
175.11046	1.4
175.14821	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	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
52.32986	0.6
53.03940	1.5
55.01855	1.0
55.05501	1.5
56.05034	3.9
56.05843	0.9
56.96550	1.2
57.03435	12.0
60.04524	43.3
61.02934	1.5
67.05486	0.7
68.05037	4.3
69.03426	15.9
69.07076	0.7
69.56842	3.8
69.57255	1.3
70.95838	1.1
72.04521	1.2
72.93782	1.5
79.05515	0.9
81.07070	1.5
84.04502	31.8
85.02902	14.7
86.06065	4.0
86.93607	0.6
87.04440	0.6
90.87917	0.6
90.94845	1.1
91.03976	1.2
91.05487	8.4
93.07032	0.6
95.08583	0.7
96.04490	13.4
97.02888	100.0
98.03204	1.8
98.06048	0.7
98.98463	1.7
100.03982	1.2
101.06000	0.6
102.05547	8.9
103.05431	0.8
105.07015	3.6
111.04462	0.7
111.98482	0.9
114.05527	38.9
115.03934	7.7
117.07024	1.6
118.06562	1.0
119.04981	0.7
119.08585	6.3
128.06146	0.8
129.06992	2.3
129.99530	0.6
130.07440	0.7
131.05022	0.9
131.08568	1.1
132.06573	3.4
132.95844	1.9
133.10130	11.6
138.05475	1.3
145.06476	2.3
146.05951	1.2
146.08067	0.9
146.10454	0.6
147.04404	1.6
147.11676	1.9
150.96890	4.5
156.06512	1.5
160.05238	0.8
174.07617	69.6
174.10043	1.7
174.12726	1.8
175.07736	2.7
175.11118	1.1
175.14789	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	173.1324
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
55.05513	4.9
57.07068	2.4
59.04990	1.0
67.05501	2.0
69.07027	0.9
69.55447	7.2
79.05503	2.2
81.07031	5.4
83.04986	4.6
91.05472	12.8
93.07034	3.1
101.06017	3.1
105.07022	13.8
107.08659	1.2
111.04432	7.5
115.05458	1.4
116.06212	2.6
117.07005	7.8
119.08579	12.6
128.06174	1.4
129.05479	1.7
129.06989	9.8
130.07803	1.8
131.08562	100.0
132.08922	1.5
132.95862	1.2
133.10101	1.6
143.08540	16.5
144.09343	9.8
145.10123	31.5
146.05956	1.0
146.10432	0.9
155.07014	4.0
156.09320	1.3
157.10162	1.0
158.10907	24.3
167.53368	1.0
171.11668	1.7
173.08159	4.4
173.13257	93.5
174.13646	2.3
194.30237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03935	1.4
55.01842	0.8
55.05510	33.5
55.93492	0.9
56.96564	1.6
57.03426	1.7
57.07074	1.2
57.58294	0.7
59.05008	5.8
59.06118	1.9
59.88701	0.7
59.91643	0.9
60.04523	1.7
65.03946	1.4
67.05514	5.1
69.03406	1.5
69.07066	1.2
70.06583	1.7
70.95864	2.3
71.59030	1.0
72.08141	2.8
72.93391	1.1
72.93792	19.3
73.02917	1.1
77.00902	1.0
78.04712	0.9
79.05479	2.2
81.03420	1.2
81.07040	2.8
82.01443	1.0
83.04984	38.1
84.04491	1.8
84.05304	1.1
85.02895	1.2
85.06550	1.7
86.06065	1.1
86.52678	1.7
87.04456	3.2
88.96850	1.0
89.02378	2.8
89.36636	0.9
90.94824	14.0
91.05480	30.4
92.05810	1.0
93.07030	1.6
95.01975	0.9
95.04981	1.2
95.08577	0.9
96.04465	1.0
97.02886	1.4
98.06013	0.9
98.97586	1.0
99.04449	2.9
100.02502	4.7
101.06017	26.1
103.05486	1.1
105.07017	10.8
108.95853	5.9
111.04440	35.6
111.09173	1.2
111.98442	1.8
113.02335	0.9
113.05981	3.9
113.07085	1.5
113.96403	1.7
114.06710	1.1
115.05426	3.9
115.08660	1.3
116.06227	1.7
116.54459	4.5
117.04593	1.7
117.07024	8.4
118.03534	2.2
118.06604	1.2
119.01925	1.5
119.08575	15.9
125.55008	2.4
126.06560	0.8
127.07548	4.6
128.06223	1.3
129.05489	23.1
129.06956	9.3
129.99486	1.5
130.07774	3.9
131.08566	61.9
131.97452	2.2
132.08923	2.0
132.95827	5.0
133.06512	1.5
133.10138	2.7
137.06000	1.8
142.07747	1.6
143.07472	1.8
143.08553	20.7
144.05684	1.6
144.09354	8.7
145.06430	2.5
145.10120	28.6
146.05971	3.7
146.08070	1.7
149.96085	5.5
149.98456	1.8
150.96890	11.3
155.07031	27.2
155.97453	2.1
156.07426	0.9
156.09317	1.8
156.11316	1.1
157.10106	2.2
158.07303	1.4
158.10902	33.6
159.11244	1.4
163.00893	2.1
167.97136	7.3
168.01511	1.6
168.97823	0.8
171.11659	2.8
173.04668	1.3
173.05896	1.8
173.08136	40.7
173.09621	3.6
173.13257	100.0
173.98550	2.1
174.05392	1.0
174.07526	1.4
174.13570	3.6
183.32465	0.8
186.02455	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	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
52.12730	0.5
55.05289	0.6
55.05508	6.4
55.78082	0.6
56.96552	2.3
57.03430	0.7
57.07066	0.6
63.76427	0.5
65.03921	0.6
65.63186	0.5
67.05502	1.6
69.07052	1.8
71.60428	1.2
72.04142	0.9
72.04514	12.3
75.52909	0.5
79.05486	1.0
81.03416	0.9
83.08625	3.1
89.07151	8.3
91.04961	0.8
91.05484	8.0
93.07057	0.8
97.02876	0.8
97.06533	0.6
97.10148	0.6
98.48419	0.6
98.97577	0.8
105.07048	4.1
107.08574	0.6
108.82351	0.6
109.02856	1.5
110.01291	0.6
111.04395	0.9
115.05457	4.7
116.98608	0.6
117.07001	6.2
119.01797	1.3
127.03910	0.8
127.53744	0.6
128.02361	1.0
128.06212	14.4
129.07005	63.3
130.07758	2.5
131.08566	1.6
134.99643	0.5
136.87085	0.7
139.03802	0.6
139.53079	0.7
140.96541	0.6
141.06969	3.8
142.07803	3.6
143.08557	40.7
144.08899	2.1
145.06459	1.5
153.01842	0.8
155.05997	0.9
155.08531	1.3
156.09340	9.1
169.10138	1.7
171.02875	0.8
171.11682	100.0
172.09804	0.6
172.12112	4.5
181.36630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0287
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02374	1.5
53.03944	4.6
55.01866	3.7
55.05506	5.8
56.96556	1.3
57.03428	1.4
57.07060	1.8
58.59843	0.7
59.04998	0.8
66.24949	0.8
67.05503	1.9
69.03423	7.2
69.07063	3.8
69.73263	5.3
70.94236	1.4
72.04513	10.0
72.08151	1.5
73.06549	10.0
79.01844	8.9
79.05473	1.4
80.23174	0.7
81.03411	70.8
81.07047	1.9
82.03751	1.6
83.04968	2.2
83.08611	3.1
85.06544	1.3
86.09716	1.6
87.04469	1.0
89.07149	6.5
91.05444	0.9
93.00053	0.7
93.07059	1.1
95.08594	3.5
96.02104	2.9
97.02900	6.2
97.06542	1.2
99.08096	0.8
105.07027	0.9
107.01308	77.5
107.08566	1.7
108.01671	2.2
109.02872	100.0
109.10131	1.8
110.03217	2.1
111.04412	2.2
111.08096	1.0
111.09160	1.6
113.09615	1.4
115.05440	2.6
125.02345	56.5
125.09603	1.0
126.02634	1.3
127.03908	82.9
127.11130	1.7
128.04253	2.5
128.06236	4.5
129.06975	3.2
135.00786	5.8
135.11671	2.2
137.03438	2.3
139.00262	0.9
139.03958	1.0
141.06963	5.9
142.07784	2.8
143.03398	4.2
143.04883	0.8
143.08536	9.9
153.01817	79.6
153.12697	1.8
154.02161	1.7
155.08537	2.0
156.09335	29.8
171.02881	35.7
171.04283	1.7
171.07990	2.0
171.09302	1.2
171.11665	22.5
171.14926	5.7
172.03191	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	5-Methyl-2-methylene-4-vinyl-5-hexene-1,3-diol
Peak:m/z	Relative Intensity
51.74546	0.8
53.03928	2.8
53.18191	0.9
55.01857	3.6
55.05508	6.8
56.05027	1.0
56.96551	3.4
57.03422	2.7
57.07059	3.9
59.04999	74.4
59.06117	2.4
60.05314	0.9
65.03935	2.0
66.55396	0.9
67.05504	15.5
68.05011	1.9
68.99774	2.4
69.03422	5.1
69.07062	5.6
70.06600	1.2
71.04990	14.6
72.08151	1.9
73.55729	1.0
77.03932	1.0
79.05050	1.7
79.05486	21.6
81.03435	5.0
81.07053	100.0
82.07368	2.9
83.04969	3.4
83.06086	1.8
83.08610	4.0
84.08135	2.0
85.02905	1.3
85.06532	5.1
85.07640	1.6
86.06062	0.9
86.08428	1.5
87.04462	15.5
89.06023	4.2
91.05479	14.4
93.07038	45.8
95.04967	9.0
95.08601	10.5
97.02863	1.7
97.06522	2.5
98.03708	1.0
98.07193	1.4
99.04464	1.4
105.07023	37.8
106.07358	1.4
107.08602	6.4
109.02869	14.2
109.06508	13.0
109.07613	2.6
109.10143	10.7
110.07156	3.6
111.00813	10.0
111.04485	4.4
111.05550	1.4
111.08082	11.2
111.09217	7.1
112.86157	1.0
113.05938	1.1
121.10150	9.6
123.04417	3.6
123.08093	7.3
123.11706	12.6
124.01604	1.5
125.05961	0.9
125.07130	0.9
125.09599	1.7
126.03144	12.8
126.06658	0.9
127.03932	5.7
127.07487	1.1
133.10118	10.3
136.08691	0.9
139.11081	1.1
141.04361	2.0
141.05458	32.9
141.07068	1.4
142.05826	2.0
146.05997	1.1
151.03876	2.1
151.07492	1.0
151.11169	24.4
152.08224	1.0
152.11662	1.1
154.02547	1.5
154.07768	1.2
155.03365	7.4
163.97670	1.5
169.04953	13.3
169.07414	2.1
169.08655	2.1
169.09859	1.1
169.12178	4.5
170.05736	7.8
170.08070	1.0
170.09561	2.1
180.29820	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03926	2.5
55.01857	2.9
55.05503	12.9
56.05035	1.5
56.96563	6.5
57.03425	4.6
57.07072	22.1
58.06616	0.9
59.04991	4.4
59.06103	4.1
65.03931	4.8
67.05501	43.4
68.05020	2.0
68.99781	1.8
69.03423	47.7
69.07062	15.7
69.81987	3.1
69.82391	2.2
70.06573	2.0
71.01340	1.3
71.04987	31.0
72.08141	2.6
73.06562	2.5
79.05490	10.1
81.03417	7.1
81.04518	1.1
81.07050	69.7
82.06577	1.3
82.07372	1.8
83.04543	1.5
83.04978	19.7
83.06071	2.8
83.08609	5.5
84.08123	3.1
85.02902	10.1
85.06537	100.0
86.06081	1.1
86.06862	2.1
91.05480	4.8
93.07037	9.3
94.06558	1.3
95.04960	15.0
95.08600	21.1
97.02877	1.6
97.06536	6.0
97.07673	1.3
98.03669	1.1
98.07178	1.2
99.04478	5.5
99.08089	5.2
105.07011	7.7
107.04967	1.6
107.08585	13.0
109.02866	12.5
109.06514	23.7
109.07652	3.1
109.10149	66.0
110.06029	1.2
110.07179	2.9
110.10448	1.3
111.00774	5.2
111.04452	5.5
111.05533	1.6
111.08073	17.0
111.09186	8.6
113.05994	15.5
115.05412	1.8
121.10132	27.0
122.10500	1.6
123.04433	2.3
123.08073	15.1
123.11696	78.0
124.04666	3.0
124.08698	1.4
124.09783	1.0
124.12013	3.1
125.05973	1.7
125.09595	2.8
126.03120	10.1
127.03800	1.7
127.07522	1.7
128.95117	2.0
133.05141	1.4
133.10146	4.6
136.08789	1.5
139.11171	21.5
140.11508	2.0
141.05453	28.2
141.06953	2.3
142.05815	1.3
146.96097	1.7
151.03848	2.3
151.07520	2.7
151.09937	1.9
151.11172	30.5
152.08176	2.4
152.11595	1.6
163.97742	2.3
169.04997	10.6
169.06343	1.7
169.07561	3.1
169.08757	1.9
169.10947	2.6
169.12221	70.4
170.08224	1.1
170.09592	2.2
170.12617	2.3
181.98799	1.4
183.34627	1.0
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-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
51.02176	0.5
51.02410	0.5
53.00296	0.5
53.03944	1.2
55.01863	1.4
55.05507	4.3
56.05022	0.7
56.96566	3.0
57.03417	1.5
57.07069	2.6
59.04980	1.4
59.06108	2.3
65.03926	2.2
67.01860	21.4
67.05167	0.7
67.05501	11.6
68.05019	1.3
68.99773	5.8
69.03425	5.2
69.07053	3.5
70.06577	2.0
71.04987	4.7
71.58575	0.7
71.58898	0.5
72.04515	0.6
72.08143	2.0
79.05487	2.8
81.03407	7.1
81.07051	14.9
82.06560	1.5
83.04975	5.6
83.06099	1.8
83.08593	1.5
84.04516	0.7
84.08124	1.8
84.65517	0.5
85.02899	17.8
85.06544	9.8
85.07649	0.9
86.06082	0.7
86.08447	0.7
91.05476	1.2
93.07041	2.8
94.06535	1.0
95.04959	10.9
95.06037	0.5
95.08601	7.6
97.02866	2.1
97.06514	2.1
97.07634	1.0
98.03674	0.7
99.04427	1.9
99.08071	1.2
105.07024	2.4
107.04958	0.6
107.08598	3.6
109.02876	10.9
109.06512	5.4
109.07632	1.9
109.10145	10.1
110.07146	1.7
111.00802	7.8
111.04475	4.9
111.05560	1.4
111.08075	2.8
111.09198	5.9
113.02412	0.7
113.05991	2.6
115.05448	0.5
119.00217	0.6
119.95064	0.7
121.10122	2.5
123.04420	32.3
123.08072	3.8
123.11693	7.9
124.04734	2.4
124.07590	1.0
124.08704	0.6
125.05947	0.5
125.09579	0.8
126.02271	0.7
126.03140	10.9
126.10275	1.2
127.03912	20.7
127.07499	1.1
129.01834	1.4
133.02765	0.6
133.10126	1.9
136.80725	0.6
139.11166	2.1
140.18953	0.5
141.05453	28.9
141.06917	1.2
142.05801	0.7
142.99207	0.5
146.96100	1.0
151.03893	69.0
151.07423	2.7
151.11156	6.9
152.04251	1.9
152.08186	1.1
152.11769	0.8
154.02577	1.6
154.07780	0.8
163.97699	1.5
169.04953	100.0
169.07457	2.5
169.09868	1.4
169.12178	7.3
169.14461	0.6
170.05249	2.7
170.09587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0495
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
50.74190	0.3
51.19248	0.3
53.03941	0.7
55.01859	1.3
55.05496	1.1
56.05024	0.4
56.96558	1.4
57.03451	0.4
59.06118	0.9
65.03941	1.2
67.01859	5.4
67.05502	4.4
68.99776	3.6
69.03417	0.5
69.07084	0.6
70.06568	0.6
70.37349	1.4
71.05000	0.6
72.08133	1.0
79.05479	0.7
81.03419	2.4
81.07054	2.1
83.04959	1.3
83.06106	0.4
84.08132	0.7
85.02898	1.7
85.06498	0.3
91.05492	0.5
95.01298	0.4
95.04961	8.4
95.05945	0.4
95.08616	1.0
95.20274	0.4
96.05295	2.0
97.06501	0.4
99.04472	0.3
99.43847	0.4
105.07002	0.5
106.91705	0.4
109.02880	4.6
109.06489	0.8
109.07611	0.4
109.10144	0.7
110.07137	0.5
111.00787	3.1
111.04423	1.3
111.07971	0.6
111.09227	2.7
113.02364	0.4
123.04420	37.2
123.08010	0.5
123.11700	0.6
124.04726	1.6
124.08696	0.5
125.06011	0.4
126.03122	4.6
127.03910	13.4
128.95018	0.4
133.02824	0.5
141.05457	13.2
142.05779	0.5
151.03893	57.2
152.04211	1.5
152.08168	0.5
154.02634	0.6
155.03384	1.2
163.97702	0.4
166.65276	0.4
169.01468	2.3
169.04953	100.0
170.05269	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	168.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
54.68093	0.4
55.01864	2.2
55.05500	0.6
55.81061	0.4
56.05029	0.8
56.96561	43.0
57.03430	0.7
58.06599	0.4
65.03926	1.8
67.01890	0.5
67.05164	0.8
67.05501	10.5
67.92502	1.1
68.99786	0.9
69.03416	0.9
69.07075	0.9
69.95822	2.2
70.06590	0.7
71.01355	0.5
71.04984	0.5
71.95264	1.2
72.60001	0.4
72.93781	0.6
72.96041	0.5
73.02908	0.6
74.97595	4.3
77.00880	0.5
77.03934	0.4
77.35136	0.4
79.05482	3.8
80.05007	1.5
81.03414	6.7
81.07059	1.1
82.94836	1.7
83.00335	0.5
83.00748	2.0
83.04974	0.6
84.04496	0.8
84.08121	0.5
84.96012	1.3
85.02902	1.4
91.00521	1.8
91.05468	6.7
92.01298	0.7
92.05798	0.5
92.98612	0.7
93.07048	0.7
94.04180	6.7
94.06569	1.7
94.51560	0.5
95.04962	45.0
95.08560	0.5
96.04483	1.6
96.05280	0.5
97.06551	0.6
97.07639	0.5
97.99174	1.2
98.03648	0.5
98.06033	1.3
98.97575	0.7
99.04413	0.5
100.01035	0.9
100.02452	1.8
100.95863	0.7
100.99148	1.1
101.00832	0.9
101.02556	0.4
102.94846	0.4
103.01311	0.5
103.05476	0.8
103.52159	0.4
105.03408	0.7
105.04511	1.2
107.04947	56.0
108.04467	2.7
108.05279	1.6
109.02867	8.6
109.06478	0.6
110.97518	1.0
111.00803	1.2
111.04433	7.7
112.01012	1.2
112.01719	0.4
115.02312	4.6
116.00235	0.5
116.98634	1.1
118.03512	1.0
119.00082	1.1
119.01911	4.9
119.04931	4.0
121.01530	2.6
121.02313	1.8
121.06479	0.9
122.06045	4.5
123.04417	100.0
123.97486	0.9
124.03975	0.5
124.04745	2.5
124.07552	0.4
125.06036	0.5
126.03115	2.4
126.05503	5.4
126.93767	0.6
126.97063	0.7
127.03903	1.4
128.98593	2.9
130.02808	3.7
131.01894	1.6
131.04916	1.0
134.99625	1.1
135.02025	0.6
137.02919	1.6
137.05951	0.7
138.05511	0.6
140.03375	1.7
140.07037	1.4
140.10649	0.5
141.05446	5.7
141.53578	1.0
142.96504	1.0
144.95807	1.2
144.98061	4.0
144.99834	1.4
145.03488	1.8
146.99623	8.0
148.00294	0.5
148.97581	0.7
149.01183	1.1
149.03029	0.5
149.05937	1.0
150.02960	0.4
150.05496	2.8
150.99101	1.5
151.03886	21.4
152.04250	0.7
159.27704	0.4
160.97562	3.3
162.95816	1.2
162.96912	1.2
162.99126	9.5
163.00795	1.4
163.04518	0.9
163.96315	0.8
164.01151	0.4
165.00719	1.8
166.98596	0.9
167.96353	0.6
168.02928	0.9
168.05151	0.8
168.06535	11.9
168.07944	0.7
168.10136	1.8
169.00198	1.0
169.04929	2.0
169.84763	0.4
175.99979	0.4
178.98640	3.8
181.00198	2.1
181.01601	0.6
188.97044	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	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95965	0.9
53.00296	1.8
53.03936	4.3
54.00957	1.0
55.01856	2.9
55.05262	1.1
55.05509	16.4
56.05030	1.0
56.96562	5.0
57.03424	3.1
57.07074	4.4
58.14733	1.0
59.04985	3.6
65.03934	4.4
67.05166	1.7
67.05504	27.9
68.01365	1.0
68.05016	1.0
68.99773	1.2
69.03417	4.8
69.06712	1.5
69.07065	19.7
70.06594	1.1
71.04992	24.3
71.59552	1.6
73.06547	11.4
77.03950	0.9
78.04704	13.8
79.05488	26.3
81.03423	4.9
81.07054	34.9
82.06567	1.7
82.07373	1.3
83.01339	1.3
83.04980	5.8
83.06116	1.0
83.08611	8.7
84.96036	7.0
85.02916	1.1
85.06541	3.6
87.08106	2.7
91.05476	12.3
92.47874	0.9
93.03418	2.4
93.07043	34.9
94.04159	2.0
94.06597	0.8
94.07335	1.5
95.04977	9.7
95.08601	78.9
96.05748	0.9
96.08938	0.9
97.02883	1.6
97.06525	8.2
97.10133	2.3
102.94874	1.6
102.97066	2.2
103.00647	1.2
103.05472	1.2
105.03385	2.1
105.07014	6.6
106.04176	5.5
107.04957	6.6
107.08591	44.3
108.04456	1.7
108.08897	1.4
109.02866	3.1
109.04012	1.0
109.06511	9.4
109.07649	2.9
109.10146	19.6
110.03626	1.0
110.05967	1.1
110.07228	0.9
110.08424	1.0
111.04427	4.7
111.08092	6.5
119.08591	1.4
120.02054	1.2
120.98107	1.2
121.00853	1.5
121.01666	22.7
121.02861	3.7
121.06499	4.5
121.10134	24.8
122.03642	1.6
122.06041	1.8
122.07097	2.4
123.04427	36.9
123.08035	4.6
123.11699	10.4
124.05248	9.2
124.08696	1.9
125.05970	2.3
125.07043	1.0
125.08237	2.3
125.09619	7.2
126.05515	1.7
126.06641	1.4
131.08589	2.2
134.03633	1.3
137.05977	2.0
138.03073	1.7
139.02707	14.6
139.03857	3.2
139.07527	3.8
139.11205	1.1
139.98013	1.1
144.03239	15.8
149.02359	3.9
149.09644	4.4
149.13248	18.1
150.05447	2.5
150.10208	2.1
151.03882	6.2
152.04689	7.1
152.06238	2.6
162.04253	7.4
165.07019	4.5
166.07791	1.0
167.03423	9.3
167.07043	100.0
167.08481	7.7
167.10609	8.5
167.14285	9.1
168.07457	3.6
169.24869	1.0
185.04454	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	167.0703
Annotation	Apocynin
Peak:m/z	Relative Intensity
52.03141	0.3
53.00307	0.4
53.03948	1.6
54.03453	0.4
55.01868	0.6
55.05505	1.2
56.05032	0.8
56.96558	0.6
58.06578	0.3
59.06116	1.1
65.03928	1.4
66.04710	1.0
66.67249	0.3
67.05493	1.4
68.05016	1.2
68.99775	0.5
69.03439	0.8
69.07053	0.8
70.06577	1.1
71.04967	0.4
71.16977	0.7
72.08161	0.7
73.02905	0.8
74.01368	0.3
78.04714	15.3
79.05061	0.6
79.05490	7.5
80.05003	0.5
81.03407	1.5
81.04526	0.9
81.07047	1.9
82.06564	2.3
82.95544	0.3
83.04999	2.4
83.06093	1.3
84.04546	0.4
84.08122	0.6
85.02897	0.4
85.07645	0.8
91.05482	3.9
93.03396	0.9
93.07051	4.0
94.04179	1.3
94.06547	0.5
95.04969	7.1
95.06064	0.7
95.08610	0.7
96.05737	1.3
97.06528	1.3
97.07636	1.1
98.07155	0.4
103.05490	0.6
105.03394	0.9
105.04507	0.6
105.07034	0.8
106.04175	5.3
107.04962	4.0
107.06065	0.5
107.08588	2.6
108.04509	0.4
109.02875	1.9
109.06462	1.4
109.07648	4.4
110.03653	0.5
110.06013	0.4
110.07215	0.8
110.08432	2.7
111.04462	1.7
111.08065	0.8
111.09202	2.2
111.98811	0.3
119.04949	1.3
120.02014	0.4
121.01659	1.0
121.02875	12.1
121.06480	3.3
121.07310	0.4
121.07583	0.3
121.10185	1.7
122.03631	1.2
122.07150	1.7
123.04429	25.2
123.08122	0.5
123.09195	0.9
124.05242	7.8
124.08723	0.9
125.05992	1.0
125.07085	0.4
125.08205	0.4
125.09696	0.4
126.05470	0.3
126.06571	0.5
131.08577	0.7
134.03633	1.5
135.04401	1.1
137.02377	0.4
137.05972	1.5
138.03090	0.5
139.02708	1.0
139.03886	2.0
139.07567	1.0
139.11133	0.4
144.03249	1.3
149.02347	1.2
149.05971	3.5
149.08290	0.5
149.09587	1.0
150.03084	0.3
150.06595	0.5
150.09146	0.5
150.10255	4.5
151.03915	4.6
152.04678	4.8
165.05505	0.4
167.03410	2.8
167.07039	100.0
167.12938	1.6
168.04250	0.7
168.07506	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	166.0862
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
50.01604	0.1
53.03946	0.2
56.65214	0.1
69.34482	0.4
69.34910	0.9
70.95677	0.1
71.13327	0.1
71.27065	0.1
77.03943	0.1
79.05496	1.3
89.41412	0.1
91.05462	0.7
93.07037	1.9
95.04950	0.4
103.05464	9.4
104.05788	0.2
107.04950	2.3
118.06557	0.2
120.08098	100.0
121.06535	0.2
121.08448	3.0
131.04919	2.4
149.05959	0.7
164.16780	0.1
166.08606	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Apocynin
Peak:m/z	Relative Intensity
51.02369	0.7
53.03938	2.0
55.01864	1.2
55.05499	1.8
56.96551	0.8
57.03424	0.7
57.07093	0.5
58.20435	0.5
58.96043	0.4
59.06111	0.9
64.42649	0.4
65.03943	1.6
66.04706	1.0
67.05503	2.6
69.03404	1.0
69.07047	1.4
69.29989	5.1
71.02760	0.4
71.05006	0.7
73.19614	0.5
78.04711	16.6
79.05066	0.8
79.05488	11.4
80.05011	0.6
80.05807	0.5
81.03407	1.8
81.07060	4.8
82.06576	0.8
83.04957	1.7
83.06104	0.6
83.08601	0.8
84.96029	1.0
85.02917	0.7
85.06567	0.5
91.05478	2.5
93.03392	0.7
93.07034	5.2
94.04173	1.4
95.04967	6.2
95.08598	2.4
96.05758	0.8
97.02858	0.7
97.06516	1.7
97.07690	0.6
102.94851	0.5
105.03383	1.4
105.04535	0.7
105.07005	1.3
106.04165	6.0
107.04967	7.2
107.08596	6.5
109.02888	2.1
109.06492	2.2
109.07631	2.6
109.10146	1.0
110.03609	0.5
110.07154	1.0
110.08424	0.6
111.04461	3.7
111.08065	1.7
111.09219	1.4
121.01672	4.0
121.02872	1.4
121.06495	2.4
121.08435	1.6
121.10134	4.3
122.03640	2.1
122.07127	1.7
123.04427	31.1
123.08054	1.0
123.11675	0.6
124.05226	10.4
124.08710	0.7
125.05973	1.6
125.08237	1.2
125.09667	0.8
126.05531	0.6
134.03650	1.6
135.04398	2.1
137.02275	1.3
137.05972	1.7
137.08148	0.5
138.03154	0.6
138.05496	0.9
139.02721	2.8
139.03867	2.0
139.07538	1.3
144.03210	3.7
149.02357	3.6
149.05943	0.9
149.08414	0.6
149.09634	1.9
149.13199	0.8
150.06610	0.6
150.10237	1.7
151.03902	5.7
152.04680	5.1
162.04326	1.3
167.03403	5.0
167.07039	100.0
167.10565	3.4
167.14343	1.7
168.04218	0.8
168.07417	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	165.1274
Annotation	Jasmone
Peak:m/z	Relative Intensity
51.02349	1.1
53.03931	2.8
54.03462	2.6
55.01851	3.2
55.05491	4.3
56.05014	4.1
56.96568	7.2
57.03422	3.9
57.07052	4.2
58.06586	2.6
59.04997	3.1
59.06099	1.6
65.03138	1.1
65.03925	5.1
67.05502	37.0
68.05037	6.1
68.99774	2.2
69.03429	9.2
69.04524	1.2
69.07072	7.8
70.06587	6.5
71.04968	2.1
71.59314	2.2
72.82206	1.2
75.38031	1.2
79.05054	1.5
79.05489	19.9
80.04996	5.2
81.03401	4.4
81.04514	4.6
81.07057	34.6
82.06559	5.4
83.04944	4.5
83.06102	9.5
83.08590	3.1
84.00529	1.2
85.07642	2.8
91.05479	48.6
92.05782	3.2
93.07049	13.1
95.04357	2.6
95.04965	51.4
95.06056	4.3
95.08607	28.2
95.99448	1.5
97.02844	1.4
97.06462	2.4
97.07646	4.0
98.07148	2.9
100.02444	1.7
101.00884	8.5
103.05450	4.6
105.03380	2.1
105.04488	1.5
105.07030	27.3
106.07333	2.2
107.04962	7.4
107.06071	6.4
107.08591	38.7
108.05667	2.3
108.08907	1.6
109.02856	1.4
109.06515	25.4
109.07639	3.4
109.10144	8.6
110.07206	5.3
111.09175	3.5
117.06974	4.5
119.01919	100.0
119.04935	43.0
119.08578	39.9
120.02033	6.3
120.05341	2.7
120.08119	10.3
120.08904	2.7
121.06459	3.5
121.07619	3.6
121.10140	10.1
122.03596	1.8
122.07185	8.7
122.56963	1.3
123.04436	8.9
123.08067	39.5
123.11695	23.6
124.02472	2.7
124.08734	11.8
125.09476	4.5
129.07014	2.0
132.05695	3.5
133.02832	4.0
133.06448	6.3
136.08748	2.8
137.02959	58.2
137.05956	17.1
137.09634	12.4
137.13242	6.6
137.98389	1.6
138.03052	5.7
138.06497	1.9
138.10229	5.1
141.09030	1.4
142.03496	62.8
142.96651	5.3
143.03596	6.9
147.04402	73.5
147.08043	21.4
147.11705	14.7
148.04747	5.3
148.07507	1.5
148.08659	10.9
160.04552	25.8
161.04700	3.2
165.01775	3.2
165.05487	12.6
165.07607	5.0
165.09084	22.8
165.11337	13.7
165.12726	83.4
166.04950	6.3
166.08539	1.7
166.09746	3.8
166.13066	6.5
179.02225	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	166.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.1
55.08113	0.1
56.60402	0.1
57.44608	0.1
67.45952	0.1
69.76966	0.1
70.83773	0.2
70.84126	0.2
73.66277	0.1
77.01915	0.1
79.05490	1.4
91.05483	0.8
93.07043	2.5
95.04945	0.4
98.03267	0.1
99.19819	0.1
103.05464	10.2
104.05778	0.3
107.04950	2.2
118.06534	0.2
120.08102	100.0
121.06522	0.3
121.08432	2.7
124.96787	0.1
127.20702	0.1
131.04916	2.5
135.04428	0.2
138.02989	0.1
139.03831	0.1
149.05991	0.8
166.08623	1.3
166.09906	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
53.80255	1.0
55.01849	5.0
55.02086	1.1
55.05511	9.0
56.05020	1.2
56.48631	1.1
56.96560	12.2
57.03435	6.9
57.07052	2.2
58.99860	1.1
65.03930	2.2
65.25034	1.0
67.05499	40.2
69.03414	7.0
69.07059	9.4
69.45837	1.2
71.04783	2.5
75.56770	1.2
79.05486	39.3
81.03394	2.8
81.07052	78.7
81.94975	1.1
83.04984	8.3
83.08607	1.8
85.05443	1.1
85.06527	6.1
91.05474	49.3
92.05801	1.8
93.06468	2.0
93.07035	40.1
93.07617	2.1
94.07368	1.3
95.04964	12.1
95.08594	26.6
97.02882	1.3
97.06532	10.5
100.02464	1.8
100.09335	1.1
101.00848	11.1
101.02561	3.5
102.00967	1.6
102.02241	2.3
103.05472	2.2
105.07020	68.6
106.07330	3.3
107.08586	23.4
109.06504	16.0
109.10146	6.2
117.06993	1.4
118.03502	1.5
119.01910	83.8
119.03583	3.6
119.04933	13.7
119.08571	56.6
120.02020	4.2
120.03236	2.4
120.08113	2.3
120.08887	2.3
121.10131	57.4
122.02946	1.5
122.10475	2.5
123.04415	1.9
123.08077	11.5
123.11700	11.6
124.02435	1.3
128.97871	1.7
130.06502	1.4
133.02811	2.9
134.04892	4.8
137.02953	40.9
137.05971	3.9
137.09593	5.0
137.13208	2.9
137.98337	3.5
138.03023	2.8
142.03488	53.3
142.04604	2.5
142.96684	4.9
143.03586	4.4
143.05414	11.6
145.10117	3.3
147.03253	1.3
147.04408	21.9
147.11673	100.0
148.12007	4.9
152.05873	1.5
160.04543	22.4
161.04732	1.4
165.01833	2.0
165.05247	4.7
165.07683	3.5
165.09097	5.6
165.12738	87.1
166.05028	1.7
166.13069	5.2
183.06023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1273
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03926	2.8
53.66176	0.9
55.01853	2.7
55.05504	9.4
56.05037	2.1
56.96540	4.4
57.03413	4.7
57.03658	0.9
57.07077	5.3
58.06591	1.6
58.98081	1.1
59.04985	3.6
59.06116	1.9
61.73217	0.9
65.03918	3.8
67.05498	42.6
68.05010	4.1
69.03112	1.1
69.03425	10.7
69.07062	11.7
70.06570	4.3
71.04964	2.1
71.59207	1.2
71.59570	1.2
72.76561	0.9
79.05482	20.9
80.05002	3.5
81.03388	4.7
81.04516	4.0
81.06574	1.9
81.07051	38.7
82.06564	4.1
83.04956	4.6
83.06091	6.5
83.08602	4.8
85.06522	1.3
85.07646	2.4
91.05475	42.4
92.05787	2.3
93.07037	14.4
94.06531	1.4
95.04962	56.5
95.06052	3.2
95.08601	32.2
96.04529	1.3
96.05244	1.4
97.02900	1.1
97.06536	2.2
97.07628	2.3
98.07176	1.5
99.05569	1.0
101.00861	6.7
103.05469	3.4
105.03331	1.2
105.04518	1.2
105.07020	28.6
106.06527	1.2
106.07310	1.9
107.04955	6.3
107.06046	3.8
107.08585	48.1
108.05663	2.4
108.08910	2.3
109.06512	33.7
109.07633	4.2
109.10155	7.9
110.06021	1.0
110.07249	2.9
111.09180	3.1
117.06995	4.3
119.01912	74.3
119.04934	31.3
119.08568	49.9
120.01997	4.7
120.08133	7.1
120.08871	1.5
121.06495	2.1
121.07605	4.0
121.09300	1.6
121.10131	16.3
122.07157	7.8
123.04428	4.9
123.08056	48.0
123.11692	28.2
124.02427	1.6
124.08737	6.8
124.12047	1.1
125.09473	2.1
128.97823	1.5
129.06992	2.3
132.05734	5.1
133.02814	3.5
133.06470	5.5
135.07954	1.0
136.08789	1.8
137.01976	2.2
137.02959	42.2
137.05960	12.0
137.09578	10.0
137.13268	6.2
137.98404	1.3
138.03056	2.4
138.06609	1.7
138.10179	2.2
142.03487	52.5
142.96677	3.3
143.03577	3.7
147.04395	55.1
147.08025	22.0
147.11670	14.6
148.04797	2.9
148.08653	6.8
149.49083	1.1
160.04549	22.4
161.01204	1.3
161.04683	2.2
165.01810	4.2
165.05472	10.2
165.07753	1.6
165.09079	18.9
165.11401	8.5
165.12729	100.0
166.04912	5.0
166.08537	1.5
166.09753	1.8
166.13084	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	165.1274
Annotation	Norecasantalal
Peak:m/z	Relative Intensity
53.03929	1.6
53.80255	1.0
55.01849	5.0
55.02086	1.1
55.05511	9.0
56.05020	1.2
56.48631	1.1
56.96560	12.2
57.03435	6.9
57.07052	2.2
58.99860	1.1
65.03930	2.2
65.25034	1.0
67.05499	40.2
69.03414	7.0
69.07059	9.4
69.45837	1.2
71.04783	2.5
75.56770	1.2
79.05486	39.3
81.03394	2.8
81.07052	78.7
81.94975	1.1
83.04984	8.3
83.08607	1.8
85.05443	1.1
85.06527	6.1
91.05474	49.3
92.05801	1.8
93.06468	2.0
93.07035	40.1
93.07617	2.1
94.07368	1.3
95.04964	12.1
95.08594	26.6
97.02882	1.3
97.06532	10.5
100.02464	1.8
100.09335	1.1
101.00848	11.1
101.02561	3.5
102.00967	1.6
102.02241	2.3
103.05472	2.2
105.07020	68.6
106.07330	3.3
107.08586	23.4
109.06504	16.0
109.10146	6.2
117.06993	1.4
118.03502	1.5
119.01910	83.8
119.03583	3.6
119.04933	13.7
119.08571	56.6
120.02020	4.2
120.03236	2.4
120.08113	2.3
120.08887	2.3
121.10131	57.4
122.02946	1.5
122.10475	2.5
123.04415	1.9
123.08077	11.5
123.11700	11.6
124.02435	1.3
128.97871	1.7
130.06502	1.4
133.02811	2.9
134.04892	4.8
137.02953	40.9
137.05971	3.9
137.09593	5.0
137.13208	2.9
137.98337	3.5
138.03023	2.8
142.03488	53.3
142.04604	2.5
142.96684	4.9
143.03586	4.4
143.05414	11.6
145.10117	3.3
147.03253	1.3
147.04408	21.9
147.11673	100.0
148.12007	4.9
152.05873	1.5
160.04543	22.4
161.04732	1.4
165.01833	2.0
165.05247	4.7
165.07683	3.5
165.09097	5.6
165.12738	87.1
166.05028	1.7
166.13069	5.2
183.06023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.091
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
52.27418	0.7
53.03933	2.8
53.78537	0.6
55.01870	5.6
55.05500	1.7
65.03933	1.7
67.05185	0.9
67.05497	6.9
68.05009	1.6
68.60529	0.9
69.03409	3.0
69.07060	1.3
70.34155	2.1
77.03916	1.1
77.95164	0.7
79.05051	1.3
79.05486	19.6
81.03416	7.6
81.04504	0.9
81.07047	4.5
82.06572	0.9
83.04981	7.4
83.06084	1.0
91.05474	17.2
93.03411	1.1
93.07053	4.5
94.04155	2.0
95.04956	10.1
95.08596	7.6
97.72747	0.9
101.00851	2.6
103.05467	9.9
105.07023	99.1
106.07351	3.5
107.04932	2.9
107.06071	1.1
107.08558	2.7
109.02863	3.0
109.06536	5.3
109.10152	11.9
110.07236	0.8
110.72329	0.8
111.04450	0.8
115.05441	1.4
117.06983	1.3
119.01919	18.0
119.04929	9.9
119.08574	15.4
120.02008	0.9
120.08917	1.0
121.06484	3.9
121.07668	1.3
122.03661	4.8
122.07270	6.1
123.04398	2.4
123.08047	13.7
124.05202	4.1
124.08668	1.4
129.06956	1.4
132.05687	1.5
133.06480	80.3
133.67062	0.8
134.06786	1.3
135.04439	1.1
137.03027	7.4
137.05969	70.4
137.09592	12.0
138.06310	1.6
138.10139	1.0
142.03488	11.7
147.04399	19.5
147.08035	9.6
148.04716	1.3
148.08617	1.4
150.06757	1.7
160.04529	4.6
165.05496	3.9
165.09097	100.0
165.11388	2.7
165.12732	1.9
166.09480	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	165.0546
Annotation	cis-3-coumaric acid
Peak:m/z	Relative Intensity
53.03931	1.1
55.01868	0.8
55.05503	1.0
56.05026	0.8
56.96556	1.5
58.71743	0.4
59.10590	0.4
65.03931	1.6
67.05502	3.4
68.99782	1.0
69.03413	1.4
69.07059	0.7
70.06602	0.9
70.80312	0.8
70.80653	0.6
71.04990	0.5
79.05495	3.0
79.95451	0.5
80.05010	0.4
81.03413	1.6
81.05770	0.6
81.07063	5.6
82.99860	0.5
83.04987	0.8
83.06136	0.7
91.05479	30.7
92.05813	0.9
93.07059	3.7
95.04971	4.8
95.08600	4.5
97.02926	0.5
97.06355	0.5
100.02485	1.1
101.00872	5.2
101.02581	1.3
103.05428	0.8
105.07027	4.0
107.04944	0.9
107.06081	0.9
107.08591	1.9
109.02843	0.6
109.06529	2.2
109.10165	3.7
110.07152	0.8
111.09222	0.6
117.06981	0.6
118.03516	1.2
119.01919	52.3
119.03562	1.5
119.04937	56.5
119.08549	4.4
120.01971	2.5
120.05262	0.9
120.08107	3.3
120.98813	0.4
121.07629	0.5
121.10124	2.1
122.07156	2.1
123.04453	2.9
123.06666	1.2
123.08043	2.8
123.11680	0.8
124.02470	1.3
124.08717	1.6
125.09435	0.6
128.97849	1.0
133.02763	2.6
137.02969	31.9
137.05981	3.0
137.09618	1.8
137.98364	0.7
138.03098	1.6
141.29178	0.5
142.03499	37.4
142.96700	2.0
143.03607	1.7
147.04404	100.0
147.08073	1.3
147.11682	2.9
148.04778	3.9
148.08687	1.2
160.04544	16.0
165.01860	3.1
165.05409	6.1
165.07733	2.7
165.09119	4.4
165.11333	1.8
165.12746	5.4
166.05048	1.4
166.08574	0.5
174.96628	0.5
183.06163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.88508	0.3
51.67336	0.3
52.63523	0.3
53.03948	0.5
53.31452	0.3
55.01884	0.3
55.05508	1.0
56.05041	0.5
56.96558	0.8
57.03434	0.3
59.06113	0.3
65.03945	1.9
67.05505	3.2
68.99777	0.4
69.03428	1.0
69.07070	0.9
69.27448	0.9
69.27860	2.7
70.06576	0.4
71.04990	0.5
73.94701	0.3
78.02121	0.4
79.05501	2.4
81.03430	0.4
81.04568	0.6
81.07053	3.8
83.01311	0.4
83.05015	0.4
83.06070	0.4
83.08611	0.4
85.30331	0.4
91.05479	28.3
92.05815	0.7
93.07039	2.1
95.04967	3.3
95.08606	3.5
97.07627	0.3
98.20769	0.7
99.59260	0.3
100.02500	0.8
101.00855	2.2
101.02583	0.6
103.05473	0.5
105.07017	3.7
106.85139	0.4
107.04959	0.7
107.06059	0.8
107.08591	1.6
108.07635	0.4
109.06475	1.7
109.10154	2.1
111.07375	0.3
118.03535	0.5
119.01925	26.8
119.04940	53.3
119.08578	3.9
119.95165	0.5
120.02012	1.2
120.05299	1.2
120.08085	0.9
121.06521	0.6
121.07564	0.4
121.10152	1.8
122.07185	0.8
123.04419	2.0
123.06693	0.7
123.08067	1.3
123.10017	1.4
123.11719	0.9
124.02401	0.5
124.08707	0.5
128.97801	0.5
133.02826	2.5
137.02968	13.8
137.04016	0.7
137.05975	2.3
137.09615	0.9
137.98337	0.7
138.03026	0.5
138.10271	0.4
142.03499	17.1
142.96686	1.2
143.03574	0.8
147.04405	100.0
147.11725	2.3
148.04778	3.2
148.08569	0.8
160.04550	7.6
161.04779	0.4
165.01846	1.2
165.05383	3.1
165.07011	2.8
165.07909	0.6
165.09006	3.0
165.11295	1.0
165.12746	3.8
166.04961	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0545
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.02364	0.3
53.03926	0.4
55.01856	1.0
56.05010	0.5
56.96556	0.3
59.06107	0.3
60.98028	0.2
65.03928	2.4
67.05495	4.7
68.05013	0.5
68.99770	0.5
69.03417	3.7
70.06554	0.4
74.37421	0.2
79.05479	2.6
81.03392	1.1
81.04515	0.4
81.07047	1.5
82.06571	0.4
83.04974	0.4
83.06094	0.8
83.48627	0.2
85.07673	0.3
86.11607	0.2
86.83659	0.2
91.05466	27.8
92.05792	0.6
93.07043	1.6
94.04190	0.7
95.04956	8.9
95.08593	1.7
97.07623	0.4
98.07150	0.3
101.00848	1.4
103.05436	0.3
105.03357	0.3
105.07020	3.7
107.04927	0.9
107.06058	1.1
107.08566	0.7
109.02823	0.8
109.06520	1.4
109.07619	0.5
109.10141	0.8
111.09145	0.5
112.11536	0.2
113.05981	0.9
119.01913	9.8
119.04922	55.7
119.08559	4.0
120.02080	0.4
120.05255	1.7
120.08103	0.6
121.06548	0.3
121.07580	0.5
121.10160	0.2
122.03636	0.7
122.07143	1.0
123.04412	5.9
123.08044	4.0
124.02447	0.3
124.08720	1.2
125.09456	0.4
127.03898	1.2
133.06464	0.7
136.08673	0.2
137.01970	0.3
137.02960	4.2
137.05959	8.5
137.09579	0.9
141.05469	0.7
142.03477	5.3
143.03540	0.4
147.04385	100.0
148.03812	0.3
148.04762	2.7
148.08701	1.2
160.04530	2.1
165.01768	0.8
165.05450	19.5
165.07646	0.8
165.09068	5.9
165.11211	1.4
165.12607	0.5
166.05913	0.4
183.02850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03943	0.3
55.01860	0.3
56.05018	0.5
64.33543	0.2
65.03922	1.6
67.05491	0.5
68.05007	0.4
69.03427	0.3
70.06577	0.6
70.86172	0.4
70.86507	0.4
79.05479	0.5
81.04525	0.5
81.07050	0.3
82.06540	0.4
83.06091	1.0
85.07655	0.4
91.05473	28.5
92.05806	0.4
93.07053	0.4
94.04096	0.2
95.04958	3.1
95.08592	0.5
97.07629	0.5
98.07139	0.3
101.00859	0.8
103.05450	0.5
103.76342	0.2
105.07025	0.9
107.06075	0.7
107.08597	0.3
109.06493	0.5
109.07637	0.6
109.10135	0.4
109.20000	0.2
119.01924	7.2
119.04930	55.3
119.08554	1.4
120.01984	0.5
120.05227	1.2
120.08076	0.4
121.07599	0.6
122.07188	0.9
123.04419	3.7
123.08029	0.8
124.08709	0.9
125.09468	0.3
128.14442	0.2
133.02824	0.3
137.02971	2.6
137.05968	1.0
137.09589	0.5
138.05643	0.3
138.10277	0.3
142.03502	4.7
142.96678	0.4
143.03494	0.3
147.04395	100.0
148.04749	3.0
148.08679	0.8
160.04555	1.7
165.05444	1.7
165.07733	0.5
165.09119	1.3
165.11340	1.4
165.12698	0.5
166.05034	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.00650	0.1
53.03944	0.2
62.30268	0.2
65.03928	1.7
67.05499	0.2
70.05764	0.3
70.06166	0.5
79.05506	0.2
81.07059	0.2
82.06596	0.2
91.05478	25.9
92.05800	0.7
93.07029	0.2
95.04971	2.0
98.21380	0.3
100.16714	0.2
101.00877	0.3
101.88206	0.1
103.05463	0.4
105.07034	0.8
109.06514	0.4
117.94247	0.1
119.01961	2.4
119.04938	52.9
120.05260	1.5
121.02877	1.0
123.04435	2.1
133.02826	0.2
133.06500	0.4
137.02925	1.0
137.05957	0.7
142.03497	1.1
142.96577	0.1
143.03745	0.2
147.04404	100.0
148.04730	2.5
151.18217	0.2
160.04526	0.5
165.05464	1.6
165.09131	0.3
166.05061	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.34717	0.3
71.01132	0.6
79.41217	0.3
82.99860	1.3
100.02483	0.9
101.00871	15.9
118.03551	0.6
118.42222	0.3
118.57249	0.3
119.01913	100.0
120.02000	3.6
124.02442	2.9
137.02945	40.9
138.03024	1.7
142.03490	55.2
143.03612	2.2
160.04552	21.7
161.04697	0.9
165.05061	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03917	0.3
54.03495	0.2
55.01864	0.3
55.05503	0.3
56.05025	0.8
56.96550	1.0
57.04554	0.2
58.06600	0.3
65.03944	1.5
67.05497	0.7
68.05023	1.7
68.99781	0.2
69.04534	0.4
70.06585	0.7
71.56896	0.4
79.05489	0.5
80.05023	0.6
81.03442	0.4
81.04552	1.6
81.07039	0.7
82.05307	0.3
82.06583	0.6
83.06095	2.3
83.93037	0.3
85.07677	0.9
91.05476	25.2
92.05796	0.6
93.07065	0.4
94.06567	0.3
95.04965	2.5
95.06085	0.7
95.08560	0.5
96.04520	0.2
97.07629	1.0
98.07166	0.8
98.76944	0.2
100.02506	0.2
101.00875	1.8
103.05437	0.4
104.67874	0.2
105.07057	0.5
107.04916	0.3
107.06062	1.1
107.08585	0.3
108.06901	0.5
109.06520	0.5
109.07636	1.1
109.10154	0.5
110.07145	0.7
117.90627	0.2
119.01921	19.0
119.04935	50.7
119.08542	1.1
120.01967	0.9
120.05237	1.1
120.08096	0.6
121.06559	0.3
121.07616	0.9
122.07191	1.2
123.04428	3.2
123.08050	0.6
124.02439	0.6
124.07890	0.2
124.08684	1.6
125.07133	0.2
125.09492	1.3
133.02805	1.0
136.08707	0.3
137.02954	10.5
137.05954	1.3
137.06914	0.2
137.09615	0.9
138.03056	0.4
138.10287	0.7
142.03491	11.2
142.96700	0.7
143.03644	0.4
147.04401	100.0
148.04753	2.8
148.08638	1.6
160.04538	5.4
161.04668	0.4
165.01819	0.7
165.05472	2.4
165.09138	1.4
165.11377	2.8
165.12715	0.3
166.04880	0.2
174.86418	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03935	1.0
55.01868	0.4
55.05507	6.1
55.19920	0.3
57.07069	1.2
65.03908	0.7
66.38292	0.3
67.05495	3.2
69.07065	19.3
69.65119	1.1
69.65545	1.4
70.07405	0.4
79.05485	12.8
81.07052	21.7
82.07341	0.4
83.08612	4.8
89.03925	0.5
91.05470	10.0
93.07037	32.9
94.07364	1.0
95.04944	2.1
95.08600	15.9
96.08902	0.6
97.31052	0.3
98.20813	0.5
103.05459	3.9
105.07026	7.2
107.04956	1.0
107.08587	100.0
108.08876	3.1
109.06491	3.3
109.10155	1.4
117.03303	0.4
117.06971	0.7
119.06038	0.9
119.08570	3.1
121.02943	0.4
121.06487	0.7
121.10136	31.6
122.10433	0.7
123.08048	0.4
130.07806	0.8
131.04919	4.2
135.04402	1.5
135.08061	0.4
135.11684	13.5
145.10141	2.4
163.03934	2.5
163.07515	1.4
163.09821	0.7
163.11171	5.3
163.14813	33.3
164.15137	1.4
164.20598	0.3
183.22092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.05510	5.9
57.03438	0.6
57.07077	0.7
65.03944	0.8
67.05508	3.9
69.07063	20.3
70.07374	0.6
77.03915	0.7
79.05491	14.9
80.47090	0.5
81.07056	21.8
83.08608	4.7
89.03913	0.9
91.05473	10.3
92.06265	0.6
93.07038	38.4
94.07362	1.0
95.04967	3.4
95.08601	18.5
96.08953	0.9
98.20708	1.4
103.05454	3.1
105.07018	7.4
107.04948	1.7
107.08586	100.0
108.08886	3.3
109.06508	3.1
109.10162	1.3
117.07033	0.8
119.06050	0.5
119.07761	0.6
119.08548	3.0
121.06520	0.8
121.10138	31.8
122.10475	0.6
131.04958	3.4
133.02835	0.9
135.04448	1.2
135.11678	15.2
145.10107	1.8
163.03859	3.7
163.07545	2.4
163.09821	1.1
163.11159	7.7
163.14807	42.3
164.15149	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02386	0.8
53.03951	2.3
54.03474	0.8
55.01871	1.2
55.05515	3.0
56.96567	1.1
57.07081	0.9
61.79146	0.4
62.01609	0.5
63.02379	1.7
63.71973	0.3
64.60308	0.4
65.03934	1.6
67.05506	1.7
68.99801	0.8
69.03432	9.2
69.07069	3.2
71.04987	1.1
71.59780	0.6
75.80321	0.4
77.03943	1.6
78.95296	0.6
79.01846	0.4
79.05493	19.4
80.05030	0.4
80.05837	0.7
81.03427	0.6
81.04537	1.2
81.07056	6.2
82.05331	0.7
83.04972	0.4
83.06138	0.6
83.08627	1.0
89.03917	59.7
90.04265	2.2
91.05484	13.2
92.02625	0.5
92.05796	0.4
93.07044	47.2
94.07368	1.2
95.04358	0.5
95.04971	10.6
95.06041	1.9
95.08596	3.6
96.06905	0.5
97.07661	0.6
100.02476	4.9
103.05470	39.2
104.05797	0.9
105.03399	2.0
105.04523	1.8
105.07030	11.3
106.06606	0.7
106.07329	0.6
107.04957	18.8
107.06118	0.9
107.08594	28.8
108.05546	0.5
108.08924	0.5
109.06495	1.0
109.07655	0.6
115.05472	1.4
117.03379	46.7
117.07021	4.5
118.03551	4.2
119.04942	1.3
119.06011	0.6
119.08577	5.5
119.97933	0.6
120.08080	0.4
121.02882	1.3
121.06514	5.4
121.10149	8.6
121.11562	0.4
122.07143	2.3
122.09652	1.1
123.07964	1.6
129.07039	0.6
130.06638	0.9
130.07793	2.8
131.04929	43.7
132.04430	2.5
132.05319	2.1
132.08095	1.7
133.02864	3.8
133.06520	0.7
135.04417	100.0
135.08000	2.9
135.10686	0.5
135.11694	8.7
136.04739	4.2
136.07585	0.5
136.08705	1.2
143.08551	0.8
145.02852	35.0
145.03870	1.6
145.06490	1.4
145.10124	25.4
146.03224	1.4
146.06078	0.4
146.07146	0.9
146.10477	1.2
148.05214	0.6
148.08916	0.4
158.06105	0.5
163.03908	90.1
163.07547	15.7
163.09868	3.8
163.11166	66.3
163.14812	5.8
164.04323	4.3
164.06924	0.9
164.08105	0.9
164.11760	1.9
177.91156	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.3
53.03934	4.9
53.20274	1.2
54.03433	1.4
55.01863	1.9
55.05261	1.5
55.05507	24.4
57.07072	63.7
65.03929	1.8
67.05482	2.4
68.05008	2.8
69.03418	2.9
69.07052	5.8
69.66228	8.5
77.03902	1.4
79.05491	19.4
81.03416	1.7
81.07053	7.7
83.08625	6.7
89.03905	15.3
89.06028	43.9
90.04253	1.4
91.05479	17.8
93.07034	17.9
95.04433	1.5
95.04968	14.9
95.06081	4.9
95.08584	4.9
95.23086	1.2
97.07635	2.0
98.21490	1.4
100.02473	4.4
101.09632	4.2
103.05460	89.9
104.05774	3.4
105.03365	3.4
105.04499	1.7
105.07027	11.5
107.04952	40.3
107.07047	6.2
107.08585	32.4
108.05527	1.7
109.06494	1.5
115.05444	4.3
117.03344	12.4
117.05698	2.0
117.06966	6.9
118.03529	3.9
119.04906	2.9
119.08594	7.6
120.05641	3.3
121.02866	10.2
121.06479	6.4
121.10130	13.6
122.07103	6.8
123.07970	3.4
130.06502	2.7
130.07771	2.0
131.04919	100.0
132.05261	1.6
132.08115	2.8
133.02841	8.0
133.06462	2.7
135.03375	2.5
135.04407	42.3
135.07993	7.7
135.11708	7.7
136.04761	1.9
136.07599	3.2
136.08673	5.2
145.02847	5.8
145.03931	2.8
145.06474	3.6
145.10103	11.3
146.07072	1.7
163.03889	69.1
163.07536	38.7
163.09776	9.5
163.11169	25.0
163.14832	11.6
164.04286	2.1
164.06892	1.8
164.08118	2.4
181.02936	1.7
184.83989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03935	4.4
55.01872	6.1
55.05510	8.4
56.96547	2.9
57.03415	1.6
60.64564	0.7
65.03922	3.7
67.05502	11.2
68.05011	1.4
69.03429	4.1
69.07067	10.1
70.64124	1.7
70.64455	1.5
71.04973	2.4
73.86750	0.8
77.03920	1.8
79.05489	46.6
80.05002	1.4
80.05782	1.0
81.03400	2.2
81.04505	3.0
81.07051	50.6
82.05305	1.2
83.04946	2.2
83.06083	1.0
83.08610	2.4
83.17461	0.8
85.02905	1.7
89.03405	0.9
89.03915	14.9
91.05476	30.6
92.02592	1.2
93.03385	0.8
93.07040	68.6
94.07369	1.1
95.04966	21.3
95.06034	4.7
95.08605	11.0
96.06839	1.0
97.06461	1.1
97.07624	2.2
100.02479	3.9
103.05461	57.6
104.05775	1.4
105.03385	2.2
105.04496	3.3
105.07023	29.3
106.06531	1.3
106.07271	1.1
107.04948	27.3
107.06074	2.1
107.08588	68.8
108.05549	3.4
108.08141	0.9
108.08918	1.2
109.06502	13.1
109.07623	1.3
115.05422	3.9
117.03371	10.8
117.05709	0.9
117.06999	15.7
117.61990	0.8
118.03516	3.7
119.04907	2.1
119.06055	1.9
119.08574	27.0
120.05630	2.3
120.97881	0.9
121.02834	2.9
121.06507	9.5
121.10135	62.4
122.07180	8.2
122.10480	1.6
123.07998	5.2
127.07556	12.5
128.06209	1.2
129.06998	1.2
130.06512	1.1
130.07780	8.7
131.04921	59.4
132.05260	1.7
132.08061	2.1
133.02852	8.4
133.06462	2.0
133.10057	1.0
134.07217	1.2
135.04411	43.7
135.08040	10.4
135.10684	1.1
135.11688	21.2
136.04713	1.3
136.07533	3.5
136.08641	4.6
136.11974	1.2
143.08537	2.5
145.02872	5.7
145.03879	1.2
145.06493	4.3
145.10118	63.4
146.07095	1.9
146.10388	3.0
147.08034	1.8
148.05099	1.7
148.07646	0.8
148.08807	3.2
150.06157	1.6
163.03902	61.2
163.07552	28.9
163.09784	11.3
163.11150	100.0
163.14795	19.4
164.04381	1.7
164.07021	3.6
164.11520	2.5
181.02834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0752
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01597	0.3
51.02372	0.4
53.03940	1.8
54.03468	0.3
55.01863	0.9
55.05506	1.3
56.96553	0.5
60.24649	0.3
63.92926	0.4
65.03937	0.5
67.05488	1.2
68.05030	0.6
68.99780	0.3
69.03420	1.0
69.07071	2.3
69.47202	2.5
73.02917	0.3
77.03895	0.5
79.05484	6.6
80.05005	0.5
81.03411	0.6
81.04532	1.2
81.07047	2.8
83.04985	0.3
83.06094	0.4
83.08606	0.8
84.08116	0.3
89.03909	3.8
91.05479	5.3
92.05847	0.3
93.04514	0.3
93.07040	5.4
95.04963	5.2
95.06100	1.5
95.08610	2.4
97.07645	0.7
100.02450	1.7
102.04649	0.4
103.05459	99.1
104.05792	3.7
105.03396	0.9
105.04487	1.5
105.07014	4.1
106.06535	0.8
107.04943	15.9
107.06085	0.9
107.08583	10.1
107.09150	0.2
108.05544	0.7
109.06482	0.4
109.07619	0.6
115.05448	2.5
117.03365	2.5
117.07007	3.4
118.03521	1.5
119.04912	0.8
119.06094	0.4
119.08581	1.5
120.05661	1.3
121.02843	2.0
121.06473	1.8
121.10133	5.2
122.07150	2.3
123.07961	1.3
127.07664	0.3
130.06512	1.1
130.07796	0.8
131.04916	100.0
132.05228	3.4
132.08081	0.8
133.02831	2.8
133.06473	0.5
135.04404	9.5
135.08040	4.5
135.11684	1.8
136.04782	0.4
136.07602	0.6
136.08678	1.6
137.05975	0.5
145.02834	2.4
145.03906	0.6
145.06462	2.3
145.07535	0.4
145.10139	2.7
146.07088	0.8
147.04276	0.5
148.05096	0.5
148.07491	0.4
148.08791	0.4
153.47240	0.3
158.96361	0.3
163.03889	19.8
163.07532	24.1
163.09773	4.1
163.11174	6.0
163.12337	0.6
163.14798	3.7
164.04277	0.8
164.06894	0.6
164.08127	0.5
164.10634	0.4
164.14345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
55.01872	6.1
55.05510	8.4
56.96547	2.9
57.03415	1.6
60.64564	0.7
65.03922	3.7
67.05502	11.2
68.05011	1.4
69.03429	4.1
69.07067	10.1
70.64124	1.7
70.64455	1.5
71.04973	2.4
73.86750	0.8
77.03920	1.8
79.05489	46.6
80.05002	1.4
80.05782	1.0
81.03400	2.2
81.04505	3.0
81.07051	50.6
82.05305	1.2
83.04946	2.2
83.06083	1.0
83.08610	2.4
83.17461	0.8
85.02905	1.7
89.03405	0.9
89.03915	14.9
91.05476	30.6
92.02592	1.2
93.03385	0.8
93.07040	68.6
94.07369	1.1
95.04966	21.3
95.06034	4.7
95.08605	11.0
96.06839	1.0
97.06461	1.1
97.07624	2.2
100.02479	3.9
103.05461	57.6
104.05775	1.4
105.03385	2.2
105.04496	3.3
105.07023	29.3
106.06531	1.3
106.07271	1.1
107.04948	27.3
107.06074	2.1
107.08588	68.8
108.05549	3.4
108.08141	0.9
108.08918	1.2
109.06502	13.1
109.07623	1.3
115.05422	3.9
117.03371	10.8
117.05709	0.9
117.06999	15.7
117.61990	0.8
118.03516	3.7
119.04907	2.1
119.06055	1.9
119.08574	27.0
120.05630	2.3
120.97881	0.9
121.02834	2.9
121.06507	9.5
121.10135	62.4
122.07180	8.2
122.10480	1.6
123.07998	5.2
127.07556	12.5
128.06209	1.2
129.06998	1.2
130.06512	1.1
130.07780	8.7
131.04921	59.4
132.05260	1.7
132.08061	2.1
133.02852	8.4
133.06462	2.0
133.10057	1.0
134.07217	1.2
135.04411	43.7
135.08040	10.4
135.10684	1.1
135.11688	21.2
136.04713	1.3
136.07533	3.5
136.08641	4.6
136.11974	1.2
143.08537	2.5
145.02872	5.7
145.03879	1.2
145.06493	4.3
145.10118	63.4
146.07095	1.9
146.10388	3.0
147.08034	1.8
148.05099	1.7
148.07646	0.8
148.08807	3.2
150.06157	1.6
163.03902	61.2
163.07552	28.9
163.09784	11.3
163.11150	100.0
163.14795	19.4
164.04381	1.7
164.07021	3.6
164.11520	2.5
181.02834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.01611	0.4
50.03642	0.3
51.02374	0.7
53.03943	1.6
54.03481	0.4
55.01868	0.9
55.05507	0.6
56.47975	0.4
56.96555	0.5
58.88836	0.3
63.02372	0.9
65.03913	0.6
66.84643	0.4
67.05489	1.4
68.05034	0.9
69.03417	0.7
69.07067	1.0
70.93169	1.0
77.03883	0.5
77.75695	0.3
79.05492	8.6
80.05048	0.4
81.03409	0.8
81.04538	1.4
81.07044	1.3
83.06091	0.6
89.03915	25.9
90.04266	0.9
91.05478	4.7
92.02631	0.6
92.04989	0.4
93.07032	3.9
95.04957	5.6
95.06046	1.7
95.08626	0.7
96.06902	0.6
97.07677	0.7
100.02486	1.0
102.04669	0.6
103.05463	89.3
104.05045	0.7
104.05778	3.5
105.03398	1.5
105.04502	1.4
105.07028	4.0
106.06551	0.5
107.04951	12.2
107.06100	1.1
107.08581	4.5
108.05547	1.2
109.06484	0.4
109.07629	0.8
110.77294	0.3
115.05437	1.1
117.03373	18.1
117.06991	3.4
118.03574	1.1
119.04973	0.7
119.06068	0.9
119.08576	2.2
120.05647	0.9
121.02853	0.3
121.05255	0.5
121.06496	2.0
121.10151	2.5
122.07146	3.0
123.07950	1.5
130.06505	0.6
130.07767	0.8
131.04921	100.0
132.04422	3.2
132.05292	3.2
132.08052	0.7
133.02867	2.5
133.06487	0.5
135.04410	40.2
135.08032	3.8
135.11713	1.6
136.04750	1.2
136.07632	0.6
136.08621	2.6
137.05843	0.3
137.07071	0.3
145.02841	14.0
145.03914	0.7
145.06473	1.1
145.10110	3.0
146.03163	0.6
146.07091	0.7
148.05148	0.7
149.04710	1.6
150.05515	3.1
163.03897	37.8
163.07539	32.5
163.09781	4.7
163.11174	5.4
163.12317	0.7
163.14847	1.0
164.04388	2.1
164.06801	1.7
164.08081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
51.02372	0.4
53.03940	1.7
55.01871	0.7
60.77932	0.4
63.02380	1.4
65.03940	0.7
67.05507	0.5
68.05035	0.5
69.03439	0.5
70.13123	2.3
73.34251	0.4
77.03937	0.5
79.05054	0.7
79.05492	10.8
80.05050	0.5
81.03416	0.5
81.04539	0.9
81.07052	0.7
81.63178	0.5
82.05286	0.4
83.06096	0.6
83.28480	0.5
84.85476	0.4
89.03914	69.5
90.04263	1.4
91.05490	1.7
93.07095	0.8
94.08521	0.4
95.04951	4.8
95.06031	0.9
95.21484	0.4
103.05469	3.6
105.04499	1.0
105.07028	1.0
107.04950	15.9
107.06069	0.8
107.08599	1.4
109.07677	0.4
117.03375	54.2
117.07030	1.0
118.03693	1.4
119.04966	0.6
119.55497	0.4
121.10090	0.5
122.07182	1.0
123.07979	0.9
131.04927	3.1
132.08095	0.7
133.02837	1.3
135.04411	100.0
136.04758	2.9
136.08720	1.0
139.01837	0.5
145.02840	36.7
145.03864	1.8
146.03172	0.7
146.07129	0.6
163.03900	76.6
163.07532	2.2
163.09805	3.2
163.11142	1.6
163.12338	0.6
163.14867	0.5
164.04327	2.5
181.02910	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0753
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
50.76731	0.3
51.02380	0.5
53.03938	0.9
53.68147	0.2
54.03475	0.4
55.05476	0.4
56.96555	0.5
64.38631	0.2
67.05503	0.6
68.05016	0.3
69.03420	0.4
69.07063	1.0
71.04951	0.2
71.59618	0.4
71.59991	0.3
77.03899	0.5
79.05491	3.6
80.05044	0.3
81.03427	0.3
81.04553	0.7
81.07066	1.5
82.01422	0.3
82.05335	0.3
83.06113	0.3
83.08611	0.3
89.03920	5.6
91.05483	1.9
93.07039	2.4
95.04968	3.0
95.06071	0.7
95.08613	1.4
96.06873	0.3
97.07636	0.6
100.02489	1.3
102.04635	0.4
103.05464	80.7
104.05793	2.8
105.03386	0.8
105.04517	0.9
105.07018	1.5
107.04947	3.8
107.06072	0.3
107.08588	5.2
108.05595	0.4
109.06499	0.4
109.07639	0.4
115.05479	0.4
117.03373	4.7
117.07006	1.1
118.03505	1.3
119.04955	0.5
119.06022	0.3
119.08572	0.7
120.05630	0.6
121.02854	0.8
121.06493	1.1
121.10151	2.7
122.07147	1.4
123.07954	0.7
130.06517	0.6
131.04922	100.0
132.05238	4.1
132.08076	0.8
133.02858	1.4
135.04417	10.0
135.08011	1.5
135.11670	1.1
136.04767	0.6
136.07590	0.3
136.08650	0.5
145.02856	3.3
145.03876	0.5
145.06450	0.8
145.10112	1.4
146.07103	0.4
148.05116	0.3
158.96307	0.3
163.03903	16.5
163.07536	41.6
163.09782	2.3
163.11162	3.3
163.14793	2.3
163.48810	0.3
164.04291	0.7
164.07959	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	163.0389
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
52.06409	0.5
53.03944	2.2
54.38966	0.4
55.01850	0.6
55.05508	1.1
57.07070	0.5
63.02378	2.1
63.04705	0.4
67.05507	0.8
68.45321	0.5
69.03425	2.6
69.07066	0.8
70.48971	0.4
70.93861	0.6
70.94173	0.8
77.03884	0.4
79.05492	14.8
81.07050	2.2
82.05314	0.4
89.03912	70.5
90.04250	2.2
91.05481	4.4
93.07040	12.3
95.04961	6.1
95.06034	0.5
95.08607	1.9
97.07628	0.6
100.02491	1.3
103.05460	18.2
105.03385	0.7
105.04489	1.1
105.07016	2.5
107.04949	17.0
107.08583	7.5
117.03373	51.3
117.07004	1.6
118.03617	2.0
119.08587	1.8
121.02850	0.7
121.06515	1.5
121.10141	3.6
122.07112	0.6
123.07935	0.8
130.07739	1.1
131.04918	20.1
132.04390	0.8
132.08025	0.6
133.02847	2.0
135.04410	100.0
135.08051	1.7
135.11684	2.0
136.04774	2.7
136.08673	1.0
145.02840	38.5
145.03841	1.6
145.10115	5.3
146.03197	1.2
146.07259	0.6
154.18378	0.5
158.06087	0.6
163.03897	83.7
163.07521	7.9
163.09830	1.0
163.11159	16.7
163.12520	0.8
163.14767	3.2
164.04263	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	161.1324
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03928	1.5
55.05505	9.6
57.52552	0.8
67.05502	6.2
69.03446	0.8
69.07061	7.4
71.59914	1.0
78.93125	1.4
79.05488	10.7
81.07049	16.0
83.42758	0.7
85.02877	0.8
91.05471	38.3
93.07036	12.0
95.04980	2.4
95.08606	2.2
102.09235	0.8
103.05448	3.5
105.07018	90.7
106.07346	2.4
107.08601	5.8
115.05453	2.4
117.07008	14.7
118.07809	1.4
119.08569	100.0
119.95730	1.2
120.06590	0.8
120.08913	2.5
121.10118	1.0
128.06212	1.3
131.08551	7.0
132.09363	3.7
133.06499	3.3
133.10117	41.0
134.10458	0.9
137.96780	1.6
143.08524	1.6
145.10182	0.8
146.03636	1.4
146.07237	1.0
146.10916	2.6
149.89296	0.7
159.11647	2.6
161.05936	2.9
161.07146	1.0
161.09641	8.3
161.13240	69.7
162.05518	2.2
162.13568	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	161.9802
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.6
71.58416	3.0
72.08144	1.7
87.46395	1.4
102.00998	1.4
102.96863	1.4
108.45361	1.5
110.02254	1.7
119.01900	7.3
120.01996	23.2
120.97946	1.5
121.01665	11.1
126.01712	2.6
126.51586	2.4
129.63347	1.5
133.51735	2.4
134.01556	2.6
137.02956	4.7
138.03036	11.2
138.96413	3.2
139.02728	5.6
144.03238	2.0
145.02538	1.7
147.52199	1.4
153.10555	1.2
155.00714	2.0
156.52122	1.4
156.97479	66.7
157.97513	3.4
162.01537	1.3
162.04329	2.7
165.98033	1.7
172.19330	1.6
174.98535	100.0
175.98665	4.4
177.01109	1.3
177.02589	1.5
178.01067	2.2
179.00752	3.7
179.99068	23.1
180.99373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0761
Annotation	L-Glutamate methylester
Peak:m/z	Relative Intensity
53.03953	0.7
54.71328	0.4
55.01878	0.5
55.05509	6.4
56.05032	20.2
56.96561	4.1
57.03425	2.3
58.06602	2.4
59.05011	0.6
60.03856	0.4
60.04514	0.4
60.08152	0.6
61.02927	0.7
66.92583	0.4
69.03408	2.4
70.06603	0.9
71.04987	1.2
71.58643	0.9
72.04501	1.4
72.08150	0.6
73.02900	0.9
73.06557	4.8
74.06075	15.1
74.62421	0.4
76.07666	0.5
79.05473	2.0
81.03411	1.0
81.07053	1.3
84.04501	100.0
84.08134	5.6
85.02897	3.7
85.04823	1.3
86.03737	0.4
86.06043	0.8
87.04581	0.4
87.06363	0.4
88.07611	0.9
89.03916	3.8
90.05552	3.9
91.05462	1.6
95.01306	0.8
95.04970	1.2
96.04490	0.5
97.02928	0.5
98.06055	3.0
98.09692	1.7
98.97601	1.0
99.04455	1.6
99.98499	0.4
100.07619	0.8
101.02367	0.4
102.04852	0.6
102.05537	9.7
102.09177	13.3
103.03955	1.7
103.05453	0.9
106.06583	0.7
107.04939	4.6
107.08584	0.5
108.08119	0.8
109.02907	0.6
113.02374	0.8
116.07086	34.9
116.10732	1.1
116.98636	0.6
117.03361	2.4
118.03549	0.4
118.08654	0.7
120.02041	1.3
120.03283	0.8
120.06570	11.3
120.97885	0.6
121.01597	0.9
126.09203	0.9
127.01540	0.5
128.02298	0.5
130.02151	0.4
130.05003	13.4
130.05942	0.8
131.04912	1.0
134.05995	1.0
134.99719	0.5
135.04410	11.9
135.05406	0.8
135.07957	0.4
138.03102	0.7
144.06567	1.4
144.10179	1.3
145.02859	1.3
145.04951	5.1
156.97485	0.6
157.03474	2.7
162.04213	0.8
162.05495	4.4
162.07675	3.1
162.09035	0.7
162.11253	9.0
163.03897	9.3
163.07588	0.7
167.02238	0.5
174.98572	1.1
175.04550	0.5
180.39442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01862	2.2
55.05495	1.8
56.96562	1.0
58.99578	1.8
59.06116	0.5
60.04517	0.6
65.03904	0.5
67.05482	0.6
69.03125	0.6
69.03436	5.9
69.07062	1.3
71.39239	1.0
74.06068	0.5
77.03925	0.6
79.05489	3.6
81.07052	0.8
86.99033	0.9
91.05476	11.0
93.04555	0.6
93.07042	3.9
95.04974	0.9
103.05449	1.7
105.03389	0.6
105.07030	44.9
106.07345	1.8
107.04965	1.1
107.08642	0.8
114.57547	0.5
115.05468	5.0
116.01646	1.3
117.07027	3.2
118.04153	1.3
118.07836	0.9
118.66693	0.5
119.01888	1.1
119.04942	0.9
119.08581	30.0
120.05585	1.5
120.08904	1.3
121.06467	5.0
128.06224	12.9
131.04947	5.2
131.08566	5.4
133.06541	4.1
133.10126	51.8
134.06001	2.3
134.07135	1.6
134.10480	1.8
137.03003	0.7
141.06866	0.5
143.08556	18.7
144.08896	0.8
145.06491	3.1
146.03632	1.2
146.07266	27.2
147.07922	1.5
153.43811	0.6
155.06010	0.8
159.08124	0.6
161.06078	7.6
161.09613	100.0
161.13237	7.8
162.05496	2.0
162.10025	4.3
182.37563	0.5
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
53.03936	0.6
55.01865	0.5
55.05509	6.2
55.75558	0.2
56.99906	0.2
65.03925	0.3
67.05515	0.5
69.07063	2.4
69.31165	0.7
69.31577	1.4
77.03889	0.3
79.05491	2.8
81.07063	1.3
82.56649	0.2
89.03935	0.2
90.04704	0.3
91.05472	9.0
92.05788	0.3
93.04544	0.2
93.07044	2.3
95.04940	0.8
97.10154	0.2
97.33842	0.2
103.05460	2.4
104.05188	0.2
104.06236	0.4
105.07025	20.4
106.07328	0.5
107.04960	0.2
107.06069	0.2
107.08581	1.1
112.91310	0.2
113.02365	0.2
115.05438	2.2
117.07013	3.4
118.04152	2.6
118.07810	0.4
119.08572	100.0
120.05606	0.2
120.08881	2.8
121.06428	0.6
121.10149	2.7
128.06230	0.3
129.07045	0.2
130.07799	0.3
131.04898	1.2
131.08557	2.7
133.06476	3.1
133.10121	19.8
134.07068	0.5
134.10461	0.7
140.87366	0.2
143.04912	0.4
143.08569	0.2
145.10146	0.5
146.03616	0.9
146.07233	0.6
146.10876	0.9
147.04417	0.3
159.11707	0.8
161.05975	11.7
161.08206	0.5
161.09569	3.3
161.13248	19.2
162.06432	0.5
162.13608	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.2
57.25214	0.1
58.99863	0.2
60.95834	0.2
71.17671	0.3
72.56154	0.1
74.74820	0.1
82.99812	0.7
98.97569	0.2
100.02466	0.2
101.00867	10.2
102.00915	0.7
102.96865	0.3
103.00624	0.2
103.02450	0.2
116.98636	0.3
118.03531	0.5
119.01910	100.0
120.01995	7.8
120.97867	0.6
121.01629	1.2
121.02422	0.5
125.02543	0.1
130.80887	0.1
133.03404	0.2
133.98091	0.1
134.99612	0.3
136.04561	0.3
137.02943	52.8
138.03035	3.9
138.98940	0.3
139.02699	0.4
142.03487	2.3
143.01982	0.2
143.03639	2.7
144.03212	0.9
145.48862	0.3
154.49393	0.1
156.97467	1.1
156.99939	0.1
160.04543	0.7
161.02948	3.4
161.04637	2.8
161.09421	0.1
162.03104	0.2
162.04247	1.0
174.98514	1.4
179.04005	6.8
179.05656	1.3
179.99062	0.3
180.04068	0.3
180.05385	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
53.03947	1.1
55.01872	2.4
55.05510	2.8
56.96555	0.6
57.41878	0.3
66.04713	0.6
67.05502	0.8
69.03423	0.6
69.07065	3.3
70.13184	1.4
77.03922	0.6
78.93137	0.5
79.05488	10.9
81.02470	0.3
81.03465	0.3
81.07055	2.4
89.03935	0.8
90.04703	2.4
91.05476	10.0
93.04529	0.8
93.07043	2.5
95.04967	4.0
95.08623	0.9
102.04682	0.9
103.05465	12.0
103.06135	0.7
104.06285	0.5
105.07026	55.0
106.07345	1.5
107.04943	1.4
107.06034	0.4
107.08598	0.9
115.05447	10.2
115.43969	0.3
116.05688	0.4
117.07019	2.3
118.04153	23.3
119.01980	0.4
119.05013	0.6
119.08574	28.4
120.05612	1.2
120.08876	0.4
121.06442	3.5
121.10192	1.6
128.06200	2.6
129.06998	1.6
130.04140	0.4
130.07817	0.6
131.04924	11.3
131.08548	3.1
132.05659	1.0
132.09328	0.5
133.06488	16.8
133.10121	19.6
134.06020	0.3
134.07079	1.5
136.43265	0.3
137.78360	0.4
143.04947	0.8
143.06062	0.8
143.08551	2.7
144.05603	0.5
145.06512	1.6
145.10088	0.7
146.02452	0.7
146.03619	11.2
146.07266	5.5
146.10939	1.2
147.04332	0.6
159.11726	0.8
161.05974	100.0
161.09586	26.6
161.13239	23.1
161.15211	0.4
162.06454	3.5
162.08966	0.7
162.10126	0.8
162.13638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01862	2.2
55.05495	1.8
56.96562	1.0
58.99578	1.8
59.06116	0.5
60.04517	0.6
65.03904	0.5
67.05482	0.6
69.03125	0.6
69.03436	5.9
69.07062	1.3
71.39239	1.0
74.06068	0.5
77.03925	0.6
79.05489	3.6
81.07052	0.8
86.99033	0.9
91.05476	11.0
93.04555	0.6
93.07042	3.9
95.04974	0.9
103.05449	1.7
105.03389	0.6
105.07030	44.9
106.07345	1.8
107.04965	1.1
107.08642	0.8
114.57547	0.5
115.05468	5.0
116.01646	1.3
117.07027	3.2
118.04153	1.3
118.07836	0.9
118.66693	0.5
119.01888	1.1
119.04942	0.9
119.08581	30.0
120.05585	1.5
120.08904	1.3
121.06467	5.0
128.06224	12.9
131.04947	5.2
131.08566	5.4
133.06541	4.1
133.10126	51.8
134.06001	2.3
134.07135	1.6
134.10480	1.8
137.03003	0.7
141.06866	0.5
143.08556	18.7
144.08896	0.8
145.06491	3.1
146.03632	1.2
146.07266	27.2
147.07922	1.5
153.43811	0.6
155.06010	0.8
159.08124	0.6
161.06078	7.6
161.09613	100.0
161.13237	7.8
162.05496	2.0
162.10025	4.3
182.37563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.43437	0.3
52.27203	0.3
53.03951	0.3
55.05516	0.8
56.96559	3.6
57.03439	0.6
59.93113	1.0
60.95842	0.4
66.33157	0.3
67.05504	3.2
70.75228	0.6
70.75596	0.7
76.93360	5.3
79.05489	1.9
81.07056	1.2
91.05476	17.3
92.05827	0.7
93.07045	1.2
94.94399	2.1
95.02566	0.4
95.04923	0.4
98.97567	1.1
103.05491	1.3
104.03082	0.5
105.07026	21.8
106.07394	0.8
112.95490	0.4
113.02334	0.4
115.05441	6.1
116.06233	3.0
116.98611	1.6
117.07012	35.0
117.95968	3.9
118.06584	0.4
118.07356	1.2
118.96774	0.8
119.08577	10.4
120.08934	0.4
123.53131	0.3
123.59486	0.3
124.01542	0.3
128.06229	1.4
129.06999	21.4
130.07793	21.4
131.08562	87.3
132.08000	0.6
132.08888	4.2
134.99657	1.9
135.05653	0.4
135.55830	0.7
135.96991	3.4
135.99998	0.3
139.68207	0.3
141.01852	1.0
141.06982	0.6
142.07764	2.1
143.08499	1.7
144.09335	23.3
145.09647	0.8
153.00700	0.3
157.10127	4.0
158.98672	0.4
159.08217	1.6
159.11679	100.0
160.12025	6.0
164.04250	0.4
173.97522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.4
56.96558	0.5
59.06118	1.2
59.93126	0.5
60.04512	0.3
71.57998	0.7
80.54475	0.3
82.99866	0.7
84.04507	0.4
98.97585	0.4
100.02493	0.9
101.00875	10.4
102.05574	0.3
116.98591	0.8
117.98949	0.4
118.01664	0.3
118.03525	7.6
118.96783	1.4
119.01920	100.0
120.02031	2.3
120.03279	0.8
121.01652	2.0
121.02371	0.4
124.02423	1.9
124.13349	0.3
134.99657	0.5
135.96167	0.3
136.02759	2.6
136.04555	8.1
137.02960	49.0
138.03090	1.3
138.04272	0.5
139.02690	1.0
141.88390	0.3
142.03497	39.2
143.03705	1.7
154.96523	0.3
160.04558	46.8
160.10834	0.5
161.02904	1.4
161.04591	2.4
165.05074	0.9
178.05614	17.8
179.04001	3.2
179.05481	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0916
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
54.03502	0.9
55.01907	1.1
55.05334	0.5
55.05564	2.2
56.05086	8.0
56.96308	2.2
56.96615	29.6
57.03440	3.0
57.07131	0.5
58.03007	1.7
58.06656	1.8
59.06172	7.0
59.93165	1.9
60.04575	2.6
60.95889	1.2
68.05088	2.4
69.03476	1.5
69.04606	0.9
70.06635	2.0
71.01408	1.2
71.04990	1.1
71.06164	2.1
71.58818	0.7
71.95253	3.6
72.04505	3.5
72.06957	1.0
72.08180	0.8
73.02960	0.8
73.95747	0.8
74.06113	1.6
74.97663	0.9
75.04512	1.2
75.05636	0.8
76.04046	2.4
76.93005	0.7
76.93416	2.6
77.94171	0.9
79.05522	0.8
81.03448	1.5
81.04573	0.7
82.02997	0.9
83.06139	2.3
84.04507	7.2
85.02918	3.4
85.04065	1.4
85.07703	1.8
86.02448	0.7
86.06062	3.0
87.04490	1.0
87.05614	1.1
88.04025	1.1
91.05020	0.5
91.05526	2.5
94.94434	1.8
95.06096	4.7
96.04482	2.9
97.02934	0.7
97.07696	1.8
98.06095	0.7
98.97578	33.7
99.04508	1.4
99.05576	3.8
99.08102	0.7
99.97945	2.2
100.03967	3.3
100.07674	1.5
101.02354	1.0
101.07175	0.8
102.05512	3.4
103.05490	1.0
105.07059	2.1
107.01891	0.7
111.05566	1.5
113.02384	1.9
113.06098	0.6
113.06413	0.9
113.07127	6.2
114.05537	2.1
114.06709	1.0
115.05453	23.7
116.00238	0.7
116.03502	0.7
116.05794	0.9
116.98614	51.9
117.05775	13.2
117.06629	2.9
117.96002	3.0
117.98211	1.2
117.98933	3.3
118.05064	1.0
118.06542	6.7
118.96773	5.7
119.01909	3.4
121.01541	0.6
124.03902	0.7
129.04199	0.5
130.06523	21.5
131.04892	1.6
131.06050	0.7
131.06828	4.4
131.08493	3.1
131.11806	1.1
132.08083	80.3
133.08435	2.4
134.01239	1.9
134.99654	100.0
135.97047	3.0
135.99089	0.8
135.99995	6.0
136.99176	0.7
137.02939	1.4
140.00197	0.7
140.04855	0.7
141.01820	3.0
141.06575	4.5
142.03474	1.6
142.06512	42.2
143.07030	1.0
144.09323	1.5
145.02930	0.6
149.01180	0.8
150.95770	0.9
152.29523	0.5
153.00697	29.6
153.96706	2.4
154.01018	2.4
154.59059	0.9
154.96408	2.2
158.01251	4.7
158.08319	1.8
159.04411	1.0
159.07703	8.7
159.09131	66.2
159.11447	3.3
159.15680	0.7
160.04683	2.8
160.06203	1.2
160.07556	14.9
160.08951	0.9
160.09535	1.7
160.10739	1.1
177.00618	1.1
178.05598	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	100.0
55.05510	1.4
56.02206	1.2
56.96562	22.2
57.03425	5.1
59.06917	0.4
61.02912	2.0
67.01865	0.5
67.51068	0.8
68.02656	0.7
68.99789	0.7
69.03424	4.8
69.07066	0.7
69.12590	0.3
69.89698	0.3
69.96304	1.5
70.06590	5.3
70.95852	0.4
70.98093	0.5
71.01355	2.1
71.04984	0.8
71.95272	0.8
72.08137	1.7
72.16341	0.4
72.95982	0.4
73.02917	5.8
74.93837	1.2
74.97601	0.7
75.01031	0.8
76.51588	0.4
79.05499	0.4
81.03410	2.1
82.01778	0.4
82.06600	0.5
83.00795	2.7
83.01352	6.8
83.04977	1.9
84.01587	0.6
84.08115	0.5
84.96028	0.6
84.99263	3.7
85.02894	2.3
85.51057	0.4
86.01314	0.5
87.04494	0.6
89.00784	1.1
90.01556	0.5
90.94859	0.5
91.05517	0.3
91.45314	0.4
92.01295	2.7
92.94889	0.5
93.02140	0.4
93.02757	0.7
93.07061	0.4
94.51592	1.5
95.01353	1.2
95.04967	1.0
95.52371	0.8
96.01540	0.5
97.02889	2.3
97.06555	1.3
97.07651	0.5
97.96806	1.3
97.99198	1.5
98.01299	1.1
98.06081	1.0
98.21462	0.4
98.97579	5.5
100.02478	1.0
100.05173	0.4
100.07575	0.4
100.51563	0.8
101.01816	0.4
101.02392	1.7
102.02248	1.0
103.00402	0.5
103.02399	0.5
103.52099	1.0
106.01074	0.4
109.02872	0.9
110.01303	0.8
110.07185	0.4
110.52276	0.5
111.00805	4.2
111.04449	1.9
111.05585	0.8
111.07464	0.8
111.08132	0.9
112.01073	0.4
112.07598	2.6
113.02400	2.0
115.01543	0.4
115.96479	1.2
115.97857	1.0
116.00255	1.4
116.07101	0.7
116.97247	2.2
116.98608	6.2
117.02020	1.0
118.03534	0.7
119.01893	3.4
120.02045	1.5
120.03284	0.6
121.01675	0.8
125.02384	1.1
126.02627	1.0
127.03969	0.4
128.02327	0.4
128.98601	0.9
129.01865	1.6
129.07011	0.5
131.00163	0.4
133.01669	0.5
133.03491	1.1
133.97498	0.9
133.98933	1.0
134.00499	0.9
134.03033	1.2
134.04784	0.4
134.99643	6.8
135.03157	1.0
137.03017	0.7
138.03056	0.8
139.00287	0.7
139.02795	0.4
139.03963	0.9
139.07610	0.5
140.05974	0.4
140.07095	1.2
142.01080	0.4
142.96564	1.0
143.03656	0.5
144.03224	0.4
146.99629	1.7
149.01277	0.8
150.96933	0.7
151.97136	1.3
152.96922	0.7
153.00723	1.1
157.01329	9.4
157.02489	0.6
157.03439	0.4
157.04988	1.7
157.06522	0.4
157.07759	1.3
157.09706	0.4
157.13385	0.4
158.01401	0.6
158.08168	1.5
158.09663	2.5
160.97546	1.8
161.01244	0.5
175.02449	1.3
178.98674	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
53.82171	0.2
54.03465	0.3
55.01858	0.6
55.05259	0.3
55.05508	5.0
55.93500	0.2
56.05029	1.0
56.96553	0.9
57.07072	1.5
58.06593	0.3
59.05016	0.2
65.03918	0.6
67.05501	1.1
68.05017	0.6
68.96323	0.6
69.03414	1.0
69.04519	0.4
69.72721	1.5
69.96163	0.5
70.02916	0.3
70.06586	1.5
70.94238	0.3
71.04981	0.5
71.94099	2.2
71.95240	0.4
72.04509	0.4
72.08137	0.5
72.93785	17.8
77.98863	0.2
79.01850	0.3
79.05139	0.2
79.05498	2.0
80.02190	1.1
80.04997	0.3
81.03397	0.5
81.04509	0.2
81.07054	7.2
82.06572	1.2
82.07355	0.2
83.04971	1.2
83.06084	0.4
83.07361	0.4
83.08619	1.3
84.04493	0.5
84.08138	0.6
84.14095	0.2
85.06522	0.5
85.07662	0.4
86.06030	0.2
90.94826	4.5
91.05453	0.7
93.05762	0.6
94.06557	0.4
95.04974	1.5
95.06094	0.9
95.08596	0.6
96.04489	1.1
96.05589	0.2
96.08110	0.5
97.05262	2.8
97.06486	0.3
97.07635	0.2
97.75426	0.2
98.06045	2.6
98.09676	2.4
98.21465	0.4
99.04461	0.6
108.01644	0.4
108.06951	0.2
108.08118	2.9
108.08885	0.3
108.95887	1.1
109.02856	0.7
109.06507	6.8
109.07603	1.3
109.10148	0.5
110.06042	3.6
111.03111	0.2
111.04453	1.2
111.06812	4.2
111.09205	0.7
112.01592	0.2
112.04778	0.4
112.08717	0.8
112.96707	0.6
113.05989	1.1
113.07123	0.6
113.96396	7.9
123.04422	0.4
124.07584	0.4
124.08595	0.2
125.08405	1.2
126.02647	0.6
126.05486	0.3
126.09141	3.4
127.03896	1.9
127.07566	0.4
130.96312	0.5
130.97737	0.4
131.96249	0.6
131.97429	8.7
136.07593	0.3
136.08705	0.6
137.05933	0.7
137.06989	0.4
137.10706	0.3
138.05469	0.7
138.06458	0.3
139.05247	0.4
139.06281	5.0
139.07378	0.5
140.04619	0.2
143.03430	0.3
144.03751	1.2
148.97372	1.3
149.97191	1.8
149.98317	0.3
150.00755	0.3
152.07080	0.5
154.02184	4.2
154.08617	100.0
154.99057	0.6
155.02254	0.3
155.03365	1.0
155.04460	0.2
155.07072	2.0
155.08998	3.3
155.10699	0.3
166.98428	0.2
167.98341	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01584	1.2
51.02376	5.6
53.03923	1.3
55.01863	4.4
55.05509	7.2
56.96562	1.3
57.03428	1.9
57.07047	1.5
59.04987	1.7
65.03933	13.8
67.05163	1.2
67.05500	16.2
68.05025	0.7
68.99773	1.2
69.03428	4.4
69.07057	9.8
69.44331	3.6
69.44737	2.3
70.06557	1.1
70.94240	1.5
71.05004	4.1
71.94084	1.7
79.01851	50.3
79.05484	22.9
80.02180	1.2
81.07044	14.5
83.04975	9.6
83.06077	0.8
83.08626	4.5
83.09039	0.7
83.90954	0.8
87.00811	1.1
88.95254	1.1
89.95125	0.9
91.05476	12.3
93.03420	4.5
93.07037	76.3
94.06539	1.1
94.07363	2.6
95.01320	1.2
95.04963	17.5
95.05971	0.7
95.08599	36.7
96.08974	1.0
97.02880	10.6
97.06523	13.8
105.07021	4.8
107.01308	11.6
107.04951	2.9
107.08587	93.1
108.08925	2.9
109.06509	4.7
109.07640	0.9
109.10149	13.8
110.03620	4.0
110.07213	1.7
111.04433	24.1
111.08066	8.7
111.09193	1.2
111.96863	1.6
112.08726	2.0
112.96646	0.7
117.06970	1.6
119.06079	0.9
121.06502	1.3
123.00839	1.3
125.02345	21.2
125.05980	10.0
125.09628	2.6
126.02658	1.2
126.05487	0.8
129.97926	1.3
135.08051	20.9
135.10666	1.7
135.11685	28.2
136.08450	0.8
136.12074	1.3
138.06750	0.8
139.03915	1.4
140.58455	0.8
143.03384	44.8
144.03728	2.3
153.01826	100.0
153.02950	13.9
153.05359	4.4
153.07834	1.4
153.09091	10.2
153.10213	1.3
153.11369	4.6
153.12741	16.3
154.02138	5.6
154.05011	0.9
154.09706	1.1
165.17950	0.7
170.81166	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.02381	2.6
53.00281	1.4
53.03934	4.4
55.01861	1.5
55.05510	16.1
57.07061	1.3
59.04998	7.4
65.03925	5.7
67.05504	7.4
68.99793	1.6
69.03416	2.3
69.07057	10.7
70.23721	2.7
70.24112	3.5
70.94254	3.7
71.04594	1.9
71.04987	35.2
71.94097	5.1
73.06548	18.7
79.01844	20.7
79.05056	1.9
79.05487	28.0
81.07053	100.0
82.07398	2.5
83.04987	3.1
83.08613	1.7
85.06524	1.5
88.95272	1.6
91.05471	8.8
93.03403	2.8
93.07034	44.2
94.07370	1.2
95.04973	3.1
95.08595	8.8
95.88895	1.2
97.02872	5.1
97.06536	8.1
97.16850	1.2
103.43765	1.2
105.07008	3.6
107.01306	4.0
107.04947	1.9
107.08587	40.7
109.06537	1.9
109.10152	7.8
111.04431	7.8
111.08053	6.2
112.08685	1.9
112.96680	2.1
125.02350	9.5
125.06007	4.4
130.71037	1.2
135.11682	21.7
143.03397	20.7
153.01817	42.4
153.02931	5.0
153.05472	3.4
153.09081	2.8
153.11476	2.9
153.12746	8.9
154.02170	2.6
154.05048	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01591	1.7
51.02375	6.1
53.00295	1.6
53.03936	2.3
55.01866	3.5
55.05507	9.3
56.96556	1.2
57.07068	1.2
59.05001	4.6
65.03933	9.7
65.81980	0.8
67.05505	7.3
68.05016	1.6
68.99763	1.2
69.03426	4.5
69.07061	8.1
69.31190	7.6
70.06580	1.8
70.94248	3.3
71.01340	0.9
71.04988	21.5
71.06108	0.8
71.94077	1.4
73.06552	11.9
79.01849	51.7
79.05488	22.4
80.02184	1.8
81.07051	59.8
82.07385	1.7
83.04974	3.4
83.08611	1.8
85.06502	0.9
88.95296	1.0
91.05477	7.2
93.03409	3.5
93.07039	25.1
95.01339	1.0
95.04968	4.6
95.06100	1.9
95.08614	5.9
97.02878	9.0
97.06537	6.3
105.07014	3.1
107.01313	13.2
107.04942	2.2
107.08584	24.7
109.06522	2.8
109.07630	2.4
109.10143	4.6
109.48815	1.0
110.03652	2.1
110.07181	1.2
111.04445	15.5
111.08069	6.7
111.09197	1.3
111.96882	1.1
112.08726	1.4
113.05888	0.8
116.23287	0.7
119.08567	1.1
123.00783	2.1
125.02341	25.6
125.05965	6.9
125.09621	3.2
128.89140	0.8
129.97902	1.7
135.04417	1.6
135.08075	2.5
135.11679	13.6
140.35693	0.7
142.12968	0.7
143.03386	46.5
144.03700	2.3
148.97328	1.9
153.01828	100.0
153.02954	16.3
153.05418	5.1
153.07759	1.3
153.09109	2.7
153.10269	1.0
153.11368	3.2
153.12743	6.2
154.02173	5.3
154.09776	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.4
53.03939	1.3
55.01852	2.4
55.05510	7.2
56.81142	0.5
56.96572	0.7
57.03436	0.9
57.07064	1.4
58.06581	0.5
59.04994	7.9
65.03942	4.6
67.05498	5.3
68.96324	1.0
68.99780	0.8
69.03426	11.5
69.04536	0.5
69.07066	3.3
70.84872	1.1
70.94255	2.6
71.04989	4.7
71.19013	0.5
71.94092	0.7
73.06548	3.2
79.01854	14.2
79.05486	9.4
80.02174	0.7
81.04511	0.6
81.07052	17.9
82.07371	0.9
82.59173	0.5
83.04980	3.8
83.08612	2.3
91.05475	8.7
93.03377	1.1
93.07034	16.5
94.07374	0.6
95.04955	10.5
95.06074	1.0
95.08596	2.1
97.02880	3.6
97.06513	3.9
105.06989	2.5
107.01295	5.0
107.04942	1.7
107.08585	21.4
108.05629	0.7
108.08927	0.6
109.06504	4.6
109.07652	1.5
109.10156	1.6
110.03655	0.9
110.07250	2.2
111.04434	10.0
111.08071	100.0
111.96871	1.1
112.08353	3.3
113.05876	1.1
115.05512	0.7
117.06985	0.6
124.43990	0.6
125.02360	5.7
125.05997	3.5
125.09621	50.2
126.09990	1.8
135.04434	0.9
135.07068	0.7
135.08047	5.2
135.11694	3.8
136.08640	0.8
138.03157	0.7
143.03386	14.4
144.03596	0.6
148.97395	1.4
153.01828	32.5
153.02954	4.3
153.05470	1.9
153.09094	16.3
153.10315	0.5
153.11333	2.7
153.12746	2.4
154.02196	1.2
154.09590	1.1
168.32010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03928	1.7
55.01862	1.9
55.05505	13.4
56.96572	1.6
57.03437	5.3
57.07065	2.2
59.04993	1.8
63.16394	0.8
65.03936	9.9
67.05501	35.6
69.03437	4.0
69.07063	60.2
70.94257	8.3
70.95860	1.7
71.04980	3.7
71.60044	1.2
71.94102	11.5
71.95257	14.1
77.03906	0.9
79.01849	5.1
79.05487	31.9
81.03410	1.5
81.07052	43.4
83.04959	8.4
83.08607	6.7
85.06536	2.7
88.95280	3.1
88.96884	1.1
89.95113	2.0
91.05476	8.0
93.03412	1.4
93.07037	54.2
94.07350	1.6
95.04944	4.8
95.08602	22.1
97.02874	1.9
97.06526	23.6
100.27939	0.8
105.07037	1.5
107.01348	1.2
107.04952	2.6
107.08585	58.1
108.04449	0.8
108.08937	1.3
109.06532	2.2
109.10148	38.6
110.03699	1.8
111.04461	17.5
111.08074	7.9
111.11694	1.4
111.96867	3.2
112.04794	1.7
112.96687	3.0
122.02418	0.9
125.02348	2.2
125.05966	8.7
125.09611	1.8
129.97910	5.5
130.96281	1.0
130.97740	3.8
135.04410	1.3
135.08076	1.8
135.11682	100.0
136.03926	0.9
136.11980	4.0
138.03117	1.0
138.05045	1.2
138.06764	1.0
143.03397	4.1
148.97353	0.9
153.01855	8.3
153.04253	1.1
153.05510	7.7
153.07358	3.5
153.09160	6.2
153.12733	88.6
154.04997	4.0
154.13068	3.3
154.15892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.9
51.02382	4.9
55.01875	0.9
55.05506	0.7
65.03939	3.6
67.05499	1.7
68.05016	0.6
68.99792	0.5
69.03418	2.1
69.07079	0.8
69.58652	0.6
69.59055	2.0
70.06600	0.6
70.94263	1.0
71.94104	0.5
79.01852	48.8
79.05486	1.5
80.02184	1.6
81.07056	1.1
83.04988	0.8
87.00819	1.1
91.05452	1.1
93.03400	1.8
93.07053	3.0
95.01327	0.6
95.04967	1.4
95.06048	0.5
95.08597	2.1
97.02891	9.7
97.06515	1.7
104.59283	0.4
107.01315	10.4
107.04924	0.5
107.08582	4.7
108.01659	0.5
109.06496	0.4
109.07677	0.4
109.10151	1.1
110.03638	1.2
111.04438	5.7
111.08064	1.1
111.96863	0.4
112.08738	1.0
113.05872	0.4
123.00782	2.3
125.02348	21.2
125.05970	3.3
125.09698	0.5
129.97917	0.8
135.08083	0.7
135.11685	1.8
136.07509	0.3
136.08557	0.5
143.03389	42.9
144.03723	1.9
148.97356	0.4
153.01830	100.0
153.02946	14.3
153.05219	1.6
153.09099	0.7
153.11330	1.7
153.12703	1.3
154.02188	3.5
154.03297	0.7
166.37248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0909
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
51.02372	0.8
52.77098	0.5
53.00302	0.5
53.03931	1.4
55.01873	2.9
55.05507	7.1
55.92146	0.4
56.96525	0.6
59.04996	6.4
60.33912	0.4
65.03941	3.3
67.05489	5.6
68.99774	0.9
69.03424	10.1
69.07066	2.9
70.94270	0.5
71.01342	0.5
71.04984	5.8
71.14539	0.9
71.94083	0.6
73.06553	4.1
79.01849	7.0
79.05048	0.9
79.05484	10.9
80.05898	0.5
81.03442	0.6
81.07049	20.8
82.07350	0.5
83.04978	5.3
83.08599	1.9
84.43684	0.4
91.05471	9.2
93.03372	1.0
93.07037	16.9
94.07348	0.6
95.04958	10.1
95.06068	0.6
95.08582	2.0
97.02878	1.8
97.06511	3.1
99.43941	0.4
105.07028	3.3
107.01284	1.5
107.04935	1.1
107.08584	21.9
108.08850	1.0
109.06525	5.0
109.07648	0.6
109.10129	1.8
110.03655	1.1
110.07314	2.3
110.66698	0.5
111.04435	8.2
111.08070	100.0
112.08383	3.2
113.05847	0.7
115.05478	0.5
117.06997	0.6
121.86740	0.5
125.02337	3.2
125.06020	3.2
125.09621	46.8
126.09919	1.4
135.04469	0.5
135.08034	5.2
135.11664	4.3
136.08617	0.5
138.03050	0.4
143.03360	4.6
148.97296	0.6
153.01823	12.7
153.02939	1.7
153.05479	2.1
153.09100	17.6
153.11327	1.6
153.12524	2.2
154.02196	0.8
154.09622	0.7
156.90569	0.5
160.00351	0.5
163.97054	0.4
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
50.01601	1.2
51.02377	4.5
53.00306	0.5
55.01875	1.3
55.05511	1.2
56.73593	0.3
56.96558	0.4
59.04987	0.3
65.03936	2.7
67.05492	0.9
68.99770	0.5
69.03429	2.1
69.07072	0.7
70.06588	0.4
70.65546	1.1
70.94257	1.0
71.01320	0.3
71.04995	0.4
71.94115	0.4
79.01852	46.4
79.05481	1.5
80.02195	0.9
81.07056	1.0
83.04985	1.2
87.35748	0.3
88.95302	0.4
91.05486	0.9
93.03416	0.7
93.07030	0.8
95.01322	0.5
95.04983	0.5
95.06063	0.5
95.08627	0.4
97.02889	9.2
97.06494	0.7
105.07020	0.4
107.01315	10.8
107.04953	0.6
107.06140	0.3
107.08597	1.8
108.01644	0.4
108.77428	0.3
109.06507	0.4
109.07632	0.5
109.10202	0.3
110.03679	0.6
110.07182	0.5
111.04444	3.5
111.05585	0.3
111.08066	0.6
111.09202	0.6
111.96848	0.3
112.08733	0.9
113.05861	0.5
117.07047	0.3
123.00801	1.8
124.05244	0.3
125.02348	19.5
125.05955	1.8
125.09611	0.7
125.35837	0.3
126.02733	0.5
129.97932	0.5
135.05576	0.3
135.08043	1.0
143.03394	44.2
144.03731	0.9
148.97346	0.4
153.01833	100.0
153.02953	13.8
153.05246	1.7
153.09093	1.0
153.11354	1.6
153.12746	0.8
154.02145	3.2
154.09708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	2.0
51.02381	5.4
53.00299	0.6
53.03926	0.6
55.01870	1.3
55.05505	2.9
56.96568	1.3
57.77119	0.5
59.04982	0.7
63.30325	0.4
65.03936	6.2
67.05501	2.1
68.05032	0.5
68.99787	1.1
69.03420	2.8
69.07062	2.3
70.06573	1.1
70.37135	0.9
70.37498	0.8
70.94250	4.1
70.95864	0.5
71.04996	2.7
71.94099	3.0
71.95261	0.9
73.06553	1.5
75.12165	0.4
77.14410	0.4
79.01852	54.4
79.05486	3.7
80.02198	1.2
81.03394	0.5
81.07053	8.2
82.12084	0.3
83.04989	1.9
83.08615	0.6
87.00821	0.5
88.95291	1.1
88.96911	0.5
91.05473	1.7
93.03420	2.2
93.07040	5.2
95.01353	0.7
95.04971	1.7
95.06030	0.5
95.08592	2.2
96.25967	0.4
97.02882	8.2
97.06510	3.1
105.07034	0.6
107.01307	10.1
107.04990	0.4
107.08595	5.1
108.05595	0.5
109.06525	0.4
109.10178	1.6
110.03674	1.4
110.07116	0.7
111.04438	13.2
111.08055	2.2
111.09197	0.4
111.96872	1.1
112.08727	1.2
112.96712	0.7
123.00787	1.9
123.04414	0.4
125.02345	23.7
125.05978	4.6
125.09640	1.3
126.02697	0.9
129.97906	1.8
130.97728	1.3
135.04492	0.5
135.08063	1.2
135.11661	2.5
143.03391	45.8
144.03738	1.6
148.97362	0.6
153.01833	100.0
153.02960	15.9
153.05338	4.0
153.09102	2.8
153.11368	2.1
153.12750	1.8
154.02158	4.2
154.08525	0.5
154.09761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	1.5
51.02379	5.7
51.33107	0.3
53.00300	0.6
53.90139	0.3
55.01859	0.6
55.05491	0.6
59.04998	0.4
62.62246	0.3
65.03933	1.5
68.68767	0.3
68.99794	0.4
69.03418	2.4
69.07080	0.5
70.94258	1.0
71.11417	0.8
71.94115	0.4
79.01849	51.0
79.05492	1.5
80.02184	1.6
81.07052	0.4
83.01332	0.4
83.04984	0.6
87.00813	0.5
89.03886	0.5
91.05482	0.7
93.03420	0.7
93.07031	1.1
95.01306	0.6
95.04956	0.6
97.02885	9.1
97.06539	0.7
107.01305	10.9
107.04955	2.6
107.08569	1.2
109.10197	0.3
110.03616	0.3
111.04415	3.4
111.08070	1.8
111.96893	0.4
123.00813	2.1
125.02342	21.3
125.05978	1.3
125.09633	0.8
126.02638	0.4
129.97853	0.5
135.04446	1.0
135.05577	0.4
135.08020	0.7
139.07849	0.4
143.03387	47.0
144.03749	1.2
153.01825	100.0
153.02946	13.7
153.09143	0.5
153.11322	0.9
153.12607	0.4
154.02138	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	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	1.1
51.02377	4.2
53.00315	0.4
53.03941	0.4
53.26480	0.3
53.61890	0.3
55.01867	1.6
56.05008	0.4
56.67599	0.3
56.96573	1.5
65.03933	2.1
67.01855	0.4
67.05493	0.6
68.96325	0.5
68.99776	0.5
69.03426	2.7
69.04546	0.4
69.07065	0.4
70.06575	0.4
70.94247	1.7
71.29774	0.4
71.94082	0.5
79.01850	46.4
79.05479	1.6
80.02187	1.2
81.07037	0.8
83.01354	0.4
83.04964	0.7
83.06116	0.3
84.08155	0.5
86.97415	0.4
87.00806	0.4
88.95294	0.7
91.05476	0.9
93.03410	1.2
93.07024	0.8
95.01317	0.4
95.04961	1.1
95.06074	0.8
97.02882	8.3
97.06503	1.1
107.01309	12.6
107.04953	2.7
107.08595	1.6
108.01682	0.4
108.08086	0.6
109.06576	0.4
109.07623	0.3
109.98923	0.3
110.03674	0.6
110.07187	0.3
111.04441	4.7
111.08049	0.4
112.08759	0.5
113.05875	0.8
117.63285	0.3
117.72066	0.3
118.20621	0.3
118.64130	0.3
120.49999	0.4
123.00747	1.6
125.02344	20.5
125.05982	1.6
125.09611	0.7
126.02685	0.6
129.97914	0.6
135.04402	1.6
135.08067	0.3
135.11632	0.5
136.07565	0.4
136.08632	0.4
138.03133	0.5
143.03387	42.7
144.03693	1.8
148.97318	1.0
153.01826	100.0
153.02939	12.7
153.05232	2.0
153.09097	0.7
153.10275	0.5
153.11287	1.6
153.12535	0.3
154.02150	3.4
154.03255	0.5
154.04970	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	1.7
51.02382	5.1
53.03940	0.4
55.01876	1.5
55.05505	2.5
56.05042	0.3
56.96566	1.8
57.02703	0.4
57.03435	0.7
57.07061	0.4
59.05001	0.9
59.11489	0.3
59.83870	0.3
65.03938	7.6
67.05498	2.3
68.96343	0.5
68.99806	0.8
69.03428	3.6
69.04568	0.5
69.07062	2.2
70.06587	0.5
70.94257	3.4
71.04996	2.1
71.59947	0.7
71.94093	3.1
71.95276	0.6
72.04533	0.3
72.08146	0.7
73.06551	0.8
79.01851	51.0
79.05492	4.2
80.02174	0.9
81.03399	0.4
81.04518	0.5
81.07050	6.2
83.04980	1.6
83.06100	0.7
83.08617	1.0
87.00804	0.5
88.95299	0.8
89.95094	0.4
91.05456	2.2
93.03407	2.2
93.07038	6.2
95.01312	0.5
95.04975	2.5
95.06112	0.8
95.08598	2.4
97.02885	9.0
97.06506	2.5
105.07059	0.8
107.01307	11.3
107.04969	0.7
107.06023	0.4
107.08583	6.5
108.01650	0.4
109.06528	1.4
109.07633	0.8
109.10152	2.0
110.03665	1.1
110.07188	0.8
111.04433	13.9
111.08059	2.4
111.09193	0.9
111.96871	1.1
112.08050	0.3
112.08720	2.3
112.96696	0.9
113.05882	0.4
117.07052	0.5
123.00793	1.2
125.02344	20.6
125.05976	5.4
125.09631	1.1
126.02705	0.4
126.10230	0.4
128.35612	0.3
129.97934	1.7
130.97748	0.8
135.04448	0.6
135.08064	2.1
135.11667	2.1
136.08670	0.6
143.03387	44.8
144.03719	1.4
148.97354	1.0
153.01826	100.0
153.02951	14.4
153.05316	3.2
153.09048	3.1
153.10155	0.5
153.11360	3.4
153.12752	2.4
154.02158	3.9
154.03255	0.5
154.04962	0.7
154.08604	0.6
154.09787	0.8
173.35454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01600	1.8
51.02381	3.9
52.13927	0.3
53.03941	0.4
55.01873	1.5
55.05501	1.4
56.96561	1.0
57.03432	0.5
57.07064	0.4
57.57187	0.3
65.03941	6.5
67.05493	1.5
68.96313	0.3
68.99792	0.9
69.03433	2.8
69.04510	0.3
69.07072	1.6
69.13633	0.3
70.06596	0.3
70.16831	1.2
70.94260	3.4
70.95866	0.6
71.04990	0.4
71.94106	4.0
71.95260	2.7
72.08170	0.5
75.17309	0.3
79.01854	52.3
79.05508	2.0
80.02190	1.8
80.81214	0.3
81.03421	0.6
81.07053	1.2
83.01325	0.6
83.04987	1.5
83.06084	0.4
83.08636	0.4
87.00833	0.6
88.95295	1.1
89.95157	0.5
91.05494	1.2
93.03413	1.6
93.07041	2.0
95.01324	0.7
95.04961	1.1
95.06084	0.6
95.08588	1.2
97.02885	8.6
97.06526	2.3
98.21532	0.3
107.01311	12.2
107.02038	0.6
107.04956	1.4
107.08598	3.0
108.01661	0.4
109.06505	1.0
109.10154	1.1
110.03660	1.5
110.07191	1.1
111.04441	14.2
111.08057	2.0
111.09204	0.5
111.96870	1.9
112.04787	0.4
112.08734	1.7
112.96708	1.0
123.00780	2.0
125.02348	21.5
125.05995	4.5
125.09610	1.1
126.02693	0.8
129.97925	2.3
130.97749	1.1
135.04446	0.6
135.05559	0.5
135.08134	1.6
135.11710	0.9
136.07552	0.3
136.08636	0.4
137.05951	0.4
143.03395	49.5
144.03680	1.5
148.97340	0.4
153.01834	100.0
153.02953	14.3
153.05351	3.7
153.09105	4.1
153.11346	1.7
153.12726	1.7
154.02179	4.6
154.03287	0.4
154.04979	0.6
154.06096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.148
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03943	2.0
55.01862	1.7
55.05508	7.1
56.96559	2.7
57.03426	1.1
57.06817	1.0
57.07076	13.9
57.53547	0.6
59.05009	0.9
65.03944	2.0
67.05500	47.7
68.05015	1.9
68.94323	0.7
69.03436	1.5
69.04530	0.8
69.07066	11.8
71.04980	0.6
71.08632	6.2
71.60033	0.7
77.45081	0.6
79.05488	7.2
81.03407	1.9
81.07052	47.4
82.07410	0.7
83.06078	1.1
83.08604	2.5
91.05471	7.5
93.07046	8.6
95.04353	1.0
95.04961	16.0
95.08601	100.0
96.08104	1.0
96.08936	2.6
105.03368	0.7
105.07030	10.0
106.07291	0.8
107.04925	0.9
107.08582	6.2
108.02089	0.7
108.05714	1.7
109.02843	0.8
109.06516	10.6
109.10149	81.3
110.01272	0.8
110.07175	4.8
110.10478	2.3
111.07941	9.4
119.01777	0.7
119.04928	1.0
121.06499	2.0
121.10098	1.9
122.07243	1.2
123.04423	21.1
123.05319	1.1
123.08065	12.0
123.11694	10.4
124.04765	1.0
124.08712	1.9
133.06416	0.7
133.10132	4.7
134.07057	1.0
135.08047	1.8
136.08830	8.9
146.99638	0.9
151.02766	1.4
151.03912	12.9
151.05008	1.0
151.07613	4.4
151.09811	5.5
151.11165	84.0
151.14799	15.3
152.01649	1.4
152.04391	0.9
152.07018	1.6
152.08160	1.3
152.11545	4.0
152.38814	0.6
157.95071	0.6
168.04054	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03952	0.7
55.05506	6.8
55.59850	0.3
56.96559	0.7
57.07075	1.4
63.08694	0.3
65.03934	2.4
67.05500	87.4
68.05830	2.2
69.07066	4.5
70.66167	0.6
79.05482	5.0
81.07052	44.1
82.07391	0.5
83.08611	1.3
91.05476	1.3
92.91213	0.3
93.07035	4.3
95.04951	1.7
95.08600	100.0
96.08922	3.0
100.61146	0.3
105.07011	1.0
107.04910	0.3
107.08599	1.3
109.06526	0.6
109.10149	46.7
110.10500	1.9
123.04431	1.4
123.08060	1.0
123.11665	0.8
133.06438	0.4
151.02826	0.5
151.03925	0.7
151.07553	0.6
151.11185	1.3
151.14812	9.0
152.01593	0.6
152.15105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03934	1.8
55.01858	1.9
55.05505	2.6
56.05021	0.6
56.96550	1.2
57.03440	0.5
57.07059	1.3
57.62305	0.4
59.04978	0.9
59.64246	0.4
59.71895	0.4
65.03940	3.9
67.05501	11.4
68.05013	0.9
68.05817	0.4
69.03410	2.0
69.03753	0.4
69.07047	1.7
70.06589	0.6
71.04961	0.5
71.05839	0.7
71.06151	0.8
77.03902	0.5
79.05487	7.2
80.06261	0.9
81.03402	1.6
81.07054	17.0
82.06568	0.5
83.04952	0.5
83.06088	1.4
85.43074	0.4
91.05478	52.2
92.05799	2.0
93.03415	0.5
93.04543	0.5
93.07048	9.2
95.04964	16.1
95.08598	6.9
96.08178	0.4
97.06540	0.9
103.05438	0.7
105.03393	0.5
105.07025	14.1
106.07365	0.6
107.04948	1.5
107.08587	6.5
108.05750	1.6
109.05781	0.9
109.06518	16.5
109.07609	0.8
109.10157	9.3
110.06016	0.6
110.07198	2.3
110.10418	0.4
111.07957	5.4
118.07800	0.5
119.04940	21.7
120.05255	1.4
121.06508	1.1
121.10139	2.0
122.07199	0.6
123.04424	28.1
123.08073	7.1
123.11697	4.2
124.04801	1.3
124.08696	0.9
128.02312	0.9
131.08556	0.9
133.06500	0.9
133.10129	5.7
134.07068	0.7
136.05194	6.2
136.08797	2.4
137.05948	2.6
141.05412	0.6
141.30437	0.4
146.99593	0.5
151.02733	0.8
151.03917	11.7
151.07556	19.6
151.11174	100.0
152.01660	0.9
152.04387	0.5
152.07977	1.3
152.11539	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	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.01591	0.6
51.02367	1.3
52.03170	1.2
53.03944	3.9
54.89986	0.6
55.01871	7.7
55.05512	3.7
56.05029	1.2
56.96560	4.3
57.03414	2.2
59.06122	0.7
65.03605	0.9
65.03938	17.8
67.05503	23.5
68.05021	3.2
68.99782	1.3
69.03420	1.6
69.04580	0.6
69.07072	0.9
70.06582	1.8
70.98095	0.7
71.01338	1.4
71.34606	1.5
73.02897	0.8
77.03916	1.6
79.05490	3.8
80.02627	1.6
81.03400	1.9
81.04541	0.8
81.07050	8.7
82.06551	1.0
82.96349	0.7
83.06076	2.1
84.02114	0.7
85.02908	1.3
91.04974	1.2
91.05482	13.3
92.05788	0.8
93.03391	1.6
93.04511	0.7
93.07040	3.8
94.06574	1.2
95.01310	1.2
95.04967	25.3
95.06001	1.7
95.08606	5.4
96.08126	0.8
97.07637	1.4
98.03674	0.8
103.05487	1.0
105.03389	1.0
105.04518	1.4
105.07018	5.9
106.04818	0.8
107.04939	2.1
107.08601	3.6
108.02100	20.7
109.02905	3.1
109.06521	4.7
109.07632	2.1
109.10151	3.9
110.07177	5.6
111.04453	5.1
111.07955	9.7
111.09213	0.8
112.01582	1.4
119.04934	6.3
121.03980	1.4
123.03553	1.4
123.04426	18.1
123.08089	3.6
123.11690	2.3
124.08698	2.2
127.03950	0.8
133.02869	1.4
133.06456	1.5
133.10150	2.0
134.07120	1.3
136.01544	2.6
136.05194	1.1
141.05461	19.8
142.05736	0.6
146.99625	1.2
151.03885	100.0
151.05032	32.5
151.07512	9.8
151.09782	6.4
151.11148	7.5
151.97423	1.7
152.01656	1.2
152.04239	4.1
152.05347	1.1
152.06993	1.2
152.08163	1.1
152.11856	1.6
165.00691	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
53.03929	0.9
55.01872	1.8
55.05500	0.8
56.48679	0.2
56.96563	2.0
57.03430	0.7
62.39927	0.2
65.03939	2.3
67.05502	12.3
68.05007	0.9
68.05824	0.4
68.95284	0.8
68.99770	0.5
69.03426	0.5
69.07054	0.7
71.04985	0.3
71.59861	0.5
73.02927	0.3
79.05488	2.1
81.03410	0.7
81.07052	4.9
83.06087	0.7
91.05486	3.0
93.07051	2.2
95.04967	17.8
95.08605	5.0
97.99178	0.3
98.97577	0.5
102.02435	0.3
103.05391	0.3
104.01305	0.6
105.03365	0.5
105.07022	3.3
106.07401	0.3
107.01856	0.3
107.04968	0.4
107.08585	1.2
108.02097	0.3
108.05711	0.7
109.02862	0.4
109.06524	2.3
109.07652	0.6
109.10145	2.3
110.07156	2.4
111.07951	5.7
116.48141	0.6
116.98579	0.5
117.07034	0.2
119.01785	0.9
119.04971	0.5
121.06467	0.3
123.04424	100.0
123.08018	2.0
123.11700	1.0
124.03945	0.5
124.04762	3.3
124.07607	0.4
124.08661	1.0
128.02310	0.9
128.98645	0.4
133.06497	0.5
133.10133	1.5
134.07156	0.4
134.99625	0.6
137.02815	0.3
141.05440	0.5
146.49519	0.3
146.99654	0.5
148.96068	0.3
151.03906	31.8
151.07497	2.6
151.09753	3.0
151.11176	3.5
152.01646	0.8
152.04272	1.0
152.07024	0.6
152.08145	0.3
156.93053	0.3
160.86150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
50.03140	0.2
51.02383	0.5
53.03946	2.9
54.04291	0.2
55.01871	1.8
55.05508	0.5
56.96566	2.9
59.05002	0.4
65.03939	1.6
67.05507	9.1
68.05032	1.4
68.99790	0.6
69.03417	0.3
69.04565	0.4
69.07078	0.2
69.49782	1.8
69.88525	0.2
70.06602	0.3
70.98121	0.5
75.74906	0.2
76.38191	0.2
76.44903	0.2
77.03945	0.7
79.05493	1.9
80.05010	0.2
81.03422	1.4
81.07056	3.0
82.06578	0.3
83.04978	0.4
83.06087	0.5
88.96758	0.3
88.99179	0.4
91.05473	3.5
93.04557	0.3
93.07033	1.5
94.98359	0.3
95.04969	100.0
95.08603	2.0
96.05294	3.0
96.08115	0.3
97.07623	0.4
98.97623	0.3
99.00970	0.2
101.50298	0.2
105.03392	0.6
105.04493	1.3
105.07020	2.7
107.04986	0.5
107.06120	0.3
107.08576	1.6
108.01536	0.7
108.05740	0.5
109.02907	1.3
109.06517	1.7
109.07656	0.5
109.10144	2.2
109.93184	0.2
110.07153	1.7
111.04453	2.0
111.05594	0.3
111.07957	4.3
117.02066	1.0
119.01844	0.3
119.04942	1.5
121.10146	0.2
122.01286	0.2
123.04430	53.0
123.08037	1.6
123.11703	0.8
124.04757	1.6
124.08717	0.7
128.02299	0.4
133.02808	0.3
133.06517	0.6
133.10135	0.9
134.07133	0.6
135.09215	0.3
136.05196	0.3
138.02568	0.5
151.03908	40.3
151.07501	3.0
151.08646	0.5
151.09810	2.1
151.11185	2.6
152.01642	0.9
152.04332	1.5
152.07027	0.6
152.08189	0.5
152.11819	0.3
169.04971	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.1
53.03940	1.8
55.01869	4.2
56.96561	0.5
65.03934	1.6
67.05499	12.1
67.30679	0.1
68.05849	0.2
70.06557	0.2
71.43760	0.2
74.47806	0.1
75.05603	0.2
77.03925	0.4
79.05476	0.7
80.04983	0.2
81.03414	1.2
81.07048	0.4
82.03683	0.1
82.06554	0.2
83.06093	0.2
91.05473	0.3
93.07011	0.2
95.04961	100.0
95.08591	0.4
96.05282	2.8
105.03382	0.4
105.04502	1.1
105.07017	0.6
106.06523	0.2
107.04939	1.3
107.06107	0.2
107.08607	0.2
108.04453	0.2
109.02863	4.1
109.04759	0.2
109.06493	0.3
109.07648	0.3
110.07126	0.4
111.04433	5.0
111.07945	0.5
123.04418	15.9
123.08028	0.3
123.10945	0.1
124.04757	0.5
124.07560	0.2
124.08707	0.2
128.98654	0.2
132.42346	0.1
133.02834	0.3
134.06001	0.2
135.04396	0.3
135.09195	0.2
146.99583	0.2
150.96889	0.1
151.03889	21.7
151.05875	0.5
151.07475	0.3
151.09685	0.2
151.11116	0.3
152.04272	0.8
152.07027	0.2
152.10672	0.2
152.11815	0.3
169.04973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0389
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02369	0.3
53.03947	2.2
55.01870	4.6
56.96564	0.1
65.03940	1.5
65.49063	0.2
67.05502	12.2
68.05031	0.2
68.05824	0.3
68.99797	0.2
69.08232	0.1
70.84899	0.5
77.03917	0.4
79.05489	0.3
81.03418	1.1
81.07058	0.2
83.06109	0.2
91.05488	0.2
94.40342	0.1
95.04964	100.0
96.05293	2.5
105.03371	0.2
105.04526	0.7
105.07031	0.3
107.04953	0.8
107.08559	0.2
109.02877	4.3
109.07620	0.3
110.07166	0.2
111.04439	4.8
111.07944	0.2
123.04423	15.7
123.08025	0.2
124.04784	0.4
133.02852	0.3
135.04454	0.3
151.03896	22.4
152.04224	0.9
169.04965	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.1
53.03935	3.4
55.01868	1.9
55.05504	6.2
56.96553	4.4
65.03934	58.1
66.04272	1.6
67.05498	9.3
67.93549	0.9
69.06768	0.9
69.07067	8.7
70.27522	4.0
78.15688	0.8
79.05486	23.7
80.05013	1.1
81.07054	32.3
82.07344	1.6
83.04971	1.0
83.08610	2.5
91.05460	15.2
91.35987	0.9
93.03386	13.1
93.07036	44.1
94.07392	1.4
95.04955	3.7
95.08587	5.3
98.03649	2.6
103.05442	1.5
105.03387	1.0
105.04552	1.7
105.07050	4.9
107.04998	1.1
107.08591	32.6
108.04454	1.7
108.08869	1.2
109.06537	1.7
111.03830	1.8
111.04453	13.3
119.08588	1.4
121.02861	61.7
121.03956	12.7
121.06502	2.5
121.10136	13.5
122.03168	2.9
122.05988	1.5
127.89606	1.0
131.08568	1.0
149.02332	100.0
149.05952	2.8
149.08218	1.9
149.09592	3.4
149.13242	15.7
150.02657	7.6
150.03725	1.2
150.05501	3.3
150.13634	1.1
163.03850	0.8
167.03421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03936	2.9
55.01848	1.9
55.05509	7.6
56.96563	3.9
65.03941	56.8
66.04267	1.8
67.05170	1.2
67.05503	17.2
67.93548	0.9
69.07063	11.1
70.49352	2.7
79.05491	32.0
80.05019	1.0
81.07053	41.9
83.08616	2.3
91.05473	15.8
93.03407	14.0
93.07043	43.9
94.07330	1.0
95.04978	6.5
95.08607	7.8
98.03648	2.4
100.02491	1.2
103.05465	2.6
104.05000	0.8
105.04514	1.7
105.07024	7.2
107.04955	2.2
107.08593	33.7
108.04466	2.4
108.08882	0.8
109.06483	1.7
111.03716	0.9
111.04453	15.2
121.02862	64.0
121.03969	12.5
121.06527	2.4
121.10135	11.1
122.03214	3.6
122.04298	0.8
122.07130	0.9
123.08070	1.1
131.04921	1.4
131.08563	1.3
149.02341	100.0
149.05983	1.9
149.08241	2.0
149.09615	5.1
149.13266	16.9
150.02661	7.5
150.03729	1.1
150.05495	2.5
150.09142	0.9
150.13570	1.2
162.30492	0.9
163.03871	1.1
167.03430	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	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
50.89130	0.9
53.03954	2.6
55.01860	1.7
55.05499	5.5
56.96558	3.4
57.07070	1.9
65.03940	57.9
66.04256	1.6
67.05487	2.8
69.07065	5.3
71.59941	1.6
79.05492	14.7
80.05017	3.5
81.03400	2.1
81.04561	1.2
81.07053	6.1
83.08602	1.3
91.05470	18.9
93.03402	15.0
93.07040	27.1
95.04953	4.8
95.06071	1.1
95.08550	1.1
98.03661	3.3
103.05472	6.9
105.03407	1.1
105.07024	21.4
105.07684	2.0
107.04946	1.6
107.08593	28.2
108.04478	3.4
108.08920	2.3
109.06525	2.8
109.07647	1.6
110.08454	1.6
111.04450	13.2
112.07174	1.1
119.08588	7.9
121.02866	63.8
121.03965	12.7
121.06504	3.3
121.10141	41.8
121.11014	1.5
122.03185	3.2
122.05998	2.1
122.07113	2.8
122.10466	2.2
123.08041	3.7
131.04921	2.1
131.08574	1.5
133.07631	1.2
133.10124	4.4
134.10945	1.6
141.97063	1.2
149.02345	100.0
149.05972	4.0
149.08331	2.1
149.09616	10.3
149.13252	12.5
150.02708	7.9
150.05507	6.4
150.06517	1.4
150.10199	2.2
167.03418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1324
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03946	4.0
55.01861	2.9
55.05507	9.1
56.96568	4.1
57.07064	1.2
65.00786	0.8
65.03936	51.7
65.25124	0.7
66.04276	1.6
67.05500	6.3
68.99765	1.0
69.07063	10.2
69.26724	9.0
78.59786	0.7
79.05487	31.8
80.04997	1.4
80.05809	0.9
81.03394	1.3
81.07050	19.5
82.07367	1.0
83.04956	1.2
91.05476	21.6
92.05772	1.1
93.03399	13.7
93.07038	60.5
94.07354	2.5
95.04976	7.3
95.08616	4.8
98.03658	2.8
103.05475	3.7
104.03110	1.8
105.04516	1.8
105.07027	9.5
105.07687	1.2
107.04930	2.4
107.08586	42.0
107.99420	0.8
108.04470	2.4
108.08954	1.4
109.06499	3.4
111.04441	13.4
112.04786	1.0
119.08572	1.4
121.02859	59.6
121.03959	12.2
121.06490	2.6
121.10126	14.4
122.03204	4.2
122.07121	1.7
131.04945	1.8
131.08560	1.5
138.52367	0.8
149.02338	100.0
149.08212	2.6
149.09624	3.5
149.13242	15.6
150.02657	5.3
150.03680	1.3
150.05508	3.0
150.09053	1.0
150.13608	0.9
163.03941	1.2
167.03394	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	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.8
51.45937	0.8
52.12094	0.7
53.03925	1.9
55.01857	2.2
55.05502	4.1
56.96555	3.7
65.03939	61.7
66.04274	2.7
67.05497	5.1
68.99776	1.3
69.07072	3.9
69.07387	0.9
69.79343	3.5
71.92192	0.6
78.04681	0.9
79.05491	10.6
80.04999	1.7
81.07055	13.1
83.04951	1.0
83.08627	0.8
87.62951	0.6
89.03903	0.8
91.05480	10.1
93.02813	1.1
93.03398	15.3
93.07041	27.0
94.07364	0.9
95.04971	4.5
95.08589	3.0
98.03675	3.6
100.02462	4.3
103.05483	3.3
104.40585	0.6
105.03365	1.3
105.04521	1.0
105.07056	3.8
105.07638	0.9
107.08589	14.0
108.04463	1.5
108.08879	0.6
109.06446	0.9
109.07613	0.6
110.08402	0.9
111.04446	15.3
116.38876	0.6
118.03526	4.4
121.02861	70.1
121.03961	15.3
121.06488	2.7
121.10149	8.4
122.03217	3.7
122.04018	0.6
122.06032	1.3
122.07118	2.2
131.04997	1.7
131.08553	1.1
133.02820	1.5
135.04387	2.1
149.02339	100.0
149.05954	2.2
149.08218	2.0
149.09619	4.3
149.13251	7.0
150.02698	8.4
150.03749	1.2
150.05487	4.6
163.03917	9.4
167.03441	2.8
169.03561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03935	9.3
55.01849	3.1
55.05486	7.2
57.03428	2.9
60.65297	2.4
65.03934	53.0
66.04280	3.1
67.05481	3.0
69.07068	12.5
69.93382	14.7
76.07032	2.2
79.05490	35.2
81.07040	10.8
83.08608	2.4
91.05468	48.4
92.05763	2.8
93.03375	12.3
93.07037	71.8
93.51817	2.5
95.04940	15.5
99.72958	2.3
103.05448	10.1
105.04528	2.7
105.07024	42.7
106.07810	5.1
107.04950	80.7
107.08586	49.0
109.06494	4.1
111.04432	11.2
116.06227	9.3
119.08567	6.4
121.02859	59.7
121.03955	9.8
121.06470	12.6
121.10132	47.5
122.07166	2.6
123.08035	5.5
129.07019	3.4
131.04980	3.8
131.08527	12.9
149.02335	100.0
149.05989	7.3
149.08379	5.0
149.09608	99.2
149.13252	10.4
150.02666	4.2
150.10086	5.3
165.25027	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	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01868	2.7
55.05510	5.3
55.25770	1.0
56.96557	4.1
57.07071	1.3
57.30022	1.0
64.74803	1.0
65.03941	56.5
66.04274	1.1
67.05489	3.0
68.99786	1.0
69.03453	1.8
69.07066	4.9
70.99900	2.3
71.00233	1.3
77.03918	1.2
79.05491	16.0
80.04997	3.1
81.03428	1.3
81.04518	1.9
81.07050	8.2
89.04412	0.9
91.05477	17.9
91.63319	0.9
92.05817	1.4
93.03400	11.6
93.07044	29.7
94.07333	1.4
95.04950	5.1
95.06071	1.2
98.03655	1.7
103.05475	13.9
105.04500	1.4
105.07030	20.4
106.07803	1.2
107.04933	3.3
107.08591	31.4
108.04476	1.9
108.08915	1.5
109.06532	2.8
109.07632	2.2
110.08414	4.4
111.03825	1.3
111.04460	13.0
112.04729	1.3
119.08615	5.8
119.63171	1.0
121.02862	65.3
121.03967	13.7
121.06490	7.8
121.10141	47.0
122.03191	3.0
122.06007	1.3
122.07144	4.7
122.10507	2.9
123.08053	4.4
131.04926	13.0
131.08525	1.9
133.07594	1.7
149.02341	100.0
149.05969	4.0
149.08351	2.2
149.09616	11.2
149.13243	9.8
150.02693	6.3
150.03764	1.5
150.05505	7.2
150.06596	2.1
150.10226	5.1
159.31732	0.9
165.11626	1.2
167.03416	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03935	5.1
54.38432	1.1
55.01860	3.2
55.05487	3.5
56.96549	1.8
64.12339	1.1
65.03600	1.9
65.03935	29.4
66.29649	1.1
67.05489	2.3
69.03426	6.0
69.66233	8.2
72.53463	1.4
72.66573	1.2
79.05488	27.3
80.05789	1.6
81.07051	3.9
86.23244	1.3
91.05475	73.3
92.05812	2.9
93.03389	6.5
93.07034	40.5
94.07345	2.2
95.04966	8.9
95.97285	1.4
98.03632	2.2
103.05453	15.8
105.04542	1.3
105.07024	54.4
106.07871	6.8
107.04987	2.8
107.08603	5.2
108.04509	1.5
109.06512	6.1
109.07632	2.5
110.08406	4.3
110.40070	1.2
111.04431	7.2
115.05433	10.5
116.06226	30.5
117.06583	2.1
119.08574	10.7
121.02857	35.0
121.03954	4.2
121.06495	23.8
121.10139	44.1
121.11008	2.3
122.05994	1.9
122.06985	1.7
122.10461	3.3
123.08063	8.6
128.06174	2.2
129.06999	9.8
131.04951	1.6
131.08560	29.8
132.08852	1.5
133.06613	1.4
133.07640	4.1
134.07259	3.3
147.08035	4.1
149.02339	47.3
149.05965	2.5
149.09607	100.0
150.02682	4.8
150.05492	3.2
150.10078	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	149.096
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
51.02375	1.8
53.03936	4.1
54.70719	1.0
55.01870	11.8
55.05491	4.0
56.96552	3.2
57.03418	1.0
59.76979	1.0
60.04511	1.0
65.03938	64.8
66.04250	2.0
67.05495	7.0
69.03431	2.0
69.07054	1.9
69.31286	12.0
77.03928	1.3
79.05488	29.7
80.05009	3.1
81.03403	1.1
81.04513	2.0
81.07037	4.0
83.04958	1.5
89.03922	1.5
89.41010	1.0
91.05471	28.6
93.03394	16.0
93.07036	29.8
93.28295	1.3
94.11181	1.2
95.04974	9.2
98.03644	3.0
103.04941	1.1
103.05462	9.6
105.03384	1.9
105.04503	1.8
105.07021	32.2
106.04169	1.4
107.04941	17.8
107.06097	1.3
107.08585	33.1
108.04454	4.5
109.06481	2.9
109.07623	3.3
110.08386	4.5
111.03796	1.4
111.04443	12.0
113.77790	1.1
116.06211	3.5
119.08578	2.1
121.02855	74.3
121.03947	11.7
121.06477	15.2
121.10132	7.5
122.03199	4.1
122.06026	4.2
122.07117	3.2
129.06992	2.5
131.04950	3.5
131.08572	13.1
133.06479	1.4
149.02332	100.0
149.05957	8.2
149.08386	2.4
149.09610	37.8
149.13228	2.0
150.02702	3.8
150.05507	4.4
150.10181	4.3
169.03426	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.1118
Annotation	Actinidine
Peak:m/z	Relative Intensity
53.32007	0.8
55.01857	1.4
56.05027	1.2
65.03938	20.0
67.05486	0.8
69.03419	0.9
69.62788	1.6
69.63188	5.9
72.89647	0.7
79.05506	4.2
84.04499	3.9
86.95117	0.8
91.05480	20.6
92.05781	4.0
93.03402	5.6
93.07048	3.9
95.04913	1.0
95.66168	0.9
98.20676	1.0
103.05472	5.2
104.06252	4.1
105.07035	26.3
105.86954	0.8
106.07382	2.1
107.04952	1.2
107.08572	1.9
111.04479	5.0
116.06223	2.3
118.06551	3.3
120.05296	2.8
120.08916	1.9
121.02870	25.4
121.03957	3.8
121.06483	2.0
121.10150	1.5
122.07201	1.2
130.06526	2.2
131.04945	1.7
131.08502	0.9
132.08099	13.0
133.08873	84.4
134.09218	3.7
142.23189	0.8
144.08052	1.8
146.09662	2.9
147.37967	0.9
148.04898	1.2
148.11203	100.0
149.02338	41.7
149.03287	1.0
149.05980	2.6
149.08244	1.1
149.09595	2.0
149.11566	6.5
149.13309	0.9
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-Glutamic acid
Peak:m/z	Relative Intensity
52.94467	0.3
56.05034	6.3
56.96562	1.6
65.03949	0.8
71.05024	0.4
78.79522	0.4
84.04504	100.0
84.08147	0.7
85.02915	2.6
85.04832	3.9
85.06554	0.8
87.28568	0.3
88.07613	0.4
93.03368	0.5
102.05538	14.9
103.05890	0.5
121.02880	0.9
128.98599	0.3
130.05002	7.7
131.05362	0.5
148.03978	0.7
148.06061	1.0
149.02365	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
58.40216	0.5
60.91471	0.5
65.03943	9.8
70.03889	2.2
84.04509	0.9
84.41171	0.5
85.02900	0.9
89.46137	0.5
91.05476	100.0
92.05817	4.1
95.04980	0.7
105.07043	2.1
117.06980	0.6
119.04938	87.6
119.08544	2.9
120.05247	3.1
147.04401	31.0
147.05400	1.2
147.11668	1.1
148.04742	2.0
150.12833	0.6
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
65.03943	11.3
70.49509	2.5
84.04495	0.7
91.05475	100.0
92.05811	3.6
95.04952	0.7
98.20849	0.8
105.07034	0.7
119.04935	90.0
120.05267	3.6
147.04407	30.9
147.08037	0.8
148.04773	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	147.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01863	2.5
55.05497	5.0
57.03187	1.6
57.03437	24.4
59.04976	2.5
61.02922	2.3
64.92782	1.9
65.03943	10.3
67.31640	1.1
67.49794	1.3
69.03394	2.8
71.01354	1.2
71.04989	78.4
72.05303	1.9
73.02908	3.2
75.04462	1.9
79.05481	3.3
81.07068	2.3
83.04964	3.8
84.04508	6.6
84.69130	1.1
85.02901	64.8
87.04462	4.9
88.03979	1.5
91.05476	100.0
92.05808	3.7
93.06992	2.1
95.04967	1.7
99.04385	1.4
103.05453	4.9
105.07027	22.1
107.04929	2.0
107.08569	1.7
117.06986	4.4
119.04939	78.3
119.08576	28.3
120.04465	2.5
120.05306	2.9
120.08975	1.3
123.96437	4.1
129.05386	1.3
129.06979	1.5
130.02856	1.3
130.04944	2.3
130.06511	2.4
132.09317	1.4
133.05257	1.3
147.04391	32.3
147.05525	13.2
147.06631	1.6
147.08025	7.0
147.09039	1.4
147.11667	13.5
148.03876	4.7
148.07590	3.0
148.08714	2.1
148.11229	1.4
151.24408	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43477	0.7
53.03939	2.2
55.01863	1.4
55.05508	3.3
56.05026	1.1
57.03430	9.3
59.05003	1.0
61.02917	1.1
65.03940	10.4
65.17834	1.0
65.89229	0.8
71.04990	34.2
73.02899	2.2
79.05501	2.4
81.07051	0.9
83.04977	2.4
84.04500	4.6
84.08128	1.3
85.02903	26.9
87.04497	1.2
91.05475	100.0
92.05014	1.8
92.05833	4.9
93.07044	0.9
95.05018	1.1
98.21530	1.7
102.05547	1.2
103.05468	2.6
104.06279	0.9
105.07023	22.8
117.07016	3.9
119.04939	76.7
119.08572	28.4
120.04469	2.1
120.05334	3.6
120.08913	1.0
121.07616	1.1
123.96487	2.0
129.07024	2.0
130.02902	1.2
130.05009	1.0
130.06537	1.9
131.08569	0.9
132.09395	1.6
133.08934	1.5
145.10168	2.1
147.04428	33.5
147.05554	7.6
147.06526	1.2
147.08090	5.0
147.09169	1.5
147.11679	13.9
148.03955	2.6
148.04909	2.0
148.07582	1.4
148.08640	1.5
148.11235	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.40163	0.5
57.16952	0.6
65.03939	11.9
69.75418	0.5
69.88482	3.1
72.47643	0.5
84.16811	0.6
91.05477	100.0
92.05827	3.8
98.20837	1.2
118.04195	0.5
119.04939	78.0
120.05270	3.0
129.65366	0.7
137.72929	0.5
147.04413	26.8
148.04776	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	146.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92718	0.4
55.05508	3.4
55.42778	0.4
56.05033	6.1
56.96557	1.0
57.03429	2.2
57.07072	2.2
58.06598	8.6
60.04525	2.6
61.02930	3.2
63.76271	0.6
64.92771	1.1
65.02763	0.5
65.03941	9.0
67.05504	5.2
68.05040	0.7
69.03452	0.6
69.07060	3.2
69.65031	2.6
70.06595	2.9
72.04498	0.5
72.08150	2.3
79.05473	1.3
81.07059	1.5
82.06585	1.2
83.04979	1.4
84.04498	1.8
84.08140	4.9
85.06536	1.6
86.06070	1.9
86.09704	17.6
88.07668	0.6
91.05477	100.0
92.05825	0.7
93.07060	0.5
95.04957	0.8
98.09687	6.8
98.21634	0.5
100.07591	0.8
100.11252	8.8
102.09176	1.8
103.05460	2.0
103.38857	0.4
104.64623	0.5
104.90875	0.5
105.04507	0.5
105.07022	10.9
106.07353	1.4
107.08595	0.6
108.00071	0.5
110.09679	1.1
111.08044	1.2
113.11887	0.5
117.07041	2.0
118.06571	5.1
118.07337	1.0
119.04938	89.1
119.08569	13.4
123.96469	1.9
128.04984	2.7
128.10709	1.4
129.03419	0.6
129.04483	0.7
129.07085	1.2
129.09123	1.4
131.05016	0.6
131.08134	0.9
132.09357	0.6
134.93694	0.5
145.10147	0.6
146.06018	10.3
146.07030	0.8
146.08144	1.5
146.10440	1.8
146.11755	5.0
147.04410	40.6
147.05472	2.6
147.08080	4.2
147.11685	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	146.06
Annotation	3-Methyleneoxindole
Peak:m/z	Relative Intensity
53.03941	0.7
53.96500	0.6
56.05046	1.5
56.96572	3.1
57.03443	1.9
58.06593	2.0
59.06115	1.4
61.15586	0.6
64.92812	0.7
65.03938	1.9
68.05022	0.8
70.06580	1.8
71.16977	1.6
72.08153	3.2
81.03432	0.6
81.67885	0.6
82.06561	0.7
84.04496	1.5
85.07665	0.7
86.06078	2.0
88.07630	2.0
91.05479	51.4
92.05829	1.2
95.04986	0.9
98.21482	0.6
99.05577	0.6
100.04823	0.9
100.07628	0.9
103.05463	1.2
104.90809	1.0
105.04541	1.0
105.07058	1.8
114.95052	0.6
117.05769	8.1
117.18559	0.6
118.06541	100.0
119.04944	18.3
119.06120	0.9
119.06835	4.4
119.08566	1.8
123.96482	1.3
128.04961	23.6
128.06987	0.8
129.04440	0.8
129.05316	1.1
129.06589	1.3
129.10239	2.3
137.47531	0.7
139.01826	0.7
146.06004	65.7
146.08052	1.6
147.04433	9.5
147.05472	1.8
147.06377	2.3
147.08060	0.7
147.09163	1.0
147.11646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.8
55.01867	2.0
56.96553	4.3
57.03423	2.1
57.52493	1.3
58.06592	1.8
59.06122	2.9
62.04525	1.3
62.92975	3.3
63.15354	1.2
67.05492	2.0
69.03426	3.6
69.79688	2.7
69.80105	6.7
70.06570	1.8
71.05002	7.1
72.08121	2.0
72.71398	1.1
78.24616	1.2
79.05491	4.1
81.03412	1.8
82.06580	2.9
82.62803	1.2
84.04520	2.8
84.06288	1.3
85.02898	3.8
85.04025	4.6
85.07698	2.5
86.06031	1.6
89.03909	16.1
91.04959	2.1
91.05483	27.3
95.04956	2.1
97.02931	1.9
99.04440	14.6
99.05517	1.2
103.05460	4.0
105.07021	86.2
106.07362	3.1
110.05987	1.4
115.05457	16.4
116.06229	4.1
117.03391	8.0
117.07009	37.3
118.06590	6.0
118.07304	1.5
120.12064	1.2
121.01643	3.1
121.96640	6.7
127.03920	2.2
128.04987	2.4
128.06230	7.9
129.07011	13.5
130.07796	48.8
131.04915	2.4
131.08070	2.6
139.01813	2.2
143.08521	9.2
145.06506	12.7
145.10118	100.0
146.06004	10.1
146.07091	2.8
146.10500	6.1
155.06012	2.1
164.33992	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0495
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
52.15117	1.0
53.03939	5.5
55.01866	14.7
55.05490	3.8
56.05016	2.5
56.96561	11.9
57.03437	39.1
58.06599	20.6
58.44201	1.2
59.04992	3.1
59.06931	1.2
59.07380	12.0
60.04517	2.2
60.05634	4.5
60.08162	2.3
60.30266	1.2
60.95863	2.0
61.02912	5.3
62.92962	2.5
67.01851	2.1
69.03429	63.6
69.50528	4.0
69.50962	5.9
70.03727	1.7
70.06580	4.4
71.01340	3.3
71.04993	17.5
71.06936	1.5
72.08146	4.4
73.02903	2.9
73.93501	1.2
74.06074	2.8
77.00887	2.9
78.52969	1.8
79.70567	1.3
81.03407	14.0
82.06566	4.8
83.01320	2.5
83.08346	1.2
84.08121	4.0
85.02901	100.0
85.08462	2.2
86.03233	2.6
86.06064	18.2
87.04470	20.4
87.53477	1.7
88.07626	1.5
91.02459	2.6
91.05466	2.5
92.01295	2.7
95.01347	2.2
95.01936	3.4
97.02286	1.8
97.02889	26.2
98.01282	1.6
98.09692	3.4
98.20792	2.9
99.04453	44.7
99.06364	1.5
99.10020	10.6
100.02494	10.7
100.07597	5.2
101.02449	2.0
102.02238	2.1
104.07098	3.2
105.07030	2.6
109.02872	3.2
109.03495	3.9
113.02345	1.8
114.04049	3.1
115.02412	2.6
115.03889	1.8
115.05439	2.0
116.98615	3.0
117.07022	3.3
118.03511	12.9
118.06536	3.0
118.08664	1.3
119.01907	8.0
119.03654	2.1
121.01648	8.9
121.61530	16.4
121.96613	2.7
122.11651	3.1
127.03912	12.3
128.07042	1.9
128.08162	1.4
130.07797	3.1
132.05038	4.8
133.03452	4.1
134.99651	2.3
137.02936	4.7
138.99020	1.2
139.01761	1.9
139.02698	5.2
144.61763	8.9
145.03816	2.5
145.04991	5.2
145.06522	1.4
145.10580	6.0
146.06015	3.0
146.08189	3.2
146.09238	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	144.1019
Annotation	(E)-4-(Trimethylammonio)but-2-enoate
Peak:m/z	Relative Intensity
55.01864	0.8
55.05502	1.0
56.05024	1.7
56.96564	10.0
57.03435	3.3
58.06336	0.6
58.06600	6.7
59.07383	2.9
60.08139	0.5
61.02925	2.0
69.03435	1.6
70.06591	7.6
70.98117	1.3
71.04970	0.4
71.58925	0.8
73.02928	0.6
77.00818	0.7
81.07040	0.5
82.04858	0.5
83.00748	0.5
84.01586	0.8
84.04509	1.0
84.08142	42.8
84.96048	0.9
85.02895	3.0
85.08479	1.0
86.06054	0.7
88.99146	0.8
92.13170	0.4
95.01348	0.6
97.02888	0.8
98.01285	1.0
98.06068	3.5
98.09692	100.0
98.15056	0.4
98.97602	3.1
99.04457	1.1
99.10017	2.6
100.02472	0.8
100.07602	0.6
102.05544	0.6
114.04072	0.4
116.98633	1.7
118.03523	0.6
119.01945	1.2
120.00757	0.4
120.02044	1.5
121.01662	1.7
121.61515	3.9
122.11614	0.5
134.99654	1.6
137.02901	0.5
138.03094	0.6
139.02751	0.6
142.96509	0.9
144.06606	0.9
144.10196	40.9
144.61783	2.9
145.10544	2.0
146.99675	0.7
160.97546	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
55.05511	0.3
56.05042	0.4
56.96566	1.3
57.03426	0.3
58.06598	0.3
59.06120	0.9
60.95848	0.4
62.00423	0.1
62.92988	0.3
63.34861	0.1
67.05511	0.5
69.03419	0.4
70.02951	0.1
70.06591	0.5
71.04977	1.0
71.58280	0.2
71.58714	0.3
72.08157	0.2
73.02913	0.2
73.43430	0.2
77.00887	0.2
79.00655	0.2
79.05473	0.2
81.03428	0.4
81.07062	0.2
82.06586	0.6
84.99623	0.6
85.02915	0.3
85.04024	1.3
85.07680	0.6
86.06077	0.5
86.08459	0.2
91.05486	0.4
93.07025	0.3
95.01942	0.2
95.08597	0.2
96.35323	0.2
99.04441	1.4
100.02480	1.0
101.00881	1.2
102.00977	0.2
102.05507	0.2
102.91167	0.2
103.00620	5.6
103.01159	0.3
103.02488	0.2
104.00976	0.2
104.07106	0.3
105.07053	0.3
110.06013	0.4
111.58224	0.2
117.07066	0.3
118.03520	1.5
118.06550	0.3
118.07355	0.2
119.01920	19.9
120.02008	3.9
120.03179	1.0
121.01662	100.0
121.96639	0.4
122.01183	0.2
122.01958	2.7
123.02090	0.5
124.06308	0.2
127.08701	0.3
128.07103	0.2
130.07729	0.3
130.52727	0.2
133.06757	0.2
134.02953	0.2
135.03236	0.4
135.05029	0.2
136.04578	0.4
137.02953	14.3
137.98309	0.2
138.03053	3.2
138.04280	0.6
139.02692	77.9
139.99318	0.7
140.03000	2.0
140.52141	0.4
141.03151	0.7
141.05106	1.1
142.03494	5.4
143.03603	0.6
144.03226	4.1
144.05022	0.2
144.92197	0.2
145.02444	0.2
145.03596	2.7
145.05228	0.3
145.06482	0.2
145.09628	1.0
146.05991	0.4
147.05000	0.2
153.04208	0.3
159.05017	0.2
159.06143	1.1
160.04546	2.3
161.04721	0.6
161.06558	0.3
162.04305	2.3
163.03545	0.2
163.04750	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	144.102
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92067	0.2
53.03949	0.5
55.01865	0.5
55.05504	0.7
56.05031	4.7
56.96560	8.1
57.03420	1.5
58.02959	0.2
58.06599	2.4
59.05000	0.8
59.06109	1.2
59.07375	1.6
60.04519	1.0
60.08170	0.5
60.95847	0.6
61.02911	0.5
62.92979	1.2
67.05489	0.6
68.05033	0.3
69.03419	0.8
70.06580	1.3
70.45210	0.7
70.98122	0.7
71.04988	1.0
71.95253	0.3
72.04526	0.3
72.08151	0.3
73.02901	0.5
74.06078	0.2
74.97606	0.2
75.01009	0.2
75.04460	0.5
77.00798	0.2
80.00197	0.2
81.03407	0.6
82.06556	0.4
83.00777	0.5
83.01329	0.5
83.06096	0.4
84.01562	0.6
84.04502	0.9
84.08135	100.0
84.96027	0.4
84.99269	0.4
85.02892	4.0
85.04034	0.6
85.07690	0.5
85.08456	2.6
86.06068	0.8
86.51829	0.2
87.00835	0.4
87.04432	0.2
88.99149	0.4
89.00764	0.4
95.01334	0.3
95.89622	0.2
97.00831	0.3
97.02879	0.6
97.07658	0.5
98.01286	0.9
98.06034	1.4
98.09679	3.6
98.97587	1.3
99.04446	2.4
99.05561	0.3
100.07629	0.2
101.02319	0.3
101.07135	0.7
102.96849	0.5
104.01279	0.5
106.01017	0.3
107.00226	0.2
108.01463	0.3
109.07613	0.8
110.01288	0.2
110.97562	0.3
113.02998	0.5
116.98643	1.5
117.01844	0.6
118.01004	0.4
119.01843	0.3
120.00729	0.2
120.02006	0.5
120.97893	0.9
121.00845	0.4
121.01678	0.8
121.61514	2.0
121.96631	2.1
122.11653	0.3
122.51689	0.5
126.03720	0.4
126.05522	0.4
126.09115	0.5
127.03918	0.5
127.08665	0.5
128.98587	0.5
130.02786	0.3
134.99657	0.7
138.03056	0.5
138.98911	1.2
139.01816	1.2
139.02682	0.4
141.01154	0.2
142.96516	0.4
144.03700	0.9
144.04778	0.9
144.06534	0.9
144.10187	8.7
144.11333	0.4
144.13797	0.3
144.61784	1.9
145.04979	0.4
145.09729	0.4
146.99628	0.7
156.99963	0.3
160.97601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0807
Annotation	3-METHYLQUINOLINE
Peak:m/z	Relative Intensity
51.02349	0.4
53.03934	1.6
55.01866	0.9
55.05503	0.8
56.05029	2.3
56.96555	0.5
57.03424	1.3
57.04543	1.1
57.06411	0.3
57.07069	0.4
58.02954	0.5
58.06592	1.6
59.06120	6.0
60.04520	1.6
60.95841	1.6
61.42694	0.4
62.92973	1.4
66.77708	0.4
67.05487	0.4
68.05020	1.0
69.03439	2.5
69.04548	0.5
70.06599	2.5
70.59414	0.3
71.04983	2.7
71.58959	0.4
71.59333	0.6
72.04514	0.8
72.08144	0.5
74.06078	0.8
78.99744	0.4
81.03402	1.5
81.07084	0.6
82.06581	1.5
83.06077	0.6
84.04493	2.3
84.08140	2.2
85.02899	8.5
85.04025	2.4
85.07666	1.4
86.06065	2.5
87.04485	0.4
88.07614	0.6
89.03899	0.5
91.05463	3.1
93.03734	0.5
95.04971	1.5
97.00813	2.8
97.02885	2.2
97.07648	0.6
98.03281	0.5
98.06056	2.7
98.09692	1.8
99.04458	6.2
99.05556	1.3
99.09204	0.5
100.05074	0.5
100.07599	0.5
101.07133	3.9
102.05537	0.5
102.06629	0.5
102.96859	1.2
103.05473	4.0
104.07073	0.7
105.07027	2.0
109.07638	4.2
110.06036	0.7
111.07940	1.0
111.28255	0.4
112.05057	0.7
113.02979	0.4
114.06615	0.4
115.05441	7.0
116.04960	0.4
117.05793	1.8
117.07011	13.6
118.06533	0.6
119.01928	0.5
120.01976	1.8
120.97920	2.0
121.00775	1.7
121.01661	1.5
121.61503	0.4
121.96643	3.1
126.02725	0.7
126.03751	0.4
126.05543	0.8
126.06578	0.5
127.03919	0.9
127.05061	1.1
127.08660	1.4
128.04980	3.0
128.06161	0.7
128.07069	0.4
129.06851	0.6
130.07784	1.3
135.98010	0.3
138.03110	0.8
138.98933	4.6
139.01805	7.6
139.02733	0.6
142.06508	0.7
143.07297	15.5
144.03748	2.8
144.08076	100.0
145.05299	0.7
145.06514	5.0
145.08452	5.3
145.10165	2.5
146.05899	1.8
155.06050	2.9
156.99992	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.2
55.05501	1.9
56.05028	7.2
56.96555	4.0
57.03434	1.8
58.02938	1.4
58.06598	5.7
58.06848	1.0
59.06125	17.2
60.04522	5.3
60.95852	9.7
60.98723	2.0
61.92848	1.0
62.92975	2.7
65.61018	1.0
67.30204	1.1
68.05030	1.7
69.03422	3.2
69.04536	1.5
70.06590	9.1
70.73354	1.1
71.05002	5.3
71.07320	1.1
71.37228	2.6
72.04522	1.2
72.08142	2.3
74.06076	2.3
75.05626	1.0
78.99757	3.3
81.03400	2.6
81.04566	1.3
82.06572	4.2
83.06102	5.7
84.04520	6.5
84.08138	3.3
85.02897	12.5
85.04019	6.2
85.07658	4.8
86.06057	11.5
86.08458	1.5
97.00806	22.2
97.02860	1.9
97.07643	3.6
97.40260	1.0
98.06045	5.7
98.09653	1.5
99.04468	9.8
99.05561	4.9
99.09174	1.1
100.07599	1.8
101.00889	1.3
101.07150	6.5
102.00987	3.9
102.02242	2.4
102.05524	1.9
102.96870	6.3
103.00636	6.1
109.07646	13.0
110.06044	2.9
114.33633	1.1
116.07024	1.0
117.07008	1.2
118.03525	1.3
119.01920	19.0
119.02931	2.0
120.02013	59.1
120.03239	14.5
120.04060	1.6
120.96523	1.4
120.97905	13.5
121.00796	10.9
121.01656	100.0
121.02323	3.6
121.96635	5.1
126.05481	2.9
127.03927	2.3
127.05021	1.7
127.05910	1.1
127.08691	7.4
128.07019	1.6
137.02989	11.8
137.04001	3.1
138.03055	49.3
138.04274	24.2
138.49901	3.1
138.98950	24.7
139.01790	47.0
139.02713	65.5
139.03566	3.1
142.03485	1.7
143.03595	3.5
144.03163	20.9
144.06580	4.1
144.08035	4.7
144.10185	1.4
144.11305	2.2
145.03644	1.5
145.04962	1.3
145.06453	1.5
145.09776	3.9
147.48557	1.8
156.99992	7.6
161.04640	1.5
162.03157	1.3
162.04300	22.1
163.79494	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04293	2.9
53.51399	2.6
54.48038	2.7
58.58152	3.1
71.08810	7.7
101.00882	12.1
118.03497	6.6
119.01917	100.0
120.01991	3.6
136.04564	8.2
137.02940	38.4
138.03006	2.8
142.03494	21.2
142.54820	3.1
160.04562	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	143.0338
Annotation	KOJIC ACID
Peak:m/z	Relative Intensity
50.56962	0.2
53.03941	0.3
55.01868	1.6
55.05492	0.5
56.05032	1.3
56.96547	0.7
58.06586	0.4
59.04993	0.5
59.06109	1.0
60.04520	0.4
68.05019	0.5
69.03425	9.5
69.49264	1.9
70.06572	1.0
70.30750	0.2
71.01334	0.4
72.04507	0.6
72.08136	0.4
79.01839	0.2
80.05014	0.6
83.01337	0.6
83.06093	1.8
84.04491	1.1
84.08122	0.7
85.02890	0.8
86.06068	1.5
87.06861	0.3
97.00802	0.4
97.02885	3.3
97.06509	0.8
97.07651	1.2
97.68362	0.3
98.06048	0.8
98.09663	0.6
98.21564	0.4
98.94952	0.2
99.05568	0.4
101.00863	0.3
101.07145	0.7
102.05528	0.5
102.96878	0.5
109.07636	0.4
113.07127	0.5
115.03924	0.3
119.01913	3.4
120.01992	0.5
120.97894	0.6
121.00765	0.4
125.02336	4.8
125.07099	0.7
126.05512	0.4
128.01086	0.6
128.06216	0.3
137.02982	1.5
138.03040	0.3
138.98949	0.9
139.01801	1.3
143.03384	100.0
143.08192	0.7
143.11736	0.3
144.03717	2.9
144.04733	0.3
156.99965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.13251	0.3
52.89983	0.3
53.03946	0.8
54.03463	0.4
55.01869	6.1
55.05502	3.6
56.05026	1.0
56.96563	24.9
57.04551	0.7
57.93562	1.1
59.04978	0.4
60.67038	0.4
65.03600	0.6
65.03938	10.7
67.01850	1.7
67.05500	2.3
68.05021	0.6
68.99786	8.9
69.03425	3.0
69.04532	0.4
69.07042	0.6
71.01341	1.5
71.06108	1.1
71.11948	1.0
71.95268	2.5
75.60064	0.4
79.05495	1.2
81.24597	0.4
82.02953	0.5
83.04974	7.5
83.06063	0.7
93.03402	5.8
93.07043	1.2
95.04976	1.3
95.06097	0.8
95.08578	0.6
96.05591	0.5
97.02888	3.2
97.06528	0.5
97.07632	0.5
98.07183	3.6
98.97576	29.8
99.05571	1.2
111.04433	33.2
112.04018	0.4
112.04787	1.2
115.03925	0.5
116.00204	0.7
116.97227	1.8
116.98612	43.2
119.77811	0.4
121.02844	1.4
121.04001	0.8
122.06114	0.4
122.07153	1.9
123.05516	2.1
134.99651	44.7
139.03894	100.0
139.09798	0.9
139.11128	0.8
140.00188	1.4
140.03275	0.5
140.04242	5.3
140.08157	2.1
153.00706	10.1
153.01903	0.7
158.01228	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	139.0389
Annotation	Sesamol
Peak:m/z	Relative Intensity
53.03940	3.3
54.03465	0.7
55.01869	6.9
55.05508	3.2
56.05027	1.8
56.96563	6.6
59.04997	1.0
59.06078	0.6
65.03600	1.2
65.03934	17.7
67.01862	4.8
67.05504	6.4
68.99783	15.0
69.03413	2.9
69.81654	0.5
70.05567	1.0
70.05978	2.0
71.01341	1.8
71.95267	0.6
81.04520	1.0
83.04977	9.1
83.06088	1.1
84.04494	0.7
86.39404	0.6
93.03397	13.9
93.07061	0.6
95.04950	3.5
95.06060	1.0
96.05617	1.5
97.02897	3.1
97.06401	1.0
98.07186	2.7
98.97575	14.6
99.00800	0.9
99.05560	0.7
106.21674	0.5
111.04433	31.5
112.04789	1.1
112.08694	0.6
112.50211	0.5
116.97281	1.1
116.98614	13.3
121.02862	2.3
122.07125	1.4
123.05525	1.4
126.61082	0.5
134.99652	10.4
139.03889	100.0
139.09814	1.9
140.04224	4.4
140.08179	0.9
153.00700	1.8
159.67088	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13251	0.3
52.89983	0.3
53.03946	0.8
54.03463	0.4
55.01869	6.1
55.05502	3.6
56.05026	1.0
56.96563	24.9
57.04551	0.7
57.93562	1.1
59.04978	0.4
60.67038	0.4
65.03600	0.6
65.03938	10.7
67.01850	1.7
67.05500	2.3
68.05021	0.6
68.99786	8.9
69.03425	3.0
69.04532	0.4
69.07042	0.6
71.01341	1.5
71.06108	1.1
71.11948	1.0
71.95268	2.5
75.60064	0.4
79.05495	1.2
81.24597	0.4
82.02953	0.5
83.04974	7.5
83.06063	0.7
93.03402	5.8
93.07043	1.2
95.04976	1.3
95.06097	0.8
95.08578	0.6
96.05591	0.5
97.02888	3.2
97.06528	0.5
97.07632	0.5
98.07183	3.6
98.97576	29.8
99.05571	1.2
111.04433	33.2
112.04018	0.4
112.04787	1.2
115.03925	0.5
116.00204	0.7
116.97227	1.8
116.98612	43.2
119.77811	0.4
121.02844	1.4
121.04001	0.8
122.06114	0.4
122.07153	1.9
123.05516	2.1
134.99651	44.7
139.03894	100.0
139.09798	0.9
139.11128	0.8
140.00188	1.4
140.03275	0.5
140.04242	5.3
140.08157	2.1
153.00706	10.1
153.01903	0.7
158.01228	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	139.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14912	0.5
53.00309	0.5
53.03944	2.8
53.63903	0.4
55.01619	0.7
55.01869	8.8
55.05510	3.8
56.05033	0.7
56.96566	4.4
59.04994	0.5
65.03601	1.0
65.03936	18.3
67.01861	4.1
67.05498	7.3
68.05817	0.6
68.99785	13.7
69.03425	3.1
70.40266	0.6
70.75078	1.5
71.01344	2.5
71.14848	0.5
76.71739	0.5
81.04530	0.5
83.04977	9.8
83.06089	1.1
93.03399	11.8
95.04942	2.6
96.05595	0.7
97.02880	3.3
97.06467	1.0
98.07182	1.2
98.97576	7.7
99.05566	0.8
111.04435	34.1
112.04753	1.4
112.08712	0.7
116.98611	7.6
121.02866	1.5
122.07105	0.8
123.05508	0.8
134.99661	5.2
139.03896	100.0
139.09778	1.0
140.04250	4.7
140.08165	1.1
153.00725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0388
Annotation	Sesamol
Peak:m/z	Relative Intensity
51.02383	0.3
53.03939	2.4
55.01622	0.4
55.01865	6.1
55.05503	3.4
56.05001	0.3
56.96560	2.8
59.04980	0.8
59.21928	0.3
64.81744	0.3
65.03934	15.5
67.01528	0.3
67.01863	4.5
67.05499	6.7
68.02150	0.3
68.99783	12.3
69.03413	3.1
70.00054	0.7
70.00446	1.2
71.01344	2.6
73.56868	0.3
79.05449	0.3
83.04970	7.7
91.05474	0.3
93.02799	0.6
93.03395	10.6
94.03724	0.8
95.04959	2.0
97.02884	2.8
98.07188	0.6
98.97562	4.0
98.98244	0.4
98.98418	0.4
99.00794	0.7
111.04429	29.5
112.04784	0.6
115.03914	0.4
116.97309	0.3
116.98607	4.8
119.24293	0.3
121.02850	1.5
121.03812	0.4
122.07139	0.4
123.05579	0.5
134.99626	3.7
135.66814	0.3
139.03885	100.0
140.04216	4.5
140.08162	0.4
153.00703	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1325
Annotation	(S)-(+)-alpha-Phellandrene
Peak:m/z	Relative Intensity
53.03943	2.5
55.01847	1.2
55.05514	6.3
56.03794	0.7
57.03447	0.7
57.07076	12.0
65.03944	2.6
66.04720	3.8
67.05504	30.1
68.05838	0.9
69.03439	0.7
69.04562	1.1
69.07069	7.8
69.50079	0.7
69.50421	6.1
79.05489	11.0
81.03409	1.7
81.04537	1.3
81.07056	67.0
82.06577	1.0
82.07391	2.6
91.05477	6.4
93.07051	7.2
94.04185	28.4
95.05010	3.4
95.08604	100.0
96.08931	5.0
97.06383	2.4
98.04800	0.9
105.03394	0.7
107.04936	1.7
108.53159	0.7
109.02825	0.8
109.06513	2.1
109.07689	0.9
109.10146	11.0
110.06028	0.6
110.07166	2.5
111.05554	0.9
119.08636	1.0
120.04431	0.8
121.02850	0.7
122.03642	36.4
122.07283	2.9
123.03974	1.9
135.04399	0.7
137.02492	4.2
137.05971	54.1
137.09630	6.7
137.13237	12.0
138.01703	1.5
138.05472	2.1
138.06398	3.6
138.09131	1.0
138.13651	1.4
157.93085	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0387
Annotation	Sesamol
Peak:m/z	Relative Intensity
50.27088	0.3
53.00305	0.4
53.03938	0.8
54.03465	0.9
55.01874	6.6
55.05508	3.9
56.03770	0.4
56.05033	1.7
56.96564	15.3
57.04555	0.4
57.93550	1.1
59.06104	0.5
65.03940	9.8
66.04275	0.4
67.01864	2.0
67.05502	2.3
68.04989	0.5
68.99425	0.6
68.99788	8.5
69.03430	4.8
69.04520	0.4
69.63770	0.3
70.06582	0.6
71.01337	1.2
71.06094	1.0
71.59650	0.6
71.95261	1.2
72.04515	0.5
79.05476	0.7
81.04535	1.6
81.07059	0.3
83.04981	8.0
83.06055	0.7
91.05495	0.4
93.03411	5.8
93.07024	1.4
95.04967	1.5
95.06067	0.9
95.08579	0.5
96.04468	0.6
96.05624	0.9
97.02901	3.1
97.06490	1.5
97.07689	0.8
98.07166	4.4
98.97581	17.2
98.98429	0.9
99.00786	0.5
99.05600	1.1
109.83183	0.3
111.04439	31.3
111.09196	0.4
112.04001	0.4
112.04772	1.1
112.08733	0.7
115.03887	0.6
116.97222	2.2
116.98618	23.5
121.02854	1.2
121.04008	0.7
121.06545	0.4
121.10159	0.8
122.06354	0.4
122.07164	2.9
123.05548	2.1
125.02303	0.4
134.99660	25.1
139.03899	100.0
139.09776	2.4
139.11180	0.8
140.00197	0.8
140.04242	4.8
140.08185	2.5
141.06619	0.4
153.00706	5.2
158.01225	0.7
159.25002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	5.3
55.01865	3.7
55.05510	8.4
65.03940	5.8
65.90335	0.9
66.04711	3.6
67.05502	68.8
68.05824	2.0
69.03421	4.0
69.07052	2.2
69.87322	5.2
72.04500	1.4
77.03954	1.3
79.05496	12.4
81.03410	5.9
81.04531	1.6
81.07052	27.6
82.07397	0.9
83.04972	3.9
91.05476	38.2
92.05817	1.4
93.07039	9.2
94.04182	23.8
94.07818	2.7
95.04444	1.6
95.04972	18.5
95.08606	11.9
96.05679	2.0
97.06413	4.2
103.05438	2.5
104.06297	1.5
105.07069	1.1
107.04204	1.0
107.04949	31.6
107.08572	6.8
108.05728	3.6
109.06512	58.5
109.10149	53.2
110.07060	3.0
110.10485	2.1
117.07069	4.0
119.06042	2.2
119.08578	21.7
121.06480	8.6
122.03647	29.3
122.07282	100.0
123.03995	1.0
123.07625	3.5
135.08061	3.6
137.02348	3.6
137.03398	1.5
137.05977	42.0
137.09608	97.4
138.06404	1.8
138.09966	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.72004	0.7
53.03938	6.1
54.03460	1.8
55.01870	4.6
55.05508	6.8
56.05013	1.4
56.84757	0.8
57.03413	0.9
57.63975	0.7
59.04991	1.1
65.03933	5.5
66.04713	3.1
67.05499	72.3
68.05007	1.2
68.05817	1.7
69.03435	4.7
69.04546	2.2
69.07044	3.4
71.20385	1.7
77.03904	0.8
79.05058	1.0
79.05486	14.2
81.03418	6.3
81.04544	4.8
81.07047	29.6
82.06556	0.9
82.07352	1.3
83.04971	3.0
83.06091	2.6
91.05471	37.1
92.05820	1.0
93.07040	11.4
94.04178	25.2
94.04771	1.5
94.07815	3.3
95.04970	19.7
95.06009	1.0
95.08595	11.6
95.92929	0.7
96.05618	1.8
97.06393	7.6
97.07635	1.4
98.04788	1.0
103.05444	2.3
104.06243	1.8
105.03418	0.8
105.04519	1.8
105.07000	1.1
107.04942	27.9
107.08572	6.0
108.05721	3.3
109.06510	55.3
109.10145	52.2
110.07128	5.8
110.10485	1.7
111.04425	0.7
111.05562	1.8
115.05455	0.7
117.07011	5.5
119.06081	2.7
119.08566	19.6
120.05553	1.2
121.01324	0.7
121.02883	0.8
121.03952	0.7
121.06495	10.0
122.02747	1.1
122.03644	30.0
122.07273	96.5
123.03942	1.4
123.07607	3.1
135.08073	3.9
137.02368	3.4
137.04868	1.2
137.05969	48.8
137.08247	2.9
137.09605	100.0
138.05418	1.5
138.06485	3.8
138.09077	1.3
138.10025	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	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
54.03467	2.8
55.01860	6.1
55.05511	8.4
57.03439	1.8
57.07067	1.7
65.03950	9.7
66.04710	5.4
67.05503	75.7
68.05013	2.9
68.05803	1.9
69.03422	4.5
69.04530	4.8
69.07060	3.6
69.53851	12.4
72.04505	3.0
74.14461	1.5
79.02971	1.5
79.05487	20.8
80.05006	2.4
81.03418	7.9
81.04547	10.8
81.07051	32.2
82.06584	4.0
83.04940	3.8
83.06084	2.6
91.05478	56.5
92.05818	2.8
93.07036	13.2
94.04182	44.5
94.06557	2.1
94.07819	1.6
95.04967	25.8
95.06028	2.0
95.08605	26.0
96.04472	2.2
96.05626	4.8
97.06394	17.9
97.07676	2.9
98.04778	3.5
103.05455	3.7
105.04494	1.6
105.07001	2.5
107.04952	24.2
107.08599	8.7
108.05733	2.5
109.05782	3.0
109.06522	45.9
109.07635	2.2
109.10149	46.8
110.06045	2.0
110.07204	14.9
110.10482	1.7
111.05540	5.0
117.07019	5.5
119.04956	2.4
119.06059	1.9
119.08567	23.6
120.04449	1.5
120.05558	4.1
121.06496	6.2
122.03643	57.6
122.07281	80.6
123.03917	1.8
123.07624	3.1
135.08037	3.4
137.02380	6.9
137.03482	2.3
137.04880	1.7
137.05977	94.3
137.08253	9.1
137.09610	100.0
138.05492	5.2
138.06578	8.7
138.09100	2.0
138.10127	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	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.02359	0.8
53.03919	2.2
55.01859	1.5
55.05489	3.0
57.07061	0.6
65.03935	1.7
66.04720	3.2
67.05499	29.6
68.05003	1.0
69.03409	1.7
69.04527	0.9
69.07047	1.6
70.73999	1.3
70.74371	1.4
77.03912	1.4
79.05488	6.9
81.03407	2.1
81.04532	2.2
81.07052	12.1
82.06562	0.8
90.33937	0.6
91.05475	16.2
92.05798	0.7
93.07047	4.5
94.04182	28.6
94.07841	1.7
95.04443	0.9
95.04977	6.3
95.08595	11.2
96.04440	0.9
96.08900	1.0
97.06397	4.5
103.05421	1.5
104.06221	1.1
107.04945	25.4
107.08590	1.7
109.06508	2.2
109.10147	31.9
109.14952	0.6
110.06008	0.8
110.07164	4.2
110.07823	0.9
110.10445	0.8
111.05577	0.8
117.06992	1.6
118.00105	0.7
118.46362	0.7
119.08569	15.1
120.05514	0.8
121.06487	10.0
122.02736	1.1
122.03640	36.0
122.07278	100.0
123.03982	1.0
123.07633	2.9
135.08032	3.9
137.02451	3.5
137.05972	51.8
137.09605	85.3
138.05438	1.6
138.06453	3.5
138.10001	3.9
156.01904	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
50.38999	0.6
51.02404	0.6
53.03932	3.0
54.03456	1.2
55.01859	2.0
55.05495	1.9
56.03761	1.0
56.05007	0.6
60.90973	0.6
65.03945	3.1
66.04713	6.6
67.05502	26.6
67.55357	0.7
68.05028	0.7
69.03418	1.8
69.04538	2.2
69.07056	1.9
71.51622	1.1
72.04506	1.0
77.03893	1.0
79.05483	7.9
80.04993	0.8
81.03419	2.1
81.04534	2.0
81.07056	11.5
82.06590	0.9
83.06107	1.6
91.05475	18.1
93.07018	3.7
94.04179	47.7
95.04516	0.8
95.04974	7.3
95.06109	1.1
95.08601	9.9
96.04472	0.8
96.05652	1.0
97.06387	6.4
98.04800	1.6
103.05440	0.7
104.06226	1.2
105.04482	0.8
107.04945	17.6
107.08598	1.1
108.05289	0.7
109.02892	0.8
109.06538	3.8
109.10148	27.5
110.06040	1.5
110.07180	4.5
110.10426	0.7
111.05559	1.3
115.10372	0.7
117.07006	2.0
119.05006	0.9
119.08575	12.7
120.08906	0.7
121.06505	7.7
121.07439	0.8
121.07607	0.7
122.03645	62.5
122.07280	80.6
123.03996	2.9
123.07626	2.7
135.08052	3.1
137.02493	5.1
137.05974	100.0
137.09607	66.7
138.01772	0.8
138.05440	1.6
138.06435	5.7
138.09991	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02367	0.6
52.52094	0.5
53.03937	0.8
54.03452	0.6
55.01862	0.7
56.03777	0.5
61.95818	0.5
65.03932	2.1
66.04715	7.1
67.05487	2.4
68.05002	0.7
69.04530	0.7
69.33591	5.8
77.03932	0.9
79.05495	5.0
81.03416	0.9
81.04552	2.6
81.07052	4.0
82.06554	0.8
82.07353	0.6
83.06087	1.0
91.05479	6.5
93.07068	0.7
94.04182	48.4
95.04459	1.3
95.05006	2.6
95.08610	1.5
96.05588	0.8
96.79541	0.6
97.06382	3.0
107.04950	3.4
109.06494	2.5
109.10176	1.1
110.07150	1.7
111.05559	1.6
114.94950	0.5
116.02143	0.5
118.04679	0.5
119.04919	0.9
119.08644	0.6
120.05626	0.6
121.07648	0.6
122.03642	71.2
122.07331	1.2
123.03983	2.4
137.05968	100.0
137.08195	2.4
137.09561	2.2
138.06322	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02390	0.6
53.03944	1.3
54.03474	0.3
55.01876	0.6
55.05519	0.4
59.43996	0.3
62.64032	0.3
65.03958	1.8
66.04719	7.4
67.05505	3.0
69.03441	0.4
69.04565	0.5
71.09742	0.4
71.10058	0.5
72.96742	0.3
73.94958	0.3
77.03926	0.7
79.05494	4.8
81.03415	0.9
81.04557	0.6
81.07050	3.8
83.06088	0.5
91.05477	5.9
93.03367	0.4
93.07038	1.0
94.04185	50.8
95.04491	1.3
95.05011	2.4
95.06062	0.4
95.08608	3.1
96.05605	0.7
97.06387	2.4
98.04832	0.5
101.40921	0.3
105.03397	1.1
105.04503	0.4
107.04959	2.3
109.06513	1.6
109.10159	0.7
110.06056	0.4
110.07160	1.9
119.08586	0.4
120.05583	0.4
122.03645	68.8
122.07270	1.2
123.03996	2.2
135.04425	0.5
136.97488	0.3
137.02527	1.6
137.05972	100.0
137.09528	2.3
137.13203	0.3
138.01770	0.6
138.05469	0.5
138.06340	4.5
138.10219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02371	0.4
53.03941	1.2
55.01863	0.5
55.73710	0.2
65.03938	1.9
66.04715	8.5
67.05032	0.2
67.05495	1.4
69.03424	0.6
70.33318	0.6
76.41500	0.2
77.03909	1.3
79.05051	0.4
79.05486	4.7
81.03417	0.4
81.07053	2.6
91.05476	4.4
93.03372	0.3
93.07042	0.3
94.04178	54.3
95.04417	1.0
95.05019	1.8
95.08593	0.6
100.66664	0.2
105.03387	0.8
105.04460	0.3
107.04948	1.9
109.06504	1.3
109.10188	0.2
119.04959	0.3
122.03637	71.6
123.03954	2.6
135.04391	0.8
137.05963	100.0
138.05484	0.4
138.06316	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	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.01611	0.3
51.02374	0.5
53.03938	1.0
54.23368	0.3
55.01865	0.6
65.03938	2.0
66.04721	8.0
67.05499	0.6
69.03416	0.6
69.47809	2.3
77.03925	0.7
79.05492	5.1
81.07047	2.1
87.09293	0.3
90.20013	0.3
91.05484	4.1
91.80476	0.3
94.04183	59.1
95.04411	1.5
95.05031	2.0
96.58884	0.3
104.82182	0.3
105.03383	0.9
107.04974	2.2
109.06490	0.8
122.03642	75.4
123.03984	2.5
135.04395	0.8
137.05971	100.0
138.06308	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
53.03928	0.8
54.03445	0.6
56.96547	0.9
67.02966	0.7
68.05011	1.5
69.04549	0.4
69.95365	1.9
79.05470	0.8
80.05005	1.1
80.05799	0.4
81.03401	1.2
81.04527	1.3
81.07053	0.8
91.05477	3.3
92.02469	0.8
93.07022	0.5
94.04068	4.5
94.06571	0.6
95.04953	0.8
95.06076	1.6
95.08632	0.6
96.05621	0.6
96.06870	2.1
97.06358	1.1
107.04932	0.5
107.17417	0.4
108.08090	0.6
109.01097	1.4
109.05187	0.7
109.06493	1.2
109.07649	2.5
110.07153	1.1
116.93089	0.4
118.06487	0.7
118.46277	0.3
119.03544	11.4
119.04871	0.8
119.06041	0.6
122.03645	1.1
131.01949	0.7
136.02161	11.0
136.06178	100.0
136.08659	2.9
137.02422	1.0
137.03491	0.5
137.04573	9.2
137.05910	2.3
137.06744	0.7
137.08205	1.4
137.09531	0.9
139.56476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.02376	0.6
53.03941	6.0
54.03478	0.9
55.01865	1.6
55.05510	8.3
56.96571	0.9
57.07073	1.1
61.82160	0.6
65.03936	4.5
67.05506	2.8
68.05017	4.2
69.07065	2.7
70.84090	1.3
77.03915	1.0
79.05489	30.9
80.05032	1.4
80.05814	0.9
81.03405	0.9
81.07065	3.2
81.07455	0.6
82.06572	1.1
87.05583	1.9
87.09182	0.6
89.03913	6.7
90.55535	0.6
91.05478	69.0
92.05805	2.3
92.06309	1.1
93.04496	0.8
93.05794	1.8
93.07041	46.8
94.07327	1.1
95.04960	14.3
95.06023	3.0
95.08599	1.1
96.06869	3.9
103.05463	1.7
104.06283	1.4
105.04523	3.7
105.07031	33.8
106.07881	1.6
107.04961	9.2
107.08591	100.0
108.05651	0.8
108.08208	1.2
108.08931	3.5
109.01138	1.5
109.06516	14.3
109.07621	5.4
112.66522	0.6
115.05476	2.8
117.03381	2.8
117.07024	5.4
118.06543	0.7
119.06065	4.9
119.08575	19.9
120.09408	6.9
133.10136	1.5
135.04404	9.6
135.05522	3.0
135.06525	1.0
135.07024	0.7
135.08070	10.3
135.11684	23.8
136.02161	18.8
136.03873	1.6
136.05099	0.9
136.06172	2.6
136.07643	1.1
136.08667	6.5
136.11122	0.7
136.12062	0.9
137.09624	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03941	5.0
55.05513	8.1
65.03929	3.2
67.05488	1.8
69.07061	2.9
69.63798	6.8
77.03912	1.3
78.78407	1.0
79.05489	18.0
81.07042	2.1
81.58749	1.1
89.03931	1.0
91.05474	56.3
92.05795	1.5
93.07038	48.0
94.07355	1.2
95.04945	9.6
96.06870	1.4
96.55308	0.9
100.73080	1.1
103.05449	1.7
104.06242	1.3
105.04516	2.2
105.07027	28.1
106.07862	1.1
107.04964	3.0
107.08588	100.0
107.31564	1.0
108.08923	2.3
109.06513	11.4
117.07008	4.2
119.06055	3.5
119.08578	21.3
120.09424	6.7
124.05204	1.5
133.10152	1.4
135.04399	1.1
135.08038	1.4
135.11691	35.7
136.02194	4.7
136.08646	1.8
136.12064	1.9
137.09596	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	6.5
54.03453	1.2
55.01854	1.8
55.05267	0.8
55.05509	10.7
55.23214	0.9
65.03919	2.9
66.21281	0.7
66.97416	0.7
67.02979	0.9
67.05520	5.6
67.05806	1.3
68.05030	6.2
69.07056	4.3
69.73216	5.6
79.05489	33.4
80.05033	1.6
81.07059	5.4
83.17101	0.8
87.05580	1.0
89.03910	3.9
91.05476	47.1
92.05808	2.0
93.05830	1.7
93.07038	62.7
94.07343	1.9
95.04974	10.9
95.06075	3.8
95.08649	0.9
96.06873	5.6
103.05466	1.5
105.04510	2.8
105.07027	17.6
107.04954	9.6
107.08588	100.0
108.04536	0.8
108.08206	1.4
108.08923	4.4
109.01093	1.8
109.06515	8.9
109.07631	6.7
115.05439	1.8
117.03389	2.2
117.07018	2.1
119.06064	3.4
119.08575	7.5
120.05671	0.8
120.09373	2.7
133.10167	1.1
135.04428	13.0
135.05457	1.8
135.06543	2.0
135.08049	11.2
135.09016	1.4
135.11682	20.5
136.02159	31.8
136.03905	2.2
136.05180	1.9
136.06070	4.4
136.07550	3.7
136.08676	5.4
150.09322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.5
53.03939	3.3
54.03461	0.9
55.01864	4.4
55.05507	4.3
56.96566	0.6
57.72213	0.5
59.30377	0.5
60.04510	1.0
65.03932	5.4
67.02988	1.4
67.05499	4.1
68.05029	3.7
69.03397	0.9
69.07078	1.3
69.55894	4.7
77.03905	0.9
79.05488	36.7
80.05003	1.7
80.05820	1.6
81.03424	0.9
81.04523	0.6
81.07047	1.5
82.06568	0.8
87.05579	2.9
89.03910	10.6
91.05474	70.3
92.05800	1.9
92.06305	2.7
93.04509	0.7
93.05746	0.9
93.07040	18.7
94.06561	1.0
94.07352	0.9
95.04962	10.2
95.06058	3.4
96.06875	5.2
101.93681	0.6
103.05443	1.4
105.04496	2.0
105.07021	21.0
106.07357	0.8
107.04952	12.4
107.08586	38.7
108.05621	0.8
108.08141	1.1
108.08871	1.4
109.01101	1.3
109.06507	10.5
109.07609	4.9
115.05443	17.4
116.06272	0.6
117.03385	3.1
117.07002	6.4
119.04964	0.6
119.06060	4.1
119.08575	4.7
120.05708	2.5
120.09384	0.9
132.65926	0.5
133.06439	0.6
135.04454	10.2
135.08044	100.0
135.11653	6.9
136.02153	21.2
136.03830	1.1
136.05128	0.8
136.06186	3.2
136.07503	1.2
136.08517	7.6
136.11172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0804
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
51.02346	0.5
53.03939	3.3
54.03461	0.9
55.01864	4.4
55.05507	4.3
56.96566	0.6
57.72213	0.5
59.30377	0.5
60.04510	1.0
65.03932	5.4
67.02988	1.4
67.05499	4.1
68.05029	3.7
69.03397	0.9
69.07078	1.3
69.55894	4.7
77.03905	0.9
79.05488	36.7
80.05003	1.7
80.05820	1.6
81.03424	0.9
81.04523	0.6
81.07047	1.5
82.06568	0.8
87.05579	2.9
89.03910	10.6
91.05474	70.3
92.05800	1.9
92.06305	2.7
93.04509	0.7
93.05746	0.9
93.07040	18.7
94.06561	1.0
94.07352	0.9
95.04962	10.2
95.06058	3.4
96.06875	5.2
101.93681	0.6
103.05443	1.4
105.04496	2.0
105.07021	21.0
106.07357	0.8
107.04952	12.4
107.08586	38.7
108.05621	0.8
108.08141	1.1
108.08871	1.4
109.01101	1.3
109.06507	10.5
109.07609	4.9
115.05443	17.4
116.06272	0.6
117.03385	3.1
117.07002	6.4
119.04964	0.6
119.06060	4.1
119.08575	4.7
120.05708	2.5
120.09384	0.9
132.65926	0.5
133.06439	0.6
135.04454	10.2
135.08044	100.0
135.11653	6.9
136.02153	21.2
136.03830	1.1
136.05128	0.8
136.06186	3.2
136.07503	1.2
136.08517	7.6
136.11172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02057	0.5
54.62199	0.6
55.01872	5.4
55.05515	1.5
56.05033	3.5
56.96562	3.1
57.03435	1.3
58.06597	4.9
59.04992	0.8
60.91925	0.6
68.05033	1.0
69.03423	1.0
70.06590	78.4
70.80440	1.3
71.04990	100.0
71.06935	2.9
72.05331	2.5
72.08154	14.9
73.28770	0.5
74.02441	14.0
74.06078	1.6
75.02787	0.6
76.07632	1.4
79.05485	1.3
85.90066	0.5
86.06068	1.3
88.03984	5.2
88.07629	32.9
89.03902	1.2
90.09187	11.2
90.09708	0.9
91.09572	0.5
92.05045	0.6
98.06058	13.0
99.04430	0.8
100.00977	1.0
100.02498	1.5
107.04955	2.1
111.02983	0.6
116.07090	2.8
118.03548	1.0
119.01925	1.8
121.01594	0.8
123.80745	0.6
131.01904	0.8
133.03394	0.7
134.06015	1.1
134.08134	4.2
134.11765	25.0
135.04428	1.8
135.99345	0.6
137.02913	0.8
142.03531	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0965
Annotation	Tranylcypromine
Peak:m/z	Relative Intensity
51.02365	1.5
52.75957	1.2
53.03938	4.0
54.03455	1.8
56.05027	2.3
56.96567	9.1
57.03420	2.0
58.02929	1.2
58.06597	2.1
59.06117	4.1
60.04518	6.6
65.03921	2.1
66.03466	1.7
67.05498	2.8
68.04980	1.4
70.06596	6.7
70.71984	1.4
70.72313	2.5
71.04988	3.9
72.04510	1.7
74.02428	5.2
74.06082	2.5
74.97632	1.4
75.05595	7.0
76.03982	2.2
76.05909	1.3
79.05497	21.9
80.05010	4.5
86.06057	1.8
87.05595	14.6
88.02216	1.7
88.03982	3.0
88.07635	5.5
89.03918	4.3
91.00492	1.5
91.05486	16.8
92.90076	2.5
93.03502	1.1
93.04548	2.2
93.07036	13.3
94.06562	2.5
95.04961	7.6
95.07336	2.5
97.63247	1.1
100.01048	1.4
103.05467	3.6
105.03374	1.3
105.04540	1.3
105.07030	26.2
106.06550	6.0
106.07358	4.9
107.04954	27.1
107.06056	6.3
107.08589	8.7
108.01520	1.2
108.05621	1.9
108.08138	1.7
113.72732	1.6
115.05452	1.6
117.03349	1.4
117.07013	1.9
118.06547	15.2
119.07324	95.7
120.07664	2.5
125.05988	1.8
128.98705	1.3
134.06029	11.2
134.07129	10.5
134.08018	2.5
134.09653	100.0
134.99622	1.7
135.04413	17.2
135.05528	2.9
135.06604	2.7
135.08038	4.1
135.09070	1.9
135.09993	5.1
135.11642	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	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03930	1.0
55.05499	3.1
58.05325	0.7
65.03928	0.6
67.05513	1.4
71.05674	0.8
71.06008	1.2
76.26698	0.5
77.03920	1.7
79.05492	10.8
85.04051	0.5
91.05477	29.4
92.05798	1.2
92.06313	0.8
93.07037	6.9
95.04955	3.2
103.05452	5.6
103.94317	0.6
105.03421	1.0
105.07024	100.0
106.07327	3.9
107.08598	1.3
115.05450	6.8
116.06239	1.4
117.07010	7.5
118.07800	7.5
119.07314	1.2
123.07970	0.7
129.07033	1.0
131.08551	9.7
133.02808	0.9
133.06522	6.4
133.10124	64.8
134.06027	0.9
134.07039	1.1
134.09572	1.1
134.10468	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
51.02372	0.6
51.11461	0.4
53.03939	1.3
55.01858	0.8
55.05505	3.8
56.96556	0.5
65.03939	0.7
67.05505	1.4
70.06238	1.9
70.06590	0.7
71.04964	0.4
77.03915	0.9
79.05489	9.3
79.38553	0.4
91.05478	29.8
92.05805	0.8
93.07044	8.2
95.04976	2.8
103.05469	4.3
104.06307	0.4
105.07027	100.0
106.07371	4.1
107.08591	1.2
115.05460	4.9
116.06247	1.1
117.07005	5.4
118.07812	7.3
119.08155	0.4
129.06972	0.9
131.08566	10.5
132.08862	0.6
133.02847	0.5
133.06505	5.8
133.10124	42.0
134.05991	0.9
134.07008	0.9
134.10445	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1011
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.02387	0.3
53.03949	1.6
53.04169	0.2
55.01857	0.3
55.05507	2.5
56.42886	0.2
56.96526	0.2
58.05332	0.3
64.59870	0.3
65.03936	0.9
67.05492	0.6
67.20582	0.3
69.45023	0.7
69.45425	1.5
77.03928	0.7
78.04708	0.3
79.05486	9.1
80.05855	0.3
81.34970	0.3
91.05473	24.9
92.05785	0.6
92.06299	0.5
93.07036	6.7
95.04968	2.8
103.05460	5.1
105.07021	62.6
106.07326	2.8
107.08604	1.7
113.00561	0.2
115.04787	0.2
115.05444	8.9
116.06314	1.4
117.07011	9.6
118.07800	10.2
119.08121	0.3
121.49480	0.3
129.07007	0.7
131.08557	8.3
131.46004	0.3
133.06540	2.6
133.10118	100.0
134.05984	0.9
134.07036	0.4
134.10451	6.4
153.20349	0.3
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
53.03943	1.8
55.05511	2.8
62.86285	0.4
65.03927	1.0
66.03989	0.4
67.05515	0.7
69.84606	2.5
70.06608	0.5
71.05021	0.4
77.03930	0.9
79.05049	0.8
79.05490	9.5
80.05901	0.4
87.05603	0.4
91.05480	25.2
92.05768	0.9
92.06314	0.4
93.07039	7.0
95.04957	3.4
98.20755	0.5
98.55937	0.4
103.04886	0.5
103.05484	5.5
104.06261	0.4
105.03387	0.9
105.07028	70.8
106.06690	0.6
106.07346	3.3
107.06100	0.4
107.08597	1.4
115.05448	8.5
116.06227	1.6
117.07013	10.2
118.07027	0.7
118.07808	11.3
129.07010	0.7
131.08572	7.4
133.02872	1.0
133.06509	6.1
133.10127	100.0
134.05980	1.5
134.06999	1.0
134.10468	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09731	0.8
52.74223	0.6
53.03946	1.8
55.05496	3.5
65.03927	1.4
67.05515	1.6
69.36704	4.0
69.37138	3.1
75.69909	0.7
77.03906	0.9
79.05498	9.8
91.05481	28.7
92.05788	0.9
93.07048	8.0
95.04983	4.4
96.81281	0.7
103.05468	6.5
105.07030	100.0
106.06704	0.8
106.07375	3.2
107.06070	0.8
107.08596	1.1
115.05453	6.9
117.07028	7.4
118.07818	6.8
119.07370	0.9
128.33582	0.7
131.08572	10.5
133.02861	0.8
133.06482	5.1
133.10129	67.2
134.07190	0.8
134.09613	1.0
134.10481	4.7
151.07487	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02367	0.8
53.03946	2.0
54.93001	0.3
55.01868	4.4
55.05505	0.6
56.96556	0.4
57.03435	0.6
57.04534	0.4
58.05339	1.4
65.03922	0.4
66.03464	0.3
67.05502	0.6
69.03410	0.8
70.06582	0.5
71.06099	0.8
74.02428	0.6
74.06043	0.4
75.05585	0.5
77.03934	1.5
79.05487	18.6
79.87659	0.3
80.05827	0.3
85.02882	0.4
85.04022	0.8
87.05609	0.5
90.04724	0.3
91.05475	13.0
92.05816	0.5
93.07028	1.0
95.04964	6.4
103.05460	13.1
105.03416	3.1
105.07022	100.0
106.06630	0.5
106.07349	3.9
107.04935	1.0
107.06073	0.4
107.08581	0.5
111.04488	0.3
112.02161	0.5
115.05447	8.5
116.06318	0.5
117.07011	2.4
118.04162	0.5
118.07779	1.8
123.05476	0.3
123.07991	0.4
131.04918	1.1
131.08554	2.8
132.05734	0.4
133.02879	2.3
133.06483	68.3
133.10118	18.9
134.05948	0.9
134.06882	3.1
134.07990	0.4
134.10512	0.6
147.45576	0.3
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	Unknow
Peak:m/z	Relative Intensity
51.02371	0.6
52.65268	0.3
53.03939	2.5
55.01861	3.4
55.05497	0.8
58.05328	0.7
65.03953	0.3
67.05491	0.5
69.33290	3.0
71.04977	0.3
76.83868	0.3
77.03908	1.4
77.25404	0.3
79.05482	15.8
85.04002	0.5
91.05471	9.6
92.05817	0.3
93.07029	1.1
94.04166	0.3
95.04964	5.4
98.20771	0.6
103.04783	0.7
103.05453	11.3
104.05750	0.3
105.03392	3.9
105.04521	1.4
105.07018	100.0
106.06614	0.6
106.07344	3.5
107.04948	0.7
107.08563	0.4
115.05442	6.2
116.06254	0.4
117.06995	1.3
118.04144	0.6
118.07835	1.5
131.04924	1.7
131.08551	2.2
132.05673	0.7
133.02866	2.9
133.06477	68.1
133.10107	12.6
134.05920	0.4
134.06813	3.1
134.10480	0.6
153.32236	0.3
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	Unknow
Peak:m/z	Relative Intensity
50.01563	0.5
51.02372	0.6
53.03937	2.8
54.21207	0.4
55.01863	3.5
55.05499	0.7
56.05017	1.1
56.96558	1.0
57.03427	1.2
57.04551	1.7
58.02956	0.8
58.05340	3.3
58.06593	1.1
59.06102	1.2
60.04510	0.7
63.28016	0.4
69.03420	0.6
70.02953	0.4
70.06580	1.1
70.19759	1.6
71.05005	0.6
71.06116	0.6
72.04504	1.1
72.08121	0.5
72.93750	0.6
73.02908	0.5
73.04034	1.3
74.02437	1.2
74.06080	2.3
75.05595	4.9
76.03984	0.6
76.07623	0.5
77.03914	1.6
78.67677	0.5
79.05487	18.3
80.05021	0.5
80.05795	0.6
85.04026	2.5
85.07721	0.5
85.22890	0.4
87.05579	1.8
88.02188	0.5
88.04003	0.7
88.07622	1.2
91.05482	5.7
92.03492	0.5
92.07119	0.8
93.07042	1.1
95.04958	5.5
96.05288	0.8
98.06017	0.7
100.03960	0.6
103.05465	11.6
105.03432	2.9
105.04535	1.5
105.05344	2.0
105.07022	100.0
106.06544	2.0
106.07355	3.1
107.04929	1.4
107.06073	1.0
112.02179	0.9
115.05465	4.9
115.08682	0.6
116.07069	1.2
117.06951	0.8
123.07940	1.4
124.26469	0.4
131.04922	2.1
131.08609	0.8
132.05704	1.0
133.02937	2.2
133.04803	5.0
133.06485	79.6
133.10172	5.5
134.05969	1.1
134.06964	3.5
134.07961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0647
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02362	0.9
51.90811	0.5
53.03944	2.6
53.04160	0.4
55.01868	4.2
58.02942	0.5
58.05350	2.4
59.06115	1.0
61.89619	0.4
65.03934	0.8
68.99884	0.4
69.04520	0.4
70.06593	0.7
70.68527	0.4
71.22407	0.8
72.04496	0.5
73.04012	0.4
74.02450	0.5
74.06067	0.9
75.05598	2.7
76.48841	0.4
77.03916	2.2
78.04684	0.5
79.05485	20.5
80.05814	0.4
81.04506	0.4
83.62747	0.4
85.04032	1.3
87.05570	1.4
88.07614	0.7
91.05476	11.3
93.07026	1.0
94.04139	0.6
95.04958	6.6
96.05315	0.5
103.05461	12.4
105.03387	4.5
105.04523	1.5
105.07021	100.0
106.06541	1.8
106.07349	4.2
107.04969	2.0
115.05472	6.0
116.07095	0.6
117.07016	1.6
118.07796	1.2
131.04907	1.8
131.08569	2.4
133.02823	2.0
133.06482	73.9
133.10123	13.2
134.05989	3.2
134.06743	2.8
134.09595	0.7
134.10506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	2-Indanone
Peak:m/z	Relative Intensity
51.02374	0.8
53.03944	3.0
55.01649	0.5
55.01871	5.6
56.05018	0.5
58.05332	2.2
65.03947	0.9
70.06577	0.6
70.85367	1.2
74.02441	4.1
74.06075	0.6
75.05589	0.6
77.03920	1.1
79.05490	24.9
85.04029	1.0
85.87136	0.5
88.03993	1.6
91.05477	6.0
93.07044	0.5
95.04976	7.1
103.05463	16.4
105.03420	1.2
105.04523	1.9
105.07025	100.0
106.06643	0.7
106.07361	3.4
107.06068	0.9
115.05476	4.5
131.04883	1.0
131.08549	1.5
133.02853	1.2
133.06488	51.5
133.10139	7.0
134.05989	1.2
134.06917	2.4
134.10551	0.6
152.89154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
56.96567	2.2
57.03429	0.5
58.06587	0.6
62.36005	0.3
69.07063	6.6
69.97741	0.6
69.98151	1.9
84.08096	0.5
86.06105	0.5
86.09702	100.0
87.10030	2.8
98.28654	0.4
105.07002	0.4
105.99290	0.4
112.02240	0.5
121.07892	0.3
123.07943	0.6
132.10109	0.6
146.14641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48453	0.8
53.03942	2.0
53.25448	0.8
56.05027	1.0
56.96550	3.5
57.03429	2.1
65.03941	1.3
69.03419	2.4
70.03742	1.9
70.05103	5.1
70.98132	1.1
72.08140	1.2
79.96265	0.8
84.04478	1.5
84.08136	1.5
85.08453	3.7
87.05584	0.9
91.05476	100.0
92.05797	4.0
95.04962	3.4
98.21479	1.2
103.05460	31.4
104.05023	0.9
104.05772	1.8
108.01566	1.4
113.07268	0.9
113.07946	6.9
115.05436	8.4
116.06234	25.3
117.06578	1.0
123.04405	2.7
128.06215	1.8
129.07004	15.1
130.07245	1.0
131.04926	4.0
131.08556	88.4
132.06558	1.7
132.08896	8.5
133.06493	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.3
51.02380	0.4
53.03942	2.8
56.05040	0.4
56.96552	0.4
57.03430	0.7
58.06599	0.2
58.51521	0.2
59.06120	0.2
60.24897	0.2
69.03428	0.5
69.51171	0.7
69.51613	0.8
70.03764	0.5
72.04515	0.3
73.23895	0.2
77.03938	0.6
81.03403	0.3
84.04471	0.3
84.08131	0.3
85.02919	0.2
85.04836	0.2
85.08463	1.3
86.06063	0.4
86.09718	0.2
87.05583	0.2
91.05477	23.4
92.05822	0.4
95.04350	0.4
95.04964	7.5
98.01252	0.2
102.04675	1.4
103.05464	100.0
104.05793	4.4
105.04510	1.2
113.07909	1.4
114.05549	0.2
115.05458	1.9
116.06239	6.2
117.06536	0.3
128.06238	0.4
129.06996	3.9
131.04924	9.6
131.06953	0.5
131.08556	19.5
132.04414	0.2
132.05287	0.5
132.06558	0.6
132.08052	0.4
132.08900	0.9
133.06456	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.6
53.03946	4.4
56.05038	0.8
56.96571	1.4
57.03431	2.6
65.03925	0.4
68.05022	0.4
68.95290	0.5
69.03439	1.2
70.03745	0.7
71.59501	0.4
71.59883	0.4
72.04533	0.7
72.08168	0.4
77.03936	0.6
77.09766	0.4
84.04500	0.9
84.08164	1.1
85.02903	0.4
85.04833	0.9
85.07962	0.5
85.08471	4.4
86.06061	1.2
86.09689	0.5
87.05598	0.5
91.05480	15.1
91.58958	0.3
95.04963	8.3
102.04682	1.6
103.05466	100.0
104.05776	4.2
105.04510	1.6
113.07240	0.6
113.07928	4.2
114.05502	0.3
115.05482	1.8
116.06226	4.8
129.07007	2.7
131.04924	13.3
131.05898	0.5
131.06921	1.0
131.08543	12.5
131.16183	0.4
132.04425	0.4
132.05325	0.6
132.06555	1.5
132.08913	0.8
134.99672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.5
57.03437	1.1
58.06597	0.4
59.52644	0.3
60.04503	0.3
69.03447	0.6
70.03752	1.2
71.59692	0.6
73.82382	0.3
77.03934	1.0
77.19121	0.3
84.04508	0.4
84.08132	0.5
85.08467	1.8
91.05478	4.4
93.78191	0.3
95.04971	9.2
98.04745	0.3
102.04709	1.7
103.05464	100.0
104.05791	5.2
105.04536	1.5
113.07253	0.5
113.07935	3.1
115.05491	0.4
116.06240	1.3
120.21693	0.3
129.06995	0.6
131.04922	12.7
131.06932	0.5
131.08495	3.2
132.05301	0.7
132.06549	0.8
144.08069	0.6
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
51.02372	0.5
53.03946	3.5
53.66284	0.2
55.01861	0.3
56.05034	0.5
56.96562	0.6
57.03433	1.2
58.02958	0.3
59.06105	0.4
69.03421	0.9
69.35547	0.3
70.03761	1.7
71.59796	0.4
72.08141	0.4
77.03928	0.7
81.03404	0.5
83.97066	0.3
84.04497	0.7
84.08128	0.7
85.02899	0.4
85.08463	2.9
86.06069	0.6
91.05476	7.1
91.32854	0.2
95.04962	8.9
98.04842	0.3
102.04666	1.2
103.05462	100.0
104.05784	4.3
105.04495	1.8
113.07928	4.2
115.05416	0.4
116.06225	1.9
119.25153	0.3
119.76609	0.3
129.06969	1.1
131.04921	12.7
131.06914	0.5
131.08521	4.3
132.04388	0.3
132.05315	0.6
132.06567	0.9
132.08031	0.5
144.08095	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0863
Annotation	CYCLOLEUCINE
Peak:m/z	Relative Intensity
53.81152	0.2
55.05519	0.2
56.05035	3.9
64.51977	0.1
67.05499	0.4
69.03069	0.2
69.03426	3.0
69.07067	0.2
70.04323	0.9
70.86266	0.1
82.06563	0.3
84.04501	2.5
84.08140	100.0
85.08466	3.4
112.07603	6.2
113.07901	0.2
130.08636	11.3
131.09001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03947	4.3
55.01871	0.3
56.05026	0.7
56.96569	0.6
57.03446	1.6
65.74491	0.3
66.75988	0.3
69.03413	0.9
70.03765	0.8
70.07410	0.4
70.15690	1.3
72.04509	0.4
72.69677	0.3
77.03929	0.8
81.03436	0.4
84.04488	0.3
84.08154	0.4
85.08469	2.0
85.83327	0.3
86.09724	0.3
91.05478	4.9
95.04964	9.9
95.05554	0.6
98.20737	0.3
102.04662	1.4
103.05463	100.0
104.05782	3.9
105.04506	1.6
109.40836	0.3
109.86421	0.3
113.07944	3.4
115.05429	0.3
116.06229	1.6
129.07016	0.7
131.04924	11.8
131.05942	0.6
131.08540	3.3
131.11708	0.3
132.04401	0.3
132.05316	0.3
132.06572	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.7
51.31788	0.3
53.03946	3.9
56.05025	0.5
56.96561	0.5
57.03428	0.8
58.06595	0.5
61.61255	0.3
65.03925	0.4
70.03763	0.4
71.58933	0.3
71.59387	0.4
77.03918	1.1
81.03418	0.4
83.02530	0.2
84.04529	0.3
84.08122	0.4
85.08472	1.6
86.06045	0.3
87.05574	0.3
90.90356	0.3
91.05476	23.1
92.05809	0.8
95.04962	7.4
102.04704	1.4
103.05461	100.0
103.27837	0.3
104.04993	1.3
104.05791	4.5
105.04533	1.3
105.07041	0.3
108.65823	0.3
109.23971	0.3
113.07199	0.4
113.07928	1.6
115.05458	1.7
116.06236	5.8
128.06229	0.4
129.07008	3.0
131.04927	9.9
131.06935	0.6
131.08554	20.8
132.04408	1.1
132.05258	0.4
132.06543	0.7
132.08896	0.9
133.06491	0.6
135.66510	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	128.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93517	100.0
58.06601	31.6
59.06128	30.9
59.79612	27.3
70.06590	71.5
70.19489	63.9
70.19886	59.6
77.97050	25.9
86.06102	24.8
88.96870	25.4
106.94086	24.5
111.09203	69.8
129.01788	28.8
142.73569	24.1
145.32684	28.0
146.96155	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
53.52925	1.0
55.01870	2.6
55.05510	5.7
56.05026	2.5
57.03437	43.8
60.16491	1.0
69.03427	20.2
69.07061	2.3
70.06588	2.3
70.97661	2.3
71.04993	100.0
72.05317	2.2
82.06577	1.7
83.04977	10.1
84.04514	9.2
84.08144	39.2
85.02905	57.7
86.03234	2.3
87.04437	1.6
99.04443	2.7
111.04443	8.9
112.07609	44.7
129.01875	5.6
129.04466	2.2
129.05472	6.6
129.06984	1.2
130.06537	7.2
130.08646	14.8
130.09624	1.6
137.04579	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
55.01871	2.4
55.05514	5.0
56.05030	2.2
56.89398	0.9
57.03434	37.0
67.39772	0.9
69.03430	12.0
70.06569	0.8
70.16859	2.0
70.17265	3.1
71.04989	100.0
72.05326	2.1
75.18553	0.9
83.04977	7.8
84.04505	8.8
84.08138	25.3
85.02901	51.1
85.07674	1.1
86.03212	1.2
87.00819	2.2
99.04451	1.9
110.65044	0.9
111.04443	4.9
112.07601	26.7
128.45126	0.9
129.01857	4.0
129.04378	4.0
129.05432	4.4
129.06990	1.3
130.06546	5.1
130.08623	6.8
133.23724	1.0
136.42993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96152	0.3
53.03944	4.1
54.03455	0.3
54.95776	0.3
55.01876	1.6
55.05510	0.3
57.03423	0.4
58.19738	0.3
59.45291	0.3
66.29839	0.3
67.01852	0.4
68.05014	0.9
69.03404	0.6
69.05363	0.4
69.07066	0.9
70.06581	0.8
70.09120	0.5
70.09534	1.4
71.01331	1.0
71.04980	1.0
81.03410	6.5
82.06563	1.1
84.02098	0.5
84.08157	0.3
85.07654	0.4
86.06056	0.4
87.06799	0.4
99.04456	0.5
109.02868	10.3
109.07626	1.1
110.09677	0.4
111.09209	0.7
127.03905	100.0
127.08709	0.9
127.12309	0.7
128.04242	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	127.0391
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03947	4.9
55.01885	1.8
55.05493	0.6
56.05035	0.4
56.96561	0.9
57.03435	0.9
58.06574	0.5
58.92575	0.3
67.01855	0.7
69.03431	5.6
70.06585	1.7
70.11092	1.6
71.01352	2.0
71.04999	2.9
71.64639	0.3
72.13761	0.4
81.03420	13.5
81.04529	3.7
82.06596	1.7
82.07010	0.4
84.08107	0.9
85.02902	0.6
85.05150	3.5
91.97923	0.4
94.52434	1.3
95.01329	0.8
95.43830	0.4
97.07676	0.6
99.04446	1.6
100.02481	0.7
100.07563	0.4
109.02876	12.3
109.07632	0.6
110.03226	0.8
110.07223	0.4
110.09667	0.6
111.09222	2.2
127.03915	100.0
127.07261	6.2
128.04262	3.5
137.95506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
50.86381	0.2
53.03703	0.2
53.03944	3.1
55.01868	1.3
55.21314	0.2
59.96140	0.1
63.10546	0.2
67.01850	0.6
68.05027	0.2
69.03438	0.2
70.06585	0.3
70.07138	0.2
70.96363	0.4
71.01350	0.3
71.04974	0.4
72.01445	0.2
81.03423	2.8
82.06588	0.4
83.01308	0.2
86.06063	0.3
87.06830	0.2
109.02879	5.7
109.07646	0.4
111.09196	0.4
127.03911	100.0
128.03346	0.2
128.04250	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	127.0391
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03941	3.5
55.01875	1.2
56.05040	0.2
56.96566	0.2
57.03415	0.3
58.06589	0.5
59.62060	0.2
67.01871	0.6
68.05021	0.7
68.99744	0.3
69.03419	0.5
69.07061	0.7
70.06588	0.4
70.14114	1.1
71.01340	0.6
71.04974	0.7
81.03412	4.1
81.07052	0.2
82.06573	0.8
83.06120	0.4
84.08160	0.3
86.06062	0.4
87.06834	0.3
93.07019	0.5
97.07635	0.4
109.02873	6.6
109.07631	0.9
110.06007	0.3
110.09664	0.6
111.09193	1.1
124.60807	0.3
126.60416	0.2
127.03907	100.0
127.08649	0.6
127.12329	1.4
128.04240	3.1
128.07120	0.3
132.81496	0.2
139.35896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72556	0.7
53.03953	7.0
54.03466	1.4
55.01876	4.4
55.05508	28.9
56.04786	1.1
56.05036	12.4
56.96553	2.8
57.03431	4.9
57.04588	0.9
58.05331	0.9
58.06599	11.9
59.06124	70.7
63.19742	0.9
65.03931	1.8
67.01852	2.4
67.02975	1.0
67.04231	1.0
67.05498	2.2
67.93569	1.8
68.05029	89.8
69.03439	5.1
69.04533	1.1
69.05343	1.2
69.05811	0.9
69.07053	1.1
70.06593	18.8
70.75407	1.4
70.75737	0.9
71.01333	1.3
71.04985	4.1
71.06107	0.9
72.43569	1.1
77.75401	0.8
79.05491	12.8
80.05032	3.7
81.03417	21.3
81.04525	5.5
81.07058	34.5
82.02968	0.9
82.06580	16.6
83.04976	1.3
83.06099	7.6
83.08617	10.1
84.02144	1.3
84.04498	3.9
84.05573	1.5
84.06879	1.2
84.08134	3.1
84.96024	3.4
85.02893	1.3
85.04055	0.8
85.07666	19.4
86.06048	1.1
86.08449	21.4
87.06829	1.0
91.05492	3.9
93.05756	4.2
96.04494	5.4
96.08112	2.3
97.02892	1.4
97.05276	19.3
97.07671	2.1
98.06057	14.7
98.09695	12.1
99.04463	3.3
99.05585	2.2
99.06383	1.0
99.09201	1.5
108.04456	1.0
108.08111	17.1
109.02879	24.7
109.04041	2.4
109.06512	27.8
109.07639	30.7
110.06035	2.0
110.06773	0.9
111.06876	1.7
121.01662	4.8
126.05654	4.6
126.06620	4.7
126.09160	85.4
126.10266	47.4
127.03915	100.0
127.08659	1.9
127.09525	2.8
127.10619	1.3
139.02702	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	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85662	0.1
58.99862	0.2
60.00653	0.2
67.13017	0.1
71.01191	0.2
71.01524	0.2
72.85282	0.1
77.00878	0.1
78.92643	0.1
80.46687	0.1
82.01446	0.1
82.26724	0.1
82.99796	0.6
83.01502	0.2
84.01182	0.1
90.23873	0.1
100.02481	1.1
101.00869	9.0
101.02553	3.1
102.00956	0.4
102.02235	1.0
118.03513	1.2
119.01917	100.0
119.03639	2.7
120.02027	4.6
120.03264	0.9
121.02347	0.3
124.02457	0.2
133.03337	0.1
137.02950	60.4
138.03032	2.9
139.03339	0.2
142.03496	6.1
143.03604	0.3
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
53.03928	0.2
55.01853	0.3
55.05500	0.1
56.96562	3.5
57.03413	0.2
58.06584	0.1
58.99861	1.2
60.00638	0.1
60.04522	0.1
60.95834	0.2
60.99608	0.1
61.02913	0.1
67.05488	0.1
68.05009	0.1
68.05817	0.1
69.03411	0.2
70.98114	0.1
70.99848	0.5
71.01340	0.1
71.04941	0.1
71.58568	0.1
71.58985	0.1
71.95254	0.4
72.96046	0.1
75.28931	0.1
77.00904	1.8
77.50916	0.1
78.00949	0.1
78.03428	0.1
78.04700	0.3
78.52937	0.1
79.05489	0.2
80.05019	1.2
81.03423	0.1
81.05349	0.1
81.05783	0.1
82.01426	0.2
82.92872	0.2
82.99806	0.7
83.00776	0.2
83.01509	0.4
83.06091	0.3
84.01159	0.2
86.01287	0.1
89.00898	0.5
91.00506	0.2
91.02312	0.1
93.05777	0.1
94.06554	0.2
95.01345	0.1
95.01916	0.8
95.04960	0.3
96.04489	1.0
96.05277	0.6
96.08134	0.1
97.02885	0.4
97.07636	0.1
98.01331	0.1
98.97588	0.5
99.97909	0.1
100.02477	1.6
101.00870	10.4
101.02549	2.6
101.86244	0.1
102.00949	0.5
102.02232	1.3
103.02414	0.2
106.03703	0.1
106.06541	0.5
107.01873	0.1
107.04996	0.1
107.06081	0.3
109.05250	0.1
111.00874	0.1
112.03947	0.1
115.02445	0.2
115.04066	0.1
116.98582	0.4
117.10262	0.1
118.01052	0.1
118.03519	1.3
119.01915	100.0
119.03638	2.9
120.02017	5.7
120.03272	1.2
121.02350	0.4
121.03395	0.2
124.02452	0.3
124.03953	4.8
124.04784	0.5
124.05910	0.2
124.07593	1.6
124.08691	0.5
125.02408	0.2
125.04254	0.1
125.07125	0.5
128.98650	0.1
131.01878	0.2
133.03461	0.6
134.99669	0.3
136.04536	0.1
137.02948	58.3
138.03038	3.2
139.03386	0.4
140.03438	0.1
142.03490	4.5
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	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.7
53.03944	8.8
54.03456	3.6
55.01859	3.8
55.03792	1.7
55.05506	13.2
56.05029	10.3
57.07077	6.5
65.03937	7.2
66.03454	0.9
67.04198	1.3
67.05500	68.5
68.05018	6.9
68.05833	1.4
69.03387	1.1
69.04547	1.0
69.07058	3.1
70.06569	3.7
70.54128	1.9
70.54528	2.1
72.95852	0.9
77.03912	3.1
79.05488	23.5
80.05014	20.0
80.05785	1.7
81.03411	2.2
81.04537	11.4
81.07054	100.0
81.51515	0.9
82.01459	2.6
82.05309	1.7
82.06578	3.2
82.07389	2.2
83.05654	1.9
83.06104	16.2
91.05471	2.4
93.07048	9.0
94.07831	1.0
94.63625	0.9
95.04965	50.9
95.06055	2.7
95.08602	53.3
96.04481	9.4
96.05263	1.5
96.08121	2.1
96.08917	2.9
97.07645	9.1
98.21420	1.1
100.02477	25.9
101.02553	2.3
104.05752	1.0
105.03403	3.2
105.04523	4.4
105.07014	6.3
106.06600	1.6
106.07355	6.7
107.04967	2.2
107.06081	11.9
108.05054	1.3
108.05727	10.4
108.07032	1.3
108.07647	8.5
112.03945	1.4
116.25156	0.9
118.02654	1.4
118.03507	22.4
119.01125	1.5
119.01920	16.4
119.03597	2.0
121.06556	2.0
121.10122	1.2
123.04415	42.9
123.05533	31.3
123.06555	1.1
123.08107	28.2
123.09167	2.6
123.09981	11.8
123.11694	24.3
124.03932	9.7
124.04807	2.5
124.05888	1.5
124.07592	2.9
124.08704	21.8
124.12058	1.5
131.83675	0.9
137.02951	9.5
140.03398	1.3
140.07048	1.0
141.05138	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	0.7
51.02356	1.0
53.03942	4.8
54.03464	2.9
55.01869	2.2
55.05506	6.8
56.05030	6.0
57.04536	0.6
57.07066	0.6
58.06594	0.7
58.99854	0.6
65.03917	2.6
66.03469	0.9
67.04253	1.0
67.05499	34.3
68.05023	4.9
68.05838	1.2
69.03421	2.0
69.04541	1.7
69.96476	1.6
69.96894	1.4
70.06580	2.6
77.03941	2.4
78.03481	0.6
79.05482	8.6
80.05009	14.7
80.05780	1.1
80.06261	1.2
81.03435	2.4
81.04538	7.9
81.05769	0.6
81.07053	14.8
82.01456	1.4
82.04861	0.7
82.05315	1.5
82.06570	1.1
83.05653	0.8
83.06096	12.1
85.80336	0.5
91.05476	1.6
93.07037	6.2
95.04963	47.4
95.06075	2.1
95.08599	19.4
95.09236	0.7
96.04493	7.7
96.05285	1.7
96.06385	0.7
96.08926	0.9
97.07655	6.1
100.02478	15.0
101.00873	0.6
101.02577	1.5
103.05495	1.4
104.05787	0.9
105.03383	2.5
105.04504	2.1
105.07023	6.9
106.02934	0.6
106.07364	3.6
107.04948	1.6
107.06068	8.9
107.07270	0.8
108.05731	9.0
108.06986	0.8
108.07664	4.9
118.03516	16.5
119.01913	13.5
119.03614	2.0
121.06481	1.0
123.04442	19.4
123.05559	23.5
123.08071	100.0
123.09915	7.7
123.11692	1.8
124.03951	6.8
124.04824	1.0
124.05912	0.5
124.07542	0.9
124.08702	16.9
137.02948	9.9
141.05046	0.6
141.06618	0.7
142.03493	1.1
142.95262	0.5
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
53.03945	11.0
54.03456	4.3
54.97542	1.0
55.01857	2.7
55.05512	21.4
56.05038	5.7
57.07073	1.7
58.06598	1.5
65.03935	6.5
66.03460	1.2
67.02959	1.2
67.05500	93.9
68.05020	4.8
68.05824	3.0
70.06580	3.8
71.59550	1.2
71.59928	1.2
77.03907	2.0
79.05489	14.7
80.05013	32.4
80.06261	1.2
80.42626	1.2
81.03416	7.3
81.04538	10.5
81.05363	1.2
81.06572	2.3
81.07050	47.0
82.05334	2.3
82.06623	1.8
82.07370	1.1
83.05653	2.5
83.06105	8.2
91.05472	6.5
93.07038	15.9
94.07839	1.5
95.04962	99.4
95.06015	2.9
95.08600	61.8
96.04501	14.6
96.05272	2.5
96.08125	1.5
96.08939	2.5
97.07658	8.7
100.02471	26.4
101.02572	2.3
105.03394	2.7
105.04541	1.9
105.07008	6.1
106.02899	1.6
106.07385	4.4
107.04967	1.9
107.06091	10.1
108.05733	6.7
108.07043	1.3
108.07662	6.0
118.03514	27.6
118.04286	1.9
119.01928	7.2
119.03629	2.4
123.04446	21.4
123.05566	56.5
123.08081	100.0
123.09937	7.5
123.11678	7.4
124.03952	20.2
124.04844	1.6
124.05875	2.4
124.07594	2.6
124.08701	26.9
137.02962	4.8
140.03432	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02371	0.9
53.03945	6.0
54.03468	4.0
55.01865	2.6
55.05508	7.1
56.05032	8.0
56.96560	1.3
57.07080	1.1
58.06596	1.4
65.03928	3.3
66.03443	0.5
67.02998	0.6
67.05502	42.4
68.05026	7.0
68.05821	1.4
69.03427	2.5
69.04545	1.7
69.73146	0.8
69.73563	3.1
70.06587	2.4
77.03945	2.6
78.03468	0.6
79.05487	11.3
80.05014	17.6
80.05799	0.8
80.06261	1.2
81.03430	2.2
81.04538	9.6
81.06570	1.2
81.07053	23.0
82.01434	2.2
82.04863	0.9
82.05328	1.6
82.06585	1.2
82.07392	0.9
83.04972	0.6
83.05626	1.3
83.06096	12.7
91.05488	1.4
93.07036	6.4
94.04190	0.8
94.07401	0.7
95.04966	55.5
95.06093	2.3
95.08603	24.7
96.04494	9.7
96.05315	1.9
96.06410	0.6
96.08159	0.7
96.08940	0.8
97.02848	0.6
97.07648	7.8
98.21468	1.1
100.02480	15.8
101.00869	1.2
101.02604	1.2
103.05475	1.4
105.03368	2.5
105.04504	2.6
105.07024	7.9
106.02932	1.2
106.06732	0.5
106.07362	3.5
107.04935	2.0
107.06079	10.7
107.07332	0.7
108.05735	11.1
108.07655	6.1
112.03973	1.2
118.03522	19.2
119.01916	17.6
119.03622	1.3
121.06502	1.2
123.04446	21.2
123.05562	27.9
123.08073	100.0
123.09885	6.0
123.11664	3.1
124.03963	8.4
124.04838	0.7
124.05930	1.1
124.07537	1.0
124.08709	17.9
125.07145	1.0
137.02953	13.3
137.04008	0.8
140.03395	0.7
141.05112	0.7
142.03479	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01585	1.2
51.02172	0.5
51.02378	4.5
53.03943	6.7
54.03479	0.4
55.01855	1.4
55.05508	0.5
56.05033	0.4
65.03938	2.0
67.05501	9.3
69.67526	0.3
70.06622	0.4
70.85108	0.9
77.00909	0.4
77.03926	10.9
79.05486	1.5
80.05016	3.7
81.03415	0.6
81.04527	0.8
81.07053	5.6
82.01427	1.0
83.06087	0.7
84.82490	0.3
93.07048	0.4
95.04964	22.3
95.08585	1.5
95.26836	0.4
96.04482	1.4
96.05290	0.3
97.07650	0.7
100.02477	9.6
101.02586	0.6
105.03387	13.7
105.04449	2.7
106.02921	0.4
107.06107	0.6
118.02659	0.5
118.03508	9.4
119.01888	2.5
119.03629	0.5
123.04424	100.0
123.05490	6.6
123.08054	1.2
123.10027	0.7
123.11674	1.0
124.03927	1.5
124.04781	3.3
124.07803	0.3
124.08627	1.7
137.02916	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01600	0.9
51.02380	4.8
53.03939	5.9
54.03468	1.6
55.01863	1.9
55.05503	0.8
56.05029	2.4
56.96584	1.1
65.03934	1.4
67.05164	1.1
67.05502	15.6
68.05028	1.4
69.04546	0.7
69.29152	1.8
69.29573	4.5
70.06587	1.4
77.03928	12.2
79.05489	3.3
80.05018	12.5
81.03415	1.0
81.04540	3.1
81.06577	0.9
81.07059	12.5
82.01450	2.1
83.05656	0.6
83.06104	2.7
90.26077	0.7
95.04967	36.0
95.06007	1.4
95.08613	3.6
96.04495	6.0
96.05273	1.0
97.07648	2.2
100.02481	28.7
101.02584	2.6
105.03391	13.4
105.04469	2.9
105.06967	0.7
106.07364	1.5
107.06078	1.6
108.05711	0.6
108.06994	0.6
108.07690	1.9
112.03917	0.8
118.03516	30.1
119.01906	8.7
119.03635	2.1
123.04435	100.0
123.05537	25.1
123.07467	2.7
123.08086	2.6
123.09177	1.1
123.09987	3.4
123.11681	3.1
123.33194	0.6
124.03949	5.6
124.04803	3.7
124.05823	0.8
124.08712	6.9
136.82382	0.6
137.02948	6.2
141.05060	1.4
144.08330	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01598	1.1
51.02376	5.1
53.03734	0.6
53.03949	6.7
54.03463	1.0
55.01860	2.0
56.05029	1.8
65.03933	1.8
67.05504	12.6
68.05018	2.5
70.06577	0.7
70.85130	1.3
74.65015	0.5
77.03926	11.2
78.04305	0.4
78.04710	2.2
79.05482	1.9
80.05014	7.2
80.05782	0.6
81.03408	1.0
81.04546	3.0
81.07057	4.7
82.01453	0.6
82.05314	0.5
83.06110	3.8
95.01347	0.4
95.04967	31.2
95.08594	1.3
96.04487	4.2
96.05290	0.8
97.07660	2.4
100.02477	9.4
101.02566	0.7
105.03393	12.9
105.04466	3.2
106.07346	1.0
107.06050	2.9
108.05730	0.6
108.07666	1.8
112.03999	0.7
118.03520	8.9
119.01925	7.8
119.03621	0.7
123.04431	100.0
123.05517	12.7
123.07455	1.6
123.08105	1.6
123.09173	0.9
123.10020	1.4
123.11701	1.0
124.03927	2.2
124.04810	3.4
124.07816	0.7
124.08720	4.9
137.02946	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
51.02378	2.0
53.03947	12.1
54.03462	3.9
55.01870	13.8
55.02979	1.1
55.05498	1.1
56.05037	5.0
56.96566	7.2
62.98871	0.9
65.03934	15.3
67.02989	1.0
67.05502	83.6
67.92428	0.9
68.05031	10.0
68.05817	1.6
69.04540	1.9
70.38423	2.9
70.38794	1.3
71.01360	1.7
77.03916	5.2
79.05498	7.3
80.05015	21.6
81.03410	1.8
81.04537	8.0
81.07051	7.9
82.01435	1.7
82.05315	1.2
82.06581	1.5
83.05637	2.2
83.06096	14.3
94.06519	0.8
95.01302	1.5
95.04964	100.0
95.06071	5.0
95.08604	2.7
96.04487	12.1
96.05296	2.7
96.06431	1.2
96.08131	1.1
97.07674	5.3
100.02473	15.8
101.00870	3.6
101.02552	1.1
105.03394	5.5
105.04497	4.2
106.02901	1.2
107.06079	9.4
108.01553	2.5
108.05723	1.1
112.36105	0.8
117.02071	1.6
118.03513	19.0
119.01916	34.4
119.03649	1.8
121.52071	3.9
122.07197	0.9
123.04425	79.8
123.05539	44.3
123.06326	1.6
123.08044	3.2
123.09171	2.9
123.09993	1.8
123.11698	1.0
124.03941	8.8
124.04849	2.3
124.05881	1.6
124.07687	1.5
124.08698	12.6
130.52573	2.5
136.04570	1.4
137.02942	23.9
142.03551	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.044
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01587	1.5
50.32486	0.5
51.02373	4.7
53.03939	6.2
53.41172	0.5
55.01871	3.8
56.05019	1.2
63.10792	0.4
65.03937	2.9
65.92873	0.4
67.05496	19.2
68.05019	1.0
71.29977	1.1
77.03918	10.9
78.04701	1.1
79.05485	1.3
80.01160	0.4
80.05009	3.8
81.03409	0.6
81.04530	1.4
81.07045	3.1
82.01421	0.6
83.06100	2.3
95.04958	31.1
95.08583	1.9
96.04485	2.2
96.05303	0.6
97.07648	1.4
100.02481	5.2
105.03379	15.7
105.04452	3.6
106.07344	1.2
107.06059	1.6
108.07664	1.0
118.03514	4.7
119.01904	2.2
123.04417	100.0
123.05486	6.8
123.08138	3.6
123.09124	0.9
123.09975	2.3
123.11714	0.7
124.03915	1.3
124.04793	2.8
124.08706	3.9
137.02934	2.2
139.13503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0442
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01593	1.0
51.02383	5.2
51.14528	0.3
53.03740	0.4
53.03951	6.0
55.01866	1.0
65.03923	1.5
67.05167	0.7
67.05504	10.2
70.02267	1.3
70.02686	0.7
70.92971	0.4
77.03931	12.1
80.05011	1.6
80.89688	0.4
81.04552	0.6
81.07056	2.2
95.04968	19.3
95.08627	0.9
96.04459	0.9
98.21453	0.5
100.02471	3.5
105.03388	15.4
105.04436	2.3
107.06007	0.6
118.03527	3.0
119.01905	1.3
123.04427	100.0
123.05455	3.2
123.09968	0.6
124.03946	0.8
124.04744	3.1
124.08708	0.7
132.59235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99852	0.5
62.01430	0.3
70.03358	0.6
70.03770	0.9
77.00900	0.4
82.01443	8.6
82.99839	0.6
83.01508	0.4
100.02480	44.4
101.00877	13.7
101.01563	0.5
101.02553	2.7
118.03520	28.9
118.72852	0.3
119.01917	100.0
121.02328	0.5
123.04087	0.5
126.32692	0.3
136.04549	0.9
137.02953	45.8
140.84705	0.3
141.05054	0.4
142.03473	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	0.4
53.03946	2.7
55.01865	0.7
56.96568	5.6
57.03434	0.8
58.99844	2.0
61.80495	0.4
62.02190	0.4
67.05504	3.0
69.03429	0.5
69.46136	0.8
69.46552	2.9
70.99863	0.6
71.95257	0.6
77.00830	3.5
77.03917	1.2
78.06345	0.6
78.52927	0.6
79.05481	1.1
80.05008	6.4
81.03417	0.7
81.07042	2.3
82.01437	5.8
82.99844	0.5
83.00763	0.7
86.01295	1.0
92.01320	0.5
95.01943	1.2
95.04969	15.8
95.08607	0.8
96.04494	3.5
98.20763	1.0
98.97565	4.3
100.00113	1.0
100.02479	57.9
101.00876	8.5
101.02521	2.8
105.03409	1.2
105.04508	0.6
113.55544	0.5
113.61860	0.4
116.98617	3.6
117.10188	0.5
118.01177	6.1
118.03516	55.3
118.37725	0.4
119.01915	100.0
119.03639	4.5
120.03970	0.4
123.04418	7.7
123.05544	12.8
123.08049	1.6
124.03930	3.7
124.07631	0.5
128.98619	0.4
134.99644	2.2
136.02165	1.7
136.04535	2.4
137.02954	60.4
139.03467	0.6
141.05034	1.3
142.03485	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	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.30974	0.7
51.02375	3.5
53.03698	1.6
53.03946	26.2
54.03284	0.6
54.03473	7.7
55.01866	6.5
55.05508	1.3
56.96564	1.4
65.03944	12.1
66.04272	1.0
67.02986	1.5
67.05503	2.4
68.05020	2.3
68.06187	1.0
69.28510	2.5
69.28934	6.7
70.06562	1.4
77.03907	6.8
78.04694	2.6
79.05490	29.8
79.05956	1.6
80.05024	1.7
81.03419	4.5
81.04539	16.7
81.05012	0.9
81.05791	1.0
81.07040	1.1
82.05318	16.6
91.05479	100.0
92.05801	3.2
93.07041	79.2
94.04170	1.2
94.06562	4.5
94.07337	1.7
95.04964	68.3
95.06044	11.2
96.05334	1.0
98.20763	1.5
103.05465	25.0
105.04510	17.5
105.07026	58.8
106.06570	5.0
106.07806	2.6
107.04921	1.9
107.07333	35.1
111.04459	2.7
118.62295	0.8
119.08584	4.4
120.05550	1.1
120.08104	2.2
121.02881	7.9
121.03976	2.8
121.06503	49.9
121.07577	3.4
121.10134	18.2
122.06082	3.5
122.07151	59.1
122.09660	38.3
123.08067	6.9
133.07637	3.2
134.98012	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	2.3
52.10739	0.8
53.03703	1.4
53.03941	18.8
53.48670	0.9
54.03456	3.2
55.01865	2.0
55.05514	2.0
63.21370	0.9
65.03927	3.3
67.05492	1.9
70.94851	1.6
70.95216	1.2
75.15143	0.9
77.03922	4.2
79.05487	44.8
80.05824	1.7
81.03416	1.9
81.04521	5.9
81.07059	1.5
82.05322	7.0
91.05474	54.4
92.05798	2.6
92.66335	0.9
93.07036	54.7
94.06483	1.0
94.07374	1.9
95.04964	45.2
95.06065	2.7
96.05287	2.0
102.04683	1.1
103.05457	54.8
104.05772	2.7
105.04510	9.3
105.07021	100.0
106.06608	1.7
106.07905	7.4
107.07334	16.9
114.73215	0.8
119.08562	14.5
121.02827	1.4
121.06495	69.9
121.10132	42.1
122.07158	28.3
122.09656	20.6
122.10456	2.1
123.08061	12.7
133.07623	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	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.01598	0.8
51.02373	1.9
53.03942	15.1
54.03467	1.1
55.01870	2.1
55.05493	2.0
65.03926	2.5
67.02964	0.5
67.05499	1.0
71.51170	0.6
71.51502	0.5
77.03915	3.6
78.04700	0.9
79.05485	39.8
80.05824	1.1
81.03419	1.5
81.04525	2.8
81.07048	1.1
82.05330	2.3
91.05473	54.8
92.05794	1.8
93.07034	49.2
94.07368	1.8
95.04959	45.2
95.06036	1.3
96.05286	1.3
99.82972	0.4
102.04692	0.9
103.05459	58.6
104.05785	3.1
105.04510	8.7
105.07019	100.0
106.06538	1.0
106.07243	1.9
106.07893	6.9
107.07321	7.9
116.96690	0.5
119.08566	15.1
120.05686	0.6
121.02888	1.0
121.06495	68.6
121.10129	44.4
122.07146	11.8
122.09663	7.6
122.10473	1.7
123.07179	0.8
123.08057	13.4
132.45226	0.4
133.07581	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	121.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	4.9
51.50686	1.0
53.03948	24.9
54.03473	13.6
55.01873	5.5
55.05507	3.4
56.96558	1.9
58.88588	1.2
65.03939	13.9
66.04712	1.4
67.03000	1.2
67.05483	3.2
68.05032	2.9
70.06593	2.2
70.73295	1.8
70.73636	2.3
77.03921	6.3
78.04718	2.3
79.05058	2.4
79.05492	32.0
80.04996	2.2
81.03408	4.4
81.04538	23.2
81.05773	2.7
81.07038	1.2
82.05317	27.1
91.05479	93.6
92.05814	1.8
93.03380	1.3
93.07042	73.8
94.04206	2.8
94.06574	5.2
94.07356	3.0
95.04968	61.3
95.06065	14.8
96.05284	1.7
103.05463	29.5
105.04514	15.1
105.07030	76.1
105.53287	1.1
106.06564	6.6
106.07833	2.0
107.04848	1.4
107.07336	65.6
111.04433	2.8
119.08569	6.3
119.68602	1.1
120.08083	3.0
121.02885	9.6
121.03992	5.2
121.06510	49.3
121.07598	4.4
121.08943	1.6
121.09241	1.8
121.10138	21.7
122.07151	100.0
122.09660	79.5
123.08035	7.2
133.07620	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.065
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01595	0.9
51.02378	2.6
53.03942	17.4
54.03465	2.3
55.01862	2.6
56.05032	0.7
56.96556	2.8
57.03435	0.5
60.04511	0.8
65.03938	8.9
67.02980	0.7
67.05489	0.9
68.05019	1.6
71.16360	1.0
77.03922	2.6
79.05486	2.9
81.03411	2.9
81.04534	3.2
81.05790	0.6
82.05314	6.3
91.05474	55.7
92.05798	1.4
93.03379	0.8
93.07036	45.2
94.04159	0.7
94.06574	1.5
94.07348	1.2
95.04962	44.4
95.06072	4.7
96.05282	0.9
96.60351	0.5
98.97584	0.8
102.04710	2.1
103.05459	100.0
104.05801	3.8
105.04499	9.9
105.07016	2.6
107.07330	1.5
111.04420	1.6
116.98611	0.5
121.02863	6.9
121.04088	2.3
121.06495	66.8
121.10117	0.8
122.05981	0.8
122.07152	12.8
122.09668	1.7
126.22378	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.40697	0.5
50.77238	0.4
53.03939	1.8
53.39571	0.6
56.96564	0.6
59.06121	10.1
60.02295	0.5
60.04520	1.7
61.02914	0.6
62.44706	0.4
65.03934	10.1
71.45778	0.5
71.59371	0.9
74.06065	1.9
77.03535	0.8
78.04688	0.7
78.93135	0.9
79.02959	0.7
79.05484	4.8
86.35320	0.5
87.05579	2.2
91.05475	100.0
92.04996	2.1
92.05810	2.7
93.04495	1.0
93.07032	2.8
95.04973	4.2
96.05286	1.2
103.05460	8.0
104.06243	7.2
109.06539	1.1
111.16852	0.5
112.96347	0.5
115.05452	3.3
117.07012	14.0
119.04930	8.8
119.06123	3.6
119.06834	1.4
119.08572	44.3
120.04445	1.8
120.05589	5.3
120.08088	2.2
120.08907	1.7
121.03976	0.5
121.06498	0.7
133.19588	0.6
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
53.03942	2.9
59.06126	8.0
60.04515	1.0
65.03932	5.7
67.05492	0.8
68.75849	0.5
71.59425	0.5
74.06075	0.7
77.03515	0.6
77.03918	0.8
78.04710	1.6
79.05493	9.1
80.08952	0.5
87.05570	1.4
91.05476	100.0
91.30637	0.5
92.04981	1.0
92.05815	3.5
93.04533	0.8
93.07035	4.7
95.04958	6.1
96.05311	1.2
100.93103	0.5
102.04704	0.9
103.05467	14.2
104.06246	13.8
104.06958	0.5
105.04498	1.1
109.06528	1.5
115.05447	5.6
117.07010	19.9
119.04949	3.0
119.06053	2.5
119.08574	90.8
120.04463	1.2
120.05600	2.1
120.08250	2.5
120.08833	2.7
121.03980	0.4
121.06552	0.5
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	Benzofuran
Peak:m/z	Relative Intensity
53.03933	1.0
56.05053	0.7
56.96561	1.7
59.06118	15.4
60.04522	4.0
61.02894	0.5
65.03934	19.5
69.46677	4.2
74.06072	2.0
78.93108	0.8
79.05488	1.1
87.05583	3.1
91.05472	100.0
92.05019	3.3
92.05799	3.6
93.04498	1.0
93.07025	1.6
95.04976	1.4
96.05255	1.4
103.05453	9.0
109.06483	0.6
111.04501	0.6
117.07024	1.7
118.06535	0.5
119.04932	25.1
119.06033	2.9
119.06797	0.9
119.08577	6.3
120.04456	2.4
120.05564	5.7
120.08097	11.0
120.08929	1.0
134.65370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02367	0.4
52.82103	0.2
59.06124	1.3
65.03941	20.9
66.04243	0.3
69.42604	1.5
69.43026	0.9
74.06097	0.3
75.02355	0.4
77.03502	0.8
78.93112	0.3
79.05480	0.8
87.05581	0.6
91.05479	100.0
92.05003	0.7
92.05814	4.2
93.04536	0.4
93.07039	0.8
95.04966	1.3
96.05272	0.3
98.21470	0.5
99.20928	0.3
100.41216	0.3
103.05454	1.3
104.06246	1.1
105.04510	0.3
109.06502	0.4
113.95429	0.3
115.05486	0.4
117.07027	2.9
119.04944	28.4
119.05978	0.9
119.08579	7.6
120.04437	0.6
120.05396	1.7
120.08108	0.7
120.08920	0.3
121.04017	0.3
129.04475	0.3
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
51.02365	0.8
53.03946	2.9
57.53709	0.6
59.06128	1.4
65.03935	4.5
70.36637	0.7
77.03909	0.8
78.04712	1.2
79.05489	7.8
91.05475	100.0
92.05011	0.7
92.05802	3.0
93.07034	8.0
95.04962	7.0
98.20660	1.3
102.04670	0.7
103.04791	0.9
103.05466	15.0
104.05599	1.1
104.06241	13.5
107.95809	0.6
109.06512	2.1
111.71100	0.6
115.05457	5.8
117.07008	42.7
118.07335	0.7
119.04944	2.6
119.06071	2.4
119.08572	82.3
120.04619	0.7
120.05614	1.3
120.08908	2.9
121.06503	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Indole
Peak:m/z	Relative Intensity
50.01596	1.4
51.02368	5.1
52.19052	1.2
53.03946	48.1
53.46623	1.1
55.01868	1.9
59.06105	3.3
65.03937	2.4
69.33871	10.3
69.34276	2.9
72.08128	1.7
76.93362	3.8
77.03913	7.2
79.05496	2.3
81.03400	4.2
86.40565	1.2
91.05475	47.4
93.07053	1.3
95.04964	100.0
96.05305	2.8
103.05471	4.5
104.06237	4.5
105.04520	21.2
115.05447	3.4
116.05773	4.3
117.07015	12.0
118.06536	73.8
118.07224	2.6
118.08646	1.9
118.16036	1.4
119.06864	1.7
119.08572	40.3
128.29692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11160	3.4
56.96556	7.4
59.06125	11.0
63.01998	4.4
65.99343	3.5
67.05488	15.1
70.79665	7.2
70.80067	6.6
79.05502	3.8
80.06266	8.2
81.07069	4.1
85.01431	3.5
85.47048	3.9
91.05486	18.2
93.07034	6.1
95.04939	3.9
101.00889	10.6
103.02463	13.8
107.05250	8.6
107.24443	3.5
116.05779	13.6
116.55841	5.1
119.01910	100.0
121.03487	11.5
129.03970	8.0
137.02954	61.2
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
50.95702	0.2
55.05518	0.2
56.05041	0.6
56.96558	1.3
56.97007	0.2
57.04552	1.8
57.93569	0.7
58.02958	0.5
58.06612	0.3
58.97818	0.2
59.06125	3.2
60.04529	0.9
63.94947	0.2
68.05024	0.4
69.03450	0.2
69.46601	1.3
70.06589	100.0
71.06912	2.0
72.04510	0.5
72.08155	0.4
74.06078	0.5
74.93826	5.8
75.05602	2.0
76.04008	0.5
76.07635	0.5
88.07631	0.5
91.05467	0.4
92.94865	2.4
93.03737	0.4
95.09081	0.2
98.06036	0.4
99.05569	0.7
100.07606	0.2
104.31578	0.2
110.95893	0.7
112.49801	0.2
115.05438	0.7
115.96426	0.8
116.07082	9.1
116.10719	0.4
116.97234	0.2
117.07051	0.5
117.10241	0.3
133.97438	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	6.0
52.13262	1.3
52.18804	1.2
53.03703	2.3
53.03946	44.1
55.01856	2.0
59.06112	6.3
59.93091	1.3
62.63854	1.5
65.03938	4.9
69.78574	8.1
72.87427	1.6
74.57225	1.2
76.51768	1.3
76.93372	10.0
77.03536	1.6
77.03922	9.0
79.05477	2.0
81.03417	4.1
85.25926	1.4
90.82994	1.5
91.05479	64.9
92.05814	1.7
93.07083	2.4
94.94392	2.0
95.04968	100.0
96.05282	3.3
97.47801	1.5
98.20757	1.7
103.05470	6.0
104.06261	6.9
105.04520	19.7
112.07270	1.4
115.05450	4.3
116.05766	4.1
117.07027	17.5
117.95959	1.6
118.06542	68.5
118.07302	4.0
119.04947	3.3
119.06116	2.2
119.06864	2.0
119.08585	45.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03406	4.8
83.04971	1.6
85.02869	1.5
87.34241	0.7
89.03920	5.5
91.05476	1.8
93.03408	1.1
95.04969	4.9
99.04440	1.7
102.98598	0.7
103.05486	1.4
104.28975	0.7
105.03392	2.8
107.04938	9.1
109.02876	4.0
111.00795	13.7
111.04430	13.2
115.05454	1.8
117.03353	4.4
117.06998	1.4
119.04927	2.1
121.02844	2.2
123.04420	83.5
124.04641	0.8
126.22595	0.8
127.03908	92.1
128.04256	1.0
129.06992	1.1
131.04921	4.0
133.02841	0.8
135.04407	84.2
137.02333	5.1
137.05948	1.6
139.03893	52.6
140.04306	0.9
141.06984	2.2
143.04904	1.1
145.02893	2.3
145.06494	3.0
147.04382	9.6
149.02315	9.8
149.05939	4.6
151.03899	18.5
152.97093	0.8
153.01834	1.5
153.05429	1.4
153.06938	1.1
155.04872	2.8
157.06464	1.2
159.04416	4.9
161.02307	1.1
161.05981	5.4
163.03896	73.8
165.01822	1.2
165.05440	5.3
167.03435	6.2
169.04903	2.5
169.06451	2.7
171.04454	1.3
173.05998	7.0
175.03902	4.5
176.04678	0.9
177.05467	9.6
179.03389	12.6
181.04938	1.5
181.06470	1.7
183.04401	2.4
185.05954	2.7
187.03911	11.3
187.07500	0.9
189.05515	4.0
191.03380	14.9
191.06993	1.4
193.04967	2.3
195.04375	0.8
197.06017	5.5
199.03885	0.8
201.05464	13.2
203.03389	19.4
203.07031	3.5
205.04977	4.0
207.02719	0.9
207.06516	1.0
209.06088	0.9
213.05348	4.5
215.03412	5.9
215.06992	2.9
217.04968	4.4
219.06477	2.7
221.04391	1.2
223.02333	2.2
225.05432	2.9
226.86719	0.8
227.06982	1.8
229.04930	21.6
230.05774	0.9
231.02876	1.1
231.06456	3.9
233.04497	5.3
237.05475	2.5
239.07077	1.0
241.04979	3.2
242.05673	0.9
243.02983	1.5
243.06499	7.0
244.03596	1.1
245.04440	100.0
246.04752	1.4
247.05997	69.4
249.05525	0.9
253.04958	3.4
255.06490	3.6
257.04437	21.0
258.05179	2.5
259.06000	12.3
260.06662	0.9
261.07571	4.2
263.05496	2.8
265.05072	1.3
267.06372	1.6
269.04440	7.1
271.05988	39.0
273.03864	1.2
273.07526	2.0
274.04691	6.5
275.05441	29.4
277.04776	0.9
279.06445	1.3
281.04425	3.2
283.06003	13.1
285.03922	2.3
285.07376	1.3
286.04684	1.9
287.05453	36.1
289.07034	47.8
291.08612	23.9
293.04538	1.1
295.05963	3.6
297.03885	5.2
297.07404	2.1
299.05399	7.4
301.07028	12.3
303.04941	1.8
303.08554	2.0
305.04483	1.3
305.07819	1.9
307.05893	1.4
309.03976	2.2
311.05588	4.4
313.07047	4.0
321.03848	1.0
321.07416	1.1
323.05457	4.6
329.06552	1.3
331.08081	3.5
335.05396	1.2
339.04980	1.1
339.08563	1.2
345.07526	2.4
349.07089	1.6
351.05038	1.8
361.06992	4.0
363.04630	1.2
363.08615	2.8
365.06427	3.1
373.07123	2.2
377.06378	2.0
379.08139	7.0
381.05783	1.1
383.07614	2.8
389.06500	5.6
391.08054	5.6
393.06052	3.3
395.07520	3.0
396.08542	1.2
397.09171	15.8
401.06573	2.6
403.08295	1.1
405.06067	2.9
407.07590	37.5
409.09158	39.3
411.10736	4.4
413.07501	0.9
417.05731	1.2
419.07660	7.0
421.09106	5.0
425.08609	21.7
427.10236	17.3
431.07407	0.9
433.09195	6.0
437.08633	16.4
439.10092	1.8
449.08423	5.9
451.10242	9.7
453.11697	1.3
511.06055	1.2
517.11084	4.5
527.09497	2.1
529.11365	0.9
531.12762	1.6
535.12469	6.5
541.11633	3.9
545.10431	3.8
553.33704	0.9
557.10181	1.5
559.12097	6.2
571.12225	1.7
577.13416	9.7
579.14996	14.4
587.11969	1.8
589.12946	1.5
677.12695	1.5
679.13336	2.1
695.13385	2.1
697.15460	7.4
715.16089	3.3
749.34637	0.9
815.14642	1.5
833.17322	1.6
892.09979	1.0
967.20978	1.2
985.21039	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.277
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03412	4.6
83.01340	0.4
83.04971	1.1
85.02885	1.7
88.34949	0.4
89.03902	5.5
91.05485	2.0
93.03385	1.1
93.31530	0.4
95.04959	4.9
97.02882	0.4
99.04443	1.3
103.05463	2.0
105.03371	1.8
105.06995	0.6
107.04944	8.0
109.02875	4.7
111.00790	10.2
111.04431	13.2
115.05419	2.1
117.03381	2.6
117.07030	0.8
119.04887	2.5
121.02870	2.1
123.04416	83.1
123.82811	0.4
127.03904	89.8
128.06219	0.6
129.06996	0.6
131.04916	4.3
133.06500	0.9
135.04404	78.5
136.04681	0.8
137.02316	5.3
137.05939	1.6
139.03888	56.4
141.01807	0.4
141.06955	1.2
143.04898	1.3
145.02824	1.2
145.06506	2.1
147.04381	10.6
149.02330	8.8
149.05943	2.5
150.03058	0.9
151.03891	19.6
152.06142	0.6
153.01845	2.1
153.05429	1.1
153.06973	0.8
155.03583	0.7
155.04893	3.0
157.06491	1.9
159.04402	5.1
161.02332	1.1
161.05975	5.6
162.03148	0.5
163.03891	78.3
164.04466	0.9
165.01811	1.5
165.05475	6.3
167.03418	5.4
167.04770	0.6
169.04941	2.4
169.06204	2.4
171.04361	1.0
173.02357	1.0
173.05974	7.6
173.07358	0.9
175.03897	4.8
175.07562	0.7
176.04613	0.6
177.05455	10.0
179.03380	13.7
179.06940	0.6
181.04933	2.3
181.06464	1.5
183.04401	3.1
183.08061	0.4
185.05904	2.6
187.03865	11.6
187.07538	1.0
188.04709	0.4
189.01961	0.7
189.05444	4.7
190.02576	0.5
190.05975	0.6
191.03374	15.2
191.07071	0.7
193.04987	2.5
197.05959	5.7
198.06575	0.5
199.03932	0.8
199.07472	0.6
200.04617	0.6
201.05460	13.8
203.03365	19.2
203.06995	3.2
205.04956	3.9
207.02866	1.0
207.06461	1.4
209.05934	1.1
211.03865	1.5
211.07567	0.5
213.05473	5.3
214.06087	0.5
215.03398	5.1
215.06987	3.5
216.04034	0.6
217.04984	4.2
219.06464	1.9
219.08336	0.4
221.04234	0.6
221.06068	0.5
223.02232	2.7
225.05405	3.2
227.03398	1.4
227.06949	1.3
229.04944	17.7
230.05452	0.7
231.02849	1.9
231.06447	4.1
233.04396	5.5
235.02350	1.2
237.02879	0.8
237.05383	1.6
239.07021	0.7
241.04941	4.7
242.05730	0.6
243.02783	1.1
243.06441	6.8
244.03685	0.5
245.04433	100.0
246.04805	1.3
247.06000	75.5
248.06378	0.9
249.05331	0.6
251.05521	1.4
253.04875	4.3
255.06517	3.7
257.04431	20.6
258.05109	2.2
259.05975	11.8
260.06665	0.9
261.03665	0.8
261.07516	4.2
263.05377	2.6
265.05063	2.3
267.06418	2.2
269.04431	8.4
270.05002	1.2
271.05981	39.9
272.06204	0.6
272.81848	0.5
273.03934	1.0
273.07578	2.1
274.04700	5.5
275.05453	30.1
277.04895	0.7
279.06378	1.6
281.04572	2.7
281.07214	0.6
282.05115	0.5
283.02817	0.9
283.05988	13.5
285.03891	3.3
285.07544	1.5
286.04626	1.8
287.05463	41.1
288.05804	0.8
289.07037	50.1
290.07440	0.7
291.08615	22.8
293.04504	0.8
295.05984	4.3
297.03860	4.5
297.07498	1.4
299.05457	7.4
301.07034	14.1
303.05118	2.4
303.08505	2.4
305.04483	0.6
307.05936	1.4
309.03885	2.2
309.07440	1.1
311.05505	3.2
313.06992	3.6
315.05716	0.6
317.07932	1.3
319.06067	0.9
321.04123	0.9
321.07590	1.3
323.05496	4.6
325.06827	1.1
327.05017	0.6
329.06363	1.0
331.08313	2.5
333.07419	1.4
335.05240	1.0
337.06955	1.5
339.05023	1.4
339.08792	0.9
341.06812	0.4
345.07397	1.4
347.05405	0.7
349.07187	1.3
351.05014	2.6
361.07095	3.9
363.04758	1.3
363.08554	2.3
365.06647	2.8
367.08212	1.0
373.07043	1.9
375.04562	0.6
377.06531	2.7
378.06793	0.5
379.08066	7.8
381.05722	1.1
381.09808	1.3
383.07504	2.8
385.06592	0.6
387.08740	0.7
389.06458	5.3
391.08133	6.2
393.05853	4.6
393.09848	0.3
395.07462	3.7
396.08243	0.8
397.09137	12.7
401.06375	1.6
403.07932	1.3
405.05457	3.2
407.07587	37.3
408.08212	0.5
409.09128	40.8
410.09247	1.0
411.10620	5.8
415.08130	1.3
417.05573	0.8
419.07574	8.1
421.09305	3.7
423.11044	0.8
424.79602	0.5
425.08640	23.0
426.08710	0.7
427.10229	22.8
431.07388	2.0
433.09250	5.0
435.10974	1.2
437.08652	13.7
439.10193	2.7
449.08704	5.0
451.10205	10.1
453.11859	2.3
459.07574	0.6
467.09024	0.6
469.11096	0.8
485.09610	0.5
509.08060	0.5
515.09229	0.9
517.11340	4.7
527.09894	2.7
529.10889	1.5
531.12830	1.0
535.12274	6.0
541.11383	4.6
543.08807	0.8
545.10956	3.7
557.10852	1.2
559.12201	5.8
561.13837	1.1
563.11499	0.7
569.10449	1.2
571.11896	1.8
575.11572	1.2
577.13354	12.2
579.14990	17.5
587.11169	0.7
589.13049	2.1
663.10431	0.6
665.09814	1.0
677.11902	1.1
679.14325	2.7
695.13263	1.6
697.15491	6.2
699.16626	1.3
713.13971	0.6
715.16382	3.0
739.15881	0.6
797.13507	0.6
815.15625	1.0
833.16595	0.9
867.19934	0.8
967.18561	1.2
985.20056	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0756
Annotation	trans-2-Hexenoic acid
Peak:m/z	Relative Intensity
50.58052	0.5
53.00317	0.8
53.03942	2.9
54.03460	1.7
55.01870	12.7
55.02985	0.8
55.05510	11.5
56.03769	3.6
56.05031	17.6
56.96561	9.9
57.03434	14.2
57.04558	4.4
57.93557	1.9
58.02959	2.8
58.06599	3.4
59.03297	0.7
59.03743	7.3
59.04995	4.7
59.06122	3.4
60.04525	3.5
66.05083	0.5
67.02993	1.3
67.05499	8.1
68.05028	2.0
69.03434	6.0
69.03776	1.0
69.04550	4.8
69.07063	100.0
70.02948	1.9
70.05329	1.2
70.06587	29.2
70.07389	4.0
71.01382	0.8
71.04987	1.7
71.06125	0.7
71.06918	0.7
71.50993	1.3
72.04505	3.0
72.06892	0.9
72.08146	5.6
72.93787	3.9
73.02929	0.8
73.04039	1.6
73.06552	18.1
73.07674	16.0
73.08506	0.8
73.93829	3.7
74.02436	1.2
74.04803	2.6
74.06073	6.6
74.93825	16.7
75.04505	0.6
75.05158	1.8
75.05582	1.1
77.72962	0.5
79.05486	21.4
80.05013	2.2
80.05840	2.2
82.05318	5.9
83.00781	2.1
83.01335	3.9
83.06096	1.1
85.04029	2.3
85.07636	0.6
86.06068	2.1
87.00811	0.8
87.04463	3.5
87.05576	2.8
87.09228	1.8
88.07627	2.1
90.94830	1.1
91.05473	2.4
91.94902	0.7
92.01323	1.0
92.94853	6.9
95.04967	3.4
97.02897	0.9
97.04015	2.3
97.06525	51.9
97.07651	6.6
98.02409	1.0
98.04803	2.5
98.06059	6.6
98.06889	2.3
98.09707	0.8
99.05611	1.7
99.07944	0.8
108.95861	1.0
110.95862	1.4
113.02637	0.7
115.03931	7.8
115.05055	4.2
115.05441	2.6
115.06151	0.6
115.06902	0.7
115.07625	4.4
115.08704	6.6
115.09522	7.3
115.10316	0.6
115.10589	0.6
115.12390	0.7
115.96444	1.9
116.07070	2.1
116.08202	3.0
116.97263	1.0
122.03085	0.6
134.99629	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0807
Annotation	trans,trans-2,4-Heptadienal
Peak:m/z	Relative Intensity
51.02370	0.5
53.03942	4.1
54.03464	1.1
55.01868	6.7
55.05508	22.2
56.05032	5.1
56.05837	0.5
56.96555	1.2
57.03425	0.8
58.06572	0.5
65.03938	5.4
67.02987	0.8
67.05497	6.5
68.02609	0.5
68.05027	5.8
68.99795	1.0
69.03424	14.7
69.04548	2.0
69.07063	3.7
70.02955	1.2
70.06588	58.8
70.09547	2.1
70.94250	4.8
70.95856	1.5
71.06957	0.9
71.07367	8.0
79.05495	1.6
81.03397	1.0
81.07074	2.5
82.05325	0.7
82.06570	1.1
83.04986	6.6
83.06081	3.8
83.08614	5.0
84.04520	1.2
84.08141	7.3
85.07648	0.9
87.00511	0.4
88.00493	3.1
88.95297	1.6
89.00252	1.3
91.05476	13.8
93.03401	1.0
93.04494	0.6
93.07034	17.2
94.02935	1.2
94.06561	12.5
95.04961	8.8
95.06088	2.0
96.05733	1.4
96.06873	9.7
97.00989	5.1
97.02893	1.1
97.04011	0.5
97.51198	0.6
105.04514	1.6
106.01475	0.6
110.07158	1.3
111.04443	17.7
111.05568	6.9
111.08081	56.4
111.09203	100.0
112.03956	1.7
112.04798	0.8
112.06258	1.3
112.07629	6.6
112.08696	5.7
112.09542	2.0
115.96422	3.3
116.97287	0.7
123.88469	0.5
129.97855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
53.03948	7.1
54.03483	1.0
55.01869	10.3
55.02975	0.6
55.05509	32.8
56.05037	4.4
56.05853	0.9
57.03429	1.5
65.03937	5.9
67.05499	9.0
68.05024	6.4
69.03428	23.0
69.03805	1.1
69.04542	2.3
69.07077	3.7
69.96354	3.1
70.02957	1.5
70.06589	54.0
70.94252	4.1
70.95839	1.6
71.06107	1.3
71.06954	1.0
71.07365	7.8
73.64168	0.6
77.03924	0.8
79.05489	1.2
81.07056	2.9
82.06557	0.9
83.04977	7.3
83.06100	4.6
83.08613	6.2
84.04512	1.6
84.08127	5.9
85.07677	0.9
88.00488	2.8
88.95296	1.0
89.00240	0.9
91.05475	17.6
92.05837	0.8
93.03421	1.3
93.05773	0.8
93.07037	24.4
94.02915	1.1
94.06554	10.4
95.04966	14.3
95.06076	2.6
96.05730	2.0
96.06856	8.2
97.00995	5.5
98.00772	0.8
101.01899	0.7
103.55299	0.7
105.04510	3.0
106.01531	0.8
110.07195	0.9
111.04442	21.6
111.05589	8.6
111.08081	81.7
111.09204	100.0
112.03968	1.1
112.06267	1.0
112.07657	7.2
112.08691	8.6
112.09550	3.1
115.96440	2.4
116.97253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1124.5554
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07056	3.3
83.08598	2.5
85.06467	0.4
85.10175	4.6
89.05983	0.4
90.09187	15.6
93.07075	0.5
95.08602	5.1
97.10124	1.1
109.10149	2.2
111.11654	0.6
123.11663	1.0
137.13141	0.6
170.05757	37.6
179.43831	0.3
182.05467	0.4
194.14050	0.4
224.56133	0.3
239.23628	0.9
244.09410	4.8
257.24753	0.4
266.48251	0.4
313.27328	100.0
314.27710	1.3
397.12634	0.5
411.14536	0.6
412.14984	0.7
425.16055	2.1
426.16751	1.3
427.17508	0.6
437.12149	0.6
438.13077	1.4
439.14005	1.9
440.18542	0.9
441.19327	3.9
442.19104	1.0
451.13660	0.8
452.14444	1.4
453.14935	2.7
454.16306	1.0
464.31339	41.4
465.31528	0.8
467.17154	4.3
468.17587	3.9
469.18781	2.1
470.19196	0.4
478.15939	0.5
480.13919	0.9
481.14536	3.5
482.15683	1.6
482.32391	78.1
483.32898	1.8
495.16559	13.8
496.16873	17.0
497.17346	1.3
508.19858	0.4
509.18994	0.7
510.18576	0.7
513.17859	1.0
514.17694	0.8
525.16962	0.6
527.36816	0.4
528.19348	0.6
536.19659	0.7
537.19299	1.3
555.22491	2.6
568.18939	0.4
582.21295	0.6
583.21796	11.5
584.22119	4.3
610.20819	0.5
611.20697	1.6
615.24371	1.1
628.20648	0.6
642.23169	22.7
643.23505	43.4
644.23584	2.7
645.23993	0.4
727.63348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02369	1.9
53.03942	32.6
55.01866	4.5
55.05499	5.9
56.05032	1.9
65.03936	15.5
65.97837	0.8
66.04722	3.5
67.02978	1.7
67.04238	2.7
67.05498	36.7
67.93584	0.8
68.05022	23.9
68.05392	1.3
68.95280	1.2
69.03423	2.2
69.04552	3.0
69.05382	1.1
69.05791	1.4
69.07054	3.1
71.00939	1.3
79.05489	100.0
80.05016	3.6
80.05814	1.7
80.06263	0.9
81.03413	78.1
81.04468	1.6
81.07050	80.7
82.03732	1.4
82.05296	0.8
82.06573	19.3
82.07369	1.5
83.06107	1.5
87.00469	2.2
88.44088	0.7
91.05471	13.2
92.05000	5.3
93.03422	0.8
93.04518	0.9
94.04179	9.2
95.04954	4.2
95.20446	0.7
105.04534	1.2
107.04964	2.4
107.08602	1.7
109.02862	6.8
109.04009	1.2
109.06521	72.0
109.07645	52.8
109.10139	14.7
110.06094	6.7
110.07216	10.1
110.07960	1.4
111.04411	1.1
113.43719	0.8
113.96403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02368	0.7
53.03945	11.8
55.01871	6.6
55.05514	4.4
56.96574	0.5
57.17733	0.5
65.03935	6.0
66.04729	1.1
67.04249	1.0
67.05504	39.1
68.05035	6.1
68.95271	1.2
69.04546	5.3
69.07078	2.8
71.59108	0.7
71.59522	0.7
75.01051	0.6
76.75253	0.5
78.69103	0.4
79.05491	45.4
80.05799	1.0
81.03417	14.3
81.04533	0.8
81.07054	47.9
82.06576	3.4
82.07365	0.8
83.06098	1.2
86.00683	1.0
86.50608	1.0
87.00471	4.7
91.05476	14.8
92.04984	0.7
93.04531	1.3
94.04176	4.8
95.04962	2.2
96.00972	1.9
98.51231	0.6
107.04966	1.3
107.08578	1.2
108.94630	0.5
109.02860	2.7
109.06517	100.0
109.07594	9.1
109.10149	16.2
110.06038	6.1
110.07146	16.8
111.04432	0.7
113.96399	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.49126	0.5
53.03950	4.1
55.05507	11.0
65.03937	5.3
67.05502	100.0
68.05035	2.1
68.05836	1.9
69.04546	1.3
69.07065	7.0
71.60021	0.7
79.05493	10.6
80.06264	1.7
81.03414	4.0
81.07054	36.4
82.06584	1.9
82.07396	0.8
87.00465	1.8
91.05469	1.7
94.07820	1.3
105.07057	0.6
107.08575	3.4
109.06522	3.4
109.07634	4.8
109.10153	41.0
110.06041	1.6
110.07156	5.3
110.10496	1.7
113.96397	1.0
125.92065	0.4
128.24496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0651
Annotation	o-Cresol
Peak:m/z	Relative Intensity
51.02376	1.7
52.21030	0.9
53.00281	1.5
53.03705	1.8
53.03946	35.2
54.03463	1.8
55.01875	7.1
55.05509	13.1
55.40315	0.7
56.05032	1.7
56.96543	1.0
65.03941	21.7
66.04713	2.4
67.02989	2.1
67.04258	2.1
67.05503	95.3
68.05029	27.8
68.05823	1.1
68.15794	0.9
68.86292	0.7
68.95280	1.0
69.03421	1.9
69.04543	6.4
69.05763	1.1
69.07066	6.1
71.36838	1.9
72.93787	0.9
77.03947	0.9
79.05492	58.0
80.05016	2.2
80.05833	1.4
80.06269	1.9
81.03414	83.7
81.04429	1.9
81.07055	78.6
82.03767	1.6
82.05325	1.1
82.06577	21.8
82.07352	1.9
83.06094	3.6
86.50611	0.8
87.00459	7.5
88.11598	0.8
91.05479	25.8
92.04996	5.3
93.04563	1.2
93.05766	1.1
94.04185	29.2
94.07835	1.4
95.04964	2.5
95.06026	0.9
96.00980	1.7
105.04524	0.8
107.01319	1.3
107.04958	13.2
107.08585	2.9
109.02883	13.5
109.04022	1.9
109.06512	100.0
109.07638	62.1
109.10150	41.2
110.06075	11.9
110.07193	19.9
110.10505	1.0
110.49137	0.9
111.04446	2.4
113.96367	2.0
119.06049	1.2
124.66061	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17187	0.9
51.02376	1.6
53.00319	1.1
53.03945	34.3
54.03456	1.6
55.01856	3.4
55.05506	6.6
56.05036	0.9
65.03936	14.5
66.04709	2.8
67.02984	1.4
67.04243	3.5
67.05499	38.8
67.93542	1.0
68.04668	1.2
68.05026	23.6
68.95276	1.3
69.03396	2.6
69.04534	2.1
69.05795	1.2
69.07044	2.3
70.72568	2.2
79.05488	100.0
79.33199	0.9
80.05006	2.3
80.05812	1.4
81.03413	77.8
81.07050	88.8
82.02910	1.3
82.03749	1.1
82.06575	17.4
82.07357	2.1
87.00449	1.9
91.05466	10.0
92.05002	3.9
94.04189	7.8
95.04949	4.6
95.17169	0.8
105.04501	1.7
107.04943	2.3
107.08600	1.5
109.02893	5.3
109.04012	1.3
109.06503	74.8
109.07627	47.7
109.10142	12.8
110.06042	5.2
110.07193	8.1
113.96358	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	2.0
53.00309	1.1
53.03945	30.7
54.03471	1.0
55.01870	6.1
55.05507	13.8
55.93492	0.8
56.05045	1.1
56.96556	1.2
60.68101	0.8
65.03935	20.3
66.04713	1.9
67.02996	1.2
67.04252	2.2
67.05501	94.3
67.84949	0.6
68.05024	22.7
68.05389	1.4
68.05827	1.0
68.95288	1.9
69.03432	2.1
69.04553	3.2
69.05807	1.2
69.07069	6.7
73.34937	0.8
79.05489	57.3
80.05009	3.5
80.05817	1.1
80.06281	1.2
81.03413	84.9
81.04472	1.7
81.07051	80.2
82.03747	1.7
82.06574	16.5
82.07368	1.6
83.06090	2.3
87.00455	5.0
91.05475	27.9
92.05011	3.8
92.05802	0.7
93.04509	0.8
94.04181	29.8
94.07840	1.3
95.04967	2.4
103.39334	0.7
107.04951	11.6
107.08591	4.2
109.02870	11.8
109.04004	1.7
109.06512	100.0
109.07641	42.5
109.10146	37.5
110.06068	7.1
110.07169	16.1
110.07905	0.5
111.04422	3.2
113.96395	2.7
117.94240	0.7
119.06029	1.5
129.97923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
52.75819	0.3
53.03942	2.3
53.13083	0.3
55.01867	0.9
57.30014	0.3
61.01589	0.2
61.88513	0.3
64.96426	0.3
65.03941	13.5
66.04265	0.5
67.04250	0.6
67.05500	2.5
69.77547	0.3
70.75735	0.5
70.76078	0.4
71.72541	0.3
79.05493	17.1
80.05017	2.9
81.03388	0.3
91.05478	100.0
92.05801	1.5
92.06301	2.5
95.04959	4.4
103.05463	0.9
105.04527	1.1
105.07028	31.1
106.06567	0.8
106.07343	0.7
107.04953	13.9
107.06058	1.8
107.08591	37.4
108.04494	0.3
108.05630	0.7
108.08132	0.6
108.08938	0.9
109.06512	19.0
110.06866	0.3
119.06069	5.6
124.05232	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
51.02366	2.5
53.03701	2.5
53.03945	45.9
54.04248	1.6
55.01875	1.7
56.96552	2.3
65.01705	1.3
67.05497	1.5
69.46470	11.1
70.89656	1.3
81.03412	100.0
82.03726	1.7
109.02190	1.9
109.02864	12.1
109.07590	2.3
113.45776	1.3
115.30766	1.5
123.31133	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0287
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
50.01594	0.6
51.02374	2.1
53.03943	28.4
54.04274	0.8
55.01871	2.0
55.05490	0.4
56.96562	9.6
57.03431	0.7
58.99874	0.2
59.52194	0.2
60.02140	0.3
61.02932	0.7
62.99077	0.4
63.35976	0.2
65.00642	0.3
65.03920	0.9
65.57127	0.2
67.01848	0.2
67.04245	0.5
67.05499	4.4
67.93570	0.2
68.00256	0.6
68.02646	0.3
68.05023	1.6
68.05875	0.2
68.95279	0.6
69.01914	0.4
69.03423	0.4
69.65422	0.7
69.65845	0.6
70.98112	0.2
71.02979	0.4
71.95254	0.6
72.96027	0.2
73.02905	0.3
74.97601	0.3
75.04472	0.3
76.01485	0.2
76.51628	0.2
77.00785	3.7
78.52960	0.4
79.05482	1.2
80.03509	0.4
80.05009	1.1
80.51418	0.2
81.03412	100.0
81.07046	2.6
82.01423	0.3
82.03737	2.5
82.04170	0.2
82.06567	1.5
83.00776	1.2
83.01196	0.2
83.06101	0.2
84.01544	0.2
84.96046	0.2
85.02912	0.5
86.01308	1.3
86.52662	0.3
86.99346	0.3
87.00853	0.2
88.02662	0.2
88.51570	0.3
89.52057	0.2
91.00527	0.4
91.05484	0.7
92.01311	1.0
92.04986	0.5
93.02064	0.2
93.05773	0.7
94.04166	0.7
95.01319	0.5
95.03383	0.2
95.04935	0.2
97.00520	0.2
97.52073	0.2
98.01259	0.3
98.21466	0.4
98.97582	3.7
100.01028	0.2
100.02456	1.4
101.00890	0.3
103.02425	0.3
104.01349	0.4
104.01965	0.6
105.00363	1.1
106.01012	0.3
108.04441	0.2
109.02872	12.1
109.05247	0.3
109.06497	1.3
109.07632	2.7
109.08436	0.8
109.10141	1.3
110.02510	0.2
110.03204	0.4
110.06034	16.9
111.04466	0.2
115.02417	0.2
116.48157	0.2
116.98615	3.5
118.01131	2.1
118.03519	1.3
119.01209	0.2
119.01919	1.9
120.01968	0.2
121.03428	0.3
122.03016	0.5
123.01402	0.4
128.98561	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38344	0.4
51.02383	1.4
53.03945	9.1
55.01864	2.3
55.05511	0.4
64.12608	0.4
65.03938	15.4
66.69420	0.4
67.04243	0.4
67.05499	3.6
70.57275	1.0
77.03918	2.0
79.05490	45.0
80.05017	2.5
80.05813	1.2
81.03419	1.1
84.84594	0.3
87.80956	0.4
91.05478	100.0
92.05790	1.5
92.06289	3.6
95.04965	20.6
98.21443	0.5
103.05455	0.9
105.04512	3.4
105.07028	27.7
106.04153	0.5
106.07339	0.6
107.04951	59.9
107.06109	2.3
107.08589	30.2
108.05244	1.9
108.08903	0.8
109.06509	15.1
119.06061	4.3
124.05209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0858
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02371	0.6
53.03943	6.4
55.01873	1.7
57.33777	0.5
65.03940	13.8
67.04252	0.6
67.05505	2.4
71.20919	1.2
77.03940	0.8
79.05492	28.2
80.05011	1.5
81.03419	0.8
85.92253	0.4
91.05478	100.0
92.05790	1.7
92.06280	3.0
95.04964	10.9
96.05267	0.6
101.08744	0.5
103.05453	0.6
103.80767	0.4
105.04536	2.8
105.07028	27.7
106.04165	0.5
106.07334	0.9
107.04951	29.7
107.06068	0.8
107.08590	28.5
108.05279	0.9
109.06516	16.2
110.06860	0.5
119.06068	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01591	1.3
51.02370	2.2
53.03944	13.4
58.93678	0.7
60.95843	1.6
64.95536	2.4
65.03937	3.1
70.06574	0.9
71.60351	1.2
77.03934	2.5
79.05491	54.4
80.05815	1.2
81.03416	0.9
85.31943	0.7
88.07648	1.0
91.48203	3.1
95.04964	32.5
96.04536	0.8
96.05320	1.3
100.48714	2.3
103.05466	36.3
104.05756	0.8
104.90843	3.0
105.03404	1.4
105.04535	8.5
105.07027	100.0
105.11031	0.9
106.06556	2.7
106.07359	3.2
114.49706	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0495
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02372	1.2
52.73132	0.2
53.03701	0.5
53.03947	8.5
55.01871	2.1
65.03945	0.4
67.04238	1.6
69.92915	0.9
69.93324	0.8
70.49496	0.3
70.63224	0.3
77.03934	1.8
79.05491	24.3
80.05012	2.4
80.05788	0.3
81.03413	1.5
91.05473	1.9
95.04966	20.3
96.05296	0.5
98.20882	0.4
105.04514	4.8
105.07018	0.5
107.04951	100.0
108.05225	2.9
108.08121	0.5
109.06535	0.5
115.41170	0.3
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
50.01592	0.4
51.02371	1.2
53.00311	2.9
53.03947	7.8
55.01876	2.2
56.96565	5.3
58.99860	1.5
59.52181	0.8
60.04515	0.8
60.95824	0.4
61.04868	2.0
65.03932	0.6
66.52979	0.5
67.18151	0.4
71.01359	2.0
71.05009	0.4
72.05317	0.6
76.51398	0.6
77.00898	1.3
77.01324	0.4
77.03916	1.8
78.00985	0.4
79.05492	15.2
80.05014	2.1
81.03412	1.7
81.99963	0.5
82.01434	4.1
83.01543	0.7
84.01579	0.5
85.01414	0.7
85.02905	3.5
85.51923	8.1
85.65922	0.4
86.02048	0.8
86.51789	1.2
86.99265	0.4
89.07967	0.4
91.00529	0.7
91.05475	3.2
93.01973	0.6
93.05750	0.6
94.52438	13.0
95.01981	0.4
95.02512	1.8
95.04967	17.7
95.52300	2.3
96.05328	0.6
97.02721	0.6
99.53449	0.5
100.02479	27.9
101.02534	3.6
102.02242	4.3
103.02455	4.1
103.52953	1.7
104.02161	1.1
104.52806	0.4
105.02127	0.7
105.04516	3.9
105.07027	0.7
106.52410	0.6
107.04954	100.0
108.04522	0.8
108.05309	2.9
108.08115	1.8
113.02359	2.9
114.04009	0.7
118.03520	17.6
119.01936	0.4
119.03598	2.6
120.03254	3.2
121.03484	3.4
122.03622	0.7
123.01445	0.5
123.03258	0.7
123.04117	0.6
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	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01599	0.5
51.02365	1.3
51.39524	0.3
53.03944	10.8
54.04282	0.5
55.01867	0.6
56.96559	0.4
60.04516	0.5
64.42780	0.3
71.12797	0.6
72.83812	0.3
77.03920	3.0
79.05488	55.3
80.05837	1.3
81.03418	1.3
84.60857	0.2
95.04963	28.7
96.05294	0.5
103.05462	42.4
104.05762	1.4
105.04533	5.3
105.07023	100.0
106.07354	3.7
112.50330	0.3
118.30837	0.3
119.68727	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01589	0.9
51.02374	2.9
52.48514	0.5
53.03945	21.8
55.01861	1.6
56.05027	6.7
56.62314	0.6
56.96551	0.9
57.03450	1.1
57.04536	1.0
57.05367	5.9
58.02948	1.4
58.06592	8.7
59.06122	10.7
60.02137	9.3
60.04526	4.0
60.95847	0.7
62.06087	15.5
62.79809	0.5
62.92972	0.9
68.05013	1.1
72.04493	0.9
73.02895	0.5
73.07668	3.1
74.06071	1.2
75.04464	2.8
75.05606	3.2
77.03927	4.8
81.03403	2.2
85.02906	2.0
85.04866	0.7
85.07643	3.0
86.06062	12.0
86.09686	1.3
87.04478	1.4
88.01616	5.4
95.04963	51.6
98.20742	1.6
102.04678	6.0
103.03998	7.1
103.05462	100.0
103.08697	28.6
103.09406	1.3
104.05782	2.9
104.07072	0.6
104.10754	0.9
105.04510	9.8
119.89489	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03738	0.6
51.02372	3.9
53.03945	23.9
55.01880	1.2
56.05032	5.4
56.96571	1.2
57.03438	1.2
57.05370	4.3
58.02959	1.5
58.06600	4.8
59.06123	8.7
60.02147	4.4
60.04519	3.5
60.95848	0.6
62.06089	10.9
62.93011	0.6
69.03403	0.7
69.07052	0.7
70.07802	0.6
70.09466	2.2
70.38994	0.6
73.02923	0.7
73.07681	3.0
74.06068	0.8
74.85938	0.5
75.04491	1.1
75.05596	1.9
77.03935	3.6
80.89299	0.6
81.03416	2.5
85.02899	1.1
85.04826	1.1
85.07655	3.4
86.06064	9.1
88.01601	4.0
92.03527	0.7
95.04965	59.6
102.04675	5.2
103.04006	5.0
103.05465	100.0
103.08699	22.3
104.05798	2.8
105.04510	10.4
122.48688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1023.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01356	0.3
71.59425	0.5
73.02925	2.0
79.05492	2.7
81.03429	1.4
81.07057	3.0
83.08622	0.6
85.02895	4.3
91.03946	1.9
91.05474	2.4
93.07047	2.3
95.04942	0.8
95.08631	1.4
97.02899	3.3
97.06548	0.4
101.02393	1.2
105.07046	1.6
107.08632	1.1
109.10133	0.5
117.07066	0.5
119.08591	1.0
121.10174	0.4
123.08102	0.4
127.03909	1.0
131.08629	0.7
133.10158	0.9
145.10170	0.4
149.09674	0.3
157.10042	0.3
159.11743	0.4
185.04219	0.7
200.01935	0.3
203.05301	0.8
227.25739	0.3
229.19180	0.3
232.20251	0.3
243.08305	2.3
253.12924	0.7
271.14151	0.5
277.14078	0.4
333.20221	2.2
347.09555	2.2
353.97662	0.4
363.09134	0.5
363.85278	0.4
365.10788	0.5
389.23096	1.1
405.13721	5.1
421.13538	0.4
439.19858	1.4
453.21002	1.7
469.20328	0.4
516.01123	0.4
551.28192	7.0
601.24725	0.5
615.25970	1.0
713.33490	7.6
861.50000	0.8
925.48029	0.9
956.75970	0.3
1023.54950	100.0
1024.54065	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	1023.5492
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01356	0.3
71.59425	0.5
73.02925	2.0
79.05492	2.7
81.03429	1.4
81.07057	3.0
83.08622	0.6
85.02895	4.3
91.03946	1.9
91.05474	2.4
93.07047	2.3
95.04942	0.8
95.08631	1.4
97.02899	3.3
97.06548	0.4
101.02393	1.2
105.07046	1.6
107.08632	1.1
109.10133	0.5
117.07066	0.5
119.08591	1.0
121.10174	0.4
123.08102	0.4
127.03909	1.0
131.08629	0.7
133.10158	0.9
145.10170	0.4
149.09674	0.3
157.10042	0.3
159.11743	0.4
185.04219	0.7
200.01935	0.3
203.05301	0.8
227.25739	0.3
229.19180	0.3
232.20251	0.3
243.08305	2.3
253.12924	0.7
271.14151	0.5
277.14078	0.4
333.20221	2.2
347.09555	2.2
353.97662	0.4
363.09134	0.5
363.85278	0.4
365.10788	0.5
389.23096	1.1
405.13721	5.1
421.13538	0.4
439.19858	1.4
453.21002	1.7
469.20328	0.4
516.01123	0.4
551.28192	7.0
601.24725	0.5
615.25970	1.0
713.33490	7.6
861.50000	0.8
925.48029	0.9
956.75970	0.3
1023.54950	100.0
1024.54065	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	1019.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03917	1.2
77.24506	0.6
79.05486	1.7
81.03423	3.5
83.04987	1.6
85.02879	1.9
89.03912	3.1
91.05476	1.6
95.04957	3.4
97.02880	0.7
103.05451	1.7
105.03382	1.4
107.04939	5.3
109.02862	3.1
111.00799	6.0
111.04430	12.9
115.05426	1.7
117.03365	2.8
117.07045	0.8
119.04929	1.5
121.02876	2.5
121.38009	0.6
123.04417	100.0
124.04753	1.1
125.02370	0.7
127.03906	73.8
128.04228	0.7
131.04901	3.8
133.06474	0.7
135.04405	72.5
136.04736	0.7
137.02373	4.4
137.05960	0.8
139.03893	53.0
140.04201	0.6
141.06963	1.6
143.04871	1.3
145.02901	1.2
145.06467	1.7
147.04407	9.7
149.02356	5.8
149.05972	2.7
150.03131	1.0
151.03888	24.7
153.01825	12.3
153.05254	0.8
153.07071	1.0
155.04919	2.5
157.06485	1.2
159.04395	4.8
161.05968	4.8
163.03893	59.3
164.04306	1.2
165.01852	0.8
165.05487	2.9
167.03394	6.2
169.04964	4.6
169.06496	2.1
171.04399	1.2
173.02438	1.4
173.05965	5.3
175.03882	4.2
175.07452	0.9
176.49159	0.6
177.01733	0.6
177.05443	8.7
179.03366	9.7
179.04877	0.8
181.04984	1.3
181.06415	1.0
183.04428	2.3
185.05951	2.3
187.03842	8.3
189.01825	0.8
189.05429	5.4
191.03351	9.7
193.04968	3.8
197.01187	0.8
197.05933	4.6
201.05449	10.6
201.07164	0.9
203.03374	15.4
203.07071	2.6
205.04942	2.8
207.02884	1.2
211.03946	1.0
213.05487	3.5
215.03358	3.6
215.06967	3.5
217.04974	2.6
219.06490	1.4
221.04297	0.9
221.06107	1.1
223.02310	3.7
225.05479	3.2
227.03397	1.4
227.07077	2.1
229.04935	12.2
231.02853	1.0
231.06343	2.9
233.04427	5.7
235.02359	1.4
237.05449	1.5
239.03294	0.9
239.07050	1.1
241.04977	2.9
243.06453	4.5
245.04439	52.3
246.04781	1.0
247.05995	52.5
248.06459	1.0
251.05344	1.0
253.04846	3.8
255.06378	4.1
257.04434	18.7
258.05191	2.1
259.06018	10.5
260.06589	1.2
261.07562	4.6
263.05283	1.1
265.04828	1.7
267.06577	1.8
269.04453	9.0
270.05225	0.9
271.05978	35.8
272.06311	1.0
273.07602	8.8
274.04724	1.7
275.05453	15.2
279.06683	1.2
281.04443	2.1
282.05148	0.7
283.06003	13.7
285.04001	1.6
285.07608	2.3
287.05453	20.2
289.07034	37.5
290.07547	0.7
291.08603	1.6
293.04553	1.3
295.05908	5.1
297.03943	2.1
297.07486	1.8
299.05444	9.6
301.07050	16.9
303.05109	1.8
307.05905	1.7
309.03888	2.1
309.07159	1.0
311.05554	4.4
313.07037	5.1
315.08820	0.9
317.06396	0.8
319.06171	0.9
321.07431	0.9
323.05438	2.8
325.06870	1.0
327.05035	1.3
329.06390	1.0
331.08398	3.4
333.03799	1.1
333.07620	1.0
335.05438	1.1
337.06863	0.9
341.06546	1.2
345.07498	1.2
349.07266	1.0
351.04941	2.2
361.07059	2.2
363.04840	1.2
363.09058	0.9
365.06430	2.2
367.08023	0.9
373.06955	0.9
377.06589	1.7
379.08133	5.5
381.09637	1.0
383.07626	2.4
389.06512	3.3
391.08109	6.6
393.05423	3.2
393.09863	2.0
395.07523	1.4
397.09036	1.9
401.06528	1.0
405.05722	4.0
407.02173	0.9
407.07587	20.2
409.09158	34.6
410.09348	1.2
411.10449	0.7
417.05795	1.0
419.07529	4.1
420.07922	0.8
421.09283	5.4
425.08673	9.4
427.10175	7.4
431.07639	2.3
433.09183	6.0
435.10681	1.8
437.08615	5.5
439.09964	1.7
443.09842	5.5
449.08826	3.5
451.10168	9.6
469.11624	0.8
517.11285	1.9
527.09595	4.6
529.11670	0.9
530.57513	0.7
535.12671	1.2
541.11176	1.1
543.12823	1.6
545.10742	4.3
553.11383	3.3
557.10638	2.2
559.12213	2.0
561.10651	2.4
563.11835	2.7
571.12390	3.5
577.13300	2.9
579.11407	5.4
603.11383	1.2
679.13837	1.7
697.12628	2.8
723.13110	1.9
731.15753	2.4
849.16602	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	1019.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03895	1.0
78.22890	0.5
79.01855	0.9
79.05484	2.0
81.03411	4.6
83.04971	1.0
85.02892	1.4
87.28602	0.4
89.03907	3.3
91.05453	1.3
91.77298	0.4
93.03379	1.0
93.61250	0.4
95.04969	3.6
97.02869	0.5
98.20701	0.9
99.04446	1.6
103.05459	1.7
105.03376	2.0
107.04939	6.3
109.02854	4.8
111.00787	9.5
111.04426	9.7
115.05441	1.4
117.03371	1.8
119.04937	1.4
121.02855	2.6
123.04411	94.5
124.04739	0.8
125.02362	0.8
127.03899	100.0
128.04269	0.9
129.06987	0.6
131.04906	3.5
133.02773	0.5
133.06404	0.5
135.04398	64.8
136.04671	0.5
137.02324	5.3
137.05894	1.0
139.03880	47.0
140.04311	0.6
141.06958	2.0
143.03374	0.9
143.04890	1.1
145.02832	1.2
145.06482	1.8
147.04384	8.7
149.02322	7.5
149.05966	2.3
151.03880	20.3
153.01808	11.5
153.02962	0.9
153.05434	0.6
153.06998	0.8
155.03607	0.6
155.04890	1.8
157.06448	1.3
159.04385	4.7
161.02303	1.3
161.05949	4.2
162.88887	0.5
163.03882	62.4
164.04259	0.7
165.01900	1.1
165.05428	4.5
167.03383	7.1
169.04936	2.4
169.06451	2.3
171.04366	0.8
173.02348	1.0
173.05957	6.2
175.03882	4.9
175.07581	0.7
176.04674	0.5
177.01945	0.6
177.05449	8.0
179.03371	9.2
181.04907	1.7
181.06503	1.6
183.04375	2.5
185.05904	2.5
187.03839	10.9
187.07526	0.9
189.01839	0.7
189.05450	5.5
190.02518	0.5
191.03372	12.6
191.06972	0.8
193.04967	2.5
197.05960	6.6
199.03780	0.6
199.07396	0.6
200.04668	0.6
201.05450	13.1
203.03368	14.9
203.06956	3.1
205.04933	4.1
207.02837	1.0
207.06482	0.6
211.03795	1.0
211.07494	0.7
213.05408	4.3
215.03412	3.9
215.06934	3.8
217.04907	3.4
217.08652	0.5
219.06383	1.2
221.04245	0.6
221.06110	0.6
223.02257	2.4
223.07419	0.5
225.05482	3.2
226.06258	0.4
227.03352	1.4
227.06978	1.5
229.04936	14.6
231.02872	1.1
231.06448	3.7
232.45088	0.4
233.04391	6.3
235.02351	1.0
237.05402	2.5
239.06879	0.8
241.04880	3.7
243.02817	1.0
243.06473	6.4
244.03575	0.7
245.04420	67.6
246.04707	0.9
247.05988	57.7
248.06441	0.6
251.05472	1.6
253.04927	3.3
255.02933	0.4
255.03809	0.5
255.06419	4.8
257.04419	17.6
258.05066	1.9
259.05966	10.8
261.07581	3.2
263.05447	1.9
265.04898	1.3
267.06403	1.1
269.04431	9.4
270.05154	0.8
271.05963	33.8
273.04514	0.8
273.07504	9.6
274.04718	2.3
275.05438	21.0
279.06458	1.9
281.04559	3.6
282.05118	0.9
283.05960	17.5
284.06570	0.7
285.03897	2.3
285.07504	2.1
286.04599	0.8
287.05447	27.9
288.05811	0.9
289.07031	31.7
290.07455	0.7
291.08582	1.5
293.04504	1.0
293.08087	0.5
295.05942	4.1
297.03806	2.7
297.07477	2.0
299.05453	7.9
301.07013	17.5
303.05075	2.3
303.08655	1.0
305.08066	0.6
307.05954	1.7
309.03830	2.5
309.07211	0.9
311.05505	3.8
313.06992	2.7
315.05106	0.9
315.08795	0.5
317.06503	1.1
319.05978	1.1
321.03900	1.0
321.07553	0.8
323.05600	3.9
325.07010	0.9
327.04962	0.8
329.06516	0.6
331.08047	1.3
333.07599	1.4
335.05435	0.7
337.06961	0.7
339.04831	0.7
339.08591	0.6
345.07446	0.9
347.05783	0.6
349.06949	1.0
351.04935	3.7
353.06226	0.8
361.06912	2.0
363.04581	1.0
363.08563	1.4
365.06409	2.2
367.08121	1.1
373.06995	0.6
375.04712	0.6
377.01462	0.6
377.06384	1.3
379.07974	4.1
383.07529	3.6
389.06531	2.9
391.08124	5.7
393.05405	3.6
393.09741	2.1
395.07584	1.7
396.08377	0.6
397.09210	6.6
401.06439	1.0
403.08112	1.2
405.05780	5.6
407.07568	25.3
409.09125	33.9
410.09406	0.5
411.10336	0.5
417.05792	1.3
419.07547	4.6
421.09106	5.7
425.03149	0.7
425.08609	9.7
427.10193	8.8
431.07471	1.3
433.09189	3.2
435.10675	1.7
437.08597	8.1
439.10107	1.9
443.09744	5.7
449.08527	3.2
451.10199	4.4
455.09683	0.7
509.08142	0.5
517.11395	2.5
527.09875	4.9
529.11133	0.7
535.11920	1.6
539.09283	1.3
541.10950	2.1
543.12964	1.3
545.11053	3.1
553.10620	1.3
557.10345	2.1
559.12152	1.4
561.10004	1.5
563.11798	3.3
571.12134	2.2
577.12683	1.4
579.10901	4.4
587.11145	0.7
589.11957	0.5
603.10614	1.3
661.12866	1.1
679.13849	1.9
697.11902	3.8
723.12781	0.7
731.15277	1.9
831.14355	1.2
849.15955	4.1
851.18347	0.5
867.16412	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5946
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01347	1.6
71.04980	6.7
71.42662	2.6
73.02905	3.8
73.93742	1.0
77.03915	2.6
79.05491	69.4
81.03416	20.2
81.07053	100.0
83.04982	16.5
83.08614	21.2
83.77265	1.0
85.02910	12.2
85.06552	5.5
85.72354	1.1
91.03961	2.9
91.05476	67.9
93.07037	77.2
95.04970	24.2
95.08600	45.2
95.15263	1.2
97.02883	10.4
97.06528	23.6
97.10153	14.2
99.04465	2.9
99.08089	5.2
102.68827	1.2
103.05461	2.8
105.07030	60.0
107.04958	12.3
107.08590	56.4
109.02856	3.7
109.06518	11.2
109.10162	17.5
111.04440	2.1
111.08051	7.9
113.09663	2.8
115.05445	2.9
117.06207	2.1
117.07008	28.2
119.04952	1.3
119.08572	37.7
121.06498	8.3
121.09310	1.9
121.10145	26.3
123.04454	1.9
123.08091	7.2
123.11714	7.7
125.05952	1.2
125.09623	10.8
127.03933	6.8
128.06207	3.2
129.05470	2.7
129.06981	12.3
131.04953	1.9
131.08571	33.9
133.06485	2.9
133.10129	34.8
135.08072	7.3
135.11690	24.8
137.09599	4.9
139.03946	1.7
139.11168	2.4
141.07016	2.5
142.07785	2.9
143.08554	12.6
145.06467	3.5
145.10114	32.1
147.08038	4.2
147.10509	1.6
147.11681	22.4
149.09610	18.5
149.13261	23.8
151.11166	5.5
153.07042	1.4
153.09056	1.6
155.08519	6.9
157.10120	9.7
159.08083	2.7
159.11684	23.2
161.09633	2.4
161.13269	7.5
163.11172	15.9
163.14857	1.5
165.12766	3.7
167.08543	1.6
167.14261	1.4
169.10127	7.6
171.10332	2.1
171.11670	9.5
173.04465	7.0
173.09569	1.5
173.13258	8.6
175.11143	3.1
175.14767	1.8
177.12753	9.0
179.14273	5.2
181.10147	2.2
181.12207	2.4
183.11679	4.9
185.13274	4.2
187.11171	3.7
187.14778	2.7
189.11197	5.9
189.12741	2.8
191.14279	1.7
193.12129	1.5
195.11876	2.6
195.13792	11.8
197.13268	5.0
199.14853	2.6
201.12640	1.5
209.13297	1.8
211.14861	1.6
213.16484	1.8
215.14354	1.5
217.15933	1.7
227.12726	15.5
229.14374	3.8
229.19514	4.0
233.15440	2.1
235.16948	1.5
239.17889	7.1
247.20552	3.6
251.16440	3.2
253.14249	1.8
253.17973	2.2
255.15884	14.8
257.18991	12.9
259.20615	2.6
267.15860	6.7
269.17450	64.3
273.18631	2.3
275.20056	64.0
293.21063	10.2
299.19992	1.4
299.23773	1.2
313.21561	1.7
321.24377	2.2
331.22665	5.8
349.23694	62.1
365.23309	2.0
367.24854	16.0
401.23337	1.4
413.21582	4.2
423.27368	2.9
423.32605	1.7
431.27737	3.5
433.30823	3.4
435.27502	3.2
439.26776	2.8
445.29358	4.4
449.28979	32.6
451.31900	1.9
463.30548	51.5
469.33298	2.8
487.33179	1.2
503.33472	5.1
507.34164	1.4
511.34235	2.0
515.37567	2.4
519.32971	2.1
525.35773	11.5
527.37689	1.3
529.35376	12.9
543.36804	85.1
544.37213	1.4
547.36322	3.9
559.35852	1.4
561.37866	13.2
583.30896	1.9
589.33057	1.6
593.32690	1.7
605.41681	2.9
607.34845	7.6
623.42920	18.2
641.44122	15.1
659.44556	4.4
687.40881	2.9
754.89740	1.3
767.46149	1.7
1019.50311	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	1018.5945
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01350	1.4
71.04997	7.1
71.05305	1.1
73.02917	2.7
77.03928	1.8
79.05488	82.8
81.03413	18.7
81.07052	100.0
82.71186	1.3
83.04978	16.0
83.08607	20.6
85.02905	12.9
85.06554	6.2
91.03936	2.8
91.04887	2.1
91.05473	73.8
93.07037	82.6
95.04967	22.3
95.08600	46.7
97.02888	10.7
97.06522	24.0
97.10163	18.2
99.04416	2.7
99.08061	2.9
101.02361	1.4
103.05473	2.9
105.04504	2.0
105.07024	60.3
107.04953	18.5
107.08585	54.5
109.02865	4.2
109.06509	11.2
109.10152	20.5
111.04427	2.2
111.08079	10.4
113.09667	2.6
115.05442	3.8
117.07012	28.8
119.08573	41.7
121.06515	8.0
121.10134	23.3
123.08060	7.7
123.11678	7.5
125.05953	1.6
125.09633	12.9
127.03905	6.3
128.06212	2.9
129.05531	1.6
129.07002	11.5
130.07745	2.8
130.65617	1.3
131.08551	33.0
133.06479	3.1
133.10126	35.4
135.08043	7.8
135.11676	26.8
137.09589	5.9
139.11191	1.9
141.06972	5.9
142.07756	4.2
143.08548	12.2
144.09340	2.2
145.04968	2.2
145.06461	3.4
145.09024	2.1
145.10115	29.6
147.08060	4.3
147.11674	19.2
147.12759	1.5
149.09608	22.8
149.13243	15.8
151.11163	4.0
155.08536	5.6
157.10149	9.0
159.08049	3.3
159.11671	26.6
161.09605	3.0
161.13255	7.7
163.07631	1.3
163.11162	15.5
165.12798	2.5
167.08498	2.9
169.10110	8.5
171.08038	1.8
171.10320	2.3
171.11636	9.2
173.04462	4.4
173.09654	3.1
173.11841	2.0
173.13216	12.0
175.11116	3.7
175.14897	2.6
177.12735	7.4
179.14308	4.2
180.09142	1.4
181.10123	2.8
181.12228	3.3
183.11664	6.6
185.13249	4.0
187.11151	3.0
187.14868	2.5
189.11186	5.4
189.12798	3.1
193.12204	2.7
195.11699	3.0
195.13777	5.0
197.13211	4.1
199.11217	1.4
199.14816	3.1
205.12230	1.4
209.13365	1.6
211.14821	2.8
213.12868	2.3
215.14334	2.1
215.17990	1.7
219.13808	1.9
223.13182	2.2
227.12741	15.0
227.18071	1.7
229.14313	3.8
229.19513	3.7
233.15349	2.1
235.16969	1.4
239.17987	6.7
245.13919	1.8
247.20546	4.7
251.16394	1.3
253.14330	1.7
253.17899	2.2
255.15878	15.3
257.18948	13.0
259.20483	1.5
267.15881	4.9
269.17456	51.6
275.20050	69.9
276.20624	1.7
277.21741	1.3
285.14429	1.7
291.19516	2.3
293.17792	1.5
293.21130	7.3
303.16132	2.0
309.20703	1.5
331.22583	5.7
349.23709	63.5
365.23297	2.6
367.24802	9.6
383.22168	1.9
395.20657	1.8
409.25977	3.0
413.21533	3.0
419.23746	1.4
423.27393	4.0
425.25494	1.6
431.28043	2.4
433.30643	3.9
435.27368	3.4
439.26822	4.0
445.29358	5.5
447.30814	2.0
449.28964	26.1
451.32196	1.5
463.30518	34.9
469.32971	2.3
503.33502	4.5
509.97110	1.5
511.34174	2.9
515.37158	2.6
518.24329	1.7
519.33270	3.6
525.35651	7.1
527.37225	2.2
529.35266	18.1
543.36792	70.5
547.36328	3.5
559.14282	1.6
561.37970	13.3
583.39233	1.7
589.33777	1.5
605.42053	2.6
607.34467	3.6
623.42987	21.5
641.44067	11.4
659.45038	1.5
669.39691	1.6
673.82782	1.4
687.40485	4.2
705.41748	3.0
970.54132	1.6
1014.55817	1.5
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
77.03919	1.2
79.05490	41.0
81.03410	10.3
81.07055	43.0
83.04975	7.6
83.08132	0.9
83.08612	13.1
85.02895	4.9
85.06537	2.7
91.03935	1.8
91.05476	38.0
93.07040	33.7
95.01289	0.8
95.04966	16.0
95.08601	20.0
97.02885	12.6
97.06532	10.5
97.10165	16.6
98.21452	1.3
99.04470	0.8
99.08083	1.5
103.05437	1.9
105.04458	1.3
105.07025	32.1
107.04945	12.7
107.07847	1.4
107.08588	28.2
108.05762	0.7
109.02863	2.0
109.06522	6.9
109.10145	12.1
111.04430	1.4
111.08073	3.8
113.05990	1.4
113.09625	0.8
115.05452	2.4
116.30544	0.7
117.07012	16.0
119.04944	1.8
119.08577	21.0
120.05676	1.3
121.06498	5.6
121.10136	11.9
123.04395	1.5
123.08057	6.2
123.11703	2.5
125.09615	11.1
127.03919	2.4
128.06194	2.0
129.05484	1.2
129.06990	5.9
130.07782	2.1
131.08562	17.0
133.06485	4.4
133.10123	17.6
134.07274	1.7
135.08058	6.6
135.11688	9.7
137.09586	3.6
139.03877	1.6
141.07001	2.2
142.07828	1.2
143.08554	7.0
144.09283	1.1
145.06468	1.8
145.10129	15.6
147.08040	7.5
147.11664	9.8
149.09637	7.3
149.13263	5.9
151.11177	1.4
153.09128	2.0
155.08566	2.2
156.09299	1.0
157.06599	0.8
157.10121	5.8
159.08018	2.0
159.11687	11.0
161.09618	4.3
161.13220	3.2
162.10263	0.7
163.11182	7.4
163.14746	0.8
165.09073	1.5
165.12743	0.8
169.10114	3.3
169.12289	0.9
171.08055	0.8
171.10268	1.5
171.11685	3.1
173.04471	1.6
173.09587	1.1
173.11850	1.0
173.13232	3.3
175.11174	3.8
175.14862	1.0
177.12703	4.3
179.14342	1.4
181.10188	0.8
181.12184	0.8
183.11678	1.5
185.13264	1.8
187.11177	1.9
187.14766	1.6
189.11189	6.6
189.12682	1.3
193.12274	2.5
195.11682	1.4
195.13847	2.6
197.13283	1.5
199.11185	1.1
199.14781	1.2
203.14476	0.9
205.12213	2.0
211.14929	0.8
215.18163	0.8
223.13286	16.3
227.12755	15.5
227.14861	1.1
227.17892	1.0
229.14218	1.0
229.19412	1.1
233.15376	1.6
239.17957	2.0
245.19046	1.6
247.20590	1.1
249.14880	2.7
251.16409	1.2
253.14375	2.0
255.15669	3.5
257.18930	5.8
259.20532	1.0
267.15918	2.9
269.17474	13.1
273.14172	0.8
273.15164	0.8
273.18463	15.6
275.20065	20.8
291.19525	100.0
292.19757	2.3
293.17841	0.9
293.20932	1.7
331.22635	2.0
333.24332	1.3
347.22113	4.2
349.19720	1.4
349.23724	20.9
365.23215	42.2
366.23837	1.2
367.24731	2.1
381.22562	1.5
413.22018	1.3
461.28665	2.1
479.30215	1.1
493.28668	0.8
519.33105	2.9
535.32385	2.5
541.35571	4.6
543.36798	1.7
545.34705	16.2
559.36298	54.3
560.36340	2.2
581.37408	0.8
621.41565	3.5
635.32178	0.8
639.42548	41.8
640.42657	2.7
657.43707	5.7
679.36633	0.9
703.40167	2.2
734.69672	0.9
770.39368	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1016.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04960	3.1
71.59893	1.1
71.60320	1.8
73.02921	1.2
76.28012	0.9
79.05484	40.6
81.03409	11.9
81.07049	51.8
83.04977	8.1
83.08608	11.6
85.02893	4.5
85.06511	2.2
91.03918	1.1
91.04889	1.4
91.05470	37.6
93.07034	38.0
95.04961	13.8
95.08601	22.1
97.02874	9.7
97.06526	11.1
97.10156	13.7
99.04477	1.2
99.08085	2.8
105.07018	28.8
107.04934	10.9
107.08580	29.9
109.02875	1.9
109.06527	6.5
109.10142	15.1
111.04411	2.0
111.08077	4.5
113.09627	1.0
115.05447	1.7
115.23972	1.0
117.07010	16.1
119.08569	21.9
121.06494	6.6
121.10135	12.3
123.04446	1.2
123.08112	4.7
123.11681	3.8
125.09591	8.7
127.03949	1.4
128.06186	3.1
129.05495	1.7
129.06985	5.0
131.04924	1.1
131.08554	15.9
133.06490	3.8
133.10110	20.4
135.08022	7.2
135.11676	9.5
137.09590	3.4
139.11183	1.1
141.06999	1.7
142.07791	1.7
143.08557	7.1
145.06462	1.9
145.10098	13.8
147.08020	7.1
147.11682	8.8
149.09579	8.3
149.13263	8.3
151.11177	4.0
152.69292	1.2
153.09151	1.0
155.08531	1.6
157.10114	5.3
159.08054	1.5
159.11678	8.1
161.09636	3.8
161.13220	2.0
163.11206	4.4
165.09131	2.7
165.12761	1.7
169.10077	1.7
171.10326	1.2
171.11679	4.4
173.04446	2.9
173.09653	1.6
173.13258	2.8
175.11189	3.0
177.12776	3.7
179.10664	1.6
181.10179	1.2
183.11633	1.5
185.09712	1.1
185.13268	1.2
187.11238	1.3
189.11205	4.3
189.12697	1.6
191.14380	1.1
193.12323	1.6
195.11714	1.0
195.13760	4.3
197.13286	1.3
199.14909	1.2
203.14175	1.2
205.12231	2.1
211.13129	1.4
217.15814	0.9
223.13278	17.5
227.12737	11.0
231.13936	1.1
233.15356	1.5
239.17860	1.4
245.19084	1.7
247.20618	1.8
249.14873	2.7
253.14325	6.7
255.15718	5.4
257.18958	3.3
263.19934	1.2
267.15939	2.7
269.17453	24.8
273.18430	18.2
275.20035	17.1
291.19513	100.0
292.19760	1.8
293.21051	1.1
297.22198	1.2
309.20618	1.8
347.22086	3.5
349.23663	13.9
365.23196	47.1
367.24756	2.7
413.21811	1.4
447.27386	1.8
461.29144	2.3
509.31772	1.0
519.32867	1.8
541.35083	5.8
543.25238	1.0
545.34674	20.3
559.36255	90.0
560.36615	1.4
621.41223	3.8
639.42401	26.5
657.43744	6.4
703.40186	5.0
1017.49396	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52946	1.9
77.03922	1.5
79.05491	1.7
81.03407	5.0
83.04966	1.0
85.02896	1.7
88.53085	0.6
89.03915	2.8
91.05477	7.4
93.03412	0.7
95.01319	0.8
95.04964	3.6
98.20853	0.6
99.04436	1.1
103.05457	1.3
105.03384	2.2
107.04957	6.9
109.02883	4.4
111.00803	8.7
111.04430	11.7
115.05447	1.8
116.39201	0.6
117.03352	1.6
117.06993	0.7
119.04935	11.0
121.02847	2.0
123.04420	100.0
126.10324	0.7
127.03907	79.8
128.04269	0.9
129.86002	0.6
131.04901	3.7
133.06490	1.0
135.04407	63.0
136.04663	0.7
137.02345	5.4
137.05948	1.6
139.03893	50.4
141.06935	1.1
143.04950	1.9
145.02843	1.1
145.06494	1.1
147.04402	37.3
149.02345	8.8
149.05989	3.4
151.03889	18.7
153.01816	1.8
153.07071	0.8
155.04903	1.9
157.06454	1.5
159.04434	4.6
161.02361	1.2
161.05984	4.9
163.03894	61.0
164.04280	0.8
165.01854	1.2
165.05458	3.1
167.03404	5.7
169.04955	3.1
169.06453	2.4
171.04391	1.0
173.05946	5.4
175.03917	3.9
175.07544	1.2
176.04688	0.8
177.05441	8.3
179.03418	8.6
181.04970	1.7
181.06496	2.3
183.04445	3.3
185.06001	2.5
187.03876	8.8
187.07681	0.9
189.05444	4.8
190.02538	0.7
191.03369	9.8
191.06989	0.9
193.04840	3.2
197.05975	4.8
199.03912	0.8
200.04831	0.7
201.05463	10.7
201.07198	1.2
203.03380	14.1
203.07022	2.1
205.04971	3.2
207.02843	1.4
209.06015	0.9
213.05463	4.2
215.03433	3.9
215.06964	3.3
217.04912	2.1
219.06512	1.7
221.06046	0.9
223.02428	1.5
225.05489	3.0
229.04939	15.5
231.02966	1.7
231.06483	3.4
233.04395	4.2
237.05490	2.2
239.07050	1.5
241.04916	2.5
243.02957	1.0
243.06500	5.4
244.03751	0.9
245.04445	79.8
246.04753	1.2
247.06000	59.7
253.04857	3.1
255.06516	4.1
257.04462	14.6
258.05356	1.3
259.05951	7.5
261.07559	4.4
263.05511	1.9
265.04916	2.0
267.06586	1.4
269.04410	8.3
271.05991	33.0
273.04565	1.3
273.07541	13.2
274.04639	3.9
275.05441	20.7
279.06409	1.6
281.04425	2.7
282.04865	1.2
283.05975	15.3
285.03970	3.1
285.07599	1.9
286.04700	1.1
287.02176	0.9
287.05472	26.3
289.07062	29.2
291.06128	0.8
293.04459	1.5
295.06006	3.2
297.03925	2.8
297.07312	1.0
299.05524	7.7
301.07040	12.7
303.05203	1.9
307.06030	2.9
309.04056	1.8
309.07547	0.9
311.05505	2.5
311.09033	0.9
313.07065	3.0
317.06863	0.7
321.07617	1.0
323.05603	2.9
329.06381	1.0
331.08087	1.6
333.07455	1.6
335.05499	0.9
345.07324	0.8
347.05792	0.9
349.07031	1.3
351.05011	2.5
361.07007	2.3
363.08606	1.4
365.06555	2.6
367.08212	0.9
373.06726	1.0
377.06583	1.8
379.08206	3.7
383.07663	2.9
389.06506	3.6
391.08069	4.9
393.05841	2.3
393.10364	3.4
395.07449	1.5
397.09253	7.1
401.06250	1.1
403.08017	1.7
405.05948	3.9
407.07593	27.3
409.09177	31.6
417.05731	0.9
419.07556	4.9
421.09036	3.4
423.07004	0.9
425.08719	7.9
427.10257	8.2
431.07513	1.1
433.09137	3.6
437.08246	9.2
439.10263	1.8
449.08521	3.5
451.10199	4.8
517.11255	2.1
527.09436	4.4
529.11835	0.9
535.12408	1.4
541.11237	2.7
543.12823	1.2
545.10730	3.0
553.10834	0.9
555.12756	1.7
557.12421	1.4
561.13898	1.6
571.12341	2.1
573.13763	2.4
577.13263	2.1
579.14722	0.7
661.13782	0.9
679.14355	2.7
691.14136	2.4
697.15234	0.8
725.18353	1.2
843.18469	4.1
861.19470	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1013.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01217	3.0
72.53363	0.6
72.82000	0.6
77.03940	1.6
79.05487	1.8
81.03416	4.0
83.04988	1.1
85.02889	1.8
89.03916	3.5
91.05476	5.6
93.03399	0.9
93.70851	0.7
95.04955	3.6
98.20844	0.9
99.04456	1.0
99.16811	0.5
103.05449	1.8
105.03382	2.0
105.07007	0.9
107.04950	7.4
109.02849	3.2
109.12370	0.6
111.00790	9.1
111.04440	12.1
115.05452	1.9
117.03370	1.8
119.04930	10.0
121.02883	2.3
123.04422	100.0
124.04771	1.1
127.03911	75.4
129.07018	0.8
131.04950	3.6
133.06464	1.0
135.04410	68.8
137.02322	5.0
137.05963	1.8
139.03896	53.6
141.06990	1.4
143.04877	1.1
145.02852	0.9
145.06445	1.3
147.04405	41.3
148.04739	0.7
149.02350	8.1
149.05952	3.1
151.03896	19.9
153.01802	0.8
153.05437	0.9
155.04916	2.2
157.06519	1.2
159.04434	4.5
161.02345	1.3
161.05984	3.9
163.03900	62.0
164.04535	0.9
165.01854	0.9
165.05492	2.5
167.03404	4.0
169.04919	2.4
169.06479	2.7
173.02324	0.8
173.05945	5.5
175.03873	4.7
175.07591	1.3
177.05464	8.0
179.03375	8.6
181.04993	1.2
181.06485	1.2
183.04379	1.9
185.05904	1.8
187.03868	9.5
187.07466	0.9
189.05452	6.5
191.03363	10.8
193.04950	2.2
197.05925	5.1
201.05446	9.4
203.03404	15.1
203.07045	2.0
205.04971	3.7
207.02879	0.8
209.06079	0.8
211.03918	1.1
213.05400	3.1
215.03510	4.1
215.07030	4.1
217.04913	2.9
219.06459	1.1
221.04297	0.9
223.02362	2.0
225.05470	2.3
226.06207	0.7
227.03545	1.0
227.07297	0.8
229.04965	13.2
230.05424	0.6
231.02922	0.8
231.06488	3.8
233.04466	5.9
235.02438	0.8
237.05473	1.9
239.06984	0.8
241.04965	2.3
243.02898	1.1
243.06506	5.9
244.03682	0.8
245.04446	81.2
246.04674	0.7
247.06015	63.5
253.04912	3.4
255.06487	4.9
257.04443	16.0
258.05270	1.7
259.05988	9.0
261.07541	3.8
263.05490	2.5
265.04922	2.1
267.02618	0.8
267.06519	1.3
268.03259	0.6
269.04446	7.4
270.05182	0.7
271.06000	33.5
272.06677	0.7
273.04105	0.9
273.07553	11.9
274.04764	4.3
275.05453	23.5
276.05835	0.8
279.06519	1.2
281.04419	2.9
282.05075	0.7
283.05969	15.8
285.03946	2.8
285.07520	2.1
286.04584	1.9
287.02182	0.9
287.05463	26.2
289.07056	32.5
293.04364	1.1
295.05984	3.4
297.03952	2.7
297.07593	2.4
299.05466	7.0
301.07031	14.8
303.04889	1.4
307.05933	1.9
309.03925	2.2
311.05634	3.3
313.06909	2.0
315.04999	1.1
317.07245	0.8
321.04062	0.9
321.07516	0.9
323.05545	2.6
329.06500	0.7
331.08139	2.0
333.07452	1.0
345.07541	0.9
347.05270	0.9
349.07010	1.3
350.25079	0.8
351.05038	3.2
361.07111	2.3
363.04758	0.9
363.08768	1.3
365.06494	1.5
373.07031	1.0
377.06616	1.6
379.08148	3.3
383.07620	3.1
387.08630	0.8
389.06522	2.6
391.08017	5.9
393.05164	3.2
393.10532	3.3
395.07544	2.5
396.08417	0.9
397.09210	10.0
403.07898	0.9
404.03766	0.7
405.05887	3.9
407.07614	33.4
409.09186	34.2
417.05576	0.9
419.07535	4.6
421.09384	4.6
425.08575	10.5
427.10251	10.0
431.07553	1.4
433.09174	3.8
435.11011	1.6
437.08249	10.7
439.10236	1.8
449.08621	3.7
451.10199	4.5
517.11279	3.4
527.09650	4.8
535.11920	2.2
539.09698	0.9
541.11145	2.8
543.12427	1.5
545.10608	4.3
553.10565	1.7
555.12732	1.8
557.13428	0.9
559.12115	1.2
561.13831	1.4
571.12067	1.8
573.13861	1.9
577.13220	2.1
579.14612	1.0
661.12842	1.1
679.13928	2.4
691.14215	2.9
697.15094	1.0
725.19159	1.1
825.17224	1.0
843.19122	3.5
861.19434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08667	2.2
56.05035	11.7
56.53510	2.0
56.96556	6.9
58.96150	3.6
59.06120	27.1
59.96197	2.5
60.04519	6.5
60.95855	5.4
61.92849	2.3
71.17930	3.9
71.18273	2.9
74.06068	2.2
83.01509	4.1
83.06097	2.8
84.04519	2.4
85.61076	2.0
94.45657	2.2
100.02470	3.4
101.00883	9.9
101.02547	32.2
101.07140	8.1
102.02244	11.5
119.01917	100.0
119.03617	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	1007.5542
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01332	0.5
73.02908	2.0
74.70624	0.4
76.94138	0.4
79.05495	2.1
81.03416	1.2
81.07034	1.9
83.05021	0.4
83.08638	0.4
85.02902	4.0
91.03944	1.9
91.05476	2.0
93.07037	2.5
95.04977	0.5
95.08604	1.1
97.02885	3.7
97.06516	0.4
97.10185	0.5
98.20725	1.0
99.04433	0.5
101.02391	1.3
105.07045	1.2
107.08610	1.1
109.10161	0.5
116.95039	0.3
117.07021	0.7
118.17989	0.4
119.08608	1.3
121.10143	0.9
124.55978	0.4
127.03925	0.6
131.08597	1.1
133.10114	0.8
135.11725	0.6
143.08531	0.6
145.04857	0.4
145.10133	0.4
147.11703	0.7
184.35893	0.4
201.03741	0.8
203.05342	0.5
243.08418	1.9
253.12959	0.5
259.20624	0.6
263.34906	0.5
286.05405	0.4
301.09003	0.8
313.09210	0.4
333.20346	1.6
347.09445	3.1
363.09052	1.5
365.10547	0.8
373.23553	0.4
389.22998	0.6
405.13647	5.6
439.19678	0.5
453.20932	0.6
463.14401	0.9
465.20813	0.5
477.15869	0.5
493.15176	0.5
535.28650	3.1
538.87952	0.5
551.27869	2.7
601.27063	0.5
643.13855	0.4
697.33710	4.2
713.33966	3.6
785.35211	0.9
845.50385	0.6
909.47217	0.5
1007.55432	100.0
1008.54877	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	1002.5991
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04983	3.8
72.08154	5.7
72.10699	2.7
73.02909	5.2
79.05490	77.8
81.03413	10.5
81.07053	100.0
83.04975	12.3
83.08624	22.1
85.02904	19.1
85.06519	3.4
91.03947	6.9
91.05477	76.3
93.07039	85.4
95.04969	22.4
95.08598	62.1
95.09042	1.6
97.02891	12.8
97.06532	11.6
97.10173	11.6
99.04456	3.4
105.07028	66.0
107.04951	10.0
107.08585	44.1
109.06512	8.1
109.10146	30.8
111.04455	7.6
111.08076	7.6
115.05442	4.4
115.29620	2.1
117.07004	30.2
117.93394	2.1
119.08576	57.6
121.06489	5.4
121.10136	29.1
123.08067	11.2
123.11710	5.5
124.98653	2.0
125.09605	11.7
127.03882	5.2
128.06201	5.2
129.05479	2.6
129.06984	21.8
130.07799	4.9
131.08568	46.2
133.06500	5.4
133.10139	40.4
135.08072	6.1
135.11693	16.9
137.09602	5.2
139.11189	4.0
141.07025	8.6
142.07765	4.7
142.98569	2.1
143.08572	21.5
145.04948	3.2
145.10110	33.5
147.08003	3.8
147.11674	24.2
149.09633	10.0
149.13277	13.4
151.11185	2.7
153.12793	3.6
155.08557	10.4
157.10139	16.2
159.08073	2.7
159.11685	30.2
161.09593	6.1
161.13220	13.1
163.11160	10.2
163.14859	2.6
165.06952	3.7
165.09116	2.7
167.08585	4.1
168.09288	2.4
169.10182	13.7
171.11681	20.0
173.09612	4.8
173.11978	2.7
173.13229	13.4
175.14720	4.3
177.12738	3.4
179.77419	2.0
181.10107	7.2
183.11671	14.1
185.13226	13.7
187.14841	5.2
189.11198	10.1
193.10120	3.7
193.12202	3.5
195.11687	10.0
197.13243	9.6
199.14857	5.7
201.16312	3.1
207.11754	3.5
209.13330	5.3
211.14801	4.8
213.12827	2.5
213.16396	4.6
223.14943	3.1
227.12764	8.7
227.17986	5.2
229.64842	2.9
239.17886	4.4
241.19534	10.1
245.18907	3.2
249.14290	2.8
255.17455	3.7
257.18884	5.8
259.20578	18.8
261.22192	3.6
269.17358	5.3
273.18594	14.8
275.20044	5.7
291.19556	29.9
309.20551	3.3
313.21915	2.5
315.23328	2.9
333.24374	16.8
335.25818	66.3
347.22217	3.0
349.24014	3.1
365.23175	16.4
383.24295	10.2
435.32504	2.7
487.34607	3.1
513.35614	8.2
515.36957	3.2
517.40198	7.4
527.37378	17.6
535.41748	2.7
543.36151	3.3
607.43829	11.8
609.45050	43.6
625.44519	41.0
643.45563	30.5
687.22980	2.5
892.90204	2.5
957.82990	2.7
1002.49060	3.1
1003.51898	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	1002.599
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04338	9.2
71.04985	10.7
73.02920	4.1
74.69330	2.5
75.29185	2.3
79.05491	87.6
79.05959	5.2
81.03406	12.7
81.07048	100.0
83.04976	11.4
83.08606	21.1
85.02895	15.5
85.06557	4.3
91.03957	3.5
91.05473	99.0
93.07039	93.0
95.04954	25.3
95.08598	60.5
96.27828	2.5
97.02882	12.4
97.06549	14.7
97.10164	12.4
98.20820	3.0
98.64845	2.4
99.04469	4.1
99.08118	3.0
103.05468	3.9
105.07022	88.1
107.04952	8.3
107.08590	62.3
109.06518	6.3
109.10150	30.2
111.08102	7.2
115.05479	6.0
117.07011	41.5
117.68523	2.4
119.08569	74.1
121.06483	5.4
121.10132	30.8
123.08097	4.5
123.11702	6.7
125.09636	11.0
127.03905	5.1
128.06259	6.8
129.05453	3.0
129.06995	24.0
130.07732	3.2
131.08578	57.2
133.06534	3.9
133.10120	59.6
135.08058	8.8
135.11681	25.3
137.09607	5.4
139.11259	3.1
141.06958	7.1
142.07803	5.2
143.08556	31.8
144.09363	3.7
145.06476	4.0
145.10106	45.3
147.08043	4.1
147.11679	49.0
149.09631	12.2
149.13271	15.0
151.11238	5.0
155.08545	13.6
157.10121	22.7
159.11671	37.4
161.09618	4.1
161.13239	23.6
163.11237	6.2
165.12796	3.1
166.07954	2.8
167.08592	8.0
167.81830	2.7
169.10112	16.0
171.11667	31.4
173.04520	6.2
173.11993	3.4
173.13242	18.8
175.14868	8.3
177.12790	6.8
181.10158	11.0
183.11682	15.6
185.13248	17.1
187.14835	6.5
189.11174	5.5
189.12726	4.8
193.10263	2.9
195.11684	6.7
195.13766	4.4
197.13290	10.3
199.14841	10.6
201.16325	3.1
209.13235	7.8
211.14828	7.4
213.12869	3.0
213.16380	5.1
215.14339	4.2
219.11862	3.3
221.13179	3.9
223.14825	5.1
223.89955	2.4
225.16408	3.5
229.14343	3.5
229.19487	2.7
231.21042	4.2
235.06419	2.8
235.14786	3.6
241.19458	16.0
255.15973	8.2
257.18991	9.6
259.20575	52.3
269.17404	15.0
271.20572	3.1
275.20026	20.2
315.23218	9.4
333.24265	55.9
335.25748	8.0
339.23120	3.1
347.21811	2.6
349.23691	13.9
367.25281	3.0
421.31042	3.5
435.32373	6.5
495.34741	3.8
509.35782	5.8
513.35504	25.4
515.37708	5.2
527.37286	67.9
533.39709	7.2
545.37952	8.1
607.43695	47.2
625.44464	48.9
689.42603	4.8
769.48450	6.2
837.68878	3.2
1002.45068	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	1000.5834
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04993	7.3
79.05492	73.3
81.03432	8.5
81.07055	86.1
83.04979	16.4
83.08619	10.9
85.02909	7.2
85.06551	3.2
89.01475	2.5
91.05481	100.0
93.07043	77.5
95.04948	14.4
95.08603	42.2
97.02890	3.1
97.06535	6.5
97.10172	5.5
98.21442	6.0
99.08110	5.3
105.07027	85.8
107.04973	10.3
107.08590	56.7
109.06516	13.9
109.10147	45.1
109.10825	4.3
111.08088	6.0
115.05456	5.9
117.07014	25.5
119.08575	55.3
121.06520	9.6
121.10147	21.3
123.08073	9.3
123.11690	8.1
125.09647	4.9
128.06209	3.4
129.07005	12.9
131.08563	38.6
133.06537	8.5
133.10120	82.0
133.11076	5.2
135.08038	11.6
135.11694	18.3
137.09644	3.8
143.08575	12.6
145.10100	22.1
146.48552	2.5
147.08034	5.9
147.11678	26.1
149.09616	6.8
149.13301	9.2
151.11176	29.4
155.08548	7.8
157.10121	18.0
159.08089	6.8
159.11713	25.9
161.09615	11.3
161.13266	20.2
163.11185	6.1
163.14758	3.6
165.12701	4.0
169.10161	7.2
171.11690	11.4
173.09612	4.5
173.13278	11.7
175.11217	5.6
175.14873	9.4
179.14417	3.3
183.11691	6.8
185.13263	13.3
187.14780	3.2
195.11752	4.9
197.13264	3.4
199.14775	7.2
209.13322	3.5
213.16383	4.6
215.12744	3.0
227.17867	3.4
241.19585	21.4
245.19022	3.7
253.14299	66.1
257.19043	6.9
259.20569	62.6
261.22067	3.7
263.20132	5.2
273.18491	17.0
275.20007	4.8
289.18091	6.3
291.19608	18.6
315.23175	10.7
333.24237	50.8
335.25882	20.4
347.22296	5.5
353.28592	3.7
363.21625	7.8
365.23215	38.6
378.18304	3.2
419.29370	4.7
437.30359	5.1
438.76431	3.3
455.31277	4.6
501.35519	5.5
511.34274	25.8
511.41196	5.0
513.36920	5.6
529.35132	26.5
531.38593	9.9
538.09387	3.1
543.36554	5.7
549.39069	8.4
595.43030	5.5
605.41376	14.0
623.43024	86.4
641.44098	22.2
655.41809	3.3
733.51624	3.2
END